*HEADER    BIOSYNTHETIC PROTEIN                    08-MAR-09   2KGC              
*TITLE     NMR SOLUTION STRUCTURES OF OCTANOYL ACP (A NON-NATURAL                
*TITLE    2 INTERMEDIATE) FROM THE ACTINORHODIN POLYKETIDE SYNTHASE IN           
*TITLE    3 STREPTOMYCES COELICOLOR                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER              
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 STRAIN: A3(2);                                                       
*SOURCE   5 GENE: SCO5089, SCBAC28G1.15;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET11C                                     
*KEYWDS    ACP, POLYKETIDE, FATTY ACID, OCTANOYL, ANTIBIOTIC                     
*KEYWDS   2 BIOSYNTHESIS, PHOSPHOPANTETHEINE, BIOSYNTHETIC PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, C.WILLIAMS                                      
*REVDAT   1   14-APR-09 2KGC    0                                                


 ASSI {    2}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.600     1.600     1.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.17858E-02 ppm1      0.551 ppm2      4.588 CV     1
 ASSI {    3}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.000     1.100     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.14202E-02 ppm1      0.598 ppm2      2.630 CV     1
 ASSI {    4}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.91077E-03 ppm1      0.551 ppm2      2.625 CV     1
 ASSI {    6}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      4.100     2.100     1.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.88011E-03 ppm1      0.553 ppm2      3.000 CV     1
 ASSI {    7}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.800     1.000     1.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      3.252 ppm2      2.029 CV     1
 OR {    7}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {    8}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.36327E-02 ppm1      3.224 ppm2      1.434 CV     1
 OR {    8}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {    9}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.25681E-02 ppm1      3.235 ppm2      1.295 CV     1
 OR {    9}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI {   12}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.12779E-01 ppm1      1.655 ppm2      4.338 CV     1
 ASSI {   16}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.200     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.13730E-01 ppm1      1.630 ppm2      4.457 CV     1
 ASSI {   18}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      1.800     0.400     0.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.29781E-01 ppm1      4.342 ppm2      1.626 CV     1
 ASSI {   19}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.32884E-02 ppm1      4.338 ppm2      7.716 CV     1
 ASSI {   21}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.27240E-02 ppm1      1.627 ppm2      4.190 CV     1
 ASSI {   25}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.54077E-02 ppm1      2.272 ppm2      7.545 CV     1
 ASSI {   32}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.54119E-02 ppm1      4.059 ppm2      8.254 CV     1
 ASSI {   33}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.57483E-02 ppm1      4.103 ppm2      8.254 CV     1
 ASSI {   34}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      4.104 ppm2      8.535 CV     1
 ASSI {   35}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     0.800     0.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.60240E-02 ppm1      3.000 ppm2      4.860 CV     1
 OR {   35}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {   39}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.26146E-02 ppm1      4.656 ppm2      7.874 CV     1
 ASSI {   40}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.34231E-02 ppm1      2.899 ppm2      7.878 CV     1
 OR {   40}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {   42}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.700     0.900     0.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.27617E-02 ppm1      4.194 ppm2      8.960 CV     1
 ASSI {   43}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.30722E-02 ppm1      4.208 ppm2      8.963 CV     1
 ASSI {   44}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     3.400     2.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.35021E-02 ppm1      4.209 ppm2      1.806 CV     1
 ASSI {   45}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak    45 spectrum    1 weight  0.10000E+01 volume  0.27670E-02 ppm1      1.801 ppm2      4.269 CV     1
 ASSI {   46}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.28921E-02 ppm1      1.788 ppm2      7.919 CV     1
 ASSI {   48}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HG  ))
      2.800     1.000     1.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.24886E-02 ppm1      1.063 ppm2      1.787 CV     1
 ASSI {   49}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG  ))
      2.500     0.800     0.800 peak    49 spectrum    1 weight  0.10000E+01 volume  0.47275E-02 ppm1      1.014 ppm2      1.787 CV     1
 ASSI {   52}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
      3.600     1.600     1.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.12798E-02 ppm1      1.010 ppm2      1.916 CV     1
 ASSI {   53}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak    53 spectrum    1 weight  0.10000E+01 volume  0.24326E-02 ppm1      1.069 ppm2      4.263 CV     1
 ASSI {   54}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.28151E-02 ppm1      1.014 ppm2      4.270 CV     1
 ASSI {   55}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.75044E-02 ppm1      4.347 ppm2      8.181 CV     1
 ASSI {   60}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      2.300     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.88968E-02 ppm1      1.602 ppm2      8.175 CV     1
 ASSI {   61}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.700     0.900     0.900 peak    61 spectrum    1 weight  0.10000E+01 volume  0.29325E-02 ppm1      1.604 ppm2      7.005 CV     1
 ASSI {   62}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.400     1.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.21049E-02 ppm1      4.250 ppm2      2.558 CV     1
 ASSI {   63}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG2 ))
      2.600     0.800     0.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.40585E-02 ppm1      4.250 ppm2      2.434 CV     1
 ASSI {   64}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.400     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.58434E-02 ppm1      4.250 ppm2      2.333 CV     1
 ASSI {   66}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.900     0.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.39618E-02 ppm1      4.251 ppm2      8.475 CV     1
 ASSI {   68}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.41686E-02 ppm1      4.244 ppm2      8.162 CV     1
 ASSI {   71}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.300     1.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.99709E-03 ppm1      3.946 ppm2      2.000 CV     1
 ASSI {   72}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.94981E-03 ppm1      3.948 ppm2      8.168 CV     1
 ASSI {   73}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.200     0.600     0.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.11041E-01 ppm1      1.654 ppm2      8.005 CV     1
 ASSI {   74}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.48855E-02 ppm1      1.654 ppm2      8.167 CV     1
 ASSI {   75}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.41463E-02 ppm1      4.339 ppm2      8.003 CV     1
 ASSI {   76}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.89899E-02 ppm1      1.016 ppm2      2.271 CV     1
 ASSI {   77}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.76875E-02 ppm1      0.976 ppm2      2.272 CV     1
 ASSI {   78}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      3.000     1.100     1.100 peak    78 spectrum    1 weight  0.10000E+01 volume  0.25877E-02 ppm1      1.016 ppm2      2.094 CV     1
 OR {   78}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
 OR {   78}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
 ASSI {   79}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.600     0.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.75280E-02 ppm1      0.966 ppm2      2.103 CV     1
 ASSI {   80}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.70903E-02 ppm1      1.017 ppm2      3.930 CV     1
 ASSI {   81}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.40150E-02 ppm1      0.976 ppm2      3.930 CV     1
 ASSI {   82}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.43499E-02 ppm1      1.016 ppm2      7.549 CV     1
 ASSI {   83}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.300     1.400     1.400 peak    83 spectrum    1 weight  0.10000E+01 volume  0.33449E-02 ppm1      0.976 ppm2      7.549 CV     1
 ASSI {   86}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.25922E-02 ppm1      4.184 ppm2      8.294 CV     1
 ASSI {   92}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HA1 ))
      1.700     0.400     0.500 peak    92 spectrum    1 weight  0.10000E+01 volume  0.20362E-01 ppm1      4.007 ppm2      4.129 CV     1
 ASSI {   93}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.100     1.100 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17557E-02 ppm1      4.133 ppm2      8.183 CV     1
 ASSI {   94}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.42920E-02 ppm1      1.010 ppm2      4.853 CV     1
 ASSI {   95}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.46838E-02 ppm1      1.011 ppm2      4.676 CV     1
 ASSI {   98}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.26415E-02 ppm1      4.232 ppm2      7.779 CV     1
 ASSI {  100}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      2.298 ppm2      7.779 CV     1
 ASSI {  102}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.200     1.300     1.300 peak   102 spectrum    1 weight  0.10000E+01 volume  0.84550E-03 ppm1      2.292 ppm2      7.409 CV     1
 ASSI {  103}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak   103 spectrum    1 weight  0.10000E+01 volume  0.26178E-02 ppm1      2.339 ppm2      4.219 CV     1
 ASSI {  104}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.18988E-02 ppm1      2.409 ppm2      4.234 CV     1
 ASSI {  105}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.400     1.500     1.500 peak   105 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      2.291 ppm2      4.233 CV     1
 ASSI {  106}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.600     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.17082E-02 ppm1      2.559 ppm2      4.234 CV     1
 ASSI {  107}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   107 spectrum    1 weight  0.10000E+01 volume  0.17146E-02 ppm1      2.488 ppm2      4.233 CV     1
 ASSI {  111}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.100     1.200     1.200 peak   111 spectrum    1 weight  0.10000E+01 volume  0.17371E-02 ppm1      2.484 ppm2      7.781 CV     1
 ASSI {  112}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.31723E-02 ppm1      1.728 ppm2      7.920 CV     1
 OR {  112}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  114}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
      2.100     0.500     0.500 peak   114 spectrum    1 weight  0.10000E+01 volume  0.10437E-01 ppm1      1.067 ppm2      4.251 CV     1
 OR {  114}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  115}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.100     1.100 peak   115 spectrum    1 weight  0.10000E+01 volume  0.32580E-02 ppm1      2.778 ppm2      4.500 CV     1
 ASSI {  118}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.500     1.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.17296E-02 ppm1      2.717 ppm2      4.241 CV     1
 ASSI {  120}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.32821E-02 ppm1      2.720 ppm2      8.423 CV     1
 ASSI {  121}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.42706E-02 ppm1      4.497 ppm2      8.430 CV     1
 ASSI {  122}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.400     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.66675E-02 ppm1      4.496 ppm2      2.727 CV     1
 ASSI {  123}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.84045E-02 ppm1      1.812 ppm2      1.987 CV     1
 OR {  123}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  129}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HA  ))
      3.900     1.900     1.900 peak   129 spectrum    1 weight  0.10000E+01 volume  0.57344E-03 ppm1      2.495 ppm2      4.376 CV     1
 ASSI {  130}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak   130 spectrum    1 weight  0.10000E+01 volume  0.15409E-02 ppm1      4.216 ppm2      7.978 CV     1
 ASSI {  132}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.33854E-02 ppm1      7.323 ppm2      3.355 CV     1
 ASSI {  134}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
      2.300     0.700     0.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.52709E-02 ppm1      7.006 ppm2      2.898 CV     1
 OR {  134}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  135}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
      3.200     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.19682E-02 ppm1      7.228 ppm2      1.360 CV     1
 OR {  135}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  138}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
      2.800     1.000     1.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.19587E-02 ppm1      7.230 ppm2      0.843 CV     1
 ASSI {  140}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.600     1.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.67179E-03 ppm1      7.300 ppm2      1.363 CV     1
 ASSI {  142}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HB1 ))
      2.400     0.700     0.700 peak   142 spectrum    1 weight  0.10000E+01 volume  0.44058E-02 ppm1      7.376 ppm2      3.442 CV     1
 ASSI {  144}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   144 spectrum    1 weight  0.10000E+01 volume  0.19707E-02 ppm1      6.814 ppm2      4.297 CV     1
 OR {  144}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  154}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.600     0.800     0.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.36498E-02 ppm1      0.981 ppm2      3.537 CV     1
 ASSI {  155}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.61793E-02 ppm1      0.394 ppm2      3.974 CV     1
 ASSI {  157}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.42237E-02 ppm1      0.981 ppm2      4.491 CV     1
 ASSI {  159}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
      2.900     1.100     1.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.28366E-02 ppm1      0.878 ppm2      1.075 CV     1
 OR {  159}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  162}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.100     1.100 peak   162 spectrum    1 weight  0.10000E+01 volume  0.98469E-03 ppm1      0.878 ppm2      1.391 CV     1
 ASSI {  166}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      4.400     2.400     1.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.62446E-03 ppm1      0.876 ppm2      1.773 CV     1
 ASSI {  167}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.600     1.600     1.600 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10633E-02 ppm1      0.880 ppm2      2.338 CV     1
 ASSI {  168}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.800     1.800     1.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      0.881 ppm2      2.255 CV     1
 ASSI {  169}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.96303E-03 ppm1      0.883 ppm2      2.690 CV     1
 ASSI {  171}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   171 spectrum    1 weight  0.10000E+01 volume  0.18377E-02 ppm1      0.881 ppm2      4.490 CV     1
 ASSI {  176}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.17261E-02 ppm1      0.879 ppm2      3.923 CV     1
 ASSI {  177}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      4.900     3.000     1.100 peak   177 spectrum    1 weight  0.10000E+01 volume  0.57673E-03 ppm1      0.881 ppm2      3.763 CV     1
 ASSI {  180}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.300     2.300     1.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.40736E-03 ppm1      0.880 ppm2      8.592 CV     1
 ASSI {  182}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.25751E-02 ppm1      0.804 ppm2      0.557 CV     1
 ASSI {  183}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      3.200     1.300     1.300 peak   183 spectrum    1 weight  0.10000E+01 volume  0.19354E-02 ppm1      0.938 ppm2      0.660 CV     1
 ASSI {  184}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.200     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.65260E-02 ppm1      0.803 ppm2      1.212 CV     1
 ASSI {  185}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
      2.300     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.62724E-02 ppm1      0.804 ppm2      1.058 CV     1
 OR {  185}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  187}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.200     1.200 peak   187 spectrum    1 weight  0.10000E+01 volume  0.11363E-02 ppm1      0.803 ppm2      1.419 CV     1
 ASSI {  188}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.500     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.40225E-02 ppm1      0.803 ppm2      1.910 CV     1
 ASSI {  189}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.100     0.500     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.81947E-02 ppm1      0.803 ppm2      1.787 CV     1
 ASSI {  191}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak   191 spectrum    1 weight  0.10000E+01 volume  0.55518E-03 ppm1      0.803 ppm2      1.538 CV     1
 OR {  191}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  194}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.66896E-02 ppm1      0.939 ppm2      1.870 CV     1
 ASSI {  195}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      3.100     3.100     2.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.57863E-03 ppm1      0.803 ppm2      2.462 CV     1
 ASSI {  196}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.400     1.500     1.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.31173E-03 ppm1      0.806 ppm2      2.356 CV     1
 OR {  196}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  197}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.500     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.53769E-03 ppm1      0.803 ppm2      2.250 CV     1
 ASSI {  199}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.59556E-02 ppm1      0.939 ppm2      2.335 CV     1
 ASSI {  201}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.500     2.500     1.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.37892E-03 ppm1      0.941 ppm2      3.440 CV     1
 ASSI {  204}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      4.100     2.100     1.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.70162E-03 ppm1      0.937 ppm2      2.882 CV     1
 OR {  204}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  206}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1      0.804 ppm2      3.763 CV     1
 ASSI {  209}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HD1 ))
      3.600     1.600     1.600 peak   209 spectrum    1 weight  0.10000E+01 volume  0.56829E-03 ppm1      0.937 ppm2      4.066 CV     1
 ASSI {  214}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      5.000     3.100     1.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.21643E-03 ppm1      0.934 ppm2      6.914 CV     1
 ASSI {  216}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.600     0.800     0.800 peak   216 spectrum    1 weight  0.10000E+01 volume  0.35360E-02 ppm1      0.938 ppm2      7.243 CV     1
 ASSI {  221}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.36165E-02 ppm1      0.907 ppm2      0.578 CV     1
 OR {  221}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  225}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 60   and name HG12))
      3.100     1.200     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.19971E-02 ppm1      0.911 ppm2      1.189 CV     1
 ASSI {  230}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.600     0.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.81319E-02 ppm1      0.908 ppm2      1.905 CV     1
 ASSI {  231}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      3.300     1.400     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.28875E-02 ppm1      0.911 ppm2      1.800 CV     1
 ASSI {  232}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HB2 ))
      4.100     2.100     1.900 peak   232 spectrum    1 weight  0.10000E+01 volume  0.87682E-03 ppm1      0.976 ppm2      2.101 CV     1
 OR {  232}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HG2 ))
 OR {  232}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HG1 ))
 ASSI {  233}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.200     1.300     1.300 peak   233 spectrum    1 weight  0.10000E+01 volume  0.11100E-02 ppm1      0.909 ppm2      2.104 CV     1
 ASSI {  235}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.200     0.600     0.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.80265E-02 ppm1      0.981 ppm2      1.926 CV     1
 ASSI {  237}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.200     2.200     1.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.63696E-03 ppm1      0.910 ppm2      3.906 CV     1
 ASSI {  238}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.55888E-02 ppm1      0.910 ppm2      3.763 CV     1
 ASSI {  240}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
      3.700     1.700     1.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.22552E-02 ppm1      0.981 ppm2      4.031 CV     1
 ASSI {  242}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.500     1.500 peak   242 spectrum    1 weight  0.10000E+01 volume  0.83567E-03 ppm1      0.912 ppm2      4.894 CV     1
 ASSI {  246}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.800     1.800     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.19431E-02 ppm1      0.909 ppm2      8.468 CV     1
 ASSI {  247}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HN  ))
      4.400     2.400     1.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.81535E-03 ppm1      0.981 ppm2      8.901 CV     1
 ASSI {  249}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      4.500     2.500     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.34687E-03 ppm1      0.977 ppm2      8.302 CV     1
 ASSI {  250}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.000     2.000     2.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.39796E-03 ppm1      0.910 ppm2      9.398 CV     1
 ASSI {  264}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.200     0.600     0.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.10569E-01 ppm1      1.580 ppm2      3.925 CV     1
 ASSI {  267}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
      4.000     2.000     2.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.13249E-02 ppm1      1.655 ppm2      2.334 CV     1
 OR {  267}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB1 ))
 OR {  267}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  268}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H2A ))
      4.600     2.700     1.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.30388E-03 ppm1      1.584 ppm2      2.521 CV     1
 OR {  268}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H2B ))
 ASSI {  271}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.87708E-03 ppm1      1.603 ppm2      0.396 CV     1
 ASSI {  274}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
      2.000     0.500     0.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.13974E-01 ppm1      1.630 ppm2      0.970 CV     1
 ASSI {  275}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 14   and name HD2%)
      2.600     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.32306E-02 ppm1      1.630 ppm2      0.869 CV     1
 ASSI {  277}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.700     0.900     0.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.27392E-02 ppm1      1.462 ppm2      0.969 CV     1
 ASSI {  281}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.38302E-02 ppm1      1.061 ppm2      1.474 CV     1
 ASSI {  282}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.20941E-02 ppm1      1.055 ppm2      1.422 CV     1
 ASSI {  284}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG11))
      3.600     1.600     1.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.17863E-02 ppm1      1.057 ppm2      1.878 CV     1
 ASSI {  286}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB1 ))
      2.800     1.000     1.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.22214E-02 ppm1      1.058 ppm2      1.786 CV     1
 OR {  286}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  288}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD1%)
      4.500     2.600     1.500 peak   288 spectrum    1 weight  0.10000E+01 volume  0.63804E-03 ppm1      1.613 ppm2      0.573 CV     1
 OR {  288}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  289}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.500     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.43025E-02 ppm1      1.060 ppm2      2.332 CV     1
 ASSI {  294}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.700     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.32854E-02 ppm1      1.628 ppm2      2.067 CV     1
 ASSI {  299}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
      3.600     1.600     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.83243E-03 ppm1      1.060 ppm2      3.000 CV     1
 OR {  299}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  301}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      4.900     3.000     1.100 peak   301 spectrum    1 weight  0.10000E+01 volume  0.71258E-03 ppm1      1.061 ppm2      2.885 CV     1
 OR {  301}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  305}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.800     1.000     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.30932E-02 ppm1      1.631 ppm2      3.764 CV     1
 ASSI {  306}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.11169E-01 ppm1      1.460 ppm2      4.182 CV     1
 ASSI {  318}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.400     2.500     1.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.14104E-02 ppm1      1.059 ppm2      7.005 CV     1
 ASSI {  319}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      4.500     2.500     1.500 peak   319 spectrum    1 weight  0.10000E+01 volume  0.80774E-03 ppm1      1.056 ppm2      6.762 CV     1
 ASSI {  320}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.61510E-03 ppm1      1.461 ppm2      7.549 CV     1
 ASSI {  324}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.47274E-02 ppm1      1.581 ppm2      8.005 CV     1
 ASSI {  331}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.99698E-02 ppm1      1.461 ppm2      8.292 CV     1
 ASSI {  332}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.100     1.100 peak   332 spectrum    1 weight  0.10000E+01 volume  0.29439E-02 ppm1      1.460 ppm2      8.184 CV     1
 ASSI {  334}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.33046E-02 ppm1      1.604 ppm2      8.414 CV     1
 ASSI {  335}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.97553E-02 ppm1      1.580 ppm2      8.544 CV     1
 ASSI {  341}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   341 spectrum    1 weight  0.10000E+01 volume  0.58830E-02 ppm1      1.553 ppm2      7.920 CV     1
 ASSI {  342}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.300     0.600     0.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.97461E-02 ppm1      1.591 ppm2      7.957 CV     1
 ASSI {  344}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.700     0.900     0.900 peak   344 spectrum    1 weight  0.10000E+01 volume  0.22302E-02 ppm1      1.592 ppm2      4.036 CV     1
 ASSI {  347}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.100     1.100 peak   347 spectrum    1 weight  0.10000E+01 volume  0.23696E-02 ppm1      1.554 ppm2      4.264 CV     1
 ASSI {  348}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.300     0.700     0.700 peak   348 spectrum    1 weight  0.10000E+01 volume  0.10263E-01 ppm1      1.593 ppm2      4.306 CV     1
 ASSI {  350}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.79977E-02 ppm1      1.553 ppm2      4.460 CV     1
 ASSI {  354}
   (  segid "    " and resid 83   and name HB% )
   (  segid "    " and resid 4    and name HD1%)
      3.200     1.300     1.300 peak   354 spectrum    1 weight  0.10000E+01 volume  0.13533E-02 ppm1      1.590 ppm2      0.897 CV     1
 ASSI {  355}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak   355 spectrum    1 weight  0.10000E+01 volume  0.62256E-03 ppm1      1.078 ppm2      0.379 CV     1
 ASSI {  358}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 5    and name HD1%)
      3.700     1.700     1.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      0.913 ppm2      0.573 CV     1
 OR {  358}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  361}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 52   and name HB2 ))
      4.100     2.100     1.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.91792E-03 ppm1      0.912 ppm2      1.416 CV     1
 ASSI {  364}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HB1 ))
      4.500     2.600     1.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.45665E-03 ppm1      0.917 ppm2      1.968 CV     1
 ASSI {  365}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.81751E-03 ppm1      0.916 ppm2      1.884 CV     1
 ASSI {  366}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.16230E-02 ppm1      0.914 ppm2      2.877 CV     1
 ASSI {  367}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
      5.300     3.500     0.700 peak   367 spectrum    1 weight  0.10000E+01 volume  0.65008E-03 ppm1      0.914 ppm2      2.685 CV     1
 ASSI {  368}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.300     2.300     1.700 peak   368 spectrum    1 weight  0.10000E+01 volume  0.14893E-02 ppm1      0.915 ppm2      2.350 CV     1
 OR {  368}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  370}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 52   and name HB1 ))
      4.200     2.200     1.800 peak   370 spectrum    1 weight  0.10000E+01 volume  0.40937E-03 ppm1      0.914 ppm2      2.226 CV     1
 ASSI {  371}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.76932E-02 ppm1      0.913 ppm2      2.101 CV     1
 ASSI {  372}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.100     1.200     1.200 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14059E-02 ppm1      0.913 ppm2      3.442 CV     1
 ASSI {  373}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   373 spectrum    1 weight  0.10000E+01 volume  0.29694E-02 ppm1      0.914 ppm2      4.204 CV     1
 ASSI {  374}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA1 ))
      3.100     1.200     1.200 peak   374 spectrum    1 weight  0.10000E+01 volume  0.61999E-03 ppm1      0.913 ppm2      4.092 CV     1
 OR {  374}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  376}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.28197E-02 ppm1      0.914 ppm2      4.546 CV     1
 ASSI {  377}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak   377 spectrum    1 weight  0.10000E+01 volume  0.37835E-02 ppm1      1.083 ppm2      4.527 CV     1
 ASSI {  381}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.46926E-02 ppm1      1.645 ppm2      4.278 CV     1
 ASSI {  383}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
      4.000     2.000     2.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.10714E-02 ppm1      1.499 ppm2      4.068 CV     1
 ASSI {  385}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      3.800     1.800     1.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.54530E-03 ppm1      1.461 ppm2      4.220 CV     1
 ASSI {  387}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.70738E-02 ppm1      1.502 ppm2      4.369 CV     1
 ASSI {  414}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
      5.300     3.600     0.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.33469E-03 ppm1      0.909 ppm2      8.602 CV     1
 ASSI {  415}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      4.200     2.200     1.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.16262E-02 ppm1      0.914 ppm2      8.424 CV     1
 ASSI {  416}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.65980E-03 ppm1      1.079 ppm2      9.183 CV     1
 ASSI {  418}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.56228E-02 ppm1      1.083 ppm2      7.752 CV     1
 ASSI {  420}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.68598E-02 ppm1      1.502 ppm2      7.910 CV     1
 ASSI {  421}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      4.500     2.500     1.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.30530E-03 ppm1      1.500 ppm2      8.523 CV     1
 ASSI {  423}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   423 spectrum    1 weight  0.10000E+01 volume  0.21128E-02 ppm1      1.502 ppm2      8.257 CV     1
 ASSI {  424}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      4.800     2.900     1.200 peak   424 spectrum    1 weight  0.10000E+01 volume  0.38322E-03 ppm1      1.081 ppm2      7.417 CV     1
 ASSI {  425}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      4.000     2.000     2.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.44622E-03 ppm1      1.081 ppm2      7.252 CV     1
 ASSI {  428}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 56   and name HD% )
      3.100     1.200     1.200 peak   428 spectrum    1 weight  0.10000E+01 volume  0.57611E-03 ppm1      0.913 ppm2      7.371 CV     1
 ASSI {  429}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.47445E-02 ppm1      0.914 ppm2      7.251 CV     1
 ASSI {  430}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.500     1.500     1.500 peak   430 spectrum    1 weight  0.10000E+01 volume  0.11185E-02 ppm1      1.501 ppm2      7.006 CV     1
 ASSI {  434}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.400     0.700     0.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.60960E-02 ppm1      1.081 ppm2      2.321 CV     1
 ASSI {  443}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   443 spectrum    1 weight  0.10000E+01 volume  0.26849E-02 ppm1      0.977 ppm2      8.297 CV     1
 ASSI {  459}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.40369E-02 ppm1      1.091 ppm2      4.421 CV     1
 ASSI {  461}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   461 spectrum    1 weight  0.10000E+01 volume  0.44079E-02 ppm1      1.225 ppm2      4.510 CV     1
 ASSI {  462}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 71   and name HD2 ))
      3.600     1.600     1.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.15628E-02 ppm1      1.011 ppm2      3.071 CV     1
 ASSI {  463}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.20259E-02 ppm1      1.013 ppm2      2.933 CV     1
 ASSI {  464}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.200     1.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.16425E-02 ppm1      1.010 ppm2      2.804 CV     1
 ASSI {  468}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HG2 ))
      3.100     1.200     1.200 peak   468 spectrum    1 weight  0.10000E+01 volume  0.28982E-02 ppm1      1.088 ppm2      1.746 CV     1
 ASSI {  469}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 13   and name HB% )
      2.400     0.700     0.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.54129E-02 ppm1      1.092 ppm2      1.633 CV     1
 ASSI {  470}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG2 ))
      2.600     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.21567E-02 ppm1      1.013 ppm2      1.630 CV     1
 ASSI {  480}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      2.500     2.500     3.500 peak   480 spectrum    1 weight  0.10000E+01 volume  0.23237E-02 ppm1      1.362 ppm2      8.187 CV     1
 ASSI {  481}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.49695E-02 ppm1      1.384 ppm2      9.179 CV     1
 ASSI {  482}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.94097E-03 ppm1      1.386 ppm2      8.825 CV     1
 ASSI {  483}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.14149E-02 ppm1      1.212 ppm2      8.590 CV     1
 ASSI {  487}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.400     1.400     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.15467E-02 ppm1      0.966 ppm2      8.421 CV     1
 ASSI {  489}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   489 spectrum    1 weight  0.10000E+01 volume  0.20861E-02 ppm1      0.967 ppm2      7.253 CV     1
 ASSI {  491}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.61217E-02 ppm1      1.362 ppm2      4.172 CV     1
 ASSI {  492}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   492 spectrum    1 weight  0.10000E+01 volume  0.11459E-01 ppm1      1.385 ppm2      4.816 CV     1
 OR {  492}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  493}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      1.384 ppm2      4.584 CV     1
 ASSI {  495}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HB  ))
      2.400     0.700     0.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.83757E-02 ppm1      1.213 ppm2      4.187 CV     1
 ASSI {  496}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   496 spectrum    1 weight  0.10000E+01 volume  0.48189E-02 ppm1      0.968 ppm2      4.547 CV     1
 ASSI {  498}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.100     2.200     1.900 peak   498 spectrum    1 weight  0.10000E+01 volume  0.10547E-02 ppm1      0.968 ppm2      3.447 CV     1
 ASSI {  500}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      3.600     1.600     1.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.17188E-02 ppm1      1.016 ppm2      3.544 CV     1
 ASSI {  502}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak   502 spectrum    1 weight  0.10000E+01 volume  0.96632E-03 ppm1      0.968 ppm2      2.884 CV     1
 ASSI {  503}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.700     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.33920E-02 ppm1      1.362 ppm2      0.529 CV     1
 ASSI {  506}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      2.800     1.000     1.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.25702E-02 ppm1      1.119 ppm2      0.798 CV     1
 ASSI {  507}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      2.300     0.700     0.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      0.394 ppm2      0.583 CV     1
 ASSI {  508}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H4B ))
      3.200     1.300     1.300 peak   508 spectrum    1 weight  0.10000E+01 volume  0.22613E-02 ppm1      0.394 ppm2      1.172 CV     1
 OR {  508}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H5A ))
 OR {  508}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H6B ))
 OR {  508}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H5B ))
 OR {  508}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H4A ))
 OR {  508}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H6A ))
 ASSI {  510}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      3.400     1.400     1.400 peak   510 spectrum    1 weight  0.10000E+01 volume  0.23974E-02 ppm1      0.394 ppm2      1.810 CV     1
 ASSI {  511}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.65435E-02 ppm1      0.395 ppm2      1.628 CV     1
 ASSI {  512}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.39393E-02 ppm1      0.394 ppm2      1.407 CV     1
 ASSI {  513}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.200     0.600     0.600 peak   513 spectrum    1 weight  0.10000E+01 volume  0.95424E-02 ppm1      0.947 ppm2      1.771 CV     1
 OR {  513}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  514}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
      2.800     2.800     3.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.71021E-02 ppm1      1.064 ppm2      1.715 CV     1
 OR {  514}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  516}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
      3.200     1.300     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.18385E-02 ppm1      1.120 ppm2      1.407 CV     1
 ASSI {  519}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak   519 spectrum    1 weight  0.10000E+01 volume  0.10693E-01 ppm1      1.120 ppm2      2.258 CV     1
 ASSI {  522}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 37   and name HB1 ))
      3.500     1.500     1.500 peak   522 spectrum    1 weight  0.10000E+01 volume  0.14139E-02 ppm1      0.949 ppm2      3.011 CV     1
 OR {  522}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  523}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      2.600     0.800     0.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.32150E-02 ppm1      0.394 ppm2      2.894 CV     1
 OR {  523}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  527}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.47028E-02 ppm1      1.120 ppm2      4.040 CV     1
 ASSI {  528}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.64175E-02 ppm1      1.120 ppm2      3.925 CV     1
 ASSI {  529}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.62770E-02 ppm1      1.362 ppm2      4.293 CV     1
 ASSI {  530}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.51063E-02 ppm1      1.362 ppm2      3.851 CV     1
 ASSI {  531}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak   531 spectrum    1 weight  0.10000E+01 volume  0.61639E-02 ppm1      1.083 ppm2      4.527 CV     1
 ASSI {  532}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.95907E-03 ppm1      0.947 ppm2      4.695 CV     1
 ASSI {  533}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      3.300     1.300     1.300 peak   533 spectrum    1 weight  0.10000E+01 volume  0.75599E-03 ppm1      0.391 ppm2      3.448 CV     1
 ASSI {  534}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      4.100     2.100     1.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.50404E-03 ppm1      0.393 ppm2      3.124 CV     1
 ASSI {  535}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H2B ))
      5.100     3.300     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.26171E-03 ppm1      0.398 ppm2      2.493 CV     1
 OR {  535}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H2A ))
 ASSI {  540}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.600     1.700     1.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      1.120 ppm2      1.941 CV     1
 ASSI {  541}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 42   and name H8% )
      2.900     1.100     1.100 peak   541 spectrum    1 weight  0.10000E+01 volume  0.19980E-02 ppm1      0.396 ppm2      0.836 CV     1
 ASSI {  542}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.25575E-02 ppm1      0.394 ppm2      0.733 CV     1
 ASSI {  544}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.400     1.500     1.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.90228E-03 ppm1      1.118 ppm2      0.689 CV     1
 ASSI {  545}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HA  ))
      4.800     2.900     1.200 peak   545 spectrum    1 weight  0.10000E+01 volume  0.34512E-03 ppm1      1.086 ppm2      5.220 CV     1
 ASSI {  546}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      5.000     3.200     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.32736E-03 ppm1      1.366 ppm2      4.799 CV     1
 OR {  546}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
 ASSI {  547}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.54834E-03 ppm1      1.361 ppm2      4.615 CV     1
 ASSI {  551}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.100     1.100 peak   551 spectrum    1 weight  0.10000E+01 volume  0.37405E-02 ppm1      1.363 ppm2      7.235 CV     1
 ASSI {  553}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      3.500     1.500     1.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.11541E-02 ppm1      1.073 ppm2      6.911 CV     1
 OR {  553}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  555}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.100     1.200     1.200 peak   555 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      0.395 ppm2      7.242 CV     1
 ASSI {  557}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      4.000     2.000     2.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.38335E-03 ppm1      0.392 ppm2      6.911 CV     1
 ASSI {  561}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.10731E-02 ppm1      1.083 ppm2      7.406 CV     1
 ASSI {  563}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.100     1.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.26240E-02 ppm1      1.083 ppm2      7.757 CV     1
 ASSI {  565}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.12958E-02 ppm1      0.394 ppm2      8.416 CV     1
 ASSI {  569}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.17518E-02 ppm1      0.946 ppm2      8.438 CV     1
 ASSI {  571}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.600     0.600 peak   571 spectrum    1 weight  0.10000E+01 volume  0.82204E-02 ppm1      1.120 ppm2      8.433 CV     1
 ASSI {  572}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      4.700     2.700     1.300 peak   572 spectrum    1 weight  0.10000E+01 volume  0.33149E-03 ppm1      1.117 ppm2      8.543 CV     1
 ASSI {  576}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   576 spectrum    1 weight  0.10000E+01 volume  0.12995E-02 ppm1      1.361 ppm2      8.831 CV     1
 ASSI {  577}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   577 spectrum    1 weight  0.10000E+01 volume  0.11632E-02 ppm1      1.083 ppm2      9.172 CV     1
 ASSI {  578}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      4.200     2.200     1.800 peak   578 spectrum    1 weight  0.10000E+01 volume  0.11799E-02 ppm1      0.520 ppm2      8.978 CV     1
 ASSI {  580}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.15139E-02 ppm1      0.895 ppm2      9.393 CV     1
 ASSI {  583}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   583 spectrum    1 weight  0.10000E+01 volume  0.13285E-02 ppm1      0.973 ppm2      8.530 CV     1
 ASSI {  585}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      4.800     2.900     1.200 peak   585 spectrum    1 weight  0.10000E+01 volume  0.51024E-03 ppm1      0.724 ppm2      8.435 CV     1
 ASSI {  593}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1      0.985 ppm2      8.228 CV     1
 ASSI {  596}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      4.300     2.400     1.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.72513E-03 ppm1      0.896 ppm2      7.647 CV     1
 ASSI {  598}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
      3.500     1.600     1.600 peak   598 spectrum    1 weight  0.10000E+01 volume  0.17139E-02 ppm1      0.522 ppm2      7.300 CV     1
 OR {  598}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  599}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.800     1.800     1.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.15615E-02 ppm1      0.522 ppm2      7.236 CV     1
 ASSI {  600}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.600     1.600     1.600 peak   600 spectrum    1 weight  0.10000E+01 volume  0.18728E-02 ppm1      0.668 ppm2      7.323 CV     1
 ASSI {  601}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.400     1.400     1.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.81607E-03 ppm1      0.724 ppm2      7.241 CV     1
 ASSI {  604}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
      4.200     2.200     1.800 peak   604 spectrum    1 weight  0.10000E+01 volume  0.77220E-03 ppm1      0.725 ppm2      6.911 CV     1
 ASSI {  607}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      2.800     1.000     1.000 peak   607 spectrum    1 weight  0.10000E+01 volume  0.43493E-02 ppm1      0.975 ppm2      7.374 CV     1
 ASSI {  609}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.400     1.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.21321E-02 ppm1      0.896 ppm2      4.889 CV     1
 ASSI {  610}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.300     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.75862E-02 ppm1      0.896 ppm2      4.349 CV     1
 ASSI {  613}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak   613 spectrum    1 weight  0.10000E+01 volume  0.66057E-02 ppm1      0.725 ppm2      4.335 CV     1
 ASSI {  614}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.700     1.400 peak   614 spectrum    1 weight  0.10000E+01 volume  0.78840E-03 ppm1      0.522 ppm2      4.266 CV     1
 ASSI {  616}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.92620E-03 ppm1      0.522 ppm2      3.856 CV     1
 ASSI {  618}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      5.300     3.500     0.700 peak   618 spectrum    1 weight  0.10000E+01 volume  0.29762E-03 ppm1      0.725 ppm2      3.595 CV     1
 ASSI {  623}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.200     0.600     0.600 peak   623 spectrum    1 weight  0.10000E+01 volume  0.77631E-02 ppm1      1.039 ppm2      4.188 CV     1
 ASSI {  626}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   626 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      1.038 ppm2      3.898 CV     1
 ASSI {  628}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.700     1.700     1.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.12622E-02 ppm1      0.668 ppm2      3.354 CV     1
 ASSI {  629}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.900     1.900     1.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.10961E-02 ppm1      0.668 ppm2      3.064 CV     1
 ASSI {  630}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.400     2.400     1.600 peak   630 spectrum    1 weight  0.10000E+01 volume  0.33792E-03 ppm1      0.730 ppm2      2.897 CV     1
 OR {  630}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  633}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.900     1.900     1.900 peak   633 spectrum    1 weight  0.10000E+01 volume  0.19655E-02 ppm1      0.898 ppm2      2.796 CV     1
 ASSI {  634}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.700     1.700     1.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.18741E-02 ppm1      0.895 ppm2      1.963 CV     1
 ASSI {  638}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.800     1.800     1.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.62174E-03 ppm1      0.974 ppm2      2.184 CV     1
 ASSI {  639}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   639 spectrum    1 weight  0.10000E+01 volume  0.61824E-02 ppm1      0.973 ppm2      2.056 CV     1
 ASSI {  640}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.000     1.100     1.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.30901E-02 ppm1      0.980 ppm2      1.964 CV     1
 ASSI {  641}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak   641 spectrum    1 weight  0.10000E+01 volume  0.27234E-02 ppm1      0.726 ppm2      1.928 CV     1
 ASSI {  642}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.600     0.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.60723E-02 ppm1      0.725 ppm2      1.751 CV     1
 ASSI {  644}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      4.400     2.400     1.600 peak   644 spectrum    1 weight  0.10000E+01 volume  0.23730E-02 ppm1      0.521 ppm2      2.243 CV     1
 OR {  644}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  645}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      3.500     1.500     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.36272E-02 ppm1      0.521 ppm2      2.034 CV     1
 ASSI {  647}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.400     0.700     0.700 peak   647 spectrum    1 weight  0.10000E+01 volume  0.48390E-02 ppm1      0.667 ppm2      1.587 CV     1
 ASSI {  649}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.300     0.700     0.700 peak   649 spectrum    1 weight  0.10000E+01 volume  0.61330E-02 ppm1      1.039 ppm2      1.902 CV     1
 ASSI {  650}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.100     1.200     1.200 peak   650 spectrum    1 weight  0.10000E+01 volume  0.27451E-02 ppm1      1.038 ppm2      2.216 CV     1
 ASSI {  651}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.55991E-02 ppm1      0.897 ppm2      1.711 CV     1
 ASSI {  653}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.36833E-02 ppm1      0.896 ppm2      1.480 CV     1
 ASSI {  655}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.43571E-02 ppm1      0.974 ppm2      1.396 CV     1
 ASSI {  659}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.40690E-02 ppm1      0.667 ppm2      1.337 CV     1
 ASSI {  660}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
      3.100     1.200     1.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.21228E-02 ppm1      0.667 ppm2      1.225 CV     1
 ASSI {  661}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak   661 spectrum    1 weight  0.10000E+01 volume  0.21590E-02 ppm1      0.667 ppm2      1.065 CV     1
 ASSI {  663}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak   663 spectrum    1 weight  0.10000E+01 volume  0.49090E-02 ppm1      0.724 ppm2      1.462 CV     1
 ASSI {  665}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      2.300     0.600     0.600 peak   665 spectrum    1 weight  0.10000E+01 volume  0.74925E-02 ppm1      0.725 ppm2      1.083 CV     1
 ASSI {  668}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak   668 spectrum    1 weight  0.10000E+01 volume  0.48599E-02 ppm1      0.521 ppm2      1.292 CV     1
 ASSI {  669}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak   669 spectrum    1 weight  0.10000E+01 volume  0.47401E-02 ppm1      0.521 ppm2      1.093 CV     1
 ASSI {  670}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.100     0.500     0.500 peak   670 spectrum    1 weight  0.10000E+01 volume  0.14383E-01 ppm1      0.521 ppm2      0.810 CV     1
 ASSI {  672}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.34432E-02 ppm1      0.973 ppm2      0.577 CV     1
 OR {  672}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  676}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 26   and name HD2%)
      2.200     0.600     0.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.11378E-01 ppm1      0.668 ppm2      0.788 CV     1
 ASSI {  677}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.100     0.600     0.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.12720E-01 ppm1      0.725 ppm2      0.844 CV     1
 ASSI {  682}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
      2.600     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.65317E-02 ppm1      0.600 ppm2      0.957 CV     1
 ASSI {  683}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.800     0.800 peak   683 spectrum    1 weight  0.10000E+01 volume  0.33662E-02 ppm1      0.600 ppm2      0.796 CV     1
 ASSI {  684}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.42779E-02 ppm1      0.548 ppm2      0.979 CV     1
 ASSI {  691}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
      2.400     0.700     0.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.41643E-02 ppm1      0.599 ppm2      1.534 CV     1
 OR {  691}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  692}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.200     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.80985E-02 ppm1      0.550 ppm2      1.538 CV     1
 OR {  692}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  693}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.800     1.000     1.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.20092E-02 ppm1      0.551 ppm2      1.454 CV     1
 ASSI {  694}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.300     1.400     1.400 peak   694 spectrum    1 weight  0.10000E+01 volume  0.24250E-02 ppm1      0.594 ppm2      1.442 CV     1
 ASSI {  696}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      3.000     1.100     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.16048E-02 ppm1      0.577 ppm2      1.635 CV     1
 ASSI {  700}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      2.700     0.900     0.900 peak   700 spectrum    1 weight  0.10000E+01 volume  0.29032E-02 ppm1      0.808 ppm2      1.372 CV     1
 ASSI {  702}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
      4.300     2.300     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.11736E-02 ppm1      0.964 ppm2      1.526 CV     1
 OR {  702}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  703}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.400     1.400 peak   703 spectrum    1 weight  0.10000E+01 volume  0.33976E-02 ppm1      0.964 ppm2      1.479 CV     1
 ASSI {  705}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
      3.100     1.200     1.200 peak   705 spectrum    1 weight  0.10000E+01 volume  0.22379E-02 ppm1      1.067 ppm2      1.907 CV     1
 ASSI {  708}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.800     0.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.36909E-02 ppm1      0.575 ppm2      1.807 CV     1
 ASSI {  709}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H6B ))
      3.600     1.600     1.600 peak   709 spectrum    1 weight  0.10000E+01 volume  0.98824E-03 ppm1      0.578 ppm2      1.168 CV     1
 OR {  709}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H5A ))
 OR {  709}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H5B ))
 OR {  709}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H6A ))
 OR {  709}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H4B ))
 OR {  709}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H4A ))
 ASSI {  717}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H2B ))
      4.400     2.500     1.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.41204E-03 ppm1      0.578 ppm2      2.509 CV     1
 OR {  717}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name H2A ))
 ASSI {  721}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
      2.900     2.900     3.100 peak   721 spectrum    1 weight  0.10000E+01 volume  0.82312E-03 ppm1      0.575 ppm2      2.891 CV     1
 OR {  721}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  722}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   722 spectrum    1 weight  0.10000E+01 volume  0.54443E-02 ppm1      0.803 ppm2      3.900 CV     1
 ASSI {  724}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.200     1.200 peak   724 spectrum    1 weight  0.10000E+01 volume  0.98824E-03 ppm1      0.810 ppm2      3.635 CV     1
 ASSI {  726}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      3.200     1.300     1.300 peak   726 spectrum    1 weight  0.10000E+01 volume  0.12128E-02 ppm1      0.577 ppm2      3.442 CV     1
 ASSI {  727}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      3.500     1.600     1.600 peak   727 spectrum    1 weight  0.10000E+01 volume  0.66140E-03 ppm1      0.576 ppm2      3.126 CV     1
 ASSI {  729}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak   729 spectrum    1 weight  0.10000E+01 volume  0.28045E-02 ppm1      0.576 ppm2      4.208 CV     1
 ASSI {  731}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      3.500     1.600     1.600 peak   731 spectrum    1 weight  0.10000E+01 volume  0.85033E-03 ppm1      0.553 ppm2      6.811 CV     1
 ASSI {  733}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.200     2.200     1.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.35343E-03 ppm1      0.574 ppm2      6.909 CV     1
 ASSI {  735}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      4.000     2.000     2.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.11557E-02 ppm1      0.599 ppm2      7.371 CV     1
 ASSI {  736}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.700     1.700     1.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.76751E-03 ppm1      0.553 ppm2      7.373 CV     1
 ASSI {  737}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.400     1.400     1.400 peak   737 spectrum    1 weight  0.10000E+01 volume  0.10884E-02 ppm1      0.576 ppm2      7.245 CV     1
 ASSI {  744}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HN  ))
      5.000     3.100     1.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.55091E-03 ppm1      1.069 ppm2      7.909 CV     1
 ASSI {  747}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.500     2.500     1.500 peak   747 spectrum    1 weight  0.10000E+01 volume  0.50268E-03 ppm1      0.802 ppm2      9.391 CV     1
 ASSI {  749}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.800     2.900     1.200 peak   749 spectrum    1 weight  0.10000E+01 volume  0.52745E-03 ppm1      0.551 ppm2      9.396 CV     1
 ASSI {  751}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      4.900     3.000     1.100 peak   751 spectrum    1 weight  0.10000E+01 volume  0.41973E-03 ppm1      0.546 ppm2      9.189 CV     1
 ASSI {  752}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.10452E-02 ppm1      0.996 ppm2      9.391 CV     1
 ASSI {  759}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   759 spectrum    1 weight  0.10000E+01 volume  0.97162E-03 ppm1      0.996 ppm2      8.233 CV     1
 ASSI {  761}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HN  ))
      4.500     2.600     1.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.73732E-03 ppm1      1.004 ppm2      7.936 CV     1
 ASSI {  762}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HN  ))
      4.600     2.600     1.400 peak   762 spectrum    1 weight  0.10000E+01 volume  0.68177E-03 ppm1      0.967 ppm2      7.940 CV     1
 ASSI {  763}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      3.600     1.700     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.10413E-02 ppm1      0.850 ppm2      7.310 CV     1
 OR {  763}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  765}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.900     1.900     1.900 peak   765 spectrum    1 weight  0.10000E+01 volume  0.65147E-03 ppm1      0.839 ppm2      7.485 CV     1
 ASSI {  766}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      4.500     2.600     1.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.45724E-03 ppm1      1.042 ppm2      7.316 CV     1
 ASSI {  767}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak   767 spectrum    1 weight  0.10000E+01 volume  0.95609E-03 ppm1      1.039 ppm2      7.245 CV     1
 ASSI {  773}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak   773 spectrum    1 weight  0.10000E+01 volume  0.10784E-02 ppm1      0.997 ppm2      4.892 CV     1
 ASSI {  778}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HB  ))
      3.000     1.100     1.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.72209E-03 ppm1      0.815 ppm2      4.290 CV     1
 ASSI {  780}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.18219E-02 ppm1      0.850 ppm2      3.607 CV     1
 ASSI {  781}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   781 spectrum    1 weight  0.10000E+01 volume  0.20357E-02 ppm1      0.997 ppm2      4.348 CV     1
 ASSI {  784}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.400     1.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.94760E-03 ppm1      1.040 ppm2      4.375 CV     1
 ASSI {  785}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   785 spectrum    1 weight  0.10000E+01 volume  0.35423E-02 ppm1      1.041 ppm2      4.694 CV     1
 ASSI {  788}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      3.000     1.100     1.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.83994E-03 ppm1      0.814 ppm2      3.381 CV     1
 ASSI {  799}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      2.600     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.32709E-02 ppm1      0.803 ppm2      1.574 CV     1
 ASSI {  803}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.29077E-02 ppm1      0.805 ppm2      1.332 CV     1
 ASSI {  805}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak   805 spectrum    1 weight  0.10000E+01 volume  0.25277E-02 ppm1      1.041 ppm2      1.422 CV     1
 ASSI {  806}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.500     0.800     0.800 peak   806 spectrum    1 weight  0.10000E+01 volume  0.48554E-02 ppm1      1.039 ppm2      1.781 CV     1
 OR {  806}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  813}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.900     1.000     1.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.20185E-02 ppm1      0.989 ppm2      1.880 CV     1
 ASSI {  814}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      3.000     1.100     1.100 peak   814 spectrum    1 weight  0.10000E+01 volume  0.40536E-02 ppm1      0.996 ppm2      1.575 CV     1
 ASSI {  818}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.30427E-02 ppm1      1.874 ppm2      8.230 CV     1
 ASSI {  819}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HD% )
      3.400     1.500     1.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.18906E-02 ppm1      2.215 ppm2      7.321 CV     1
 ASSI {  821}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.30612E-02 ppm1      2.053 ppm2      8.540 CV     1
 ASSI {  823}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.900     1.100     1.100 peak   823 spectrum    1 weight  0.10000E+01 volume  0.20491E-02 ppm1      1.092 ppm2      7.235 CV     1
 ASSI {  824}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 35   and name HE% )
      3.400     1.500     1.500 peak   824 spectrum    1 weight  0.10000E+01 volume  0.99194E-03 ppm1      1.011 ppm2      7.018 CV     1
 ASSI {  825}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.000     1.100     1.100 peak   825 spectrum    1 weight  0.10000E+01 volume  0.15904E-02 ppm1      1.014 ppm2      6.911 CV     1
 ASSI {  827}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      4.400     2.400     1.600 peak   827 spectrum    1 weight  0.10000E+01 volume  0.72446E-03 ppm1      0.909 ppm2      8.304 CV     1
 ASSI {  829}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak   829 spectrum    1 weight  0.10000E+01 volume  0.30007E-02 ppm1      0.834 ppm2      8.542 CV     1
 ASSI {  833}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.300     1.300 peak   833 spectrum    1 weight  0.10000E+01 volume  0.31614E-02 ppm1      1.634 ppm2      8.414 CV     1
 ASSI {  835}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      1.714 ppm2      8.775 CV     1
 ASSI {  836}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      2.900     1.000     1.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.10861E-02 ppm1      1.466 ppm2      7.320 CV     1
 ASSI {  838}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.500     2.500     1.500 peak   838 spectrum    1 weight  0.10000E+01 volume  0.64951E-03 ppm1      1.469 ppm2      7.021 CV     1
 ASSI {  839}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      5.000     3.100     1.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.56341E-03 ppm1      1.014 ppm2      7.911 CV     1
 ASSI {  842}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
      3.800     1.800     1.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      1.092 ppm2      4.208 CV     1
 ASSI {  844}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      1.095 ppm2      3.891 CV     1
 ASSI {  850}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.300     3.300     2.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.12275E-02 ppm1      1.633 ppm2      2.896 CV     1
 ASSI {  854}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   854 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      1.631 ppm2      3.974 CV     1
 ASSI {  857}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.000     1.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.24568E-02 ppm1      1.316 ppm2      4.099 CV     1
 ASSI {  860}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      3.100     1.200     1.200 peak   860 spectrum    1 weight  0.10000E+01 volume  0.15945E-02 ppm1      1.768 ppm2      4.695 CV     1
 ASSI {  862}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.400     1.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.44578E-03 ppm1      1.631 ppm2      4.204 CV     1
 ASSI {  863}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.500     2.500     1.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10034E-02 ppm1      2.214 ppm2      3.382 CV     1
 ASSI {  867}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 70   and name HA  ))
      5.300     3.500     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.35791E-03 ppm1      2.213 ppm2      4.857 CV     1
 ASSI {  868}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.300     1.300 peak   868 spectrum    1 weight  0.10000E+01 volume  0.84503E-03 ppm1      2.209 ppm2      4.243 CV     1
 ASSI {  872}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak   872 spectrum    1 weight  0.10000E+01 volume  0.94241E-03 ppm1      2.052 ppm2      4.302 CV     1
 ASSI {  876}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HG2 ))
      1.800     0.400     0.400 peak   876 spectrum    1 weight  0.10000E+01 volume  0.83130E-02 ppm1      2.213 ppm2      1.468 CV     1
 ASSI {  882}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
      2.600     0.900     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.33888E-02 ppm1      1.879 ppm2      0.996 CV     1
 OR {  882}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  886}
   (( segid "    " and resid 75   and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      2.800     1.000     1.000 peak   886 spectrum    1 weight  0.10000E+01 volume  0.20867E-02 ppm1      1.701 ppm2      0.846 CV     1
 ASSI {  891}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.300     0.700     0.700 peak   891 spectrum    1 weight  0.10000E+01 volume  0.44066E-02 ppm1      1.291 ppm2      1.087 CV     1
 ASSI {  892}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HG2 ))
      1.700     0.400     0.500 peak   892 spectrum    1 weight  0.10000E+01 volume  0.13505E-01 ppm1      1.315 ppm2      0.910 CV     1
 ASSI {  900}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.900     0.900 peak   900 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      1.641 ppm2      1.809 CV     1
 ASSI {  901}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.100     1.100 peak   901 spectrum    1 weight  0.10000E+01 volume  0.29194E-02 ppm1      1.315 ppm2      1.795 CV     1
 ASSI {  903}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   903 spectrum    1 weight  0.10000E+01 volume  0.41666E-02 ppm1      1.314 ppm2      1.442 CV     1
 ASSI {  905}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.46217E-02 ppm1      1.093 ppm2      2.219 CV     1
 ASSI {  910}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.600     0.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.59211E-02 ppm1      0.844 ppm2      1.727 CV     1
 ASSI {  911}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.100     1.100 peak   911 spectrum    1 weight  0.10000E+01 volume  0.29933E-02 ppm1      0.911 ppm2      1.441 CV     1
 ASSI {  914}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.12087E-02 ppm1      1.466 ppm2      2.031 CV     1
 ASSI {  916}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.500     0.800     0.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.45802E-02 ppm1      0.836 ppm2      1.419 CV     1
 ASSI {  921}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.000     0.500     0.500 peak   921 spectrum    1 weight  0.10000E+01 volume  0.14345E-01 ppm1      1.903 ppm2      1.088 CV     1
 ASSI {  923}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.78413E-02 ppm1      1.716 ppm2      1.492 CV     1
 ASSI {  924}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak   924 spectrum    1 weight  0.10000E+01 volume  0.33132E-02 ppm1      1.537 ppm2      0.565 CV     1
 ASSI {  925}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HG12))
      1.700     0.400     0.500 peak   925 spectrum    1 weight  0.10000E+01 volume  0.80939E-02 ppm1      1.594 ppm2      1.171 CV     1
 ASSI {  927}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HD1%)
      2.300     0.600     0.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.50569E-02 ppm1      1.593 ppm2      0.883 CV     1
 ASSI {  928}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HG2 ))
      1.700     0.400     0.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.10281E-01 ppm1      1.429 ppm2      1.289 CV     1
 ASSI {  930}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
      2.200     0.600     0.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.65394E-02 ppm1      1.169 ppm2      0.885 CV     1
 ASSI {  933}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.600     0.300     0.600 peak   933 spectrum    1 weight  0.10000E+01 volume  0.72436E-02 ppm1      1.480 ppm2      1.870 CV     1
 ASSI {  934}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak   934 spectrum    1 weight  0.10000E+01 volume  0.15684E-02 ppm1      1.546 ppm2      1.880 CV     1
 ASSI {  937}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.300     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.98819E-02 ppm1      1.724 ppm2      2.022 CV     1
 OR {  937}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  938}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.100     0.600     0.600 peak   938 spectrum    1 weight  0.10000E+01 volume  0.12517E-01 ppm1      1.726 ppm2      1.867 CV     1
 OR {  938}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  939}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.100     0.600     0.600 peak   939 spectrum    1 weight  0.10000E+01 volume  0.89349E-02 ppm1      1.784 ppm2      1.918 CV     1
 ASSI {  943}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HD1%)
      2.600     0.800     0.800 peak   943 spectrum    1 weight  0.10000E+01 volume  0.23880E-02 ppm1      1.474 ppm2      0.936 CV     1
 ASSI {  956}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.200     0.600     0.600 peak   956 spectrum    1 weight  0.10000E+01 volume  0.87667E-02 ppm1      2.096 ppm2      2.495 CV     1
 OR {  956}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI {  958}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.400     0.700     0.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.52128E-02 ppm1      2.096 ppm2      4.032 CV     1
 OR {  958}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  959}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.400     0.700     0.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.55461E-02 ppm1      2.096 ppm2      3.539 CV     1
 OR {  959}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  962}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.100     1.200     1.200 peak   962 spectrum    1 weight  0.10000E+01 volume  0.18314E-02 ppm1      1.630 ppm2      3.637 CV     1
 ASSI {  964}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.12740E-02 ppm1      1.627 ppm2      3.489 CV     1
 ASSI {  965}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD1 ))
      2.900     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.12091E-02 ppm1      1.538 ppm2      3.482 CV     1
 ASSI {  966}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.300     1.400     1.400 peak   966 spectrum    1 weight  0.10000E+01 volume  0.89452E-03 ppm1      1.632 ppm2      3.048 CV     1
 ASSI {  967}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.000     1.100     1.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.19466E-02 ppm1      1.542 ppm2      3.038 CV     1
 ASSI {  971}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.15931E-02 ppm1      1.430 ppm2      3.596 CV     1
 ASSI {  976}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak   976 spectrum    1 weight  0.10000E+01 volume  0.11738E-02 ppm1      1.533 ppm2      4.589 CV     1
 ASSI {  980}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 49   and name HA  ))
      4.500     2.500     1.500 peak   980 spectrum    1 weight  0.10000E+01 volume  0.49912E-03 ppm1      1.590 ppm2      3.919 CV     1
 ASSI {  987}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      3.800     1.800     1.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.15613E-02 ppm1      1.534 ppm2      9.394 CV     1
 ASSI {  989}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   989 spectrum    1 weight  0.10000E+01 volume  0.15100E-02 ppm1      1.591 ppm2      8.904 CV     1
 ASSI {  990}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      5.200     3.400     0.800 peak   990 spectrum    1 weight  0.10000E+01 volume  0.50532E-03 ppm1      2.091 ppm2      8.629 CV     1
 OR {  990}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  991}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 63   and name HN  ))
      5.100     3.300     0.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.37641E-03 ppm1      2.095 ppm2      8.406 CV     1
 OR {  991}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  992}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.800     2.900     1.200 peak   992 spectrum    1 weight  0.10000E+01 volume  0.54700E-03 ppm1      1.624 ppm2      9.010 CV     1
 ASSI {  994}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.600     0.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.33451E-02 ppm1      1.796 ppm2      8.470 CV     1
 ASSI {  995}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HN  ))
      3.500     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.20871E-02 ppm1      1.214 ppm2      8.469 CV     1
 ASSI { 1007}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.13640E-02 ppm1      1.961 ppm2      4.243 CV     1
 ASSI { 1008}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.300     1.300 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.13058E-02 ppm1      1.715 ppm2      4.240 CV     1
 ASSI { 1011}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.30110E-03 ppm1      1.791 ppm2      3.904 CV     1
 ASSI { 1012}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.22838E-02 ppm1      1.794 ppm2      3.763 CV     1
 ASSI { 1013}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.800     0.800 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.25678E-02 ppm1      1.212 ppm2      3.766 CV     1
 ASSI { 1017}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD2 ))
      2.700     0.900     0.900 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      1.677 ppm2      3.338 CV     1
 OR { 1017}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
 ASSI { 1018}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.11916E-02 ppm1      1.626 ppm2      3.327 CV     1
 ASSI { 1023}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      3.300     1.400     1.400 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.15533E-02 ppm1      1.715 ppm2      2.194 CV     1
 ASSI { 1024}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.20213E-02 ppm1      1.626 ppm2      2.203 CV     1
 ASSI { 1025}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HG1 ))
      1.700     0.300     0.500 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.96885E-02 ppm1      1.711 ppm2      1.971 CV     1
 ASSI { 1026}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HG1 ))
      1.800     0.400     0.400 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.10762E-01 ppm1      1.678 ppm2      1.912 CV     1
 ASSI { 1027}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HG1 ))
      1.800     0.400     0.400 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.58722E-02 ppm1      1.627 ppm2      1.923 CV     1
 ASSI { 1028}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.24365E-02 ppm1      1.621 ppm2      1.813 CV     1
 ASSI { 1031}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      3.100     1.200     1.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.17206E-02 ppm1      1.215 ppm2      1.907 CV     1
 ASSI { 1032}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HG11))
      1.600     0.300     0.600 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.10293E-01 ppm1      1.215 ppm2      1.798 CV     1
 ASSI { 1034}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.000     1.000 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.40740E-02 ppm1      1.943 ppm2      2.196 CV     1
 ASSI { 1041}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
      2.900     1.100     1.100 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.11222E-02 ppm1      1.799 ppm2      1.062 CV     1
 OR { 1041}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1051}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      1.700     0.400     0.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.12773E-01 ppm1      2.205 ppm2      2.335 CV     1
 ASSI { 1052}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB1 ))
      1.600     0.300     0.600 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.22020E-01 ppm1      2.133 ppm2      2.212 CV     1
 ASSI { 1054}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      2.300     0.600     0.600 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.11781E-01 ppm1      2.133 ppm2      2.449 CV     1
 OR { 1054}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1055}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
      2.600     0.800     0.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.27889E-02 ppm1      2.110 ppm2      2.621 CV     1
 ASSI { 1057}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.400     0.700     0.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.41545E-02 ppm1      2.204 ppm2      2.560 CV     1
 ASSI { 1060}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.300     0.700     0.700 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.44947E-02 ppm1      2.348 ppm2      2.681 CV     1
 ASSI { 1061}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.900     1.100     1.100 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.36766E-02 ppm1      2.313 ppm2      2.685 CV     1
 ASSI { 1063}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
      2.700     0.900     0.900 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.42441E-02 ppm1      2.330 ppm2      2.433 CV     1
 ASSI { 1069}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.28997E-02 ppm1      2.338 ppm2      4.341 CV     1
 ASSI { 1072}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.27643E-02 ppm1      2.233 ppm2      4.188 CV     1
 ASSI { 1079}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.33141E-02 ppm1      2.202 ppm2      4.250 CV     1
 ASSI { 1084}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.81036E-03 ppm1      2.349 ppm2      8.106 CV     1
 ASSI { 1085}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.28439E-02 ppm1      2.349 ppm2      8.605 CV     1
 ASSI { 1086}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.600     1.600     1.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.25815E-02 ppm1      2.331 ppm2      8.472 CV     1
 ASSI { 1089}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.33638E-02 ppm1      2.205 ppm2      8.473 CV     1
 ASSI { 1091}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.27705E-02 ppm1      2.110 ppm2      8.260 CV     1
 ASSI { 1092}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.23567E-02 ppm1      2.216 ppm2      9.628 CV     1
 ASSI { 1098}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 35   and name HD% )
      4.500     2.500     1.500 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.44343E-03 ppm1      1.871 ppm2      7.241 CV     1
 ASSI { 1099}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.900     3.000     1.100 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.56315E-03 ppm1      1.475 ppm2      7.004 CV     1
 ASSI { 1100}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 35   and name HD% )
      5.000     3.200     1.000 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.30003E-03 ppm1      1.472 ppm2      7.238 CV     1
 ASSI { 1101}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.85728E-03 ppm1      2.202 ppm2      9.637 CV     1
 ASSI { 1105}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.12941E-02 ppm1      1.628 ppm2      8.981 CV     1
 ASSI { 1106}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.17245E-02 ppm1      1.817 ppm2      8.430 CV     1
 ASSI { 1108}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      4.300     2.300     1.700 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.75563E-03 ppm1      1.626 ppm2      7.778 CV     1
 ASSI { 1110}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.500     2.500     1.500 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.46023E-03 ppm1      1.443 ppm2      7.375 CV     1
 ASSI { 1111}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.22616E-02 ppm1      2.064 ppm2      8.758 CV     1
 ASSI { 1113}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.800     2.900     1.200 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.32645E-03 ppm1      2.414 ppm2      9.182 CV     1
 ASSI { 1114}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.500     1.500     1.500 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.59412E-03 ppm1      2.293 ppm2      9.176 CV     1
 ASSI { 1117}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.17968E-02 ppm1      2.046 ppm2      8.533 CV     1
 ASSI { 1118}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.19474E-02 ppm1      2.007 ppm2      8.172 CV     1
 ASSI { 1120}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      4.300     2.300     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.72328E-03 ppm1      2.013 ppm2      7.975 CV     1
 ASSI { 1125}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.67539E-03 ppm1      2.410 ppm2      7.906 CV     1
 ASSI { 1126}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.300     1.400     1.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      2.243 ppm2      7.869 CV     1
 ASSI { 1128}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.800     2.900     1.200 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.27702E-03 ppm1      1.448 ppm2      6.818 CV     1
 ASSI { 1129}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.500     1.500     1.500 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.73151E-03 ppm1      2.056 ppm2      7.231 CV     1
 ASSI { 1130}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.77353E-03 ppm1      2.022 ppm2      7.237 CV     1
 ASSI { 1133}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.400     1.500     1.500 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.50567E-03 ppm1      2.075 ppm2      7.315 CV     1
 OR { 1133}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1137}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.500     1.500 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.11327E-02 ppm1      1.816 ppm2      4.674 CV     1
 ASSI { 1140}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.20806E-02 ppm1      2.100 ppm2      4.379 CV     1
 ASSI { 1144}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.17156E-02 ppm1      2.026 ppm2      4.593 CV     1
 ASSI { 1146}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.15052E-02 ppm1      2.006 ppm2      4.241 CV     1
 ASSI { 1147}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.000     1.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.13879E-02 ppm1      2.189 ppm2      4.246 CV     1
 ASSI { 1150}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.700     1.700     1.700 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.50959E-03 ppm1      2.291 ppm2      4.538 CV     1
 ASSI { 1151}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      4.000     2.000     2.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.46979E-03 ppm1      2.415 ppm2      4.523 CV     1
 ASSI { 1153}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      4.600     2.600     1.400 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.78290E-03 ppm1      2.196 ppm2      3.937 CV     1
 ASSI { 1157}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.15490E-02 ppm1      2.063 ppm2      3.598 CV     1
 ASSI { 1160}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.10771E-02 ppm1      1.627 ppm2      3.639 CV     1
 ASSI { 1161}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      4.200     2.200     1.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.50836E-03 ppm1      1.624 ppm2      3.478 CV     1
 ASSI { 1165}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD1 ))
      4.500     2.500     1.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.50955E-03 ppm1      2.008 ppm2      3.439 CV     1
 ASSI { 1167}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
      3.200     1.300     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.13273E-02 ppm1      2.029 ppm2      3.236 CV     1
 OR { 1167}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1168}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
      3.500     1.500     1.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.94328E-03 ppm1      2.060 ppm2      3.219 CV     1
 OR { 1168}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1173}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD1 ))
      3.800     1.800     1.800 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.61140E-03 ppm1      2.187 ppm2      3.443 CV     1
 ASSI { 1176}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
      3.500     1.500     1.500 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.65800E-03 ppm1      1.814 ppm2      3.003 CV     1
 OR { 1176}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI { 1177}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.600     1.700     1.700 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.78686E-03 ppm1      1.625 ppm2      3.039 CV     1
 ASSI { 1178}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.500     1.500     1.500 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.63974E-03 ppm1      1.448 ppm2      2.965 CV     1
 ASSI { 1179}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.400     0.400 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.69380E-02 ppm1      1.815 ppm2      2.202 CV     1
 ASSI { 1180}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
      4.300     2.400     1.700 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.39032E-03 ppm1      1.822 ppm2      2.448 CV     1
 OR { 1180}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 1181}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      2.200     0.600     0.600 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.21051E-02 ppm1      1.628 ppm2      1.876 CV     1
 ASSI { 1186}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.600     0.800     0.800 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.45878E-02 ppm1      2.099 ppm2      2.482 CV     1
 ASSI { 1187}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      3.000     1.100     1.100 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.43094E-02 ppm1      2.106 ppm2      2.380 CV     1
 ASSI { 1188}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.500     0.800     0.800 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.76335E-02 ppm1      2.054 ppm2      2.378 CV     1
 OR { 1188}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1189}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.600     0.900     0.900 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.62210E-02 ppm1      2.248 ppm2      2.486 CV     1
 ASSI { 1190}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
      2.600     0.800     0.800 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.41578E-02 ppm1      2.255 ppm2      2.426 CV     1
 ASSI { 1197}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.800     1.000     1.000 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.13265E-02 ppm1      1.824 ppm2      1.927 CV     1
 ASSI { 1199}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.900     0.400     0.400 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.75610E-02 ppm1      2.408 ppm2      2.293 CV     1
 ASSI { 1203}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.900     1.100     1.100 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      2.060 ppm2      1.430 CV     1
 ASSI { 1205}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.900     1.000     1.000 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.11006E-02 ppm1      2.030 ppm2      1.291 CV     1
 ASSI { 1207}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
      3.500     1.500     1.500 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.12705E-02 ppm1      2.063 ppm2      1.284 CV     1
 ASSI { 1208}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      3.400     3.400     2.600 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.32091E-03 ppm1      1.878 ppm2      1.279 CV     1
 ASSI { 1211}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      5.100     3.200     0.900 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.57282E-03 ppm1      1.871 ppm2      0.520 CV     1
 ASSI { 1213}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.600     2.600     1.400 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.46393E-03 ppm1      1.632 ppm2      1.084 CV     1
 ASSI { 1214}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      4.900     3.100     1.100 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.22976E-03 ppm1      1.629 ppm2      0.512 CV     1
 ASSI { 1218}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.300     1.300 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.24647E-02 ppm1      2.330 ppm2      8.471 CV     1
 OR { 1218}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 1223}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.18026E-02 ppm1      2.027 ppm2      7.921 CV     1
 ASSI { 1225}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 68   and name HN  ))
      4.300     2.300     1.700 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.56917E-03 ppm1      2.028 ppm2      7.747 CV     1
 ASSI { 1226}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.59710E-03 ppm1      1.874 ppm2      7.751 CV     1
 ASSI { 1227}
   (( segid "    " and resid 55   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.300     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.55693E-03 ppm1      1.791 ppm2      7.372 CV     1
 ASSI { 1231}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      3.100     1.200     1.200 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.80337E-03 ppm1      1.792 ppm2      4.297 CV     1
 ASSI { 1233}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.79792E-03 ppm1      1.447 ppm2      4.299 CV     1
 ASSI { 1236}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
      3.000     1.100     1.100 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.21820E-02 ppm1      1.874 ppm2      3.251 CV     1
 OR { 1236}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1237}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      5.300     3.500     0.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.30913E-03 ppm1      2.025 ppm2      3.946 CV     1
 ASSI { 1241}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.11661E-02 ppm1      1.797 ppm2      0.917 CV     1
 ASSI { 1242}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.800     0.400     0.400 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.83567E-02 ppm1      1.795 ppm2      1.445 CV     1
 ASSI { 1250}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.500     1.500 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.10146E-02 ppm1      1.875 ppm2      1.080 CV     1
 OR { 1250}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 1255}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      4.700     2.800     1.300 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.14263E-02 ppm1      2.256 ppm2      0.522 CV     1
 ASSI { 1257}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      3.700     1.700     1.700 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      2.254 ppm2      0.847 CV     1
 ASSI { 1258}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.500     1.500 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.34573E-03 ppm1      2.028 ppm2      0.843 CV     1
 ASSI { 1259}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.100     1.200     1.200 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.22111E-02 ppm1      2.080 ppm2      1.001 CV     1
 OR { 1259}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1261}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.000     1.000 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.20682E-02 ppm1      2.254 ppm2      1.466 CV     1
 ASSI { 1263}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      4.000     2.000     2.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.11045E-02 ppm1      2.496 ppm2      1.003 CV     1
 OR { 1263}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1264}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HB2 ))
      1.600     0.300     0.600 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.26737E-01 ppm1      2.497 ppm2      2.084 CV     1
 OR { 1264}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
 OR { 1264}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 1269}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.200     2.200     1.800 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.66392E-03 ppm1      2.843 ppm2      2.224 CV     1
 ASSI { 1270}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.900     3.000     1.100 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.60589E-03 ppm1      2.731 ppm2      2.225 CV     1
 ASSI { 1271}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.900     0.400     0.400 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.57200E-02 ppm1      2.032 ppm2      2.244 CV     1
 OR { 1271}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 1272}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.600     0.300     0.600 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.16101E-01 ppm1      2.083 ppm2      2.496 CV     1
 ASSI { 1273}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG1 ))
      2.200     0.600     0.600 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.12661E-01 ppm1      2.335 ppm2      2.842 CV     1
 OR { 1273}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI { 1274}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.000     0.500     0.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.12687E-01 ppm1      2.335 ppm2      2.728 CV     1
 OR { 1274}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1278}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.900     1.900     1.900 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.20642E-02 ppm1      2.253 ppm2      3.380 CV     1
 ASSI { 1283}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      3.700     1.700     1.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.16270E-02 ppm1      2.079 ppm2      4.035 CV     1
 ASSI { 1284}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.300     1.300 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.16409E-02 ppm1      2.083 ppm2      4.532 CV     1
 ASSI { 1285}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.400     0.700     0.700 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.27079E-02 ppm1      2.255 ppm2      4.240 CV     1
 ASSI { 1287}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      3.900     1.900     1.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.12333E-02 ppm1      2.498 ppm2      4.033 CV     1
 ASSI { 1291}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.500     1.500     1.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.74447E-03 ppm1      2.255 ppm2      7.313 CV     1
 ASSI { 1295}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.98849E-03 ppm1      2.086 ppm2      7.549 CV     1
 ASSI { 1296}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.500     2.500     1.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.43332E-03 ppm1      2.495 ppm2      7.549 CV     1
 ASSI { 1297}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.800     1.800     1.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.13786E-02 ppm1      2.498 ppm2      8.629 CV     1
 ASSI { 1298}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.600     1.600     1.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.86473E-03 ppm1      2.497 ppm2      8.408 CV     1
 ASSI { 1299}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.20305E-02 ppm1      2.844 ppm2      8.265 CV     1
 ASSI { 1301}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.400     1.400 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.47576E-03 ppm1      2.844 ppm2      8.472 CV     1
 ASSI { 1302}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.300     2.300     1.700 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.61099E-03 ppm1      2.732 ppm2      8.466 CV     1
 ASSI { 1303}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      4.300     2.300     1.700 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.67493E-03 ppm1      2.080 ppm2      8.624 CV     1
 ASSI { 1304}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.400     1.400     1.400 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.10467E-02 ppm1      2.084 ppm2      8.407 CV     1
 ASSI { 1305}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.300     2.400     1.700 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.66865E-03 ppm1      2.252 ppm2      8.983 CV     1
 ASSI { 1307}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.56618E-03 ppm1      2.328 ppm2      7.407 CV     1
 ASSI { 1310}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      3.100     1.200     1.200 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.14256E-02 ppm1      2.324 ppm2      9.173 CV     1
 ASSI { 1311}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.700     1.700     1.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.37983E-03 ppm1      2.329 ppm2      7.022 CV     1
 ASSI { 1312}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.800     0.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.35535E-02 ppm1      2.327 ppm2      4.526 CV     1
 ASSI { 1316}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.500     1.600     1.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.41880E-03 ppm1      2.316 ppm2      1.689 CV     1
 ASSI { 1317}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG2%)
      2.100     0.500     0.500 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.13575E-01 ppm1      2.326 ppm2      1.083 CV     1
 OR { 1317}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 1320}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 81   and name HB% )
      3.300     1.400     1.400 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.97630E-03 ppm1      2.106 ppm2      1.630 CV     1
 ASSI { 1322}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HA  ))
      2.400     0.700     0.700 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.50477E-02 ppm1      2.102 ppm2      4.546 CV     1
 ASSI { 1325}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      3.500     1.500     1.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.17712E-02 ppm1      2.101 ppm2      7.249 CV     1
 ASSI { 1327}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.300     0.600     0.600 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.40751E-02 ppm1      2.102 ppm2      8.424 CV     1
 ASSI { 1328}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      5.100     3.200     0.900 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.53249E-03 ppm1      2.355 ppm2      8.101 CV     1
 ASSI { 1332}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.17751E-02 ppm1      2.351 ppm2      4.205 CV     1
 ASSI { 1338}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.33459E-02 ppm1      2.451 ppm2      9.627 CV     1
 OR { 1338}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HN  ))
 ASSI { 1339}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.600     1.700     1.700 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.38429E-03 ppm1      2.355 ppm2      8.905 CV     1
 ASSI { 1341}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.25970E-02 ppm1      2.685 ppm2      8.603 CV     1
 ASSI { 1345}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.600     1.600 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.22144E-02 ppm1      2.351 ppm2      8.602 CV     1
 ASSI { 1346}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.900     1.200 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.40438E-03 ppm1      2.683 ppm2      8.107 CV     1
 ASSI { 1349}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.900     3.000     1.100 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.36691E-03 ppm1      2.560 ppm2      7.908 CV     1
 ASSI { 1350}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.44277E-03 ppm1      2.554 ppm2      7.413 CV     1
 ASSI { 1351}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.400     2.500     1.600 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.44842E-03 ppm1      2.492 ppm2      7.408 CV     1
 ASSI { 1361}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.600     0.300     0.600 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.14592E-01 ppm1      2.686 ppm2      2.347 CV     1
 OR { 1361}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1363}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB1 ))
      2.600     0.900     0.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.59448E-02 ppm1      2.560 ppm2      2.331 CV     1
 ASSI { 1365}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HG1 ))
      1.600     0.300     0.600 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.11827E-01 ppm1      2.350 ppm2      2.684 CV     1
 ASSI { 1366}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HG1 ))
      1.600     0.300     0.600 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.23025E-01 ppm1      2.439 ppm2      2.564 CV     1
 ASSI { 1371}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.500     0.800     0.800 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.68984E-02 ppm1      2.387 ppm2      2.223 CV     1
 OR { 1371}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1374}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HG2 ))
      1.500     0.300     0.700 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.50998E-01 ppm1      2.494 ppm2      2.415 CV     1
 ASSI { 1380}
   (( segid "    " and resid 47   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
      3.400     1.400     1.400 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.34632E-03 ppm1      2.560 ppm2      1.062 CV     1
 ASSI { 1381}
   (( segid "    " and resid 47   and name HG2 ))
   (  segid "    " and resid 43   and name HD1%)
      3.600     1.600     1.600 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.78963E-03 ppm1      2.442 ppm2      1.042 CV     1
 ASSI { 1384}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 43   and name HG  ))
      3.900     1.900     1.900 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.29315E-03 ppm1      2.560 ppm2      1.779 CV     1
 ASSI { 1385}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD22))
      3.400     1.400     1.400 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.26837E-02 ppm1      3.104 ppm2      7.663 CV     1
 ASSI { 1386}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      2.900     1.100     1.100 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.12293E-02 ppm1      3.103 ppm2      7.484 CV     1
 ASSI { 1396}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.13231E-02 ppm1      2.373 ppm2      8.259 CV     1
 ASSI { 1399}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.100     1.100 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.16739E-02 ppm1      3.105 ppm2      4.891 CV     1
 ASSI { 1400}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      4.400     2.400     1.600 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.12171E-02 ppm1      3.101 ppm2      4.501 CV     1
 ASSI { 1402}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.18738E-02 ppm1      2.799 ppm2      4.891 CV     1
 ASSI { 1411}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.300     1.300     1.300 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.93243E-03 ppm1      3.101 ppm2      0.904 CV     1
 ASSI { 1415}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      3.000     1.100     1.100 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.39359E-02 ppm1      2.624 ppm2      2.232 CV     1
 ASSI { 1417}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.400     0.700     0.700 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.53872E-02 ppm1      2.374 ppm2      2.235 CV     1
 ASSI { 1425}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.500     0.800     0.800 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.31436E-02 ppm1      3.125 ppm2      7.245 CV     1
 ASSI { 1428}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.15025E-02 ppm1      3.126 ppm2      9.627 CV     1
 ASSI { 1429}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      4.000     2.000     2.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.96741E-03 ppm1      3.446 ppm2      9.626 CV     1
 ASSI { 1430}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.600     1.600     1.600 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.14626E-02 ppm1      3.444 ppm2      8.188 CV     1
 ASSI { 1431}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.600     0.800     0.800 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.29028E-02 ppm1      3.448 ppm2      7.245 CV     1
 ASSI { 1434}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.25848E-02 ppm1      3.384 ppm2      7.601 CV     1
 ASSI { 1435}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.59031E-03 ppm1      3.384 ppm2      7.300 CV     1
 OR { 1435}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1437}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.11451E-02 ppm1      3.381 ppm2      8.979 CV     1
 ASSI { 1440}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      5.100     3.300     0.900 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.50825E-03 ppm1      3.383 ppm2      4.234 CV     1
 ASSI { 1443}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.17722E-02 ppm1      3.447 ppm2      2.886 CV     1
 OR { 1443}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1444}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HB2 ))
      4.500     2.500     1.500 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.78932E-03 ppm1      3.124 ppm2      2.894 CV     1
 OR { 1444}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1445}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      3.000     1.200     1.200 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.12714E-02 ppm1      1.912 ppm2      3.906 CV     1
 ASSI { 1446}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.25268E-02 ppm1      1.909 ppm2      3.764 CV     1
 ASSI { 1448}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.500     1.500     1.500 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.40418E-02 ppm1      3.382 ppm2      2.239 CV     1
 OR { 1448}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 1449}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.000     0.500     0.500 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.45564E-02 ppm1      3.381 ppm2      2.031 CV     1
 ASSI { 1452}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.300     1.300     1.300 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.88449E-03 ppm1      3.382 ppm2      1.471 CV     1
 ASSI { 1454}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.000     1.200     1.200 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.19623E-02 ppm1      3.383 ppm2      1.294 CV     1
 ASSI { 1455}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.200     1.300     1.300 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.67518E-02 ppm1      3.381 ppm2      0.522 CV     1
 ASSI { 1458}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.400     1.400 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.74807E-03 ppm1      1.906 ppm2      0.562 CV     1
 ASSI { 1459}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      2.800     1.000     1.000 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.25006E-02 ppm1      1.922 ppm2      0.873 CV     1
 ASSI { 1466}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.31114E-02 ppm1      1.908 ppm2      1.792 CV     1
 ASSI { 1469}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.700     2.700     1.300 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.64638E-03 ppm1      1.918 ppm2      4.030 CV     1
 ASSI { 1470}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.800     2.900     1.200 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.42806E-03 ppm1      1.918 ppm2      3.540 CV     1
 ASSI { 1471}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.200     1.200 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.13042E-02 ppm1      1.921 ppm2      4.487 CV     1
 ASSI { 1480}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HD% )
      3.800     1.800     1.800 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.55019E-03 ppm1      2.333 ppm2      7.009 CV     1
 ASSI { 1482}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.300     2.300     1.700 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.61999E-03 ppm1      3.442 ppm2      7.256 CV     1
 ASSI { 1485}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     1.600     1.600 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.21902E-02 ppm1      3.441 ppm2      8.014 CV     1
 ASSI { 1487}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.900     3.000     1.100 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.37574E-03 ppm1      2.881 ppm2      6.806 CV     1
 ASSI { 1489}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.600     0.900     0.900 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.31476E-02 ppm1      3.443 ppm2      4.799 CV     1
 ASSI { 1491}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HB2 ))
      1.700     0.300     0.500 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.14234E-01 ppm1      3.442 ppm2      2.876 CV     1
 ASSI { 1496}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG11))
      2.400     0.700     0.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.26235E-02 ppm1      2.334 ppm2      1.870 CV     1
 ASSI { 1497}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG12))
      3.400     1.400     1.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.93150E-03 ppm1      2.337 ppm2      1.484 CV     1
 ASSI { 1500}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 26   and name HD1%)
      3.600     1.600     1.600 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.55353E-03 ppm1      2.328 ppm2      0.672 CV     1
 ASSI { 1512}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      1.700     0.400     0.500 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.22442E-01 ppm1      2.723 ppm2      2.872 CV     1
 ASSI { 1513}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB1 ))
      1.700     0.300     0.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.28283E-01 ppm1      2.662 ppm2      2.884 CV     1
 ASSI { 1515}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB1 ))
      1.700     0.300     0.500 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.14817E-01 ppm1      3.067 ppm2      3.352 CV     1
 ASSI { 1518}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.39683E-02 ppm1      3.068 ppm2      4.693 CV     1
 ASSI { 1521}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.30917E-02 ppm1      2.882 ppm2      4.818 CV     1
 ASSI { 1522}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     0.900     0.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.27544E-02 ppm1      2.661 ppm2      4.818 CV     1
 ASSI { 1524}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.800     0.800 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.50770E-02 ppm1      2.722 ppm2      4.635 CV     1
 ASSI { 1527}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      4.600     2.700     1.400 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.53126E-03 ppm1      2.902 ppm2      6.759 CV     1
 OR { 1527}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
 ASSI { 1528}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.400     0.700     0.700 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.38952E-02 ppm1      3.066 ppm2      7.325 CV     1
 ASSI { 1536}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      3.100     1.200     1.200 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.11578E-02 ppm1      2.780 ppm2      7.944 CV     1
 ASSI { 1537}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.800     1.800     1.800 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.15177E-02 ppm1      2.718 ppm2      7.940 CV     1
 ASSI { 1539}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      3.800     1.800     1.800 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.14207E-02 ppm1      2.996 ppm2      0.585 CV     1
 ASSI { 1540}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
      3.600     1.600     1.600 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.14504E-02 ppm1      2.998 ppm2      1.541 CV     1
 OR { 1540}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1541}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
      3.300     1.400     1.400 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.13819E-02 ppm1      2.624 ppm2      1.545 CV     1
 OR { 1541}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1546}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      2.900     1.000     1.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.28272E-02 ppm1      1.407 ppm2      0.579 CV     1
 ASSI { 1548}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      2.700     0.900     0.900 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.31456E-02 ppm1      1.489 ppm2      0.806 CV     1
 ASSI { 1549}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      3.800     1.800     1.800 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.17073E-02 ppm1      1.488 ppm2      0.667 CV     1
 ASSI { 1556}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 43   and name HD1%)
      2.800     1.000     1.000 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.31273E-02 ppm1      1.797 ppm2      1.037 CV     1
 ASSI { 1558}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
      1.700     0.400     0.500 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.94544E-02 ppm1      1.808 ppm2      1.408 CV     1
 ASSI { 1560}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.700     0.400     0.500 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.13224E-01 ppm1      2.996 ppm2      2.626 CV     1
 ASSI { 1562}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.700     0.400     0.500 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.11954E-01 ppm1      1.487 ppm2      1.339 CV     1
 ASSI { 1563}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HG  ))
      2.700     0.900     0.900 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.54777E-02 ppm1      1.340 ppm2      1.583 CV     1
 ASSI { 1566}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      2.600     0.900     0.900 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.54489E-02 ppm1      1.405 ppm2      1.628 CV     1
 ASSI { 1567}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HB2 ))
      1.500     0.300     0.700 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.28624E-01 ppm1      1.920 ppm2      1.799 CV     1
 OR { 1567}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HG  ))
 ASSI { 1568}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB1 ))
      1.500     0.300     0.700 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.24167E-01 ppm1      1.803 ppm2      1.921 CV     1
 ASSI { 1571}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     1.100     1.100 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.30232E-02 ppm1      1.922 ppm2      4.267 CV     1
 ASSI { 1573}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.14954E-02 ppm1      1.405 ppm2      4.211 CV     1
 ASSI { 1579}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.70121E-02 ppm1      2.695 ppm2      4.597 CV     1
 OR { 1579}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 1583}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.27621E-02 ppm1      2.733 ppm2      4.717 CV     1
 ASSI { 1584}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.20348E-02 ppm1      2.995 ppm2      7.933 CV     1
 ASSI { 1586}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.55801E-02 ppm1      2.694 ppm2      8.178 CV     1
 OR { 1586}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 1587}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.15047E-02 ppm1      2.626 ppm2      7.934 CV     1
 ASSI { 1590}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.30850E-02 ppm1      1.811 ppm2      8.412 CV     1
 ASSI { 1595}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.39850E-02 ppm1      1.803 ppm2      7.915 CV     1
 ASSI { 1596}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.000     1.000 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.15227E-02 ppm1      1.338 ppm2      8.480 CV     1
 ASSI { 1597}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.900     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.29713E-02 ppm1      1.404 ppm2      8.412 CV     1
 ASSI { 1598}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      1.403 ppm2      8.269 CV     1
 ASSI { 1601}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.27284E-02 ppm1      2.734 ppm2      8.588 CV     1
 ASSI { 1602}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.600     2.600     1.400 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.55245E-03 ppm1      2.732 ppm2      8.482 CV     1
 ASSI { 1604}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.800     0.800 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.49632E-02 ppm1      2.763 ppm2      8.629 CV     1
 OR { 1604}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1605}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.200     1.300     1.300 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.19460E-02 ppm1      2.762 ppm2      8.408 CV     1
 OR { 1605}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1606}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.15817E-02 ppm1      2.627 ppm2      9.176 CV     1
 ASSI { 1608}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
      1.600     0.300     0.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.30709E-01 ppm1      2.734 ppm2      2.866 CV     1
 ASSI { 1610}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.20106E-02 ppm1      1.088 ppm2      7.604 CV     1
 ASSI { 1612}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      3.264 ppm2      8.252 CV     1
 ASSI { 1614}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.19374E-02 ppm1      2.877 ppm2      8.254 CV     1
 ASSI { 1616}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.35746E-02 ppm1      2.372 ppm2      8.016 CV     1
 ASSI { 1617}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.36901E-02 ppm1      2.246 ppm2      8.543 CV     1
 ASSI { 1619}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.19156E-02 ppm1      2.205 ppm2      8.759 CV     1
 ASSI { 1623}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.300     1.300 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.39540E-02 ppm1      1.932 ppm2      8.291 CV     1
 ASSI { 1627}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      4.000     2.000     2.000 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.13727E-02 ppm1      1.646 ppm2      8.434 CV     1
 ASSI { 1628}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     2.500     3.500 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.23122E-02 ppm1      1.407 ppm2      8.543 CV     1
 ASSI { 1629}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.98186E-03 ppm1      1.458 ppm2      8.432 CV     1
 ASSI { 1631}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      2.800     1.000     1.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.10489E-02 ppm1      1.671 ppm2      6.911 CV     1
 ASSI { 1632}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.300     1.300 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.34624E-02 ppm1      1.651 ppm2      7.603 CV     1
 ASSI { 1633}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.64221E-03 ppm1      3.258 ppm2      7.915 CV     1
 ASSI { 1635}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      5.100     3.200     0.900 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.44633E-03 ppm1      1.080 ppm2      9.011 CV     1
 ASSI { 1636}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      4.300     2.300     1.700 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.63851E-03 ppm1      2.450 ppm2      6.915 CV     1
 ASSI { 1637}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     1.100     1.100 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.36378E-02 ppm1      3.045 ppm2      5.045 CV     1
 ASSI { 1643}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.20690E-02 ppm1      2.203 ppm2      4.188 CV     1
 ASSI { 1647}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.16584E-02 ppm1      2.044 ppm2      3.640 CV     1
 ASSI { 1648}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     2.300     1.700 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.90347E-03 ppm1      1.932 ppm2      3.600 CV     1
 ASSI { 1654}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.13965E-02 ppm1      1.648 ppm2      3.381 CV     1
 ASSI { 1655}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.15713E-02 ppm1      1.087 ppm2      3.383 CV     1
 ASSI { 1657}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.700     0.400     0.500 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.19634E-01 ppm1      2.372 ppm2      3.044 CV     1
 ASSI { 1658}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      1.800     0.400     0.400 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.14836E-01 ppm1      2.878 ppm2      3.262 CV     1
 ASSI { 1662}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.700     0.300     0.500 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.88937E-02 ppm1      1.662 ppm2      2.202 CV     1
 ASSI { 1665}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      1.700     0.400     0.500 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.10470E-01 ppm1      1.406 ppm2      2.245 CV     1
 ASSI { 1666}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
      2.600     0.800     0.800 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.18819E-02 ppm1      1.407 ppm2      2.055 CV     1
 ASSI { 1668}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.900     0.400     0.400 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.58820E-02 ppm1      1.460 ppm2      1.927 CV     1
 ASSI { 1670}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      4.800     2.900     1.200 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.14778E-02 ppm1      1.082 ppm2      1.883 CV     1
 ASSI { 1673}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.700     0.300     0.500 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.10909E-01 ppm1      2.044 ppm2      1.653 CV     1
 ASSI { 1676}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HB2 ))
      1.700     0.300     0.500 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.93325E-02 ppm1      2.448 ppm2      1.687 CV     1
 ASSI { 1682}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      2.400     0.700     0.700 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.53280E-02 ppm1      2.448 ppm2      1.043 CV     1
 OR { 1682}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1682}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1689}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      2.500     0.800     0.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.46960E-02 ppm1      2.044 ppm2      0.827 CV     1
 OR { 1689}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1697}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      3.600     1.600     1.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.21320E-02 ppm1      1.080 ppm2      0.815 CV     1
 ASSI { 1699}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      2.800     1.000     1.000 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.21101E-02 ppm1      1.460 ppm2      0.849 CV     1
 ASSI { 1703}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HG  ))
      3.000     1.100     1.100 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.26797E-02 ppm1      1.652 ppm2      1.286 CV     1
 ASSI { 1704}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HG  ))
      2.600     0.800     0.800 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.28721E-02 ppm1      1.931 ppm2      1.745 CV     1
 ASSI { 1705}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.400     0.700     0.700 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.31168E-02 ppm1      2.206 ppm2      1.898 CV     1
 ASSI { 1707}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.46551E-02 ppm1      3.484 ppm2      1.629 CV     1
 OR { 1707}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 1708}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.800     1.800     1.800 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.92224E-03 ppm1      3.483 ppm2      1.878 CV     1
 ASSI { 1709}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HD2 ))
      1.700     0.400     0.500 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.11913E-01 ppm1      3.484 ppm2      3.043 CV     1
 ASSI { 1710}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.500     1.600     1.600 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.98994E-03 ppm1      3.067 ppm2      1.448 CV     1
 ASSI { 1712}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
      3.000     1.100     1.100 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.25664E-02 ppm1      3.066 ppm2      1.316 CV     1
 ASSI { 1713}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.23415E-02 ppm1      2.962 ppm2      1.319 CV     1
 ASSI { 1714}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.800     0.800 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.32135E-02 ppm1      3.065 ppm2      0.910 CV     1
 ASSI { 1715}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      3.000     1.100     1.100 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.25487E-02 ppm1      2.962 ppm2      0.910 CV     1
 ASSI { 1716}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.600     0.800     0.800 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.43766E-02 ppm1      3.040 ppm2      1.629 CV     1
 OR { 1716}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1718}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.300     1.300 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.83402E-03 ppm1      3.070 ppm2      1.797 CV     1
 ASSI { 1719}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.400     1.400 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.92811E-03 ppm1      2.961 ppm2      1.797 CV     1
 ASSI { 1720}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.90156E-03 ppm1      3.036 ppm2      1.868 CV     1
 ASSI { 1727}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.000     1.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.19227E-02 ppm1      1.547 ppm2      0.566 CV     1
 ASSI { 1728}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.000     1.000 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.22364E-02 ppm1      1.453 ppm2      0.572 CV     1
 OR { 1728}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1734}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD1%)
      2.800     1.000     1.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.27613E-02 ppm1      1.803 ppm2      0.945 CV     1
 ASSI { 1735}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.700     0.400     0.500 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.11786E-01 ppm1      1.784 ppm2      1.424 CV     1
 ASSI { 1737}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.700     0.400     0.500 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.12673E-01 ppm1      1.422 ppm2      1.782 CV     1
 OR { 1737}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1739}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      1.700     0.300     0.500 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.13654E-01 ppm1      1.487 ppm2      1.617 CV     1
 ASSI { 1740}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.600     0.300     0.600 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.15628E-01 ppm1      1.576 ppm2      1.969 CV     1
 ASSI { 1741}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG  ))
      2.600     0.800     0.800 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.36127E-02 ppm1      1.574 ppm2      1.871 CV     1
 ASSI { 1744}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.22567E-02 ppm1      1.971 ppm2      4.891 CV     1
 ASSI { 1746}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.900     0.900 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.24438E-02 ppm1      1.618 ppm2      4.352 CV     1
 ASSI { 1747}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.32141E-02 ppm1      1.575 ppm2      4.275 CV     1
 ASSI { 1749}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.20872E-02 ppm1      1.549 ppm2      4.587 CV     1
 ASSI { 1750}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.19509E-02 ppm1      1.452 ppm2      4.589 CV     1
 ASSI { 1751}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.13521E-02 ppm1      1.575 ppm2      4.894 CV     1
 ASSI { 1752}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
      4.800     2.900     1.200 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.55394E-03 ppm1      1.785 ppm2      4.692 CV     1
 ASSI { 1753}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.14091E-02 ppm1      1.783 ppm2      4.355 CV     1
 ASSI { 1756}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
      3.300     1.400     1.400 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.23719E-02 ppm1      3.483 ppm2      6.920 CV     1
 OR { 1756}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1756}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI { 1757}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
      2.800     1.000     1.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.15033E-02 ppm1      3.044 ppm2      6.917 CV     1
 OR { 1757}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1757}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 1759}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.27785E-02 ppm1      1.784 ppm2      7.245 CV     1
 ASSI { 1761}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.300     1.400     1.400 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.93011E-03 ppm1      1.576 ppm2      7.958 CV     1
 ASSI { 1763}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.23141E-02 ppm1      1.579 ppm2      8.229 CV     1
 ASSI { 1765}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.900     0.900 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.24522E-02 ppm1      1.489 ppm2      8.193 CV     1
 ASSI { 1767}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.700     0.900     0.900 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.38441E-02 ppm1      3.040 ppm2      9.053 CV     1
 ASSI { 1768}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.700     0.900     0.900 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.28425E-02 ppm1      3.484 ppm2      9.051 CV     1
 ASSI { 1769}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.44198E-02 ppm1      1.989 ppm2      8.469 CV     1
 OR { 1769}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 1771}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.23030E-02 ppm1      1.549 ppm2      9.391 CV     1
 ASSI { 1773}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.92461E-03 ppm1      1.547 ppm2      9.179 CV     1
 ASSI { 1776}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.16730E-02 ppm1      1.490 ppm2      9.393 CV     1
 ASSI { 1777}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.500     1.500     1.500 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.75666E-03 ppm1      1.782 ppm2      8.433 CV     1
 ASSI { 1778}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.200     1.300     1.300 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.11965E-02 ppm1      3.429 ppm2      7.890 CV     1
 ASSI { 1779}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.200     1.200     1.200 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.12629E-02 ppm1      3.325 ppm2      7.887 CV     1
 ASSI { 1781}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
      5.000     3.100     1.000 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.45112E-03 ppm1      3.422 ppm2      8.435 CV     1
 ASSI { 1784}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.25981E-02 ppm1      2.803 ppm2      9.176 CV     1
 ASSI { 1785}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.80208E-03 ppm1      2.934 ppm2      7.405 CV     1
 ASSI { 1788}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      4.300     2.300     1.700 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.80198E-03 ppm1      1.551 ppm2      7.485 CV     1
 ASSI { 1789}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
      5.600     3.900     0.400 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.49066E-03 ppm1      1.451 ppm2      7.490 CV     1
 ASSI { 1793}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      4.700     2.800     1.300 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.43477E-03 ppm1      2.804 ppm2      4.538 CV     1
 ASSI { 1794}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      5.300     3.500     0.700 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.40154E-03 ppm1      2.939 ppm2      4.521 CV     1
 ASSI { 1795}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HA  ))
      4.500     2.500     1.500 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.59401E-03 ppm1      2.965 ppm2      4.101 CV     1
 ASSI { 1796}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.15294E-02 ppm1      3.251 ppm2      3.933 CV     1
 OR { 1796}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1799}
   (( segid "    " and resid 11   and name HD1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.64437E-03 ppm1      3.217 ppm2      4.341 CV     1
 OR { 1799}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI { 1800}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.500     1.500 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.67858E-03 ppm1      3.292 ppm2      4.234 CV     1
 ASSI { 1803}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.100     2.100     1.900 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.11702E-02 ppm1      3.252 ppm2      4.611 CV     1
 OR { 1803}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1806}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
      3.200     1.200     1.200 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      3.252 ppm2      0.997 CV     1
 OR { 1806}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1806}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1806}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1807}
   (( segid "    " and resid 34   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      5.200     3.300     0.800 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.34882E-03 ppm1      3.423 ppm2      1.018 CV     1
 ASSI { 1808}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.600     0.900     0.900 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.37775E-02 ppm1      3.434 ppm2      1.939 CV     1
 ASSI { 1809}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.15274E-02 ppm1      3.429 ppm2      1.813 CV     1
 ASSI { 1810}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.28654E-02 ppm1      3.440 ppm2      1.714 CV     1
 ASSI { 1811}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.500     0.800     0.800 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.35085E-02 ppm1      3.432 ppm2      1.630 CV     1
 ASSI { 1812}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.300     0.600     0.600 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.85146E-02 ppm1      3.253 ppm2      1.725 CV     1
 OR { 1812}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG1 ))
 OR { 1812}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HG1 ))
 OR { 1812}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1813}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.300     0.700     0.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.49200E-02 ppm1      3.305 ppm2      1.682 CV     1
 ASSI { 1814}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.27720E-02 ppm1      3.354 ppm2      1.669 CV     1
 ASSI { 1817}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.17184E-02 ppm1      3.326 ppm2      1.811 CV     1
 ASSI { 1818}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      3.000     1.100     1.100 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.26661E-02 ppm1      3.361 ppm2      2.021 CV     1
 OR { 1818}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1820}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.22251E-02 ppm1      3.304 ppm2      2.199 CV     1
 ASSI { 1822}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      1.700     0.300     0.500 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.22705E-01 ppm1      2.930 ppm2      2.802 CV     1
 ASSI { 1824}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HA  ))
      4.700     2.800     1.300 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.50812E-03 ppm1      3.428 ppm2      4.678 CV     1
 ASSI { 1835}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HA1 ))
      1.700     0.400     0.500 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.20124E-01 ppm1      3.895 ppm2      4.260 CV     1
 ASSI { 1836}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HA2 ))
      1.700     0.300     0.500 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.24585E-01 ppm1      4.248 ppm2      3.817 CV     1
 ASSI { 1838}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.400     1.400     1.400 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.57056E-03 ppm1      4.062 ppm2      2.805 CV     1
 OR { 1838}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 1838}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 1838}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 1840}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 15   and name HG1%)
      3.500     1.600     1.600 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.82065E-03 ppm1      4.062 ppm2      1.047 CV     1
 ASSI { 1842}
   (( segid "    " and resid 66   and name HA1 ))
   (  segid "    " and resid 65   and name HB% )
      4.700     2.700     1.300 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.37359E-03 ppm1      4.125 ppm2      1.454 CV     1
 ASSI { 1843}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 65   and name HB% )
      4.200     2.300     1.800 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.39313E-03 ppm1      4.007 ppm2      1.455 CV     1
 ASSI { 1846}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
      2.900     1.100     1.100 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.29214E-02 ppm1      4.041 ppm2      1.599 CV     1
 OR { 1846}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 ASSI { 1847}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.600     2.600     1.400 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.36392E-03 ppm1      4.042 ppm2      3.106 CV     1
 OR { 1847}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1848}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB2 ))
      4.500     2.500     1.500 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.39221E-03 ppm1      4.039 ppm2      2.800 CV     1
 OR { 1848}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1849}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.400     2.400     1.600 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.52570E-03 ppm1      4.035 ppm2      4.888 CV     1
 OR { 1849}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1850}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
      3.900     1.900     1.900 peak  1850 spectrum    1 weight  0.10000E+01 volume  0.74550E-03 ppm1      4.042 ppm2      4.464 CV     1
 OR { 1850}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 1853}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.38057E-02 ppm1      4.041 ppm2      7.682 CV     1
 OR { 1853}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1855}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.10845E-01 ppm1      4.099 ppm2      7.974 CV     1
 OR { 1855}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1859}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.48954E-03 ppm1      4.096 ppm2      4.538 CV     1
 OR { 1859}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI { 1860}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
      4.700     2.700     1.300 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.75347E-03 ppm1      4.102 ppm2      0.954 CV     1
 OR { 1860}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1864}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HD1 ))
      1.600     0.300     0.600 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.19253E-01 ppm1      3.539 ppm2      4.032 CV     1
 ASSI { 1867}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.000     0.500     0.500 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.96288E-02 ppm1      4.032 ppm2      4.490 CV     1
 ASSI { 1868}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HB1 ))
      4.300     2.300     1.700 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.79277E-03 ppm1      3.540 ppm2      2.493 CV     1
 ASSI { 1869}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 64   and name HB  ))
      3.200     1.300     1.300 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.11789E-02 ppm1      3.538 ppm2      2.278 CV     1
 ASSI { 1870}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.400     0.700     0.700 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.49838E-02 ppm1      3.536 ppm2      2.095 CV     1
 OR { 1870}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
 OR { 1870}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1872}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.300     0.700     0.700 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.76155E-02 ppm1      4.033 ppm2      2.097 CV     1
 OR { 1872}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
 OR { 1872}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 1877}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HG11))
      5.100     3.300     0.900 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.41448E-03 ppm1      3.542 ppm2      1.597 CV     1
 ASSI { 1878}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HG12))
      4.800     2.900     1.200 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.28456E-03 ppm1      3.535 ppm2      1.173 CV     1
 ASSI { 1880}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.100     1.200     1.200 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.15091E-02 ppm1      4.068 ppm2      1.462 CV     1
 ASSI { 1881}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.800     0.800 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.17180E-02 ppm1      3.073 ppm2      1.463 CV     1
 ASSI { 1882}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.11750E-02 ppm1      4.067 ppm2      1.022 CV     1
 ASSI { 1885}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG1 ))
      3.100     1.200     1.200 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.25507E-02 ppm1      3.073 ppm2      2.219 CV     1
 ASSI { 1886}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.81366E-03 ppm1      3.077 ppm2      2.034 CV     1
 ASSI { 1887}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.500     2.600     1.500 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.68254E-03 ppm1      4.071 ppm2      3.375 CV     1
 ASSI { 1888}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HD2 ))
      1.800     0.400     0.400 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.82610E-02 ppm1      4.066 ppm2      3.075 CV     1
 ASSI { 1889}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG1 ))
      2.300     0.700     0.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.31329E-02 ppm1      4.065 ppm2      2.221 CV     1
 ASSI { 1890}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
      4.200     2.200     1.800 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.68326E-03 ppm1      4.069 ppm2      2.031 CV     1
 ASSI { 1893}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.65816E-02 ppm1      4.757 ppm2      2.880 CV     1
 ASSI { 1894}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     0.800     0.800 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.42306E-02 ppm1      4.755 ppm2      3.266 CV     1
 ASSI { 1895}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.600     0.600 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.32635E-02 ppm1      4.064 ppm2      4.851 CV     1
 ASSI { 1896}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 70   and name HB  ))
      3.300     1.400     1.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.29473E-02 ppm1      4.066 ppm2      4.567 CV     1
 ASSI { 1897}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.48513E-02 ppm1      3.075 ppm2      4.850 CV     1
 ASSI { 1902}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
      4.200     2.200     1.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.43554E-03 ppm1      3.074 ppm2      4.675 CV     1
 ASSI { 1903}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.47693E-03 ppm1      4.064 ppm2      4.677 CV     1
 ASSI { 1908}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HE% )
      4.800     2.800     1.200 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.39241E-03 ppm1      3.072 ppm2      7.017 CV     1
 ASSI { 1909}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.500     1.500 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.49780E-03 ppm1      3.070 ppm2      8.986 CV     1
 ASSI { 1910}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.800     2.900     1.200 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.39985E-03 ppm1      3.074 ppm2      8.193 CV     1
 ASSI { 1911}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.000     2.000     2.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.84431E-03 ppm1      4.068 ppm2      8.985 CV     1
 ASSI { 1912}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.26240E-03 ppm1      4.065 ppm2      8.185 CV     1
 ASSI { 1915}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.43912E-02 ppm1      4.754 ppm2      8.963 CV     1
 ASSI { 1916}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.100     1.200     1.200 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.15288E-02 ppm1      4.755 ppm2      8.250 CV     1
 ASSI { 1917}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.13565E-02 ppm1      4.758 ppm2      4.202 CV     1
 OR { 1917}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1918}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.000     1.100     1.100 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.30675E-02 ppm1      4.301 ppm2      7.861 CV     1
 ASSI { 1919}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     0.900     0.900 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.43251E-02 ppm1      4.372 ppm2      8.254 CV     1
 ASSI { 1920}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.29338E-02 ppm1      4.373 ppm2      7.910 CV     1
 ASSI { 1922}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak  1922 spectrum    1 weight  0.10000E+01 volume  0.23275E-02 ppm1      5.042 ppm2      8.020 CV     1
 ASSI { 1923}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.11259E-02 ppm1      5.054 ppm2      7.253 CV     1
 ASSI { 1927}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak  1927 spectrum    1 weight  0.10000E+01 volume  0.28459E-02 ppm1      5.048 ppm2      2.372 CV     1
 ASSI { 1932}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      3.400     1.400     1.400 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.10935E-02 ppm1      4.373 ppm2      1.611 CV     1
 ASSI { 1933}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      4.800     2.900     1.200 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.61546E-03 ppm1      4.374 ppm2      0.804 CV     1
 ASSI { 1934}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HD1%)
      2.600     0.900     0.900 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.67637E-02 ppm1      4.387 ppm2      0.669 CV     1
 ASSI { 1936}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      2.600     0.800     0.800 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.90455E-02 ppm1      4.357 ppm2      0.946 CV     1
 ASSI { 1939}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.500     1.500     1.500 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.97625E-03 ppm1      4.296 ppm2      0.902 CV     1
 ASSI { 1940}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.000     1.200     1.200 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.14224E-02 ppm1      4.386 ppm2      1.577 CV     1
 ASSI { 1941}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.22072E-02 ppm1      4.382 ppm2      1.473 CV     1
 ASSI { 1942}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.25264E-02 ppm1      4.354 ppm2      1.427 CV     1
 ASSI { 1943}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.44795E-02 ppm1      4.389 ppm2      1.337 CV     1
 ASSI { 1945}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.30559E-02 ppm1      4.359 ppm2      1.783 CV     1
 OR { 1945}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 1946}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.700     1.700     1.700 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.57241E-03 ppm1      4.460 ppm2      2.119 CV     1
 ASSI { 1947}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.300     2.300     1.700 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.64092E-03 ppm1      4.358 ppm2      1.901 CV     1
 ASSI { 1948}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.11801E-02 ppm1      4.382 ppm2      3.062 CV     1
 ASSI { 1950}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.300     1.400     1.400 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.63362E-03 ppm1      4.393 ppm2      3.347 CV     1
 ASSI { 1952}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.500     0.800     0.800 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.75656E-02 ppm1      4.635 ppm2      2.872 CV     1
 ASSI { 1954}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.900     1.000     1.000 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.29795E-02 ppm1      4.717 ppm2      2.867 CV     1
 ASSI { 1957}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.800     1.000     1.000 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.24693E-02 ppm1      4.358 ppm2      7.246 CV     1
 ASSI { 1958}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      4.300     2.300     1.700 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.40339E-03 ppm1      4.460 ppm2      7.952 CV     1
 ASSI { 1959}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.67374E-03 ppm1      4.454 ppm2      7.855 CV     1
 ASSI { 1961}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.800     1.000     1.000 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.33861E-02 ppm1      4.298 ppm2      7.958 CV     1
 ASSI { 1962}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.60384E-03 ppm1      4.189 ppm2      7.921 CV     1
 ASSI { 1963}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.300     2.300     1.700 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.40815E-03 ppm1      4.179 ppm2      7.751 CV     1
 ASSI { 1964}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     1.300     1.300 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.17851E-02 ppm1      4.456 ppm2      8.235 CV     1
 ASSI { 1968}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.600     1.600     1.600 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.13196E-02 ppm1      4.717 ppm2      8.363 CV     1
 ASSI { 1969}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.20215E-02 ppm1      4.718 ppm2      8.590 CV     1
 ASSI { 1970}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.81587E-02 ppm1      4.720 ppm2      8.484 CV     1
 ASSI { 1975}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.20764E-02 ppm1      4.634 ppm2      8.292 CV     1
 ASSI { 1977}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.100     0.500     0.500 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.10233E-01 ppm1      4.351 ppm2      9.393 CV     1
 ASSI { 1978}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.000     0.500     0.500 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.95676E-02 ppm1      4.590 ppm2      9.179 CV     1
 ASSI { 1981}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     0.900     0.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      5.218 ppm2      9.174 CV     1
 ASSI { 1984}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.400     1.400 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.13498E-02 ppm1      4.340 ppm2      8.595 CV     1
 ASSI { 1987}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.61212E-02 ppm1      4.675 ppm2      8.185 CV     1
 ASSI { 1989}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.16035E-02 ppm1      5.215 ppm2      7.248 CV     1
 ASSI { 1990}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.82688E-03 ppm1      5.218 ppm2      7.397 CV     1
 ASSI { 1991}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
      3.200     1.300     1.300 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.11513E-02 ppm1      5.215 ppm2      7.016 CV     1
 ASSI { 1995}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.29107E-02 ppm1      5.216 ppm2      2.929 CV     1
 ASSI { 1996}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.38284E-02 ppm1      5.218 ppm2      2.800 CV     1
 ASSI { 1997}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     2.900     3.100 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.80887E-03 ppm1      5.215 ppm2      3.111 CV     1
 ASSI { 2000}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.300     1.400     1.400 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.91283E-03 ppm1      4.347 ppm2      2.577 CV     1
 ASSI { 2001}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.800     0.800 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.24032E-02 ppm1      4.678 ppm2      2.207 CV     1
 ASSI { 2002}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.10014E-01 ppm1      4.712 ppm2      2.806 CV     1
 OR { 2002}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 2003}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.12233E-02 ppm1      4.339 ppm2      2.093 CV     1
 ASSI { 2004}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.400     1.400     1.400 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.12164E-02 ppm1      4.678 ppm2      1.912 CV     1
 ASSI { 2006}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.600     0.800     0.800 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.21915E-02 ppm1      4.672 ppm2      1.635 CV     1
 ASSI { 2007}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
      2.500     0.800     0.800 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.45029E-02 ppm1      4.591 ppm2      1.545 CV     1
 OR { 2007}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 2009}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.57832E-02 ppm1      4.350 ppm2      1.492 CV     1
 ASSI { 2012}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.900     1.100     1.100 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.26017E-02 ppm1      4.589 ppm2      0.583 CV     1
 ASSI { 2015}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      4.000     2.000     2.000 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.92569E-03 ppm1      5.227 ppm2      1.047 CV     1
 OR { 2015}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 2015}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2016}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.49157E-02 ppm1      4.610 ppm2      2.026 CV     1
 ASSI { 2017}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.900     1.100     1.100 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.42678E-02 ppm1      4.612 ppm2      1.881 CV     1
 ASSI { 2018}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.500     0.800     0.800 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.58846E-02 ppm1      4.610 ppm2      1.723 CV     1
 OR { 2018}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2022}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     3.000     3.000 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.12436E-02 ppm1      3.925 ppm2      1.403 CV     1
 ASSI { 2023}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.600     1.600     1.600 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.27705E-02 ppm1      3.926 ppm2      2.243 CV     1
 ASSI { 2024}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.400     1.400     1.400 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.87399E-03 ppm1      3.926 ppm2      2.050 CV     1
 ASSI { 2025}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.300     0.600     0.600 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12394E-01 ppm1      4.475 ppm2      2.762 CV     1
 OR { 2025}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2026}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      3.000     1.100     1.100 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.17606E-02 ppm1      4.474 ppm2      1.464 CV     1
 ASSI { 2030}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.700     0.900     0.900 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.32532E-02 ppm1      4.612 ppm2      7.751 CV     1
 ASSI { 2032}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      5.300     3.500     0.700 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.20549E-03 ppm1      3.928 ppm2      8.284 CV     1
 ASSI { 2033}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      4.300     2.300     1.700 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.21751E-03 ppm1      3.925 ppm2      8.171 CV     1
 ASSI { 2034}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.97162E-03 ppm1      3.926 ppm2      8.004 CV     1
 ASSI { 2037}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.35569E-02 ppm1      4.474 ppm2      8.630 CV     1
 ASSI { 2038}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.900     1.000     1.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.30663E-02 ppm1      4.474 ppm2      8.411 CV     1
 ASSI { 2039}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      4.100     2.100     1.900 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.62961E-03 ppm1      4.474 ppm2      7.551 CV     1
 ASSI { 2042}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.800     1.000     1.000 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.25014E-02 ppm1      4.273 ppm2      1.962 CV     1
 ASSI { 2043}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.000     1.100     1.100 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.22547E-02 ppm1      4.272 ppm2      1.869 CV     1
 ASSI { 2045}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.24047E-03 ppm1      3.928 ppm2      2.689 CV     1
 ASSI { 2047}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak  2047 spectrum    1 weight  0.10000E+01 volume  0.28014E-02 ppm1      4.456 ppm2      8.532 CV     1
 ASSI { 2048}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.34655E-02 ppm1      4.273 ppm2      8.230 CV     1
 ASSI { 2054}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.300     1.300 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.17564E-02 ppm1      4.273 ppm2      7.952 CV     1
 ASSI { 2055}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.32916E-02 ppm1      4.378 ppm2      7.871 CV     1
 ASSI { 2057}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.100     1.100 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.28439E-02 ppm1      4.453 ppm2      2.057 CV     1
 ASSI { 2059}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.900     1.100     1.100 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.27901E-02 ppm1      4.377 ppm2      2.246 CV     1
 ASSI { 2060}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.300     1.300     1.300 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.19209E-02 ppm1      4.380 ppm2      2.412 CV     1
 ASSI { 2061}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.600     0.800     0.800 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.41420E-02 ppm1      4.455 ppm2      2.212 CV     1
 ASSI { 2063}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.100     1.200     1.200 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.23292E-02 ppm1      4.456 ppm2      2.375 CV     1
 OR { 2063}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 2065}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      4.100     2.100     1.900 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.46512E-03 ppm1      4.376 ppm2      1.589 CV     1
 ASSI { 2067}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      2.900     1.100     1.100 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.44238E-02 ppm1      4.692 ppm2      1.771 CV     1
 OR { 2067}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 2069}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
      2.600     0.900     0.900 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.18326E-02 ppm1      4.488 ppm2      1.172 CV     1
 ASSI { 2074}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      4.100     2.100     1.900 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.13587E-02 ppm1      4.298 ppm2      0.842 CV     1
 ASSI { 2075}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.30259E-02 ppm1      4.336 ppm2      1.091 CV     1
 ASSI { 2076}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.100     1.100 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.17672E-02 ppm1      4.334 ppm2      0.847 CV     1
 ASSI { 2080}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.500     1.500 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.88279E-03 ppm1      4.190 ppm2      0.564 CV     1
 ASSI { 2081}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.600     1.600 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.22978E-02 ppm1      3.975 ppm2      0.580 CV     1
 ASSI { 2084}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.900     1.000     1.000 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.30720E-02 ppm1      3.974 ppm2      1.808 CV     1
 ASSI { 2086}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     0.800     0.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.34061E-02 ppm1      3.974 ppm2      1.408 CV     1
 ASSI { 2088}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.19431E-02 ppm1      4.189 ppm2      1.903 CV     1
 ASSI { 2090}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.47454E-02 ppm1      4.300 ppm2      1.417 CV     1
 ASSI { 2091}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.32144E-02 ppm1      4.335 ppm2      1.462 CV     1
 ASSI { 2092}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.37456E-02 ppm1      4.253 ppm2      1.693 CV     1
 ASSI { 2093}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.20535E-02 ppm1      4.336 ppm2      1.934 CV     1
 ASSI { 2094}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.600     1.700     1.700 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.18488E-02 ppm1      4.335 ppm2      1.747 CV     1
 ASSI { 2095}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG11))
      3.000     1.100     1.100 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.18840E-02 ppm1      4.488 ppm2      1.592 CV     1
 ASSI { 2097}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HG1 ))
      4.500     2.500     1.500 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.11400E-02 ppm1      4.494 ppm2      2.089 CV     1
 OR { 2097}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
 OR { 2097}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 2098}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.36644E-02 ppm1      4.598 ppm2      2.045 CV     1
 OR { 2098}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 2100}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.900     1.000     1.000 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.24416E-02 ppm1      4.250 ppm2      2.445 CV     1
 ASSI { 2101}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.27123E-02 ppm1      4.300 ppm2      2.248 CV     1
 ASSI { 2103}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.62313E-02 ppm1      4.519 ppm2      2.627 CV     1
 ASSI { 2106}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.500     0.800     0.800 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.39625E-02 ppm1      4.519 ppm2      2.998 CV     1
 ASSI { 2107}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HD2 ))
      2.300     0.600     0.600 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.64869E-02 ppm1      4.491 ppm2      3.538 CV     1
 ASSI { 2109}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.56500E-02 ppm1      4.693 ppm2      3.352 CV     1
 ASSI { 2113}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      3.900     1.900     1.900 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.44945E-03 ppm1      3.975 ppm2      0.724 CV     1
 ASSI { 2115}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.35682E-02 ppm1      4.301 ppm2      7.376 CV     1
 ASSI { 2116}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HE% )
      3.500     1.600     1.600 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.70641E-03 ppm1      4.301 ppm2      6.816 CV     1
 ASSI { 2118}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.900     1.900     1.900 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.57349E-03 ppm1      3.975 ppm2      6.754 CV     1
 ASSI { 2120}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.31887E-02 ppm1      3.975 ppm2      8.414 CV     1
 ASSI { 2123}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.28105E-02 ppm1      4.187 ppm2      7.939 CV     1
 ASSI { 2126}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.200     1.300     1.300 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.10168E-02 ppm1      4.337 ppm2      8.429 CV     1
 ASSI { 2127}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.30953E-02 ppm1      4.335 ppm2      8.291 CV     1
 ASSI { 2128}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.900     1.100     1.100 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.22297E-02 ppm1      4.650 ppm2      7.005 CV     1
 ASSI { 2129}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.100     0.600     0.600 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.10988E-01 ppm1      4.659 ppm2      8.253 CV     1
 ASSI { 2130}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.400     1.400 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.11076E-02 ppm1      4.518 ppm2      8.083 CV     1
 ASSI { 2132}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.100     1.100 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.23394E-02 ppm1      4.520 ppm2      7.865 CV     1
 ASSI { 2133}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.800     1.800     1.800 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.79915E-03 ppm1      3.973 ppm2      8.538 CV     1
 ASSI { 2134}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.600     1.600     1.600 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.74802E-03 ppm1      4.259 ppm2      8.778 CV     1
 ASSI { 2137}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.900     1.000     1.000 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.16692E-02 ppm1      4.492 ppm2      8.903 CV     1
 ASSI { 2139}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.13460E-02 ppm1      4.694 ppm2      7.332 CV     1
 ASSI { 2140}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      3.200     1.300     1.300 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.24795E-02 ppm1      4.657 ppm2      1.610 CV     1
 ASSI { 2144}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      4.500     2.500     1.500 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.65805E-03 ppm1      3.906 ppm2      1.210 CV     1
 ASSI { 2147}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.000     1.100     1.100 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.14172E-02 ppm1      3.906 ppm2      0.552 CV     1
 ASSI { 2148}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      2.900     1.100     1.100 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      4.104 ppm2      0.908 CV     1
 ASSI { 2149}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.700     0.900     0.900 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.29597E-02 ppm1      4.104 ppm2      1.444 CV     1
 ASSI { 2151}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.100     1.200     1.200 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.21497E-02 ppm1      3.906 ppm2      2.041 CV     1
 ASSI { 2153}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.600     0.600 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.53450E-02 ppm1      3.905 ppm2      1.656 CV     1
 ASSI { 2154}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.48258E-02 ppm1      4.103 ppm2      1.794 CV     1
 ASSI { 2155}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.700     0.900     0.900 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.64118E-02 ppm1      4.241 ppm2      1.994 CV     1
 OR { 2155}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2159}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.100     1.200     1.200 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.28307E-02 ppm1      4.189 ppm2      2.623 CV     1
 ASSI { 2160}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.500     0.800     0.800 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.50794E-02 ppm1      4.190 ppm2      2.372 CV     1
 ASSI { 2162}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     1.000     1.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.54057E-02 ppm1      4.190 ppm2      2.110 CV     1
 ASSI { 2164}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.900     0.900 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.32795E-02 ppm1      4.234 ppm2      2.769 CV     1
 ASSI { 2166}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG2 ))
      2.800     1.000     1.000 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.48930E-02 ppm1      4.347 ppm2      2.450 CV     1
 OR { 2166}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 2167}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.400     0.700     0.700 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.58192E-02 ppm1      4.347 ppm2      2.214 CV     1
 ASSI { 2168}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.57164E-02 ppm1      4.347 ppm2      2.141 CV     1
 ASSI { 2169}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.83495E-02 ppm1      4.291 ppm2      2.334 CV     1
 OR { 2169}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 2171}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.900     1.900     1.900 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.99528E-03 ppm1      4.281 ppm2      2.200 CV     1
 ASSI { 2172}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.200     0.600     0.600 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.10282E-01 ppm1      4.295 ppm2      1.585 CV     1
 ASSI { 2176}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      3.400     1.400     1.400 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.11108E-02 ppm1      4.187 ppm2      1.036 CV     1
 ASSI { 2178}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD1 ))
      4.600     2.600     1.400 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.59633E-03 ppm1      4.099 ppm2      3.059 CV     1
 ASSI { 2180}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      3.300     1.400     1.400 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      4.244 ppm2      3.441 CV     1
 ASSI { 2185}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.83109E-03 ppm1      3.906 ppm2      8.895 CV     1
 ASSI { 2186}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.600     0.900     0.900 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.32567E-02 ppm1      3.906 ppm2      8.777 CV     1
 ASSI { 2188}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.34568E-02 ppm1      4.103 ppm2      8.301 CV     1
 ASSI { 2189}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      5.100     3.300     0.900 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.29602E-03 ppm1      4.100 ppm2      8.110 CV     1
 ASSI { 2190}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      4.103 ppm2      8.014 CV     1
 ASSI { 2191}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.800     0.800 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.45220E-02 ppm1      4.189 ppm2      8.260 CV     1
 ASSI { 2197}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.45361E-02 ppm1      4.347 ppm2      9.626 CV     1
 ASSI { 2207}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      4.300     2.300     1.700 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.85789E-03 ppm1      4.038 ppm2      1.032 CV     1
 ASSI { 2208}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.600     0.800     0.800 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.29200E-02 ppm1      4.037 ppm2      2.264 CV     1
 ASSI { 2209}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.300     0.600     0.600 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.80789E-02 ppm1      4.036 ppm2      2.025 CV     1
 OR { 2209}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2210}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.300     1.400     1.400 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.18681E-02 ppm1      4.035 ppm2      1.916 CV     1
 ASSI { 2211}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.27798E-02 ppm1      4.036 ppm2      1.675 CV     1
 ASSI { 2216}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.100     0.600     0.600 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.87415E-02 ppm1      4.203 ppm2      2.340 CV     1
 OR { 2216}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
 OR { 2216}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2217}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      4.900     3.000     1.100 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.57601E-03 ppm1      4.201 ppm2      2.101 CV     1
 ASSI { 2218}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.800     1.000     1.000 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.30163E-02 ppm1      4.204 ppm2      2.685 CV     1
 ASSI { 2219}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.64777E-02 ppm1      4.342 ppm2      4.062 CV     1
 ASSI { 2220}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.61289E-02 ppm1      4.342 ppm2      3.971 CV     1
 ASSI { 2222}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.52298E-02 ppm1      4.555 ppm2      4.022 CV     1
 ASSI { 2225}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.400     0.700     0.700 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.35555E-02 ppm1      4.204 ppm2      7.249 CV     1
 ASSI { 2226}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.12547E-02 ppm1      4.039 ppm2      8.435 CV     1
 ASSI { 2231}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.300     1.400     1.400 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      4.202 ppm2      8.103 CV     1
 ASSI { 2233}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.37449E-02 ppm1      4.204 ppm2      8.605 CV     1
 ASSI { 2234}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.20545E-02 ppm1      4.341 ppm2      8.364 CV     1
 ASSI { 2236}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.16434E-02 ppm1      4.556 ppm2      7.911 CV     1
 ASSI { 2238}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.300     0.600     0.600 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.11652E-01 ppm1      4.547 ppm2      8.424 CV     1
 ASSI { 2239}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.34878E-02 ppm1      3.603 ppm2      8.757 CV     1
 ASSI { 2240}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.25341E-02 ppm1      3.637 ppm2      8.981 CV     1
 ASSI { 2241}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.700     1.700 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.68326E-03 ppm1      3.637 ppm2      8.425 CV     1
 ASSI { 2242}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.200     1.200     1.200 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.11733E-02 ppm1      3.599 ppm2      8.291 CV     1
 ASSI { 2246}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.400     1.400 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.16119E-02 ppm1      3.600 ppm2      7.277 CV     1
 ASSI { 2247}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.200     2.200     1.800 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.43700E-03 ppm1      3.642 ppm2      3.039 CV     1
 ASSI { 2249}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      4.600     2.600     1.400 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.83346E-03 ppm1      3.601 ppm2      3.227 CV     1
 OR { 2249}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 2250}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD2 ))
      4.000     2.000     2.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.66742E-03 ppm1      4.033 ppm2      3.329 CV     1
 ASSI { 2251}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.56444E-02 ppm1      3.604 ppm2      2.036 CV     1
 ASSI { 2253}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.27656E-02 ppm1      3.636 ppm2      1.873 CV     1
 ASSI { 2254}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      3.800     1.800     1.800 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.77189E-03 ppm1      3.614 ppm2      1.741 CV     1
 ASSI { 2256}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.32404E-02 ppm1      3.637 ppm2      1.554 CV     1
 ASSI { 2258}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.000     1.100     1.100 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.29874E-02 ppm1      3.600 ppm2      1.287 CV     1
 ASSI { 2262}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      2.900     1.000     1.000 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.35594E-02 ppm1      3.638 ppm2      0.521 CV     1
 ASSI { 2268}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
      4.500     2.500     1.500 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.78680E-03 ppm1      4.208 ppm2      1.032 CV     1
 OR { 2268}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI { 2270}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      2.300     0.700     0.700 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.10744E-01 ppm1      4.528 ppm2      1.084 CV     1
 OR { 2270}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2271}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.500     1.600 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.64236E-03 ppm1      4.212 ppm2      0.396 CV     1
 ASSI { 2274}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.300     0.600     0.600 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.96751E-02 ppm1      4.209 ppm2      4.330 CV     1
 ASSI { 2276}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.600     1.600 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.82471E-03 ppm1      4.210 ppm2      7.909 CV     1
 ASSI { 2279}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.500     1.500     1.500 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.10287E-02 ppm1      4.339 ppm2      8.298 CV     1
 ASSI { 2280}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.900     0.900 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.44609E-02 ppm1      4.336 ppm2      8.101 CV     1
 ASSI { 2285}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.600     0.600 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.11162E-01 ppm1      4.527 ppm2      9.176 CV     1
 ASSI { 2289}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.200     1.200 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.19412E-02 ppm1      4.514 ppm2      8.255 CV     1
 ASSI { 2298}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.500     0.500 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.11878E-01 ppm1      4.533 ppm2      8.626 CV     1
 ASSI { 2299}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      4.000     2.000     2.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.76824E-03 ppm1      4.532 ppm2      8.412 CV     1
 ASSI { 2300}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.700     0.700 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.92816E-02 ppm1      4.331 ppm2      8.582 CV     1
 ASSI { 2302}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.400     1.400     1.400 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.12675E-02 ppm1      4.082 ppm2      8.306 CV     1
 OR { 2302}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2311}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.53105E-02 ppm1      4.371 ppm2      7.244 CV     1
 ASSI { 2312}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.15627E-01 ppm1      4.081 ppm2      4.334 CV     1
 OR { 2312}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 2313}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     3.300     2.700 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.30709E-02 ppm1      4.080 ppm2      4.213 CV     1
 OR { 2313}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 2314}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB  ))
      2.600     0.800     0.800 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.44840E-02 ppm1      4.330 ppm2      4.201 CV     1
 ASSI { 2315}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      2.200     0.600     0.600 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.93706E-02 ppm1      4.381 ppm2      4.175 CV     1
 ASSI { 2316}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.200     0.600     0.600 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.36515E-02 ppm1      4.369 ppm2      3.447 CV     1
 ASSI { 2317}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.600     2.700     1.400 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.45765E-03 ppm1      4.080 ppm2      2.346 CV     1
 OR { 2317}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR { 2317}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 2318}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.60533E-02 ppm1      4.396 ppm2      2.334 CV     1
 ASSI { 2319}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.97980E-03 ppm1      4.369 ppm2      2.898 CV     1
 OR { 2319}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 2320}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.100     1.100 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.21782E-02 ppm1      4.370 ppm2      3.125 CV     1
 ASSI { 2321}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.700     2.700     1.300 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.11044E-02 ppm1      4.533 ppm2      2.759 CV     1
 OR { 2321}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2322}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB1 ))
      2.100     0.500     0.500 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.83541E-02 ppm1      4.532 ppm2      2.496 CV     1
 ASSI { 2323}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.56130E-02 ppm1      4.533 ppm2      2.090 CV     1
 OR { 2323}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG1 ))
 OR { 2323}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2326}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.700     0.900     0.900 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.53584E-02 ppm1      4.382 ppm2      1.366 CV     1
 ASSI { 2327}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      3.200     1.200     1.200 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.23592E-02 ppm1      4.396 ppm2      1.867 CV     1
 ASSI { 2328}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      2.700     0.900     0.900 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.24879E-02 ppm1      4.374 ppm2      1.873 CV     1
 ASSI { 2329}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.300     0.700     0.700 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.76818E-02 ppm1      4.396 ppm2      1.057 CV     1
 ASSI { 2331}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      2.400     0.700     0.700 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.39685E-02 ppm1      4.375 ppm2      0.941 CV     1
 ASSI { 2334}
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2%)
      2.600     0.800     0.800 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.56541E-02 ppm1      4.330 ppm2      1.214 CV     1
 ASSI { 2335}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.61937E-02 ppm1      3.931 ppm2      2.274 CV     1
 ASSI { 2336}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.000     2.000     2.000 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.12463E-02 ppm1      3.932 ppm2      2.074 CV     1
 ASSI { 2337}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.100     1.200     1.200 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.14531E-02 ppm1      3.930 ppm2      1.875 CV     1
 ASSI { 2338}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.000     1.100     1.100 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.17783E-02 ppm1      3.931 ppm2      1.726 CV     1
 OR { 2338}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 2340}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.600     0.600 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.10654E-01 ppm1      3.931 ppm2      0.997 CV     1
 OR { 2340}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2342}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      4.700     2.800     1.300 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.45837E-03 ppm1      3.929 ppm2      1.457 CV     1
 ASSI { 2345}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
      4.100     2.100     1.900 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.49792E-03 ppm1      4.108 ppm2      1.506 CV     1
 ASSI { 2347}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      4.900     3.000     1.100 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.34854E-03 ppm1      4.018 ppm2      1.497 CV     1
 ASSI { 2350}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.33614E-02 ppm1      4.109 ppm2      4.552 CV     1
 ASSI { 2353}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.21723E-02 ppm1      3.805 ppm2      4.771 CV     1
 ASSI { 2359}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.95239E-03 ppm1      4.110 ppm2      7.915 CV     1
 ASSI { 2360}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.81119E-03 ppm1      3.930 ppm2      7.921 CV     1
 ASSI { 2361}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.10661E-02 ppm1      4.020 ppm2      7.905 CV     1
 ASSI { 2363}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      4.018 ppm2      7.796 CV     1
 ASSI { 2365}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.44372E-02 ppm1      3.931 ppm2      7.548 CV     1
 ASSI { 2367}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.27345E-02 ppm1      3.930 ppm2      8.293 CV     1
 ASSI { 2368}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     0.900     0.900 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.34706E-02 ppm1      3.805 ppm2      8.424 CV     1
 ASSI { 2369}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.31007E-02 ppm1      3.743 ppm2      8.424 CV     1
 ASSI { 2370}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.77081E-03 ppm1      3.806 ppm2      8.907 CV     1
 ASSI { 2371}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.400     2.400     1.600 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.85280E-03 ppm1      3.744 ppm2      8.906 CV     1
 ASSI { 2373}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.800 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.79694E-03 ppm1      3.974 ppm2      8.582 CV     1
 ASSI { 2374}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.16794E-02 ppm1      4.057 ppm2      8.360 CV     1
 ASSI { 2384}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.25544E-02 ppm1      3.764 ppm2      8.470 CV     1
 ASSI { 2387}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
      3.200     1.300     1.300 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.18317E-02 ppm1      4.241 ppm2      7.022 CV     1
 ASSI { 2388}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.500     0.800     0.800 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.39129E-02 ppm1      4.239 ppm2      6.912 CV     1
 ASSI { 2389}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.77986E-03 ppm1      4.332 ppm2      7.915 CV     1
 ASSI { 2390}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.39030E-02 ppm1      3.927 ppm2      8.434 CV     1
 ASSI { 2394}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.77163E-03 ppm1      4.243 ppm2      8.768 CV     1
 ASSI { 2396}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.900     1.900     1.900 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.66387E-03 ppm1      4.238 ppm2      3.073 CV     1
 ASSI { 2397}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.400     0.700     0.700 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.40640E-02 ppm1      4.239 ppm2      2.447 CV     1
 ASSI { 2398}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.200     0.600     0.600 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.57673E-02 ppm1      4.239 ppm2      2.248 CV     1
 OR { 2398}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 2399}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.100     1.100 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.26894E-02 ppm1      4.239 ppm2      2.034 CV     1
 ASSI { 2400}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      3.000     1.200     1.200 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.22126E-02 ppm1      3.928 ppm2      1.499 CV     1
 ASSI { 2401}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.600     0.900     0.900 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.47358E-02 ppm1      3.926 ppm2      2.259 CV     1
 ASSI { 2403}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HG1%)
      2.500     0.800     0.800 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.57184E-02 ppm1      3.926 ppm2      1.033 CV     1
 ASSI { 2406}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.600     1.600     1.600 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.20604E-02 ppm1      4.239 ppm2      1.467 CV     1
 ASSI { 2407}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.600     0.800     0.800 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.24416E-02 ppm1      4.239 ppm2      1.682 CV     1
 ASSI { 2410}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.300     1.300     1.300 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.14398E-02 ppm1      4.330 ppm2      1.020 CV     1
 OR { 2410}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI { 2413}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28A))
      5.000     3.200     1.000 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.42146E-03 ppm1      4.336 ppm2      3.512 CV     1
 ASSI { 2415}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB1 ))
      1.600     0.300     0.600 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.26506E-01 ppm1      4.333 ppm2      4.198 CV     1
 OR { 2415}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 2416}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HB2 ))
      1.700     0.300     0.500 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.20121E-01 ppm1      4.194 ppm2      4.333 CV     1
 ASSI { 2420}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.500     1.500     1.500 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.11239E-02 ppm1      3.850 ppm2      1.083 CV     1
 ASSI { 2425}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.600     1.600     1.600 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.10418E-02 ppm1      3.850 ppm2      1.662 CV     1
 ASSI { 2426}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.21721E-02 ppm1      3.851 ppm2      2.206 CV     1
 ASSI { 2430}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.500     1.500 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.12542E-02 ppm1      3.850 ppm2      7.937 CV     1
 ASSI { 2432}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.49737E-02 ppm1      3.947 ppm2      1.093 CV     1
 ASSI { 2435}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      5.500     3.800     0.500 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.26911E-03 ppm1      3.950 ppm2      0.739 CV     1
 ASSI { 2436}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      5.100     3.300     0.900 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.17155E-03 ppm1      3.945 ppm2      0.394 CV     1
 ASSI { 2440}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      3.900     1.900     1.900 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.82271E-03 ppm1      3.947 ppm2      1.619 CV     1
 ASSI { 2442}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.900     3.000     1.100 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.53440E-03 ppm1      3.943 ppm2      3.288 CV     1
 ASSI { 2444}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 51   and name HG1 ))
      4.900     3.000     1.100 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.43402E-03 ppm1      4.416 ppm2      1.988 CV     1
 ASSI { 2446}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 14   and name HD1%)
      4.300     2.400     1.700 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.28950E-03 ppm1      4.426 ppm2      0.734 CV     1
 ASSI { 2447}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.50469E-02 ppm1      3.946 ppm2      4.421 CV     1
 ASSI { 2452}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.20916E-02 ppm1      3.947 ppm2      8.283 CV     1
 ASSI { 2454}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     0.900     0.900 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.25599E-02 ppm1      4.420 ppm2      8.544 CV     1
 ASSI { 2456}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.21913E-02 ppm1      4.294 ppm2      8.178 CV     1
 ASSI { 2458}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.84493E-03 ppm1      4.296 ppm2      3.855 CV     1
 ASSI { 2465}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  2465 spectrum    1 weight  0.10000E+01 volume  0.28061E-02 ppm1      4.189 ppm2      8.077 CV     1
 ASSI { 2468}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.29248E-02 ppm1      4.348 ppm2      8.470 CV     1
 ASSI { 2470}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.10964E-02 ppm1      4.189 ppm2      8.586 CV     1
 ASSI { 2471}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      4.000     2.000     2.000 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.14565E-02 ppm1      4.172 ppm2      8.191 CV     1
 ASSI { 2472}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.69247E-02 ppm1      4.348 ppm2      4.520 CV     1
 ASSI { 2473}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG2%)
      2.300     0.700     0.700 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.98793E-02 ppm1      4.349 ppm2      1.227 CV     1
 ASSI { 2475}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.19463E-02 ppm1      4.567 ppm2      8.978 CV     1
 ASSI { 2477}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.24035E-02 ppm1      4.567 ppm2      5.047 CV     1
 ASSI { 2478}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.42846E-02 ppm1      4.569 ppm2      4.854 CV     1
 ASSI { 2480}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD2 ))
      2.400     0.700     0.700 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.31922E-02 ppm1      4.566 ppm2      3.074 CV     1
 ASSI { 2482}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 70   and name HG2%)
      2.200     0.600     0.600 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.74540E-02 ppm1      4.571 ppm2      1.010 CV     1
 ASSI { 2485}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
      2.600     0.900     0.900 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.37626E-02 ppm1      6.759 ppm2      1.494 CV     1
 ASSI { 2486}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 24   and name HG2%)
      3.200     1.300     1.300 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.14210E-02 ppm1      6.759 ppm2      1.219 CV     1
 ASSI { 2488}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      3.100     1.200     1.200 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.13599E-02 ppm1      6.760 ppm2      0.940 CV     1
 ASSI { 2489}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
      3.000     1.100     1.100 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.19879E-02 ppm1      6.760 ppm2      0.820 CV     1
 ASSI { 2490}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.24579E-02 ppm1      6.760 ppm2      0.716 CV     1
 ASSI { 2493}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.80687E-02 ppm1      6.815 ppm2      0.971 CV     1
 ASSI { 2494}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
      3.100     1.200     1.200 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.24444E-02 ppm1      6.815 ppm2      0.580 CV     1
 OR { 2494}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2495}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      3.400     1.500     1.500 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.15551E-02 ppm1      6.760 ppm2      2.895 CV     1
 ASSI { 2496}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD1 ))
      3.100     1.200     1.200 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.10684E-02 ppm1      6.814 ppm2      3.064 CV     1
 ASSI { 2497}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
      3.300     1.300     1.300 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.13068E-02 ppm1      6.814 ppm2      2.969 CV     1
 ASSI { 2500}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 56   and name HD% )
      1.800     0.400     0.400 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.20879E-01 ppm1      6.815 ppm2      7.377 CV     1
 ASSI { 2503}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.60492E-03 ppm1      6.760 ppm2      7.898 CV     1
 ASSI { 2504}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      2.900     2.900     3.100 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.84735E-03 ppm1      6.759 ppm2      4.657 CV     1
 ASSI { 2506}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB1 ))
      4.800     2.800     1.200 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.44960E-03 ppm1      6.815 ppm2      3.437 CV     1
 ASSI { 2507}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.49508E-03 ppm1      6.758 ppm2      2.324 CV     1
 ASSI { 2508}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB2 ))
      4.600     2.600     1.400 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.42440E-03 ppm1      6.811 ppm2      2.624 CV     1
 ASSI { 2510}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      3.700     1.700     1.700 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.80332E-03 ppm1      6.759 ppm2      1.878 CV     1
 ASSI { 2512}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.500     1.500     1.500 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.60975E-03 ppm1      6.815 ppm2      1.798 CV     1
 ASSI { 2513}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 45   and name HD1%)
      3.900     1.900     1.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.68964E-03 ppm1      6.763 ppm2      0.398 CV     1
 ASSI { 2514}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 35   and name HD% )
      4.300     2.300     1.700 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.50304E-03 ppm1      6.911 ppm2      7.246 CV     1
 ASSI { 2519}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HG  ))
      3.300     1.300     1.300 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.12606E-02 ppm1      6.917 ppm2      1.043 CV     1
 OR { 2519}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 2519}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2522}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD2%)
      4.200     2.200     1.800 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.33722E-03 ppm1      7.301 ppm2      0.833 CV     1
 ASSI { 2530}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.300     1.400     1.400 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.58095E-03 ppm1      7.019 ppm2      0.727 CV     1
 ASSI { 2532}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      4.300     2.300     1.700 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.42623E-03 ppm1      7.021 ppm2      1.684 CV     1
 ASSI { 2534}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HG  ))
      3.700     1.700     1.700 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.40488E-03 ppm1      7.225 ppm2      1.917 CV     1
 ASSI { 2539}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HZ  ))
      2.200     0.600     0.600 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.71186E-02 ppm1      7.019 ppm2      6.913 CV     1
 ASSI { 2543}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      3.300     1.300     1.300 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.11791E-02 ppm1      7.007 ppm2      0.394 CV     1
 ASSI { 2544}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 24   and name HG2%)
      3.900     1.900     1.900 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.52498E-03 ppm1      7.007 ppm2      1.214 CV     1
 ASSI { 2546}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.900     1.900     1.900 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.89339E-03 ppm1      7.001 ppm2      0.943 CV     1
 ASSI { 2548}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.400     1.400     1.400 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.81299E-03 ppm1      7.006 ppm2      0.723 CV     1
 ASSI { 2551}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      2.400     0.700     0.700 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.16352E-02 ppm1      7.006 ppm2      1.865 CV     1
 ASSI { 2553}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 40   and name HE% )
      1.800     0.400     0.400 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.26191E-01 ppm1      7.007 ppm2      6.755 CV     1
 ASSI { 2557}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 30   and name HE% )
      2.000     0.500     0.500 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.12358E-01 ppm1      7.323 ppm2      7.219 CV     1
 ASSI { 2558}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.900     1.900     1.900 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.47918E-03 ppm1      7.323 ppm2      4.817 CV     1
 ASSI { 2562}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.400     1.400     1.400 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.91093E-03 ppm1      7.324 ppm2      2.030 CV     1
 ASSI { 2569}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD1%)
      4.900     3.000     1.100 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.50876E-03 ppm1      7.325 ppm2      0.528 CV     1
 ASSI { 2574}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      3.500     1.500     1.500 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.12701E-02 ppm1      7.248 ppm2      2.904 CV     1
 OR { 2574}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 2581}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HB2 ))
      2.400     0.700     0.700 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.48689E-02 ppm1      7.375 ppm2      2.876 CV     1
 ASSI { 2586}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.500     1.500 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.12021E-02 ppm1      7.376 ppm2      0.576 CV     1
 OR { 2586}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2588}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.22867E-02 ppm1      7.376 ppm2      4.805 CV     1
 ASSI { 2590}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.22662E-02 ppm1      7.373 ppm2      8.017 CV     1
 ASSI { 2591}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD2 ))
      5.500     3.800     0.500 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.32506E-03 ppm1      0.885 ppm2      3.543 CV     1
 ASSI { 2595}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.13908E-02 ppm1      0.965 ppm2      4.354 CV     1
 ASSI { 2597}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.26426E-02 ppm1      4.769 ppm2      3.767 CV     1
 ASSI { 2598}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.000     1.100     1.100 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.16431E-02 ppm1      4.771 ppm2      2.368 CV     1
 OR { 2598}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 2599}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.900     1.000     1.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.18397E-02 ppm1      4.769 ppm2      8.421 CV     1
 ASSI { 2600}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.300     0.700     0.700 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.56721E-02 ppm1      4.770 ppm2      8.907 CV     1
 ASSI { 2601}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      2.800     1.000     1.000 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.37801E-02 ppm1      0.966 ppm2      1.997 CV     1
 OR { 2601}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 2602}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HG  ))
      3.400     1.400     1.400 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.80059E-03 ppm1      1.007 ppm2      1.821 CV     1
 ASSI { 2603}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HG  ))
      3.200     1.300     1.300 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      0.978 ppm2      1.803 CV     1
 ASSI { 2604}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.25171E-02 ppm1      0.966 ppm2      4.266 CV     1
 ASSI {    4}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.800     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.65733E-02 ppm1      8.196 ppm2      4.169 CV     1
 ASSI {    5}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      2.800     1.000     1.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.59283E-02 ppm1      8.196 ppm2      4.008 CV     1
 ASSI {    6}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.17501E-02 ppm1      7.690 ppm2      4.861 CV     1
 ASSI {    7}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.45164E-02 ppm1      7.687 ppm2      3.000 CV     1
 OR {    7}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {    8}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.18041E-02 ppm1      7.687 ppm2      9.626 CV     1
 ASSI {   14}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.55744E-02 ppm1      8.433 ppm2      2.257 CV     1
 ASSI {   16}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 85   and name HB% )
      3.500     1.500     1.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.95182E-03 ppm1      7.986 ppm2      1.558 CV     1
 ASSI {   17}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HB% )
      3.200     1.300     1.300 peak    17 spectrum    1 weight  0.10000E+01 volume  0.17605E-02 ppm1      7.986 ppm2      1.471 CV     1
 ASSI {   19}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.37213E-02 ppm1      7.986 ppm2      4.460 CV     1
 ASSI {   22}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.500     1.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.38739E-03 ppm1      8.911 ppm2      8.426 CV     1
 ASSI {   27}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.36725E-02 ppm1      8.907 ppm2      1.924 CV     1
 ASSI {   29}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.300     1.400     1.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.78773E-03 ppm1      8.907 ppm2      2.345 CV     1
 OR {   29}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {   31}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      3.900     1.900     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.12675E-02 ppm1      8.906 ppm2      1.168 CV     1
 ASSI {   33}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      4.300     2.300     1.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.94498E-03 ppm1      8.905 ppm2      0.884 CV     1
 ASSI {   34}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.500     2.600     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.51166E-03 ppm1      8.908 ppm2      2.684 CV     1
 ASSI {   38}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.400     2.400     1.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.10829E-02 ppm1      8.192 ppm2      0.894 CV     1
 ASSI {   41}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      2.500     0.800     0.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.44614E-02 ppm1      8.192 ppm2      1.711 CV     1
 ASSI {   42}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.300     1.300     1.300 peak    42 spectrum    1 weight  0.10000E+01 volume  0.38731E-02 ppm1      8.193 ppm2      1.623 CV     1
 ASSI {   44}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     0.500     0.500 peak    44 spectrum    1 weight  0.10000E+01 volume  0.14360E-01 ppm1      8.193 ppm2      4.379 CV     1
 ASSI {   45}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.100     2.100     1.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.12259E-02 ppm1      8.193 ppm2      9.393 CV     1
 ASSI {   48}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.900     1.900     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.49146E-03 ppm1      7.919 ppm2      2.249 CV     1
 ASSI {   49}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.000     2.000     2.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.64617E-03 ppm1      7.919 ppm2      2.093 CV     1
 ASSI {   50}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.29816E-02 ppm1      7.919 ppm2      4.462 CV     1
 ASSI {   51}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.21531E-02 ppm1      7.920 ppm2      4.376 CV     1
 ASSI {   53}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      3.200     1.200     1.200 peak    53 spectrum    1 weight  0.10000E+01 volume  0.12054E-02 ppm1      7.917 ppm2      7.855 CV     1
 ASSI {   56}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.600     2.600     1.400 peak    56 spectrum    1 weight  0.10000E+01 volume  0.80265E-03 ppm1      8.485 ppm2      0.806 CV     1
 ASSI {   57}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      3.200     1.300     1.300 peak    57 spectrum    1 weight  0.10000E+01 volume  0.99652E-03 ppm1      8.484 ppm2      0.670 CV     1
 ASSI {   58}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak    58 spectrum    1 weight  0.10000E+01 volume  0.25606E-02 ppm1      8.483 ppm2      1.588 CV     1
 ASSI {   59}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.34918E-02 ppm1      8.483 ppm2      1.491 CV     1
 ASSI {   62}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.700     2.800     1.300 peak    62 spectrum    1 weight  0.10000E+01 volume  0.49554E-03 ppm1      8.485 ppm2      2.872 CV     1
 ASSI {   64}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.26222E-02 ppm1      8.484 ppm2      4.389 CV     1
 ASSI {   71}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      3.300     1.400     1.400 peak    71 spectrum    1 weight  0.10000E+01 volume  0.24665E-02 ppm1      9.394 ppm2      7.487 CV     1
 ASSI {   72}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD22))
      2.800     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.13318E-02 ppm1      9.394 ppm2      7.660 CV     1
 ASSI {   74}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.000     2.000     2.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.38172E-03 ppm1      9.395 ppm2      4.893 CV     1
 ASSI {   75}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.19490E-02 ppm1      9.395 ppm2      4.589 CV     1
 ASSI {   78}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.600     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.18886E-02 ppm1      9.395 ppm2      1.611 CV     1
 ASSI {   79}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.400     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.52375E-02 ppm1      9.394 ppm2      1.536 CV     1
 OR {   79}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {   80}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.300     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.60811E-02 ppm1      9.395 ppm2      1.465 CV     1
 ASSI {   81}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.900     1.900     1.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.14579E-02 ppm1      9.396 ppm2      0.591 CV     1
 ASSI {   87}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.300     0.700     0.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.99302E-02 ppm1      7.679 ppm2      1.629 CV     1
 ASSI {   89}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.600     2.600     1.400 peak    89 spectrum    1 weight  0.10000E+01 volume  0.48187E-03 ppm1      7.678 ppm2      1.867 CV     1
 ASSI {   93}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.400     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.66006E-02 ppm1      7.916 ppm2      1.921 CV     1
 ASSI {   94}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.400     0.700     0.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.67451E-02 ppm1      7.916 ppm2      1.797 CV     1
 OR {   94}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
 ASSI {   98}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.900     1.900     1.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.55384E-03 ppm1      7.919 ppm2      2.875 CV     1
 ASSI {   99}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
      4.400     2.500     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.37554E-03 ppm1      7.919 ppm2      3.509 CV     1
 ASSI {  101}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.200     1.200 peak   101 spectrum    1 weight  0.10000E+01 volume  0.13072E-02 ppm1      7.680 ppm2      3.763 CV     1
 ASSI {  103}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.900     0.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.40311E-02 ppm1      7.916 ppm2      4.268 CV     1
 ASSI {  104}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.23162E-02 ppm1      7.917 ppm2      4.204 CV     1
 OR {  104}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  108}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.35933E-02 ppm1      7.680 ppm2      4.457 CV     1
 ASSI {  109}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      3.800     1.800     1.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.94884E-03 ppm1      7.681 ppm2      7.960 CV     1
 ASSI {  110}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.52658E-02 ppm1      7.680 ppm2      8.244 CV     1
 ASSI {  112}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.72590E-02 ppm1      7.916 ppm2      8.176 CV     1
 ASSI {  113}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.600     1.600     1.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.88845E-03 ppm1      7.915 ppm2      8.428 CV     1
 ASSI {  114}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.26367E-02 ppm1      7.916 ppm2      8.960 CV     1
 ASSI {  115}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.39460E-02 ppm1      8.545 ppm2      8.008 CV     1
 ASSI {  120}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.400     1.400 peak   120 spectrum    1 weight  0.10000E+01 volume  0.18462E-02 ppm1      8.588 ppm2      8.489 CV     1
 ASSI {  124}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   124 spectrum    1 weight  0.10000E+01 volume  0.17381E-02 ppm1      8.544 ppm2      4.300 CV     1
 ASSI {  128}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.000     1.100     1.100 peak   128 spectrum    1 weight  0.10000E+01 volume  0.34451E-02 ppm1      8.585 ppm2      2.864 CV     1
 ASSI {  131}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
      4.300     2.300     1.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.10405E-02 ppm1      8.544 ppm2      1.667 CV     1
 ASSI {  133}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 42   and name H5B ))
      4.100     2.100     1.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.78778E-03 ppm1      8.545 ppm2      1.178 CV     1
 OR {  133}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 42   and name H6A ))
 OR {  133}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 42   and name H5A ))
 OR {  133}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 42   and name H6B ))
 OR {  133}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {  133}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 42   and name H4B ))
 ASSI {  141}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.81458E-03 ppm1      7.911 ppm2      3.926 CV     1
 ASSI {  146}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.54736E-02 ppm1      8.177 ppm2      8.412 CV     1
 ASSI {  148}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.400     1.400 peak   148 spectrum    1 weight  0.10000E+01 volume  0.17191E-02 ppm1      8.177 ppm2      4.271 CV     1
 ASSI {  149}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      5.000     3.100     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.31757E-03 ppm1      8.180 ppm2      3.979 CV     1
 ASSI {  150}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.500     2.500     1.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.39546E-03 ppm1      8.177 ppm2      3.260 CV     1
 ASSI {  151}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.500     1.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.68449E-03 ppm1      8.176 ppm2      2.883 CV     1
 ASSI {  153}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.400     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.30631E-02 ppm1      8.176 ppm2      1.920 CV     1
 ASSI {  154}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.400     1.400 peak   154 spectrum    1 weight  0.10000E+01 volume  0.36123E-02 ppm1      8.178 ppm2      1.802 CV     1
 OR {  154}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
 ASSI {  156}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      4.600     2.600     1.400 peak   156 spectrum    1 weight  0.10000E+01 volume  0.47701E-03 ppm1      8.176 ppm2      1.025 CV     1
 ASSI {  160}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      3.000     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.20640E-02 ppm1      8.295 ppm2      2.275 CV     1
 ASSI {  164}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.41164E-03 ppm1      8.291 ppm2      4.474 CV     1
 ASSI {  165}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.52869E-02 ppm1      8.294 ppm2      7.549 CV     1
 ASSI {  169}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.500     0.800     0.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.47171E-02 ppm1      8.255 ppm2      1.605 CV     1
 ASSI {  174}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.93227E-03 ppm1      8.256 ppm2      7.008 CV     1
 ASSI {  175}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.000     2.000     2.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.73207E-03 ppm1      8.255 ppm2      8.968 CV     1
 ASSI {  177}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HE% )
      5.400     3.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.22922E-03 ppm1      8.255 ppm2      6.752 CV     1
 ASSI {  178}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.31326E-02 ppm1      7.944 ppm2      8.453 CV     1
 ASSI {  179}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.88382E-03 ppm1      7.940 ppm2      4.498 CV     1
 ASSI {  186}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.200     0.600     0.600 peak   186 spectrum    1 weight  0.10000E+01 volume  0.89158E-02 ppm1      7.943 ppm2      1.988 CV     1
 OR {  186}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  189}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.200     2.200     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.12297E-02 ppm1      7.941 ppm2      0.986 CV     1
 OR {  189}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  191}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   191 spectrum    1 weight  0.10000E+01 volume  0.33215E-02 ppm1      8.622 ppm2      2.660 CV     1
 ASSI {  192}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.000     1.100     1.100 peak   192 spectrum    1 weight  0.10000E+01 volume  0.28764E-02 ppm1      8.622 ppm2      2.883 CV     1
 ASSI {  194}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.900     1.100     1.100 peak   194 spectrum    1 weight  0.10000E+01 volume  0.43862E-02 ppm1      8.622 ppm2      3.894 CV     1
 ASSI {  196}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.27714E-02 ppm1      8.621 ppm2      4.259 CV     1
 ASSI {  197}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   197 spectrum    1 weight  0.10000E+01 volume  0.19733E-02 ppm1      8.621 ppm2      4.820 CV     1
 ASSI {  198}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.97702E-03 ppm1      8.620 ppm2      8.025 CV     1
 ASSI {  202}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.70666E-02 ppm1      8.466 ppm2      4.515 CV     1
 ASSI {  203}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak   203 spectrum    1 weight  0.10000E+01 volume  0.26837E-02 ppm1      8.466 ppm2      4.709 CV     1
 ASSI {  204}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.58177E-02 ppm1      8.466 ppm2      2.807 CV     1
 OR {  204}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  205}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.900     1.900     1.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.11632E-02 ppm1      8.465 ppm2      1.226 CV     1
 ASSI {  207}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.400     1.500     1.500 peak   207 spectrum    1 weight  0.10000E+01 volume  0.21675E-02 ppm1      7.246 ppm2      0.946 CV     1
 ASSI {  208}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.500     0.800     0.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.26026E-02 ppm1      7.246 ppm2      1.427 CV     1
 ASSI {  209}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.600     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.78948E-02 ppm1      7.246 ppm2      1.779 CV     1
 OR {  209}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  210}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.200     2.300     1.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.70646E-03 ppm1      7.247 ppm2      2.372 CV     1
 ASSI {  212}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.900     1.900     1.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.93351E-03 ppm1      7.245 ppm2      4.065 CV     1
 ASSI {  216}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.400     1.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.86669E-03 ppm1      7.246 ppm2      4.693 CV     1
 ASSI {  219}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.55199E-02 ppm1      7.246 ppm2      8.014 CV     1
 ASSI {  220}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.900     3.000     1.100 peak   220 spectrum    1 weight  0.10000E+01 volume  0.35273E-03 ppm1      7.247 ppm2      8.440 CV     1
 ASSI {  221}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.21661E-02 ppm1      8.190 ppm2      9.626 CV     1
 ASSI {  223}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.19629E-02 ppm1      8.188 ppm2      7.244 CV     1
 ASSI {  225}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.200     2.200     1.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.38863E-03 ppm1      8.189 ppm2      5.220 CV     1
 ASSI {  226}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.18713E-02 ppm1      8.188 ppm2      4.848 CV     1
 ASSI {  230}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.35448E-02 ppm1      8.190 ppm2      3.121 CV     1
 ASSI {  235}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.600     2.600     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.42775E-03 ppm1      8.190 ppm2      1.641 CV     1
 ASSI {  238}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.72791E-03 ppm1      8.189 ppm2      1.812 CV     1
 ASSI {  239}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.200     2.200     1.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.14173E-02 ppm1      8.188 ppm2      1.016 CV     1
 ASSI {  241}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      6.000     4.600     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.28562E-03 ppm1      8.018 ppm2      1.665 CV     1
 ASSI {  242}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.600     2.600     1.400 peak   242 spectrum    1 weight  0.10000E+01 volume  0.66484E-03 ppm1      8.016 ppm2      1.290 CV     1
 ASSI {  246}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.800     1.800     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.61551E-03 ppm1      7.959 ppm2      0.899 CV     1
 ASSI {  249}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.300     1.400     1.400 peak   249 spectrum    1 weight  0.10000E+01 volume  0.14218E-02 ppm1      7.957 ppm2      1.973 CV     1
 ASSI {  250}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      4.000     2.000     2.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.50579E-03 ppm1      7.966 ppm2      1.864 CV     1
 ASSI {  252}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.200     2.200     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.75887E-03 ppm1      8.015 ppm2      2.886 CV     1
 ASSI {  253}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.700     2.700     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.46107E-03 ppm1      8.018 ppm2      2.655 CV     1
 ASSI {  255}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
      3.600     1.600     1.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.86082E-03 ppm1      7.961 ppm2      4.050 CV     1
 OR {  255}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
 ASSI {  256}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak   256 spectrum    1 weight  0.10000E+01 volume  0.19222E-02 ppm1      8.017 ppm2      3.356 CV     1
 ASSI {  258}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.200     2.200     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.29742E-03 ppm1      7.959 ppm2      4.889 CV     1
 ASSI {  260}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.64653E-02 ppm1      8.017 ppm2      4.815 CV     1
 ASSI {  261}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.21881E-02 ppm1      8.017 ppm2      4.698 CV     1
 ASSI {  262}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak   262 spectrum    1 weight  0.10000E+01 volume  0.40403E-02 ppm1      8.017 ppm2      7.325 CV     1
 ASSI {  264}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.200     0.600     0.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.45404E-02 ppm1      8.017 ppm2      7.599 CV     1
 ASSI {  266}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.53290E-02 ppm1      7.960 ppm2      8.232 CV     1
 ASSI {  269}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.100     2.100     1.900 peak   269 spectrum    1 weight  0.10000E+01 volume  0.70311E-03 ppm1      9.173 ppm2      7.752 CV     1
 ASSI {  273}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      3.400     1.400     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.28781E-02 ppm1      9.176 ppm2      2.931 CV     1
 ASSI {  277}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.500     1.600     1.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.24296E-02 ppm1      9.173 ppm2      1.086 CV     1
 OR {  277}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  282}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.200     1.200 peak   282 spectrum    1 weight  0.10000E+01 volume  0.20100E-02 ppm1      8.476 ppm2      4.341 CV     1
 ASSI {  284}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.37958E-03 ppm1      8.472 ppm2      3.980 CV     1
 ASSI {  285}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      3.000     1.100     1.100 peak   285 spectrum    1 weight  0.10000E+01 volume  0.21756E-02 ppm1      8.474 ppm2      2.562 CV     1
 ASSI {  286}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      3.000     1.100     1.100 peak   286 spectrum    1 weight  0.10000E+01 volume  0.25811E-02 ppm1      8.475 ppm2      2.434 CV     1
 ASSI {  290}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.400     2.400     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.58388E-03 ppm1      8.475 ppm2      1.615 CV     1
 ASSI {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.72168E-03 ppm1      6.911 ppm2      1.639 CV     1
 OR {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HB2 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HG1 ))
 OR {  293}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  295}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      5.000     3.200     1.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.29961E-03 ppm1      6.921 ppm2      1.541 CV     1
 OR {  295}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
 OR {  295}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
 OR {  295}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
 ASSI {  296}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD1 ))
      3.800     3.800     2.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11000E-02 ppm1      6.908 ppm2      3.483 CV     1
 OR {  296}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HD1 ))
 OR {  296}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HD1 ))
 ASSI {  297}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD2 ))
      3.300     1.300     1.300 peak   297 spectrum    1 weight  0.10000E+01 volume  0.69051E-03 ppm1      6.913 ppm2      3.047 CV     1
 OR {  297}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HD2 ))
 OR {  297}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  298}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HE  ))
      3.300     3.300     2.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.13514E-02 ppm1      6.917 ppm2      9.051 CV     1
 OR {  298}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HE  ))
 OR {  298}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 72   and name HE  ))
 ASSI {  299}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.35437E-02 ppm1      8.776 ppm2      8.430 CV     1
 ASSI {  300}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.40564E-02 ppm1      8.777 ppm2      7.913 CV     1
 ASSI {  302}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak   302 spectrum    1 weight  0.10000E+01 volume  0.11266E-02 ppm1      8.775 ppm2      3.639 CV     1
 ASSI {  306}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.300     0.700     0.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.31906E-02 ppm1      8.776 ppm2      2.447 CV     1
 ASSI {  307}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.400     0.700     0.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.47219E-02 ppm1      8.775 ppm2      2.042 CV     1
 ASSI {  308}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   308 spectrum    1 weight  0.10000E+01 volume  0.67745E-02 ppm1      8.776 ppm2      1.656 CV     1
 ASSI {  311}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      4.400     2.500     1.600 peak   311 spectrum    1 weight  0.10000E+01 volume  0.34162E-03 ppm1      8.780 ppm2      0.534 CV     1
 ASSI {  315}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.900     1.900     1.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.17251E-02 ppm1      8.629 ppm2      2.088 CV     1
 OR {  315}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
 OR {  315}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  319}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      5.200     3.400     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.26009E-03 ppm1      8.631 ppm2      7.551 CV     1
 ASSI {  321}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.27393E-02 ppm1      8.630 ppm2      8.408 CV     1
 ASSI {  325}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.500     0.800     0.800 peak   325 spectrum    1 weight  0.10000E+01 volume  0.51088E-02 ppm1      8.534 ppm2      4.072 CV     1
 ASSI {  326}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.300     1.400     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.18757E-02 ppm1      8.534 ppm2      2.379 CV     1
 OR {  326}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  332}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.49662E-02 ppm1      7.935 ppm2      8.759 CV     1
 ASSI {  333}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.15288E-02 ppm1      7.904 ppm2      7.783 CV     1
 ASSI {  336}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      3.100     1.200     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.15459E-02 ppm1      7.879 ppm2      7.006 CV     1
 ASSI {  342}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.500     1.600     1.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.94277E-03 ppm1      7.936 ppm2      4.514 CV     1
 ASSI {  345}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.000     1.100     1.100 peak   345 spectrum    1 weight  0.10000E+01 volume  0.18059E-02 ppm1      7.875 ppm2      3.817 CV     1
 ASSI {  349}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.39409E-03 ppm1      7.937 ppm2      9.177 CV     1
 ASSI {  355}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.49290E-02 ppm1      7.907 ppm2      2.444 CV     1
 ASSI {  356}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.000     1.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.14337E-02 ppm1      7.908 ppm2      2.302 CV     1
 ASSI {  357}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   357 spectrum    1 weight  0.10000E+01 volume  0.41825E-02 ppm1      7.938 ppm2      2.202 CV     1
 ASSI {  359}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.000     2.000     2.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.12090E-02 ppm1      7.938 ppm2      1.899 CV     1
 ASSI {  361}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.300     1.400     1.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.83089E-03 ppm1      7.877 ppm2      1.875 CV     1
 ASSI {  362}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak   362 spectrum    1 weight  0.10000E+01 volume  0.54247E-02 ppm1      7.933 ppm2      1.662 CV     1
 ASSI {  375}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.39481E-02 ppm1      8.540 ppm2      8.170 CV     1
 ASSI {  376}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.22484E-02 ppm1      8.536 ppm2      8.604 CV     1
 ASSI {  377}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.27814E-02 ppm1      8.541 ppm2      4.308 CV     1
 ASSI {  380}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.400     2.500     1.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.72986E-03 ppm1      8.541 ppm2      2.337 CV     1
 OR {  380}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 OR {  380}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  381}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.500     2.600     1.500 peak   381 spectrum    1 weight  0.10000E+01 volume  0.54365E-03 ppm1      8.539 ppm2      1.732 CV     1
 ASSI {  382}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      3.900     1.900     1.900 peak   382 spectrum    1 weight  0.10000E+01 volume  0.82729E-03 ppm1      8.540 ppm2      1.647 CV     1
 ASSI {  388}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      3.800     1.800     1.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.86905E-03 ppm1      8.473 ppm2      1.068 CV     1
 OR {  388}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  393}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.900     1.900     1.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.18973E-02 ppm1      8.467 ppm2      0.808 CV     1
 ASSI {  397}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.400     0.700     0.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.49838E-02 ppm1      8.470 ppm2      1.908 CV     1
 ASSI {  400}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.600     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.56444E-03 ppm1      8.474 ppm2      3.920 CV     1
 ASSI {  411}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   411 spectrum    1 weight  0.10000E+01 volume  0.19042E-02 ppm1      8.413 ppm2      4.213 CV     1
 ASSI {  419}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.100     2.100     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.16132E-02 ppm1      8.414 ppm2      0.578 CV     1
 ASSI {  420}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak   420 spectrum    1 weight  0.10000E+01 volume  0.35398E-02 ppm1      8.304 ppm2      1.444 CV     1
 ASSI {  421}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.600     1.700     1.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.17080E-02 ppm1      8.302 ppm2      1.318 CV     1
 ASSI {  423}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.600     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.52411E-02 ppm1      8.303 ppm2      1.795 CV     1
 ASSI {  428}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak   428 spectrum    1 weight  0.10000E+01 volume  0.17654E-02 ppm1      8.304 ppm2      4.312 CV     1
 ASSI {  429}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.300     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.10389E-02 ppm1      8.305 ppm2      4.238 CV     1
 ASSI {  431}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 56   and name HD% )
      4.400     2.500     1.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.57272E-03 ppm1      8.302 ppm2      7.375 CV     1
 ASSI {  433}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.51763E-02 ppm1      8.303 ppm2      8.015 CV     1
 ASSI {  436}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   436 spectrum    1 weight  0.10000E+01 volume  0.38986E-02 ppm1      8.167 ppm2      8.002 CV     1
 ASSI {  437}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.31719E-02 ppm1      8.178 ppm2      7.867 CV     1
 ASSI {  438}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.100     1.100 peak   438 spectrum    1 weight  0.10000E+01 volume  0.25162E-02 ppm1      8.177 ppm2      4.592 CV     1
 ASSI {  439}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.200     1.300     1.300 peak   439 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      8.177 ppm2      4.826 CV     1
 ASSI {  444}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.63702E-03 ppm1      8.178 ppm2      3.853 CV     1
 ASSI {  447}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.200     1.300     1.300 peak   447 spectrum    1 weight  0.10000E+01 volume  0.41880E-02 ppm1      8.165 ppm2      2.196 CV     1
 ASSI {  448}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.600     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.34796E-02 ppm1      8.168 ppm2      1.990 CV     1
 ASSI {  449}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HG2 ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.10726E-02 ppm1      8.165 ppm2      1.736 CV     1
 ASSI {  454}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.400     1.500     1.500 peak   454 spectrum    1 weight  0.10000E+01 volume  0.16122E-02 ppm1      8.177 ppm2      1.373 CV     1
 ASSI {  461}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.31928E-02 ppm1      7.864 ppm2      2.697 CV     1
 OR {  461}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  462}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.20766E-02 ppm1      7.865 ppm2      2.628 CV     1
 ASSI {  463}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.500     1.500 peak   463 spectrum    1 weight  0.10000E+01 volume  0.33333E-02 ppm1      7.864 ppm2      2.997 CV     1
 ASSI {  467}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      4.600     2.700     1.400 peak   467 spectrum    1 weight  0.10000E+01 volume  0.27071E-03 ppm1      7.862 ppm2      4.810 CV     1
 OR {  467}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  469}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.29989E-02 ppm1      7.864 ppm2      7.935 CV     1
 ASSI {  470}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.44158E-03 ppm1      7.861 ppm2      8.750 CV     1
 ASSI {  471}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.500     1.600     1.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.11495E-02 ppm1      7.865 ppm2      9.178 CV     1
 ASSI {  472}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.33027E-02 ppm1      8.757 ppm2      8.089 CV     1
 ASSI {  474}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.400     1.400     1.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.13951E-02 ppm1      8.758 ppm2      7.291 CV     1
 ASSI {  475}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak   475 spectrum    1 weight  0.10000E+01 volume  0.17196E-02 ppm1      8.757 ppm2      4.597 CV     1
 ASSI {  476}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.400     1.400 peak   476 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      8.757 ppm2      4.185 CV     1
 ASSI {  477}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.200     2.200     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.49334E-03 ppm1      8.760 ppm2      3.849 CV     1
 ASSI {  483}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.63470E-02 ppm1      8.757 ppm2      2.033 CV     1
 ASSI {  485}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.17678E-02 ppm1      8.757 ppm2      1.661 CV     1
 ASSI {  486}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.400     2.400     1.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.94863E-03 ppm1      8.757 ppm2      1.436 CV     1
 ASSI {  487}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.400     2.400     1.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.92641E-03 ppm1      8.757 ppm2      1.284 CV     1
 ASSI {  488}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.500     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.65054E-03 ppm1      8.753 ppm2      1.098 CV     1
 ASSI {  489}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.600     2.700     1.400 peak   489 spectrum    1 weight  0.10000E+01 volume  0.45940E-03 ppm1      8.755 ppm2      1.033 CV     1
 ASSI {  493}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      4.600     2.700     1.400 peak   493 spectrum    1 weight  0.10000E+01 volume  0.68763E-03 ppm1      8.606 ppm2      0.836 CV     1
 ASSI {  496}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.13288E-02 ppm1      8.605 ppm2      1.404 CV     1
 ASSI {  497}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.600     2.600     1.400 peak   497 spectrum    1 weight  0.10000E+01 volume  0.47084E-03 ppm1      8.605 ppm2      2.052 CV     1
 ASSI {  498}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   498 spectrum    1 weight  0.10000E+01 volume  0.63784E-02 ppm1      8.606 ppm2      2.349 CV     1
 OR {  498}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  501}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.57580E-03 ppm1      8.608 ppm2      3.922 CV     1
 ASSI {  516}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.300     1.400     1.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.19682E-02 ppm1      8.435 ppm2      1.936 CV     1
 ASSI {  519}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.29477E-02 ppm1      8.433 ppm2      1.033 CV     1
 ASSI {  521}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      2.600     0.900     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.20260E-02 ppm1      8.292 ppm2      0.840 CV     1
 ASSI {  522}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD1%)
      4.000     2.000     2.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.14543E-02 ppm1      8.291 ppm2      0.730 CV     1
 ASSI {  525}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.300     0.700     0.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.36427E-02 ppm1      8.290 ppm2      1.458 CV     1
 ASSI {  527}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      3.200     1.300     1.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.42742E-02 ppm1      8.291 ppm2      1.747 CV     1
 ASSI {  528}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.400     0.700     0.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.44092E-02 ppm1      8.291 ppm2      1.631 CV     1
 ASSI {  535}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   535 spectrum    1 weight  0.10000E+01 volume  0.49742E-02 ppm1      8.290 ppm2      7.716 CV     1
 ASSI {  536}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.35799E-02 ppm1      8.290 ppm2      8.432 CV     1
 ASSI {  538}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.82430E-03 ppm1      8.268 ppm2      8.563 CV     1
 ASSI {  540}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.28459E-02 ppm1      8.263 ppm2      7.791 CV     1
 ASSI {  541}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HE  ))
      4.500     2.500     1.500 peak   541 spectrum    1 weight  0.10000E+01 volume  0.52118E-03 ppm1      8.262 ppm2      7.533 CV     1
 ASSI {  544}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.000     1.100     1.100 peak   544 spectrum    1 weight  0.10000E+01 volume  0.21780E-02 ppm1      8.267 ppm2      2.730 CV     1
 ASSI {  545}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      2.300     0.700     0.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.35329E-02 ppm1      8.262 ppm2      2.624 CV     1
 ASSI {  547}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.200     0.600     0.600 peak   547 spectrum    1 weight  0.10000E+01 volume  0.97286E-02 ppm1      8.268 ppm2      2.339 CV     1
 OR {  547}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  551}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak   551 spectrum    1 weight  0.10000E+01 volume  0.39175E-02 ppm1      8.236 ppm2      1.622 CV     1
 ASSI {  554}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.000     2.000     2.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.17535E-02 ppm1      8.261 ppm2      1.123 CV     1
 ASSI {  556}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.700     2.800     1.300 peak   556 spectrum    1 weight  0.10000E+01 volume  0.51819E-03 ppm1      8.269 ppm2      0.578 CV     1
 ASSI {  557}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      5.100     3.200     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.37393E-03 ppm1      8.269 ppm2      0.391 CV     1
 ASSI {  560}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.900     1.000     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.37713E-02 ppm1      8.231 ppm2      1.965 CV     1
 ASSI {  563}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.13084E-02 ppm1      8.231 ppm2      4.890 CV     1
 ASSI {  576}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.700     2.800     1.300 peak   576 spectrum    1 weight  0.10000E+01 volume  0.57164E-03 ppm1      8.006 ppm2      2.193 CV     1
 ASSI {  582}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      4.900     3.000     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.44458E-03 ppm1      7.716 ppm2      0.997 CV     1
 ASSI {  584}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.200     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.97882E-02 ppm1      7.715 ppm2      1.630 CV     1
 ASSI {  589}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   589 spectrum    1 weight  0.10000E+01 volume  0.14980E-02 ppm1      7.715 ppm2      4.187 CV     1
 ASSI {  590}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.300     1.300 peak   590 spectrum    1 weight  0.10000E+01 volume  0.13223E-02 ppm1      7.715 ppm2      4.034 CV     1
 ASSI {  594}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.35199E-02 ppm1      7.715 ppm2      8.090 CV     1
 ASSI {  595}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   595 spectrum    1 weight  0.10000E+01 volume  0.83583E-03 ppm1      7.714 ppm2      8.436 CV     1
 ASSI {  598}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   598 spectrum    1 weight  0.10000E+01 volume  0.41701E-02 ppm1      8.286 ppm2      8.544 CV     1
 ASSI {  599}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   599 spectrum    1 weight  0.10000E+01 volume  0.44380E-02 ppm1      8.287 ppm2      8.468 CV     1
 ASSI {  601}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.37142E-02 ppm1      8.286 ppm2      4.421 CV     1
 ASSI {  603}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.400     1.400 peak   603 spectrum    1 weight  0.10000E+01 volume  0.13850E-02 ppm1      8.287 ppm2      4.251 CV     1
 ASSI {  604}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.900     3.000     1.100 peak   604 spectrum    1 weight  0.10000E+01 volume  0.47625E-03 ppm1      8.287 ppm2      2.554 CV     1
 ASSI {  605}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.700     2.700     1.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.65579E-03 ppm1      8.285 ppm2      2.439 CV     1
 ASSI {  606}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.300     1.400     1.400 peak   606 spectrum    1 weight  0.10000E+01 volume  0.23231E-02 ppm1      8.286 ppm2      2.335 CV     1
 ASSI {  607}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.19776E-02 ppm1      8.286 ppm2      2.203 CV     1
 ASSI {  608}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      4.100     2.100     1.900 peak   608 spectrum    1 weight  0.10000E+01 volume  0.10363E-02 ppm1      8.284 ppm2      1.584 CV     1
 ASSI {  609}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.000     2.000     2.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.11876E-02 ppm1      8.286 ppm2      1.093 CV     1
 ASSI {  610}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.800     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.25911E-03 ppm1      8.285 ppm2      0.400 CV     1
 ASSI {  611}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.500     1.600     1.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16399E-02 ppm1      7.920 ppm2      1.084 CV     1
 OR {  611}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  613}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      3.300     1.300     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.46469E-03 ppm1      7.916 ppm2      1.474 CV     1
 ASSI {  615}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.800     0.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.30207E-02 ppm1      7.920 ppm2      1.873 CV     1
 ASSI {  617}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD1 ))
      4.400     2.400     1.600 peak   617 spectrum    1 weight  0.10000E+01 volume  0.66165E-03 ppm1      7.921 ppm2      3.258 CV     1
 OR {  617}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI {  619}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.300     1.300     1.300 peak   619 spectrum    1 weight  0.10000E+01 volume  0.21130E-02 ppm1      7.921 ppm2      4.131 CV     1
 ASSI {  620}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      2.900     1.100     1.100 peak   620 spectrum    1 weight  0.10000E+01 volume  0.22374E-02 ppm1      7.921 ppm2      4.010 CV     1
 ASSI {  623}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.34651E-02 ppm1      7.921 ppm2      4.611 CV     1
 ASSI {  624}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   624 spectrum    1 weight  0.10000E+01 volume  0.84488E-02 ppm1      7.921 ppm2      7.750 CV     1
 ASSI {  625}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     0.800     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.50124E-02 ppm1      7.920 ppm2      8.197 CV     1
 ASSI {  626}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.68969E-03 ppm1      7.692 ppm2      8.426 CV     1
 ASSI {  631}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      3.700     1.700     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.12044E-02 ppm1      7.687 ppm2      2.450 CV     1
 OR {  631}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {  634}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.500     1.600     1.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.60878E-03 ppm1      7.687 ppm2      2.139 CV     1
 ASSI {  637}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.800     2.900     1.200 peak   637 spectrum    1 weight  0.10000E+01 volume  0.38456E-03 ppm1      7.690 ppm2      1.046 CV     1
 ASSI {  638}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.100     2.100     1.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      7.600 ppm2      0.520 CV     1
 ASSI {  639}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.300     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.18390E-02 ppm1      7.600 ppm2      0.819 CV     1
 ASSI {  641}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      2.200     0.600     0.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.43823E-02 ppm1      7.600 ppm2      1.288 CV     1
 ASSI {  646}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.600     2.600     1.400 peak   646 spectrum    1 weight  0.10000E+01 volume  0.90208E-03 ppm1      7.602 ppm2      4.816 CV     1
 ASSI {  647}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   647 spectrum    1 weight  0.10000E+01 volume  0.87893E-03 ppm1      7.599 ppm2      4.697 CV     1
 ASSI {  650}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      3.300     1.400     1.400 peak   650 spectrum    1 weight  0.10000E+01 volume  0.10796E-02 ppm1      7.598 ppm2      7.328 CV     1
 ASSI {  652}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak   652 spectrum    1 weight  0.10000E+01 volume  0.44745E-03 ppm1      7.681 ppm2      8.896 CV     1
 ASSI {  653}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.400     0.700     0.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.66387E-02 ppm1      7.549 ppm2      0.998 CV     1
 OR {  653}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  655}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak   655 spectrum    1 weight  0.10000E+01 volume  0.14663E-02 ppm1      7.549 ppm2      2.088 CV     1
 OR {  655}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
 OR {  655}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI {  659}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.400     1.400     1.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.68269E-03 ppm1      7.550 ppm2      2.870 CV     1
 ASSI {  660}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.900     1.900     1.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.65209E-03 ppm1      7.550 ppm2      2.733 CV     1
 ASSI {  662}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.100     1.100 peak   662 spectrum    1 weight  0.10000E+01 volume  0.30862E-02 ppm1      7.549 ppm2      4.637 CV     1
 ASSI {  672}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   672 spectrum    1 weight  0.10000E+01 volume  0.31418E-02 ppm1      8.900 ppm2      4.889 CV     1
 ASSI {  676}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.300     2.300     1.700 peak   676 spectrum    1 weight  0.10000E+01 volume  0.75270E-03 ppm1      8.989 ppm2      2.241 CV     1
 OR {  676}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  677}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.13433E-02 ppm1      8.979 ppm2      2.040 CV     1
 ASSI {  678}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.31089E-02 ppm1      8.982 ppm2      1.870 CV     1
 ASSI {  680}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.500     2.500     1.500 peak   680 spectrum    1 weight  0.10000E+01 volume  0.72477E-03 ppm1      8.983 ppm2      1.559 CV     1
 ASSI {  686}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      3.900     1.900     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.72883E-03 ppm1      8.898 ppm2      0.998 CV     1
 OR {  686}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  687}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.200     1.300     1.300 peak   687 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      8.899 ppm2      0.909 CV     1
 ASSI {  691}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.400     0.700     0.700 peak   691 spectrum    1 weight  0.10000E+01 volume  0.39280E-02 ppm1      8.899 ppm2      1.911 CV     1
 ASSI {  692}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.200     2.200     1.800 peak   692 spectrum    1 weight  0.10000E+01 volume  0.82183E-03 ppm1      8.899 ppm2      1.805 CV     1
 ASSI {  695}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.600     0.800     0.800 peak   695 spectrum    1 weight  0.10000E+01 volume  0.28401E-02 ppm1      8.899 ppm2      2.799 CV     1
 ASSI {  696}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.200     1.300     1.300 peak   696 spectrum    1 weight  0.10000E+01 volume  0.43026E-02 ppm1      8.899 ppm2      3.103 CV     1
 ASSI {  697}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.14512E-02 ppm1      8.900 ppm2      4.498 CV     1
 ASSI {  699}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      4.700     2.700     1.300 peak   699 spectrum    1 weight  0.10000E+01 volume  0.71284E-03 ppm1      8.899 ppm2      4.034 CV     1
 OR {  699}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  701}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak   701 spectrum    1 weight  0.10000E+01 volume  0.12690E-02 ppm1      8.899 ppm2      3.764 CV     1
 ASSI {  702}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.800     0.800 peak   702 spectrum    1 weight  0.10000E+01 volume  0.39144E-02 ppm1      8.899 ppm2      8.277 CV     1
 ASSI {  706}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      3.900     1.900     1.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.53584E-03 ppm1      8.897 ppm2      7.489 CV     1
 ASSI {  707}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.37948E-02 ppm1      8.899 ppm2      8.471 CV     1
 ASSI {  709}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.500     1.600     1.600 peak   709 spectrum    1 weight  0.10000E+01 volume  0.62493E-03 ppm1      8.654 ppm2      4.281 CV     1
 ASSI {  710}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      4.500     2.500     1.500 peak   710 spectrum    1 weight  0.10000E+01 volume  0.33370E-03 ppm1      8.653 ppm2      4.177 CV     1
 ASSI {  718}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.600     0.800     0.800 peak   718 spectrum    1 weight  0.10000E+01 volume  0.35808E-02 ppm1      8.430 ppm2      7.938 CV     1
 ASSI {  719}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.600     2.700     1.400 peak   719 spectrum    1 weight  0.10000E+01 volume  0.57323E-03 ppm1      8.422 ppm2      7.253 CV     1
 ASSI {  727}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.800     0.800 peak   727 spectrum    1 weight  0.10000E+01 volume  0.52647E-02 ppm1      8.429 ppm2      2.780 CV     1
 ASSI {  728}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.300     0.700     0.700 peak   728 spectrum    1 weight  0.10000E+01 volume  0.37737E-02 ppm1      8.428 ppm2      2.044 CV     1
 ASSI {  734}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
      2.900     1.000     1.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      7.862 ppm2      1.590 CV     1
 ASSI {  735}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.900     1.900     1.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.82374E-03 ppm1      7.862 ppm2      2.493 CV     1
 ASSI {  736}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      4.300     2.300     1.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.62683E-03 ppm1      7.859 ppm2      2.411 CV     1
 ASSI {  738}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.600     0.800     0.800 peak   738 spectrum    1 weight  0.10000E+01 volume  0.36643E-02 ppm1      7.863 ppm2      2.098 CV     1
 ASSI {  743}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.900     0.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.33376E-02 ppm1      7.862 ppm2      7.954 CV     1
 ASSI {  753}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak   753 spectrum    1 weight  0.10000E+01 volume  0.31107E-02 ppm1      9.628 ppm2      2.137 CV     1
 ASSI {  754}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.100     2.100     1.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.49879E-03 ppm1      9.631 ppm2      1.810 CV     1
 ASSI {  755}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.100     2.200     1.900 peak   755 spectrum    1 weight  0.10000E+01 volume  0.13135E-02 ppm1      8.435 ppm2      1.036 CV     1
 ASSI {  757}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.500     1.600     1.600 peak   757 spectrum    1 weight  0.10000E+01 volume  0.24015E-02 ppm1      8.433 ppm2      1.425 CV     1
 ASSI {  759}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      2.300     0.700     0.700 peak   759 spectrum    1 weight  0.10000E+01 volume  0.36331E-02 ppm1      8.434 ppm2      1.921 CV     1
 ASSI {  761}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.600     1.600     1.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.21816E-02 ppm1      8.434 ppm2      1.629 CV     1
 ASSI {  762}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.600     1.600     1.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.22040E-02 ppm1      8.434 ppm2      2.201 CV     1
 ASSI {  763}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.900     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.22933E-02 ppm1      8.434 ppm2      3.001 CV     1
 OR {  763}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  765}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      4.700     2.700     1.300 peak   765 spectrum    1 weight  0.10000E+01 volume  0.53722E-03 ppm1      8.434 ppm2      3.327 CV     1
 ASSI {  766}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.100     0.500     0.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.97728E-02 ppm1      8.434 ppm2      4.358 CV     1
 ASSI {  767}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     1.000     1.000 peak   767 spectrum    1 weight  0.10000E+01 volume  0.20901E-02 ppm1      8.435 ppm2      4.676 CV     1
 ASSI {  770}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.100     2.100     1.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.10743E-02 ppm1      8.438 ppm2      8.178 CV     1
 ASSI {  772}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     0.700     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.45539E-02 ppm1      8.408 ppm2      7.548 CV     1
 ASSI {  773}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     0.900     0.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.39359E-02 ppm1      8.407 ppm2      4.635 CV     1
 ASSI {  775}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.000     1.100     1.100 peak   775 spectrum    1 weight  0.10000E+01 volume  0.22190E-02 ppm1      8.408 ppm2      2.869 CV     1
 ASSI {  778}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak   778 spectrum    1 weight  0.10000E+01 volume  0.77400E-03 ppm1      8.407 ppm2      2.090 CV     1
 OR {  778}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
 OR {  778}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
 ASSI {  780}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.600     2.700     1.400 peak   780 spectrum    1 weight  0.10000E+01 volume  0.70512E-03 ppm1      8.408 ppm2      1.002 CV     1
 OR {  780}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  781}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      2.300     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.77755E-02 ppm1      7.754 ppm2      1.082 CV     1
 OR {  781}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  784}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak   784 spectrum    1 weight  0.10000E+01 volume  0.14618E-02 ppm1      7.771 ppm2      1.870 CV     1
 ASSI {  785}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.600     1.600     1.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.11123E-02 ppm1      7.758 ppm2      1.727 CV     1
 ASSI {  786}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.500     1.500     1.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.27556E-02 ppm1      7.778 ppm2      1.631 CV     1
 OR {  786}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  787}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      4.100     2.100     1.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.81412E-03 ppm1      7.779 ppm2      1.549 CV     1
 ASSI {  788}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      2.700     0.900     0.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.32724E-02 ppm1      7.779 ppm2      2.560 CV     1
 ASSI {  790}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.300     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.42082E-02 ppm1      7.779 ppm2      2.412 CV     1
 ASSI {  792}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.300     2.300     1.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.37335E-03 ppm1      7.775 ppm2      3.051 CV     1
 ASSI {  793}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.75779E-03 ppm1      7.780 ppm2      3.638 CV     1
 ASSI {  796}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.28737E-02 ppm1      7.756 ppm2      4.526 CV     1
 ASSI {  798}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.400     1.400 peak   798 spectrum    1 weight  0.10000E+01 volume  0.10969E-02 ppm1      7.778 ppm2      7.412 CV     1
 ASSI {  800}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.24262E-02 ppm1      7.778 ppm2      8.980 CV     1
 ASSI {  802}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.000     1.100     1.100 peak   802 spectrum    1 weight  0.10000E+01 volume  0.20117E-02 ppm1      8.830 ppm2      8.177 CV     1
 ASSI {  803}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.800     2.900     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.27511E-03 ppm1      8.825 ppm2      9.170 CV     1
 ASSI {  804}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.300     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.77333E-02 ppm1      8.829 ppm2      4.809 CV     1
 OR {  804}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI {  805}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.800     1.000     1.000 peak   805 spectrum    1 weight  0.10000E+01 volume  0.29667E-02 ppm1      8.830 ppm2      4.293 CV     1
 ASSI {  806}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.28470E-02 ppm1      8.830 ppm2      3.853 CV     1
 ASSI {  807}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.800     2.900     1.200 peak   807 spectrum    1 weight  0.10000E+01 volume  0.47728E-03 ppm1      8.830 ppm2      2.704 CV     1
 OR {  807}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  810}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      5.400     3.700     0.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.35408E-03 ppm1      8.364 ppm2      0.810 CV     1
 ASSI {  811}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.900     3.000     1.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.39959E-03 ppm1      8.360 ppm2      0.673 CV     1
 ASSI {  814}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      4.400     2.400     1.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.51437E-03 ppm1      8.360 ppm2      1.487 CV     1
 ASSI {  815}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.900     1.900     1.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.61809E-03 ppm1      8.361 ppm2      1.334 CV     1
 ASSI {  817}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.100     1.200     1.200 peak   817 spectrum    1 weight  0.10000E+01 volume  0.27705E-02 ppm1      8.361 ppm2      3.973 CV     1
 ASSI {  819}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   819 spectrum    1 weight  0.10000E+01 volume  0.49562E-02 ppm1      8.363 ppm2      4.376 CV     1
 ASSI {  821}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.40762E-02 ppm1      8.363 ppm2      8.472 CV     1
 ASSI {  824}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.500     1.500 peak   824 spectrum    1 weight  0.10000E+01 volume  0.15858E-02 ppm1      8.076 ppm2      8.587 CV     1
 ASSI {  825}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.200     1.200 peak   825 spectrum    1 weight  0.10000E+01 volume  0.18809E-02 ppm1      8.076 ppm2      8.484 CV     1
 ASSI {  827}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.28963E-02 ppm1      8.075 ppm2      4.334 CV     1
 ASSI {  829}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.65687E-03 ppm1      8.086 ppm2      4.600 CV     1
 ASSI {  832}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak   832 spectrum    1 weight  0.10000E+01 volume  0.33510E-02 ppm1      8.090 ppm2      4.034 CV     1
 ASSI {  833}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.700     0.900     0.900 peak   833 spectrum    1 weight  0.10000E+01 volume  0.48634E-02 ppm1      8.076 ppm2      4.063 CV     1
 OR {  833}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  834}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   834 spectrum    1 weight  0.10000E+01 volume  0.92780E-03 ppm1      8.089 ppm2      3.599 CV     1
 ASSI {  839}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.200     3.200     2.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.46696E-03 ppm1      8.076 ppm2      2.807 CV     1
 OR {  839}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  842}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.800     1.000     1.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.23830E-02 ppm1      8.089 ppm2      1.914 CV     1
 ASSI {  843}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.200     1.300     1.300 peak   843 spectrum    1 weight  0.10000E+01 volume  0.11338E-02 ppm1      8.087 ppm2      1.668 CV     1
 ASSI {  844}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      5.000     3.200     1.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.42471E-03 ppm1      8.087 ppm2      1.435 CV     1
 ASSI {  847}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.100     1.200     1.200 peak   847 spectrum    1 weight  0.10000E+01 volume  0.27194E-02 ppm1      8.076 ppm2      1.216 CV     1
 ASSI {  848}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG2 ))
      4.000     2.000     2.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.38601E-03 ppm1      8.090 ppm2      1.285 CV     1
 ASSI {  854}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     1.500     1.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.99827E-03 ppm1      7.694 ppm2      4.860 CV     1
 ASSI {  856}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.000     1.100     1.100 peak   856 spectrum    1 weight  0.10000E+01 volume  0.20297E-02 ppm1      7.697 ppm2      3.001 CV     1
 OR {  856}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  857}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.26685E-02 ppm1      7.697 ppm2      2.335 CV     1
 ASSI {  858}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      2.700     0.900     0.900 peak   858 spectrum    1 weight  0.10000E+01 volume  0.30348E-02 ppm1      7.695 ppm2      1.873 CV     1
 ASSI {  859}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.500     0.500 peak   859 spectrum    1 weight  0.10000E+01 volume  0.34397E-02 ppm1      7.696 ppm2      1.476 CV     1
 ASSI {  860}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     1.100     1.100 peak   860 spectrum    1 weight  0.10000E+01 volume  0.22199E-02 ppm1      7.697 ppm2      1.057 CV     1
 ASSI {  861}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.600     2.600     1.400 peak   861 spectrum    1 weight  0.10000E+01 volume  0.10684E-02 ppm1      7.693 ppm2      0.946 CV     1
 ASSI {  863}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HD2%)
      3.100     1.200     1.200 peak   863 spectrum    1 weight  0.10000E+01 volume  0.10754E-02 ppm1      9.178 ppm2      0.597 CV     1
 ASSI {  864}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      3.200     1.300     1.300 peak   864 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      9.180 ppm2      1.546 CV     1
 OR {  864}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  865}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.94668E-03 ppm1      9.179 ppm2      1.469 CV     1
 ASSI {  868}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.800     1.800     1.800 peak   868 spectrum    1 weight  0.10000E+01 volume  0.28234E-02 ppm1      9.180 ppm2      2.995 CV     1
 ASSI {  870}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   870 spectrum    1 weight  0.10000E+01 volume  0.11466E-02 ppm1      9.180 ppm2      4.800 CV     1
 ASSI {  872}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      4.200     2.200     1.800 peak   872 spectrum    1 weight  0.10000E+01 volume  0.77960E-03 ppm1      9.180 ppm2      9.377 CV     1
 ASSI {  876}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     1.400     1.400 peak   876 spectrum    1 weight  0.10000E+01 volume  0.36478E-02 ppm1      8.962 ppm2      4.333 CV     1
 ASSI {  877}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.400     0.700     0.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.66124E-02 ppm1      8.962 ppm2      4.204 CV     1
 OR {  877}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  879}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.300     1.300     1.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.31676E-02 ppm1      8.962 ppm2      2.878 CV     1
 ASSI {  880}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.500     0.800     0.800 peak   880 spectrum    1 weight  0.10000E+01 volume  0.53676E-02 ppm1      8.961 ppm2      3.261 CV     1
 ASSI {  883}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.900     3.000     1.100 peak   883 spectrum    1 weight  0.10000E+01 volume  0.27428E-03 ppm1      8.965 ppm2      0.572 CV     1
 ASSI {  884}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.000     1.100     1.100 peak   884 spectrum    1 weight  0.10000E+01 volume  0.31256E-02 ppm1      8.255 ppm2      1.225 CV     1
 ASSI {  886}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
      4.400     2.500     1.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.63295E-03 ppm1      8.254 ppm2      2.384 CV     1
 OR {  886}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  887}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.600     1.600     1.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.15513E-02 ppm1      8.255 ppm2      2.218 CV     1
 ASSI {  888}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.300     2.400     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.87559E-03 ppm1      8.256 ppm2      2.046 CV     1
 ASSI {  889}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     0.700     0.700 peak   889 spectrum    1 weight  0.10000E+01 volume  0.80373E-02 ppm1      8.255 ppm2      4.456 CV     1
 ASSI {  890}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.200     1.300     1.300 peak   890 spectrum    1 weight  0.10000E+01 volume  0.21101E-02 ppm1      8.255 ppm2      4.352 CV     1
 ASSI {  891}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.24304E-02 ppm1      8.254 ppm2      8.535 CV     1
 ASSI {  892}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.100     1.200     1.200 peak   892 spectrum    1 weight  0.10000E+01 volume  0.20406E-02 ppm1      8.254 ppm2      8.454 CV     1
 ASSI {  893}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.51034E-02 ppm1      7.795 ppm2      7.907 CV     1
 ASSI {  895}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.28485E-02 ppm1      7.795 ppm2      4.555 CV     1
 ASSI {  897}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak   897 spectrum    1 weight  0.10000E+01 volume  0.20641E-02 ppm1      7.795 ppm2      4.190 CV     1
 ASSI {  898}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.31652E-02 ppm1      7.795 ppm2      4.108 CV     1
 ASSI {  901}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.700     2.800     1.300 peak   901 spectrum    1 weight  0.10000E+01 volume  0.42009E-03 ppm1      7.793 ppm2      2.624 CV     1
 ASSI {  903}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.600     1.600     1.600 peak   903 spectrum    1 weight  0.10000E+01 volume  0.18108E-02 ppm1      7.795 ppm2      2.231 CV     1
 ASSI {  904}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak   904 spectrum    1 weight  0.10000E+01 volume  0.92538E-03 ppm1      7.794 ppm2      2.113 CV     1
 ASSI {  905}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.600     2.700     1.400 peak   905 spectrum    1 weight  0.10000E+01 volume  0.69612E-03 ppm1      7.795 ppm2      1.506 CV     1
 ASSI {  907}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      4.700     2.700     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.38913E-03 ppm1      7.798 ppm2      1.036 CV     1
 ASSI {  908}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      5.000     3.100     1.000 peak   908 spectrum    1 weight  0.10000E+01 volume  0.30731E-03 ppm1      8.099 ppm2      1.414 CV     1
 ASSI {  910}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.400     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.40706E-02 ppm1      8.101 ppm2      2.346 CV     1
 OR {  910}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  913}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     2.800     3.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.25549E-02 ppm1      8.101 ppm2      4.232 CV     1
 ASSI {  915}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.400     0.700     0.700 peak   915 spectrum    1 weight  0.10000E+01 volume  0.71556E-02 ppm1      8.101 ppm2      4.085 CV     1
 OR {  915}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  916}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak   916 spectrum    1 weight  0.10000E+01 volume  0.49281E-02 ppm1      8.101 ppm2      8.294 CV     1
 ASSI {  917}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   917 spectrum    1 weight  0.10000E+01 volume  0.39393E-02 ppm1      8.101 ppm2      8.606 CV     1
 ASSI {  920}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.400     1.400     1.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.10610E-02 ppm1      8.018 ppm2      7.264 CV     1
 ASSI {  922}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   922 spectrum    1 weight  0.10000E+01 volume  0.16630E-02 ppm1      8.018 ppm2      4.807 CV     1
 ASSI {  923}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak   923 spectrum    1 weight  0.10000E+01 volume  0.85254E-03 ppm1      8.019 ppm2      4.303 CV     1
 ASSI {  924}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.500     1.500 peak   924 spectrum    1 weight  0.10000E+01 volume  0.65152E-03 ppm1      8.019 ppm2      4.201 CV     1
 ASSI {  927}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.500     0.800     0.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.31324E-02 ppm1      8.018 ppm2      2.878 CV     1
 ASSI {  928}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.400     1.500     1.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      8.018 ppm2      1.444 CV     1
 ASSI {  929}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.600     2.700     1.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.50698E-03 ppm1      8.016 ppm2      1.319 CV     1
 ASSI {  930}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.900     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.12291E-02 ppm1      8.021 ppm2      1.796 CV     1
 ASSI {  935}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.800     2.800     1.200 peak   935 spectrum    1 weight  0.10000E+01 volume  0.49766E-03 ppm1      7.247 ppm2      2.339 CV     1
 OR {  935}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  937}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.500     1.500 peak   937 spectrum    1 weight  0.10000E+01 volume  0.66608E-03 ppm1      7.250 ppm2      2.880 CV     1
 ASSI {  940}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
      2.800     1.000     1.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.31599E-02 ppm1      7.250 ppm2      4.098 CV     1
 OR {  940}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  942}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.24051E-02 ppm1      7.254 ppm2      4.548 CV     1
 ASSI {  943}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.800     0.800 peak   943 spectrum    1 weight  0.10000E+01 volume  0.38365E-02 ppm1      7.249 ppm2      7.976 CV     1
 ASSI {  946}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.19912E-02 ppm1      8.016 ppm2      7.599 CV     1
 ASSI {  953}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.200     1.300     1.300 peak   953 spectrum    1 weight  0.10000E+01 volume  0.16173E-02 ppm1      8.016 ppm2      3.043 CV     1
 ASSI {  955}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      4.600     2.600     1.400 peak   955 spectrum    1 weight  0.10000E+01 volume  0.42922E-03 ppm1      8.014 ppm2      1.749 CV     1
 ASSI {  956}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.700     1.700     1.700 peak   956 spectrum    1 weight  0.10000E+01 volume  0.11666E-02 ppm1      8.014 ppm2      1.653 CV     1
 ASSI {  957}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.82009E-03 ppm1      8.018 ppm2      1.072 CV     1
 ASSI {  958}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.800     2.900     1.200 peak   958 spectrum    1 weight  0.10000E+01 volume  0.41067E-03 ppm1      8.015 ppm2      1.288 CV     1
 ASSI {  960}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.600     1.700     1.700 peak   960 spectrum    1 weight  0.10000E+01 volume  0.12071E-02 ppm1      8.577 ppm2      4.066 CV     1
 ASSI {  962}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.700     0.900     0.900 peak   962 spectrum    1 weight  0.10000E+01 volume  0.42276E-02 ppm1      8.577 ppm2      3.894 CV     1
 ASSI {  963}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   963 spectrum    1 weight  0.10000E+01 volume  0.39872E-02 ppm1      8.578 ppm2      4.342 CV     1
 ASSI {  964}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.32043E-02 ppm1      8.577 ppm2      4.254 CV     1
 ASSI {  965}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.100     1.200     1.200 peak   965 spectrum    1 weight  0.10000E+01 volume  0.18841E-02 ppm1      8.577 ppm2      8.367 CV     1
 ASSI {  966}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     1.400     1.400 peak   966 spectrum    1 weight  0.10000E+01 volume  0.17720E-02 ppm1      8.486 ppm2      2.806 CV     1
 OR {  966}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  967}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
      2.400     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.93757E-02 ppm1      8.487 ppm2      4.066 CV     1
 OR {  967}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 ASSI {  968}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.300     2.300     1.700 peak   968 spectrum    1 weight  0.10000E+01 volume  0.47363E-03 ppm1      8.486 ppm2      4.345 CV     1
 ASSI {  969}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.42130E-02 ppm1      8.487 ppm2      4.712 CV     1
 ASSI {  973}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.44403E-02 ppm1      8.275 ppm2      7.680 CV     1
 ASSI {  974}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.80779E-03 ppm1      8.277 ppm2      4.491 CV     1
 ASSI {  975}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.400     1.500     1.500 peak   975 spectrum    1 weight  0.10000E+01 volume  0.11548E-02 ppm1      8.275 ppm2      4.891 CV     1
 ASSI {  976}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      2.200     0.600     0.600 peak   976 spectrum    1 weight  0.10000E+01 volume  0.12688E-01 ppm1      8.275 ppm2      4.041 CV     1
 OR {  976}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  978}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   978 spectrum    1 weight  0.10000E+01 volume  0.52118E-03 ppm1      8.275 ppm2      3.763 CV     1
 ASSI {  980}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.700     1.700     1.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.14296E-02 ppm1      8.275 ppm2      3.105 CV     1
 ASSI {  981}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak   981 spectrum    1 weight  0.10000E+01 volume  0.99822E-03 ppm1      8.275 ppm2      2.797 CV     1
 ASSI {  985}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.700     2.700     1.300 peak   985 spectrum    1 weight  0.10000E+01 volume  0.44503E-03 ppm1      8.277 ppm2      1.915 CV     1
 ASSI {  989}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.700     2.700     1.300 peak   989 spectrum    1 weight  0.10000E+01 volume  0.46064E-03 ppm1      7.976 ppm2      0.962 CV     1
 ASSI {  991}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.300     1.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.63228E-03 ppm1      7.972 ppm2      3.447 CV     1
 ASSI {  992}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.600     1.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      7.973 ppm2      2.876 CV     1
 ASSI {  993}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.400     1.500     1.500 peak   993 spectrum    1 weight  0.10000E+01 volume  0.10027E-02 ppm1      7.973 ppm2      4.802 CV     1
 ASSI {  994}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      5.200     3.400     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.24399E-03 ppm1      7.974 ppm2      4.551 CV     1
 ASSI {  995}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.500     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.83778E-03 ppm1      7.974 ppm2      4.326 CV     1
 ASSI {  996}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.300     1.300 peak   996 spectrum    1 weight  0.10000E+01 volume  0.18050E-02 ppm1      7.972 ppm2      4.192 CV     1
 ASSI {  999}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak   999 spectrum    1 weight  0.10000E+01 volume  0.36531E-02 ppm1      7.972 ppm2      8.030 CV     1
 ASSI { 1000}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.45728E-03 ppm1      7.889 ppm2      2.203 CV     1
 ASSI { 1001}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      3.900     1.900     1.900 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.35396E-03 ppm1      7.887 ppm2      1.928 CV     1
 ASSI { 1002}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.500     2.500     1.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.35716E-03 ppm1      7.889 ppm2      1.810 CV     1
 ASSI { 1003}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.500     1.500     1.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.53218E-03 ppm1      7.889 ppm2      1.630 CV     1
 ASSI { 1004}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.200     2.200     1.800 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.24978E-03 ppm1      7.599 ppm2      2.207 CV     1
 ASSI { 1005}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG1 ))
      3.700     1.700     1.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.35769E-03 ppm1      7.600 ppm2      1.981 CV     1
 ASSI { 1006}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.100     2.200     1.900 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.29697E-03 ppm1      7.601 ppm2      1.711 CV     1
 ASSI { 1007}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.700     1.700     1.700 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.40859E-03 ppm1      7.505 ppm2      2.017 CV     1
 OR { 1007}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1008}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.700     2.700     1.300 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.20827E-03 ppm1      7.506 ppm2      1.917 CV     1
 ASSI { 1009}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.200     2.200     1.800 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.34283E-03 ppm1      7.436 ppm2      2.024 CV     1
 ASSI { 1011}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG1 ))
      3.800     1.800     1.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.45173E-03 ppm1      7.431 ppm2      1.726 CV     1
 OR { 1011}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 1015}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HD1 ))
      3.600     1.600     1.600 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.61320E-03 ppm1      7.598 ppm2      3.442 CV     1
 ASSI { 1016}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.47024E-03 ppm1      7.600 ppm2      3.289 CV     1
 ASSI { 1017}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.800     1.800     1.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.40095E-03 ppm1      7.507 ppm2      3.319 CV     1
 ASSI { 1018}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HD1 ))
      3.300     1.300     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.10856E-02 ppm1      7.429 ppm2      3.252 CV     1
 OR { 1018}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1023}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.500     1.500 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.63686E-03 ppm1      7.372 ppm2      2.048 CV     1
 OR { 1023}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1024}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.600     1.600     1.600 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.66973E-03 ppm1      7.375 ppm2      1.435 CV     1
 ASSI { 1025}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.700     1.700     1.700 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.78938E-03 ppm1      7.373 ppm2      1.293 CV     1
 ASSI { 1026}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.43217E-03 ppm1      7.372 ppm2      4.593 CV     1
 ASSI { 1027}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      4.000     2.000     2.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.44872E-03 ppm1      7.374 ppm2      4.336 CV     1
 ASSI { 1028}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD1 ))
      2.800     1.000     1.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.23755E-02 ppm1      7.372 ppm2      3.220 CV     1
 OR { 1028}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1029}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
      3.000     1.100     1.100 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.22619E-02 ppm1      9.053 ppm2      6.921 CV     1
 OR { 1029}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
 OR { 1029}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH11))
 OR { 1029}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH12))
 ASSI { 1034}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD1%)
      4.400     2.400     1.600 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.20446E-03 ppm1      9.053 ppm2      0.530 CV     1
 ASSI { 1035}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.100     2.100     1.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.51199E-03 ppm1      9.054 ppm2      1.082 CV     1
 ASSI { 1036}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG1 ))
      2.900     1.000     1.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.21009E-02 ppm1      9.053 ppm2      1.634 CV     1
 OR { 1036}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1037}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.600     1.700     1.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.85223E-03 ppm1      9.055 ppm2      1.549 CV     1
 ASSI { 1038}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.900     1.900     1.900 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.12074E-02 ppm1      9.053 ppm2      1.872 CV     1
 ASSI { 1041}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD1%)
      2.900     1.000     1.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.20340E-02 ppm1      7.661 ppm2      0.811 CV     1
 ASSI { 1042}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      2.800     1.000     1.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      7.661 ppm2      1.706 CV     1
 ASSI { 1043}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
      3.600     1.600     1.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.52426E-03 ppm1      7.660 ppm2      1.627 CV     1
 ASSI { 1044}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HG  ))
      4.800     2.900     1.200 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.42772E-03 ppm1      7.660 ppm2      1.527 CV     1
 ASSI { 1047}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HB2 ))
      3.500     1.500     1.500 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.22903E-02 ppm1      7.660 ppm2      2.800 CV     1
 ASSI { 1048}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      3.100     3.100     2.900 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.59520E-03 ppm1      7.660 ppm2      4.496 CV     1
 ASSI { 1049}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 79   and name HA  ))
      4.600     2.700     1.400 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.33441E-03 ppm1      7.659 ppm2      4.887 CV     1
 ASSI { 1050}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      5.000     3.200     1.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.43949E-03 ppm1      7.484 ppm2      4.354 CV     1
 ASSI { 1052}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.400     1.400 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.10299E-02 ppm1      7.487 ppm2      2.790 CV     1
 ASSI { 1053}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.400     1.500     1.500 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.14318E-02 ppm1      7.486 ppm2      1.711 CV     1
 ASSI { 1054}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
      3.400     1.400     1.400 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.72734E-03 ppm1      7.487 ppm2      1.633 CV     1
 ASSI { 1058}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
      3.800     1.800     1.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.66088E-03 ppm1      7.481 ppm2      0.973 CV     1
 ASSI { 1059}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD1%)
      3.700     1.700     1.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.61433E-03 ppm1      7.486 ppm2      0.899 CV     1
 ASSI { 1060}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.24373E-02 ppm1      7.485 ppm2      0.810 CV     1
 ASSI { 1062}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      2.900     1.100     1.100 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.20863E-02 ppm1      7.410 ppm2      1.008 CV     1
 ASSI { 1064}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.300     1.300 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.98726E-03 ppm1      7.406 ppm2      2.805 CV     1
 ASSI { 1067}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.700     1.700     1.700 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.25797E-02 ppm1      7.408 ppm2      2.406 CV     1
 ASSI { 1069}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.000     1.100     1.100 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      7.411 ppm2      4.861 CV     1
 ASSI { 1071}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.300     2.300     1.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.11054E-02 ppm1      7.406 ppm2      4.527 CV     1
 ASSI { 1074}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.300     0.600     0.600 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.68269E-02 ppm1      7.409 ppm2      9.175 CV     1
 ASSI { 1076}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.14812E-02 ppm1      8.258 ppm2      8.538 CV     1
 ASSI { 1077}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.28504E-02 ppm1      8.255 ppm2      7.912 CV     1
 ASSI { 1079}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.300     1.400     1.400 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.11484E-02 ppm1      8.254 ppm2      3.932 CV     1
 ASSI { 1082}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     3.000     3.000 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.77559E-03 ppm1      7.862 ppm2      1.058 CV     1
 ASSI { 1083}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.300     3.600     0.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.32965E-03 ppm1      7.862 ppm2      0.945 CV     1
 ASSI { 1084}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.900     1.900     1.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.48301E-03 ppm1      7.862 ppm2      1.876 CV     1
 ASSI { 1085}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.700     2.800     1.300 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.36377E-03 ppm1      7.860 ppm2      1.486 CV     1
 ASSI { 1087}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      5.200     3.300     0.800 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.27596E-03 ppm1      7.870 ppm2      2.890 CV     1
 OR { 1087}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1088}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.700     1.800     1.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.10046E-02 ppm1      7.861 ppm2      2.335 CV     1
 ASSI { 1089}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.400     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.61629E-02 ppm1      7.861 ppm2      3.818 CV     1
 ASSI { 1090}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.40199E-03 ppm1      7.860 ppm2      4.859 CV     1
 ASSI { 1094}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      3.000     1.200     1.200 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.38147E-02 ppm1      7.860 ppm2      4.246 CV     1
 ASSI { 1099}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      5.300     3.600     0.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.22327E-03 ppm1      7.857 ppm2      4.670 CV     1
 ASSI { 1105}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.900     0.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.34481E-02 ppm1      8.196 ppm2      8.295 CV     1
 ASSI { 1107}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.700     1.700     1.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.53794E-03 ppm1      8.197 ppm2      3.921 CV     1
 ASSI { 1108}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.900     3.000     1.100 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.31988E-03 ppm1      8.195 ppm2      1.076 CV     1
 OR { 1108}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 1111}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.900     1.900     1.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.50852E-03 ppm1      8.197 ppm2      1.712 CV     1
 OR { 1111}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {    2}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H2A ))
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.49679E-02 ppm1      1.505 ppm2      2.509 CV     1
 OR {    2}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H2B ))
 OR {    2}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H2A ))
 OR {    2}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H2B ))
 ASSI {    3}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H4A ))
      2.800     1.000     1.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.40713E-02 ppm1      2.508 ppm2      1.166 CV     1
 OR {    3}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H4A ))
 OR {    3}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H4B ))
 OR {    3}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H4B ))
 OR {    3}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H5B ))
 OR {    3}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H5B ))
 OR {    3}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H5A ))
 OR {    3}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H5A ))
 OR {    3}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H6A ))
 ASSI {    4}
   (( segid "    " and resid 42   and name H7A ))
   (  segid "    " and resid 42   and name H8% )
      2.100     0.600     0.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10555E-01 ppm1      1.237 ppm2      0.839 CV     1
 OR {    4}
   (( segid "    " and resid 42   and name H7B ))
   (  segid "    " and resid 42   and name H8% )
 ASSI {    5}
   (( segid "    " and resid 42   and name H6B ))
   (  segid "    " and resid 42   and name H8% )
      2.300     0.600     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.12679E-01 ppm1      1.165 ppm2      0.839 CV     1
 OR {    5}
   (( segid "    " and resid 42   and name H6A ))
   (  segid "    " and resid 42   and name H8% )
 OR {    5}
   (( segid "    " and resid 42   and name H5B ))
   (  segid "    " and resid 42   and name H8% )
 OR {    5}
   (( segid "    " and resid 42   and name H5A ))
   (  segid "    " and resid 42   and name H8% )
 OR {    5}
   (( segid "    " and resid 42   and name H4A ))
   (  segid "    " and resid 42   and name H8% )
 ASSI {    7}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H41A))
      2.300     0.700     0.700 peak     7 spectrum    1 weight  0.10000E+01 volume  0.98994E-02 ppm1      3.401 ppm2      8.269 CV     1
 OR {    7}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {    8}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H41A))
      3.000     1.100     1.100 peak     8 spectrum    1 weight  0.10000E+01 volume  0.24013E-02 ppm1      3.039 ppm2      8.268 CV     1
 OR {    8}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   10}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
      3.000     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.35603E-02 ppm1      2.576 ppm2      8.111 CV     1
 OR {   10}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   14}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.12116E-01 ppm1      3.508 ppm2      1.036 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.200     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.15463E-01 ppm1      3.508 ppm2      1.009 CV     1
 ASSI {   16}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      2.200     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.11219E-01 ppm1      3.848 ppm2      1.036 CV     1
 ASSI {   17}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      1.900     0.500     0.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.18263E-01 ppm1      3.852 ppm2      1.009 CV     1
 ASSI {   18}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.500     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.11638E-01 ppm1      4.130 ppm2      1.035 CV     1
 ASSI {   19}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.400     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.80604E-02 ppm1      4.130 ppm2      1.009 CV     1
 ASSI {   20}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H31%)
      3.100     1.200     1.200 peak    20 spectrum    1 weight  0.10000E+01 volume  0.22390E-02 ppm1      8.270 ppm2      1.035 CV     1
 ASSI {   21}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H31%)
      2.900     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.65600E-02 ppm1      8.115 ppm2      1.036 CV     1
 ASSI {   22}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H30%)
      3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.15113E-02 ppm1      8.264 ppm2      1.008 CV     1
 ASSI {   25}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H38B))
      2.500     0.800     0.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.65471E-02 ppm1      3.565 ppm2      2.576 CV     1
 OR {   25}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H38A))
 ASSI {   26}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H38A))
      2.600     0.800     0.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.43063E-02 ppm1      3.634 ppm2      2.569 CV     1
 OR {   26}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H38B))
 ASSI {   27}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H43A))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.62241E-02 ppm1      3.401 ppm2      3.038 CV     1
 OR {   27}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H43B))
 OR {   27}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H43A))
 OR {   27}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H43B))
 ASSI {   28}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H38A))
      4.100     2.100     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.90295E-03 ppm1      3.402 ppm2      2.574 CV     1
 OR {   28}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H38B))
 OR {   28}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H38A))
 OR {   28}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H38B))
 ASSI {   29}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H38A))
      4.100     2.100     1.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.66572E-03 ppm1      3.036 ppm2      2.573 CV     1
 OR {   29}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H38A))
 ASSI {   30}
   (( segid "    " and resid 42   and name H42B))
   (  segid "    " and resid 42   and name H31%)
      3.600     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.94323E-03 ppm1      3.399 ppm2      1.036 CV     1
 OR {   30}
   (( segid "    " and resid 42   and name H42A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   31}
   (( segid "    " and resid 42   and name H37A))
   (  segid "    " and resid 42   and name H31%)
      3.900     1.900     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.90280E-03 ppm1      3.623 ppm2      1.038 CV     1
 ASSI {   32}
   (( segid "    " and resid 42   and name H43B))
   (  segid "    " and resid 42   and name H31%)
      3.200     1.300     1.300 peak    32 spectrum    1 weight  0.10000E+01 volume  0.18086E-02 ppm1      3.039 ppm2      1.036 CV     1
 OR {   32}
   (( segid "    " and resid 42   and name H43A))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   33}
   (( segid "    " and resid 42   and name H43B))
   (  segid "    " and resid 42   and name H30%)
      3.600     1.600     1.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.10604E-02 ppm1      3.047 ppm2      1.010 CV     1
 OR {   33}
   (( segid "    " and resid 42   and name H43A))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   34}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.600     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.14964E-02 ppm1      2.577 ppm2      1.006 CV     1
 OR {   34}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   35}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H31%)
      3.200     1.300     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.19308E-02 ppm1      2.573 ppm2      1.035 CV     1
 OR {   35}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   36}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      2.500     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.37024E-02 ppm1      3.506 ppm2      4.129 CV     1
 ASSI {   37}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H32A))
      4.300     2.300     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.74766E-03 ppm1      3.626 ppm2      4.130 CV     1
 ASSI {   38}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H32A))
      2.900     2.900     3.100 peak    38 spectrum    1 weight  0.10000E+01 volume  0.78691E-03 ppm1      2.577 ppm2      4.129 CV     1
 OR {   38}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H32A))
 ASSI {   40}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H4B ))
      2.500     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.61371E-02 ppm1      1.508 ppm2      1.157 CV     1
 OR {   40}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   40}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   40}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   40}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   40}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   40}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   40}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H6A ))
 OR {   40}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H5A ))
 ASSI {    1}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H36A))
      2.600     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.77899E-02 ppm1      3.622 ppm2      8.112 CV     1
 ASSI {    2}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H36A))
      2.100     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.67019E-02 ppm1      3.574 ppm2      8.112 CV     1
 ASSI {    8}
   (  segid "    " and resid 42   and name H8% )
   (( segid "    " and resid 42   and name H6B ))
      2.600     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.81582E-02 ppm1      0.841 ppm2      1.163 CV     1
 OR {    8}
   (  segid "    " and resid 42   and name H8% )
   (( segid "    " and resid 42   and name H6A ))
 OR {    8}
   (  segid "    " and resid 42   and name H8% )
   (( segid "    " and resid 42   and name H5B ))
 OR {    8}
   (  segid "    " and resid 42   and name H8% )
   (( segid "    " and resid 42   and name H5A ))
 OR {    8}
   (  segid "    " and resid 42   and name H8% )
   (( segid "    " and resid 42   and name H4A ))
 OR {    8}
   (  segid "    " and resid 42   and name H8% )
   (( segid "    " and resid 42   and name H4B ))
 ASSI {   13}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H3A ))
      5.100     3.300     0.900 peak    13 spectrum    1 weight  0.10000E+01 volume  0.73326E-03 ppm1      0.382 ppm2      1.500 CV     1
 OR {   13}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H3B ))
 ASSI {   15}
   (( segid "    " and resid 42   and name H6A ))
   (( segid "    " and resid 42   and name H7B ))
      2.000     0.500     0.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.26699E-01 ppm1      1.169 ppm2      1.230 CV     1
 OR {   15}
   (( segid "    " and resid 42   and name H6B ))
   (( segid "    " and resid 42   and name H7A ))
 OR {   15}
   (( segid "    " and resid 42   and name H6B ))
   (( segid "    " and resid 42   and name H7B ))
 OR {   15}
   (( segid "    " and resid 42   and name H6A ))
   (( segid "    " and resid 42   and name H7A ))
 OR {   15}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H7A ))
 OR {   15}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H7A ))
 OR {   15}
   (( segid "    " and resid 42   and name H5A ))
   (( segid "    " and resid 42   and name H7B ))
 OR {   15}
   (( segid "    " and resid 42   and name H5B ))
   (( segid "    " and resid 42   and name H7B ))
 OR {   15}
   (( segid "    " and resid 42   and name H4A ))
   (( segid "    " and resid 42   and name H7A ))
 OR {   15}
   (( segid "    " and resid 42   and name H4B ))
   (( segid "    " and resid 42   and name H7A ))
 OR {   15}
   (( segid "    " and resid 42   and name H4A ))
   (( segid "    " and resid 42   and name H7B ))
 ASSI {   17}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H41A))
      5.100     3.200     0.900 peak    17 spectrum    1 weight  0.10000E+01 volume  0.15607E-02 ppm1      3.624 ppm2      8.269 CV     1
 ASSI {   20}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
      2.000     0.500     0.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.19302E-01 ppm1      2.574 ppm2      8.269 CV     1
 OR {   20}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   21}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      2.000     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.13048E-01 ppm1      4.129 ppm2      8.112 CV     1
 ASSI {   24}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      2.100     0.500     0.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.68871E-02 ppm1      8.112 ppm2      1.008 CV     1
 ASSI {   30}
   (( segid "    " and resid 42   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
      4.100     2.100     1.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.29883E-02 ppm1      4.201 ppm2      1.035 CV     1
 OR {   30}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   32}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.000     1.100     1.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.29384E-02 ppm1      4.331 ppm2      1.034 CV     1
 ASSI {   35}
   (( segid "    " and resid 42   and name H42B))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.500     1.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.16184E-02 ppm1      3.398 ppm2      1.007 CV     1
 OR {   35}
   (( segid "    " and resid 42   and name H42A))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   40}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.500     1.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.20009E-02 ppm1      2.841 ppm2      1.008 CV     1
 ASSI {   41}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      2.700     0.900     0.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.17582E-02 ppm1      2.724 ppm2      1.009 CV     1
 ASSI {   45}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      2.500     2.500     3.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.19928E-02 ppm1      2.842 ppm2      1.034 CV     1
 ASSI {   46}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
      2.700     2.700     3.300 peak    46 spectrum    1 weight  0.10000E+01 volume  0.15363E-02 ppm1      2.728 ppm2      1.034 CV     1
 ASSI {   47}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      3.100     1.200     1.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.25317E-02 ppm1      2.327 ppm2      1.008 CV     1
 OR {   47}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   49}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.600     1.600 peak    49 spectrum    1 weight  0.10000E+01 volume  0.23572E-02 ppm1      1.793 ppm2      1.009 CV     1
 OR {   49}
   (( segid "    " and resid 43   and name HG  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   50}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      2.700     2.700     3.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      1.789 ppm2      1.036 CV     1
 OR {   50}
   (( segid "    " and resid 43   and name HG  ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   51}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      2.500     2.500     3.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.24453E-02 ppm1      2.334 ppm2      1.034 CV     1
 OR {   51}
   (( segid "    " and resid 46   and name HB1 ))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   53}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H4A ))
      2.900     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.56726E-02 ppm1      2.506 ppm2      1.164 CV     1
 OR {   53}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   53}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   53}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   53}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   53}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   53}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   53}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   53}
   (( segid "    " and resid 42   and name H2A ))
   (( segid "    " and resid 42   and name H6A ))
 OR {   53}
   (( segid "    " and resid 42   and name H2B ))
   (( segid "    " and resid 42   and name H6A ))
 ASSI {   54}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H4B ))
      5.100     3.200     0.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.71855E-03 ppm1      3.401 ppm2      1.159 CV     1
 OR {   54}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H4A ))
 OR {   54}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H4B ))
 OR {   54}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H5B ))
 OR {   54}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H4A ))
 OR {   54}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H5A ))
 OR {   54}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H5B ))
 OR {   54}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H5A ))
 OR {   54}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H6A ))
 OR {   54}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H6A ))
 ASSI {   55}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
      3.600     1.600     1.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.13052E-02 ppm1      4.273 ppm2      1.164 CV     1
 OR {   55}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   55}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   55}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   55}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H6A ))
 OR {   55}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 42   and name H6B ))
 ASSI {   57}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 42   and name H6B ))
      4.000     2.000     2.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.13361E-02 ppm1      7.013 ppm2      1.164 CV     1
 OR {   57}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 42   and name H5A ))
 OR {   57}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 42   and name H6A ))
 OR {   57}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 42   and name H5B ))
 OR {   57}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 42   and name H4B ))
 OR {   57}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 42   and name H4A ))
 ASSI {   58}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name H5B ))
      4.000     2.000     2.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.15487E-02 ppm1      8.470 ppm2      1.163 CV     1
 OR {   58}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   58}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name H6B ))
 OR {   58}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name H6A ))
 ASSI {   62}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H4B ))
      4.400     2.400     1.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.11027E-02 ppm1      2.326 ppm2      1.165 CV     1
 OR {   62}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   62}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   62}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   62}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   62}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   62}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   62}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   62}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H6A ))
 OR {   62}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name H6B ))
 OR {   62}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H6A ))
 OR {   62}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name H6B ))
 ASSI {   64}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H4B ))
      2.300     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13047E-01 ppm1      1.501 ppm2      1.163 CV     1
 OR {   64}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   64}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   64}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   64}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   64}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   64}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   64}
   (( segid "    " and resid 42   and name H3B ))
   (( segid "    " and resid 42   and name H6A ))
 OR {   64}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   64}
   (( segid "    " and resid 42   and name H3A ))
   (( segid "    " and resid 42   and name H6A ))
 ASSI {   65}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H6A ))
      3.400     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.28563E-02 ppm1      1.584 ppm2      1.165 CV     1
 OR {   65}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5B ))
 OR {   65}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5A ))
 OR {   65}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H6B ))
 OR {   65}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H4A ))
 OR {   65}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H4B ))
 ASSI {   67}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H7A ))
      4.700     2.800     1.300 peak    67 spectrum    1 weight  0.10000E+01 volume  0.59478E-03 ppm1      0.393 ppm2      1.224 CV     1
 OR {   67}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name H7B ))
 ASSI {   68}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name H5A ))
      3.900     1.900     1.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.12701E-02 ppm1      1.798 ppm2      1.167 CV     1
 OR {   68}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   68}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   68}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name H6B ))
 OR {   68}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   68}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name H6A ))
 ASSI {   69}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 42   and name H8% )
      4.300     2.300     1.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.15874E-02 ppm1      2.253 ppm2      0.838 CV     1
 ASSI {   13}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.66664E-02 ppm1      1.654 ppm2      4.251 CV     1
 OR {   13}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HA  ))
 ASSI {   14}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.51143E-02 ppm1      1.615 ppm2      8.264 CV     1
 OR {   14}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
 OR {   14}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HN  ))
 ASSI {   15}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.200     0.600     0.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.11934E-01 ppm1      1.629 ppm2      7.699 CV     1
 OR {   15}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
 ASSI {   20}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.100     0.600     0.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.13099E-01 ppm1      1.612 ppm2      4.344 CV     1
 OR {   20}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
 ASSI {   22}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.17236E-02 ppm1      1.755 ppm2      4.342 CV     1
 OR {   22}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {   24}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.71680E-02 ppm1      2.268 ppm2      3.928 CV     1
 OR {   24}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {   26}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.55055E-02 ppm1      2.260 ppm2      8.432 CV     1
 OR {   26}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI {   27}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.32178E-02 ppm1      2.265 ppm2      8.273 CV     1
 OR {   27}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI {   28}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.33599E-02 ppm1      2.260 ppm2      4.037 CV     1
 OR {   28}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {   36}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.76649E-02 ppm1      3.001 ppm2      7.689 CV     1
 OR {   36}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
 OR {   36}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 OR {   36}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 OR {   36}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
 OR {   36}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
 OR {   36}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {   47}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 78   and name HN  ))
      3.900     1.900     1.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.56618E-03 ppm1      1.804 ppm2      8.468 CV     1
 OR {   47}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 47   and name HN  ))
 ASSI {   56}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.64874E-02 ppm1      4.341 ppm2      2.339 CV     1
 OR {   56}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
 OR {   56}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {   57}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.40548E-02 ppm1      4.341 ppm2      2.216 CV     1
 OR {   57}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 OR {   57}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {   58}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
      2.500     0.800     0.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.44904E-02 ppm1      4.350 ppm2      0.989 CV     1
 OR {   58}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {   58}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {   59}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      3.200     1.300     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.61438E-02 ppm1      4.353 ppm2      0.901 CV     1
 OR {   59}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {   65}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.200     0.600     0.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.96967E-02 ppm1      4.246 ppm2      2.200 CV     1
 OR {   65}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {   67}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     1.300     1.300 peak    67 spectrum    1 weight  0.10000E+01 volume  0.18287E-02 ppm1      4.246 ppm2      8.287 CV     1
 OR {   67}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
 OR {   67}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {   69}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.22134E-02 ppm1      4.249 ppm2      8.003 CV     1
 OR {   69}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {   70}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.900     1.900     1.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.13476E-02 ppm1      3.948 ppm2      2.195 CV     1
 OR {   70}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {   97}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.300     1.400     1.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.11934E-02 ppm1      4.235 ppm2      7.919 CV     1
 OR {   97}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI {  136}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.15065E-02 ppm1      7.227 ppm2      1.084 CV     1
 OR {  136}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
      3.200     1.300     1.300 peak   137 spectrum    1 weight  0.10000E+01 volume  0.22303E-02 ppm1      7.020 ppm2      1.080 CV     1
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG2%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG1%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 68   and name HG1%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
 OR {  137}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  139}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.11439E-02 ppm1      6.915 ppm2      4.244 CV     1
 OR {  139}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  143}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.17792E-02 ppm1      6.759 ppm2      4.350 CV     1
 OR {  143}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 OR {  143}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
 OR {  143}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  146}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.800     0.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.41830E-02 ppm1      0.522 ppm2      1.647 CV     1
 OR {  146}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  158}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.000     0.500     0.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.10275E-01 ppm1      0.879 ppm2      1.160 CV     1
 OR {  158}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 42   and name H6A ))
 ASSI {  160}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
      2.100     0.500     0.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.98479E-02 ppm1      0.880 ppm2      1.592 CV     1
 OR {  160}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  161}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 65   and name HB% )
      3.100     1.200     1.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.69483E-03 ppm1      0.878 ppm2      1.456 CV     1
 OR {  161}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  163}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      4.100     2.100     1.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.56392E-03 ppm1      0.876 ppm2      2.078 CV     1
 OR {  163}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
 ASSI {  164}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB  ))
      2.600     0.900     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.41945E-02 ppm1      0.879 ppm2      1.927 CV     1
 OR {  164}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  172}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      3.400     1.400     1.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.37739E-03 ppm1      0.881 ppm2      4.325 CV     1
 OR {  172}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 OR {  172}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 54   and name HA  ))
 OR {  172}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  173}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.900     1.900     1.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.46455E-03 ppm1      0.883 ppm2      4.277 CV     1
 OR {  173}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  173}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 OR {  173}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  174}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.400     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.39338E-03 ppm1      0.876 ppm2      4.216 CV     1
 OR {  174}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 OR {  174}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  175}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD1 ))
      3.500     3.500     2.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.43553E-03 ppm1      0.882 ppm2      4.030 CV     1
 OR {  175}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 66   and name HA2 ))
 OR {  175}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 80   and name HA1 ))
 OR {  175}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 80   and name HA2 ))
 ASSI {  186}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 60   and name HG2%)
      2.100     2.100     3.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.66315E-02 ppm1      0.803 ppm2      1.004 CV     1
 OR {  186}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
 OR {  186}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
 OR {  186}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  190}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.700     2.700     3.300 peak   190 spectrum    1 weight  0.10000E+01 volume  0.12445E-02 ppm1      0.803 ppm2      1.629 CV     1
 OR {  190}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 OR {  190}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 81   and name HB% )
 OR {  190}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
 OR {  190}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 50   and name HB% )
 ASSI {  192}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.100     0.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.80326E-02 ppm1      0.938 ppm2      1.468 CV     1
 OR {  192}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
 ASSI {  200}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG1 ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.23559E-02 ppm1      0.938 ppm2      2.217 CV     1
 OR {  200}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  202}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.400     1.500     1.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.77775E-03 ppm1      0.941 ppm2      3.361 CV     1
 OR {  202}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  203}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.15420E-02 ppm1      0.939 ppm2      3.077 CV     1
 OR {  203}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HD2 ))
 ASSI {  205}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.17852E-02 ppm1      0.803 ppm2      3.912 CV     1
 OR {  205}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  207}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.40653E-02 ppm1      0.939 ppm2      4.375 CV     1
 OR {  207}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  208}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      4.600     2.700     1.400 peak   208 spectrum    1 weight  0.10000E+01 volume  0.43993E-03 ppm1      0.943 ppm2      4.231 CV     1
 OR {  208}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HA1 ))
 ASSI {  210}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.500     1.500 peak   210 spectrum    1 weight  0.10000E+01 volume  0.32703E-03 ppm1      0.806 ppm2      4.499 CV     1
 OR {  210}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  211}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   211 spectrum    1 weight  0.10000E+01 volume  0.73984E-03 ppm1      0.804 ppm2      4.233 CV     1
 OR {  211}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  212}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      4.200     2.200     1.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.70239E-03 ppm1      0.940 ppm2      4.684 CV     1
 OR {  212}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
 OR {  212}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  213}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.400     1.400     1.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.21620E-02 ppm1      0.938 ppm2      7.007 CV     1
 OR {  213}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  218}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      5.000     3.100     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.51206E-03 ppm1      0.941 ppm2      7.875 CV     1
 OR {  218}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  219}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.500     1.500 peak   219 spectrum    1 weight  0.10000E+01 volume  0.12471E-02 ppm1      0.937 ppm2      7.695 CV     1
 OR {  219}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  226}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.300     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.33011E-02 ppm1      0.979 ppm2      1.588 CV     1
 OR {  226}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  228}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 81   and name HB% )
      3.400     1.400     1.400 peak   228 spectrum    1 weight  0.10000E+01 volume  0.15234E-02 ppm1      0.908 ppm2      1.627 CV     1
 OR {  228}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {  229}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
      3.200     1.300     1.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.17459E-02 ppm1      0.907 ppm2      1.566 CV     1
 OR {  229}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HB2 ))
 OR {  229}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  236}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      3.400     1.500     1.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.16217E-02 ppm1      0.979 ppm2      2.273 CV     1
 OR {  236}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  241}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      5.000     3.100     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.41776E-03 ppm1      0.979 ppm2      3.930 CV     1
 OR {  241}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  252}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD2%)
      3.600     1.700     1.700 peak   252 spectrum    1 weight  0.10000E+01 volume  0.18145E-02 ppm1      1.580 ppm2      1.063 CV     1
 OR {  252}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 74   and name HD1%)
 OR {  252}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  253}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      3.300     1.300     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.32527E-02 ppm1      1.579 ppm2      0.987 CV     1
 OR {  253}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  254}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      2.600     0.900     0.900 peak   254 spectrum    1 weight  0.10000E+01 volume  0.40570E-02 ppm1      1.580 ppm2      0.866 CV     1
 OR {  254}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 42   and name H8% )
 ASSI {  257}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H6A ))
      3.100     1.200     1.200 peak   257 spectrum    1 weight  0.10000E+01 volume  0.30634E-02 ppm1      1.578 ppm2      1.166 CV     1
 OR {  257}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5B ))
 OR {  257}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H5A ))
 OR {  257}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H6B ))
 OR {  257}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 42   and name H4A ))
 OR {  257}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 60   and name HG12))
 ASSI {  261}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      4.100     2.100     1.900 peak   261 spectrum    1 weight  0.10000E+01 volume  0.65209E-03 ppm1      1.579 ppm2      2.214 CV     1
 OR {  261}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  263}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      3.600     1.600     1.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.88505E-03 ppm1      1.579 ppm2      2.347 CV     1
 OR {  263}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
 OR {  263}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 OR {  263}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  269}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.59154E-02 ppm1      1.058 ppm2      4.389 CV     1
 OR {  269}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  273}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.31552E-02 ppm1      1.624 ppm2      1.097 CV     1
 OR {  273}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD2%)
 OR {  273}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  276}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.700     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.30020E-02 ppm1      1.460 ppm2      1.001 CV     1
 OR {  276}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
 ASSI {  290}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.34985E-02 ppm1      1.603 ppm2      2.895 CV     1
 OR {  290}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
 ASSI {  293}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.12633E-02 ppm1      1.621 ppm2      2.220 CV     1
 OR {  293}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 47   and name HB2 ))
 OR {  293}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HB1 ))
 OR {  293}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  295}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      1.624 ppm2      1.997 CV     1
 OR {  295}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HG1 ))
 OR {  295}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  303}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA1 ))
      3.700     1.700     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.15610E-02 ppm1      1.620 ppm2      4.030 CV     1
 OR {  303}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HA  ))
 OR {  303}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
 OR {  303}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  304}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak   304 spectrum    1 weight  0.10000E+01 volume  0.65522E-03 ppm1      1.633 ppm2      3.927 CV     1
 OR {  304}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
 OR {  304}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  313}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.700     1.700     1.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.74817E-03 ppm1      1.606 ppm2      6.763 CV     1
 OR {  313}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 40   and name HE% )
 ASSI {  326}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      4.100     2.100     1.900 peak   326 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      1.057 ppm2      7.873 CV     1
 OR {  326}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  327}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   327 spectrum    1 weight  0.10000E+01 volume  0.24296E-02 ppm1      1.058 ppm2      7.691 CV     1
 OR {  327}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  336}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      4.300     2.300     1.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.88351E-03 ppm1      1.656 ppm2      8.534 CV     1
 OR {  336}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  356}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.600     1.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.93803E-03 ppm1      1.079 ppm2      0.578 CV     1
 OR {  356}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
 OR {  356}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  359}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD2%)
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.42284E-02 ppm1      1.644 ppm2      0.982 CV     1
 OR {  359}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD2%)
 OR {  359}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  360}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD1%)
      4.000     2.000     2.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.72667E-03 ppm1      1.646 ppm2      0.897 CV     1
 OR {  360}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  362}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      3.000     1.100     1.100 peak   362 spectrum    1 weight  0.10000E+01 volume  0.38595E-02 ppm1      0.912 ppm2      1.623 CV     1
 OR {  362}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HG11))
 OR {  362}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  375}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      4.200     2.200     1.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.90450E-03 ppm1      0.912 ppm2      3.766 CV     1
 OR {  375}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  378}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.500     1.500     1.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.23356E-02 ppm1      1.083 ppm2      4.247 CV     1
 OR {  378}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
 OR {  378}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  378}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  417}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.15877E-02 ppm1      1.084 ppm2      7.917 CV     1
 OR {  417}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  419}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      4.100     2.100     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.61829E-03 ppm1      0.913 ppm2      7.983 CV     1
 OR {  419}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  422}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.600     1.500 peak   422 spectrum    1 weight  0.10000E+01 volume  0.34920E-03 ppm1      1.503 ppm2      8.452 CV     1
 OR {  422}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 47   and name HN  ))
 ASSI {  426}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.200     1.200 peak   426 spectrum    1 weight  0.10000E+01 volume  0.21736E-02 ppm1      1.083 ppm2      7.018 CV     1
 OR {  426}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  427}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 35   and name HZ  ))
      3.800     1.800     1.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.72112E-03 ppm1      1.081 ppm2      6.910 CV     1
 OR {  427}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  435}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
      3.200     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.98705E-03 ppm1      1.080 ppm2      2.005 CV     1
 OR {  435}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
 OR {  435}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  436}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HG2 ))
      3.500     1.500     1.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15482E-02 ppm1      1.082 ppm2      1.694 CV     1
 OR {  436}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  437}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HA  ))
      5.000     3.200     1.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.35787E-03 ppm1      0.910 ppm2      4.782 CV     1
 OR {  437}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  439}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.800     1.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.10925E-02 ppm1      1.222 ppm2      8.489 CV     1
 OR {  439}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 OR {  439}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  440}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.600     1.600     1.600 peak   440 spectrum    1 weight  0.10000E+01 volume  0.17238E-02 ppm1      1.093 ppm2      8.285 CV     1
 OR {  440}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  441}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17845E-02 ppm1      1.092 ppm2      8.541 CV     1
 OR {  441}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  442}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.16462E-02 ppm1      1.034 ppm2      8.264 CV     1
 OR {  442}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
 OR {  442}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  444}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.34793E-02 ppm1      1.033 ppm2      8.433 CV     1
 OR {  444}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 63   and name HN  ))
 ASSI {  458}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.37435E-02 ppm1      1.091 ppm2      3.946 CV     1
 OR {  458}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  460}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.46072E-02 ppm1      1.092 ppm2      4.339 CV     1
 OR {  460}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  472}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.200     1.300     1.300 peak   472 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      0.970 ppm2      1.591 CV     1
 OR {  472}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  476}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
      2.500     0.800     0.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.52220E-02 ppm1      1.090 ppm2      0.831 CV     1
 OR {  476}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
 OR {  476}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 42   and name H8% )
 ASSI {  484}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      4.000     2.000     2.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.76273E-03 ppm1      1.220 ppm2      8.455 CV     1
 OR {  484}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  485}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      3.500     3.500     2.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.53517E-03 ppm1      1.224 ppm2      8.283 CV     1
 OR {  485}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
 OR {  485}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 41   and name HN  ))
 OR {  485}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
 OR {  485}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  488}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.400     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.89534E-03 ppm1      1.014 ppm2      8.192 CV     1
 OR {  488}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  494}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.200     0.600     0.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.13026E-01 ppm1      1.221 ppm2      4.341 CV     1
 OR {  494}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  497}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      4.200     2.200     1.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.87368E-03 ppm1      0.965 ppm2      3.769 CV     1
 OR {  497}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  501}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
      3.300     1.400     1.400 peak   501 spectrum    1 weight  0.10000E+01 volume  0.21245E-02 ppm1      1.031 ppm2      4.047 CV     1
 OR {  501}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  505}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.500     0.800     0.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.61382E-02 ppm1      1.363 ppm2      0.815 CV     1
 OR {  505}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  509}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG2%)
      2.900     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.30172E-02 ppm1      0.394 ppm2      1.066 CV     1
 OR {  509}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 OR {  509}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 68   and name HG1%)
 OR {  509}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  515}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.35558E-02 ppm1      1.119 ppm2      1.467 CV     1
 OR {  515}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  518}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB1 ))
      3.000     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.25562E-02 ppm1      1.068 ppm2      1.996 CV     1
 OR {  518}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  518}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  518}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
 OR {  518}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  520}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.800     0.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.40150E-02 ppm1      1.074 ppm2      2.438 CV     1
 OR {  520}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HB1 ))
 OR {  520}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  521}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.200     0.600     0.600 peak   521 spectrum    1 weight  0.10000E+01 volume  0.90367E-02 ppm1      1.082 ppm2      2.320 CV     1
 OR {  521}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 68   and name HB  ))
 OR {  521}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  524}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak   524 spectrum    1 weight  0.10000E+01 volume  0.87230E-03 ppm1      0.395 ppm2      4.369 CV     1
 OR {  524}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  524}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  525}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      4.200     2.200     1.800 peak   525 spectrum    1 weight  0.10000E+01 volume  0.77060E-03 ppm1      0.395 ppm2      4.213 CV     1
 OR {  525}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  536}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HB2 ))
      4.700     2.800     1.300 peak   536 spectrum    1 weight  0.10000E+01 volume  0.42867E-03 ppm1      0.396 ppm2      2.328 CV     1
 OR {  536}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
 OR {  536}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HB1 ))
 OR {  536}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  539}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HB1 ))
      4.000     2.000     2.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.10056E-02 ppm1      1.121 ppm2      2.035 CV     1
 OR {  539}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB1 ))
 OR {  539}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  552}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.500     1.500     1.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.18031E-02 ppm1      1.083 ppm2      7.018 CV     1
 OR {  552}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
 OR {  552}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  556}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.200     1.200 peak   556 spectrum    1 weight  0.10000E+01 volume  0.16004E-02 ppm1      0.395 ppm2      7.014 CV     1
 OR {  556}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  562}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.700     1.700     1.700 peak   562 spectrum    1 weight  0.10000E+01 volume  0.52992E-03 ppm1      1.080 ppm2      7.258 CV     1
 OR {  562}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
 ASSI {  566}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      4.200     2.200     1.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.83716E-03 ppm1      0.394 ppm2      8.269 CV     1
 OR {  566}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  573}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.700     1.700     1.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.19818E-02 ppm1      1.119 ppm2      8.262 CV     1
 OR {  573}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  574}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.500     1.500 peak   574 spectrum    1 weight  0.10000E+01 volume  0.35977E-03 ppm1      1.119 ppm2      8.079 CV     1
 OR {  574}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  582}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.100     2.100     1.900 peak   582 spectrum    1 weight  0.10000E+01 volume  0.73249E-03 ppm1      1.038 ppm2      8.762 CV     1
 OR {  582}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  586}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.14459E-02 ppm1      0.723 ppm2      8.288 CV     1
 OR {  586}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  603}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.600     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.24617E-02 ppm1      0.725 ppm2      7.011 CV     1
 OR {  603}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  608}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.43259E-03 ppm1      1.034 ppm2      7.226 CV     1
 OR {  608}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
 ASSI {  612}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.77492E-02 ppm1      0.668 ppm2      4.388 CV     1
 OR {  612}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  615}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.74648E-03 ppm1      0.725 ppm2      3.972 CV     1
 OR {  615}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  622}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      1.900     0.500     0.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.14419E-01 ppm1      0.980 ppm2      4.283 CV     1
 OR {  622}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  627}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.200     1.300     1.300 peak   627 spectrum    1 weight  0.10000E+01 volume  0.12127E-02 ppm1      0.984 ppm2      3.440 CV     1
 OR {  627}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
 ASSI {  637}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.900     1.100     1.100 peak   637 spectrum    1 weight  0.10000E+01 volume  0.14880E-02 ppm1      0.973 ppm2      2.226 CV     1
 OR {  637}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  643}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
      4.000     2.000     2.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.12565E-02 ppm1      0.724 ppm2      1.625 CV     1
 OR {  643}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  646}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      4.300     2.300     1.700 peak   646 spectrum    1 weight  0.10000E+01 volume  0.12364E-02 ppm1      0.521 ppm2      1.880 CV     1
 OR {  646}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  648}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.300     0.700     0.700 peak   648 spectrum    1 weight  0.10000E+01 volume  0.70327E-02 ppm1      1.038 ppm2      1.649 CV     1
 OR {  648}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 OR {  648}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  652}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.600     0.800     0.800 peak   652 spectrum    1 weight  0.10000E+01 volume  0.49116E-02 ppm1      0.896 ppm2      1.597 CV     1
 OR {  652}
   (  segid "    " and resid 4    and name HD1%)
   (  segid "    " and resid 83   and name HB% )
 ASSI {  654}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak   654 spectrum    1 weight  0.10000E+01 volume  0.26667E-02 ppm1      0.973 ppm2      1.429 CV     1
 OR {  654}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HB2 ))
 OR {  654}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  658}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.400     1.400 peak   658 spectrum    1 weight  0.10000E+01 volume  0.34887E-02 ppm1      0.668 ppm2      1.480 CV     1
 OR {  658}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  662}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 15   and name HG1%)
      2.700     2.700     3.300 peak   662 spectrum    1 weight  0.10000E+01 volume  0.22593E-02 ppm1      0.667 ppm2      1.031 CV     1
 OR {  662}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
 OR {  662}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  664}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 42   and name H7B ))
      4.100     2.100     1.900 peak   664 spectrum    1 weight  0.10000E+01 volume  0.66027E-03 ppm1      0.725 ppm2      1.225 CV     1
 OR {  664}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 42   and name H7A ))
 OR {  664}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
 ASSI {  678}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.200     0.600     0.600 peak   678 spectrum    1 weight  0.10000E+01 volume  0.91885E-02 ppm1      1.039 ppm2      0.836 CV     1
 OR {  678}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 OR {  678}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  679}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
      2.800     1.000     1.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.33014E-02 ppm1      0.806 ppm2      1.073 CV     1
 OR {  679}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  679}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  685}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.900     1.000     1.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.43071E-02 ppm1      0.551 ppm2      0.911 CV     1
 OR {  685}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 60   and name HD1%)
 OR {  685}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  686}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.56917E-02 ppm1      0.549 ppm2      0.815 CV     1
 OR {  686}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  686}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  687}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD2%)
      2.900     1.000     1.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.29919E-02 ppm1      0.573 ppm2      1.065 CV     1
 OR {  687}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 68   and name HG2%)
 OR {  687}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 68   and name HG1%)
 ASSI {  690}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.500     1.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.19543E-02 ppm1      0.562 ppm2      1.641 CV     1
 OR {  690}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 OR {  690}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  697}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      2.200     0.600     0.600 peak   697 spectrum    1 weight  0.10000E+01 volume  0.81726E-02 ppm1      0.806 ppm2      1.652 CV     1
 OR {  697}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  697}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  697}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  698}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
      2.900     1.000     1.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.34729E-02 ppm1      0.805 ppm2      1.542 CV     1
 OR {  698}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HG2 ))
 OR {  698}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  699}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HG2 ))
      3.300     1.300     1.300 peak   699 spectrum    1 weight  0.10000E+01 volume  0.32564E-02 ppm1      0.804 ppm2      1.472 CV     1
 OR {  699}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
 ASSI {  701}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.47290E-02 ppm1      0.964 ppm2      1.626 CV     1
 OR {  701}
   (  segid "    " and resid 4    and name HD2%)
   (  segid "    " and resid 2    and name HB% )
 ASSI {  706}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HG1 ))
      4.000     2.000     2.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.98325E-03 ppm1      0.804 ppm2      2.204 CV     1
 OR {  706}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  707}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      2.700     0.900     0.900 peak   707 spectrum    1 weight  0.10000E+01 volume  0.19602E-02 ppm1      0.804 ppm2      2.043 CV     1
 OR {  707}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  710}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.300     1.400     1.400 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13240E-02 ppm1      0.551 ppm2      1.903 CV     1
 OR {  710}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  711}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      4.400     2.500     1.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.62966E-03 ppm1      0.599 ppm2      1.889 CV     1
 OR {  711}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  712}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB1 ))
      3.600     1.600     1.600 peak   712 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      0.807 ppm2      1.896 CV     1
 OR {  712}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
 OR {  712}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  728}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      4.000     2.000     2.000 peak   728 spectrum    1 weight  0.10000E+01 volume  0.82801E-03 ppm1      0.589 ppm2      4.349 CV     1
 OR {  728}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
 OR {  728}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
 OR {  728}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HB2 ))
 OR {  728}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  728}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  732}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.700     1.700     1.700 peak   732 spectrum    1 weight  0.10000E+01 volume  0.78089E-03 ppm1      0.577 ppm2      7.011 CV     1
 OR {  732}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  746}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.87019E-03 ppm1      0.803 ppm2      8.776 CV     1
 OR {  746}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  756}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak   756 spectrum    1 weight  0.10000E+01 volume  0.68028E-03 ppm1      0.838 ppm2      8.431 CV     1
 OR {  756}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  757}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.72940E-03 ppm1      0.842 ppm2      8.776 CV     1
 OR {  757}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
 OR {  757}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  764}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      3.300     1.400     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.23016E-02 ppm1      0.850 ppm2      7.234 CV     1
 OR {  764}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
 OR {  764}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  768}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      5.000     3.100     1.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.22798E-03 ppm1      0.855 ppm2      6.919 CV     1
 OR {  768}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  769}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
      4.400     2.400     1.600 peak   769 spectrum    1 weight  0.10000E+01 volume  0.85136E-03 ppm1      0.813 ppm2      6.922 CV     1
 OR {  769}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 OR {  769}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 OR {  769}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
 OR {  769}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 ASSI {  770}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.800     1.800     1.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.10210E-02 ppm1      0.849 ppm2      7.015 CV     1
 OR {  770}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  776}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      4.100     2.100     1.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.15463E-02 ppm1      0.805 ppm2      4.381 CV     1
 OR {  776}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  777}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      4.100     2.100     1.900 peak   777 spectrum    1 weight  0.10000E+01 volume  0.74457E-03 ppm1      0.847 ppm2      4.226 CV     1
 OR {  777}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
 OR {  777}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  777}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 OR {  777}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  779}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.600     1.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.17104E-02 ppm1      0.841 ppm2      3.887 CV     1
 OR {  779}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  782}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak   782 spectrum    1 weight  0.10000E+01 volume  0.40674E-02 ppm1      1.005 ppm2      4.269 CV     1
 OR {  782}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
 OR {  782}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  789}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.15849E-02 ppm1      1.041 ppm2      3.353 CV     1
 OR {  789}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 34   and name HD2 ))
 ASSI {  792}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.600     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.52128E-02 ppm1      0.850 ppm2      1.919 CV     1
 OR {  792}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
 OR {  792}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
 ASSI {  800}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.400     0.700     0.700 peak   800 spectrum    1 weight  0.10000E+01 volume  0.54602E-02 ppm1      0.805 ppm2      1.478 CV     1
 OR {  800}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  801}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.800     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.52694E-02 ppm1      0.840 ppm2      1.674 CV     1
 OR {  801}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  801}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  801}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  802}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
      3.800     1.800     1.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.12444E-02 ppm1      0.839 ppm2      1.536 CV     1
 OR {  802}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 OR {  802}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 OR {  802}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  804}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.19045E-02 ppm1      0.842 ppm2      1.358 CV     1
 OR {  804}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 6    and name HG2%)
 OR {  804}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
 OR {  804}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  809}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.800     0.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.27230E-02 ppm1      0.843 ppm2      0.522 CV     1
 OR {  809}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
 ASSI {  811}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 14   and name HD1%)
      3.200     1.300     1.300 peak   811 spectrum    1 weight  0.10000E+01 volume  0.32132E-02 ppm1      0.811 ppm2      0.705 CV     1
 OR {  811}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 14   and name HD1%)
 ASSI {  812}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB1 ))
      2.500     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.49763E-02 ppm1      0.999 ppm2      1.979 CV     1
 OR {  812}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB1 ))
 OR {  812}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  820}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HD% )
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11095E-02 ppm1      2.212 ppm2      7.233 CV     1
 OR {  820}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
 OR {  820}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  822}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   822 spectrum    1 weight  0.10000E+01 volume  0.20251E-02 ppm1      1.770 ppm2      7.241 CV     1
 OR {  822}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 35   and name HD% )
 ASSI {  826}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11310E-02 ppm1      1.092 ppm2      8.771 CV     1
 OR {  826}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
 ASSI {  837}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak   837 spectrum    1 weight  0.10000E+01 volume  0.52761E-03 ppm1      1.468 ppm2      7.237 CV     1
 OR {  837}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
 OR {  837}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HD% )
 ASSI {  840}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      3.000     1.200     1.200 peak   840 spectrum    1 weight  0.10000E+01 volume  0.21027E-02 ppm1      0.835 ppm2      4.309 CV     1
 OR {  840}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  843}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.600     1.600 peak   843 spectrum    1 weight  0.10000E+01 volume  0.15812E-02 ppm1      1.013 ppm2      4.244 CV     1
 OR {  843}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  852}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.700     0.900     0.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.12632E-02 ppm1      1.464 ppm2      3.076 CV     1
 OR {  852}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  855}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.74339E-03 ppm1      1.714 ppm2      3.909 CV     1
 OR {  855}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 OR {  855}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI {  874}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.700     1.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.71011E-03 ppm1      2.055 ppm2      3.930 CV     1
 OR {  874}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  878}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.100     1.100 peak   878 spectrum    1 weight  0.10000E+01 volume  0.12949E-02 ppm1      2.052 ppm2      1.086 CV     1
 OR {  878}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  881}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      2.000     0.500     0.500 peak   881 spectrum    1 weight  0.10000E+01 volume  0.10863E-01 ppm1      2.053 ppm2      0.834 CV     1
 OR {  881}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  885}
   (( segid "    " and resid 33   and name HG  ))
   (  segid "    " and resid 33   and name HD2%)
      2.500     0.800     0.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.59571E-02 ppm1      1.754 ppm2      1.040 CV     1
 OR {  885}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  889}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      3.200     1.300     1.300 peak   889 spectrum    1 weight  0.10000E+01 volume  0.23646E-02 ppm1      1.092 ppm2      0.527 CV     1
 OR {  889}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
 ASSI {  893}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
      2.500     0.800     0.800 peak   893 spectrum    1 weight  0.10000E+01 volume  0.60816E-02 ppm1      1.092 ppm2      0.826 CV     1
 OR {  893}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 OR {  893}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 OR {  893}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  902}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     1.000     1.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.41444E-02 ppm1      1.290 ppm2      1.649 CV     1
 OR {  902}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  904}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   904 spectrum    1 weight  0.10000E+01 volume  0.55204E-02 ppm1      1.092 ppm2      1.658 CV     1
 OR {  904}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  906}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      3.900     1.900     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.14349E-02 ppm1      1.095 ppm2      2.035 CV     1
 OR {  906}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  907}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.48416E-02 ppm1      0.835 ppm2      2.245 CV     1
 OR {  907}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  908}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      2.000     0.500     0.500 peak   908 spectrum    1 weight  0.10000E+01 volume  0.11467E-01 ppm1      0.835 ppm2      2.050 CV     1
 OR {  908}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  915}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 78   and name HG11))
      4.100     2.100     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      1.007 ppm2      1.820 CV     1
 OR {  915}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {  917}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
      2.400     0.700     0.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.62385E-02 ppm1      0.835 ppm2      1.088 CV     1
 OR {  917}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 48   and name HG2%)
 OR {  917}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
 OR {  917}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 10   and name HD2%)
 OR {  917}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  918}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 10   and name HD1%)
      2.300     0.600     0.600 peak   918 spectrum    1 weight  0.10000E+01 volume  0.68120E-02 ppm1      0.836 ppm2      1.034 CV     1
 OR {  918}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  919}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.100     0.600     0.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.12881E-01 ppm1      0.836 ppm2      0.952 CV     1
 OR {  919}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  920}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
      3.100     1.200     1.200 peak   920 spectrum    1 weight  0.10000E+01 volume  0.33230E-02 ppm1      2.097 ppm2      0.995 CV     1
 OR {  920}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR {  920}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR {  920}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  920}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG1%)
 OR {  920}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  920}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  922}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.29313E-02 ppm1      1.903 ppm2      1.657 CV     1
 OR {  922}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  926}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 58   and name HG2%)
      3.100     1.200     1.200 peak   926 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      1.593 ppm2      0.981 CV     1
 OR {  926}
   (( segid "    " and resid 60   and name HG11))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  929}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 60   and name HG2%)
      2.600     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.35798E-02 ppm1      1.169 ppm2      0.982 CV     1
 OR {  929}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  941}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 26   and name HD2%)
      3.500     1.500     1.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.17937E-02 ppm1      1.285 ppm2      0.814 CV     1
 OR {  941}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  946}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.12025E-02 ppm1      1.555 ppm2      0.825 CV     1
 OR {  946}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  946}
   (( segid "    " and resid 72   and name HG2 ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  946}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 OR {  946}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  951}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 14   and name HD2%)
      2.800     1.000     1.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.20466E-02 ppm1      1.904 ppm2      0.842 CV     1
 OR {  951}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  951}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  957}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.400     1.400 peak   957 spectrum    1 weight  0.10000E+01 volume  0.29379E-02 ppm1      2.094 ppm2      4.518 CV     1
 OR {  957}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
 OR {  957}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 OR {  957}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  960}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.29962E-02 ppm1      1.871 ppm2      4.381 CV     1
 OR {  960}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  974}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
      2.100     0.600     0.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.30824E-02 ppm1      1.474 ppm2      4.380 CV     1
 OR {  974}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
 ASSI {  979}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   979 spectrum    1 weight  0.10000E+01 volume  0.18171E-02 ppm1      1.718 ppm2      4.355 CV     1
 OR {  979}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  982}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak   982 spectrum    1 weight  0.10000E+01 volume  0.18832E-02 ppm1      1.871 ppm2      7.695 CV     1
 OR {  982}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  984}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.16940E-02 ppm1      1.475 ppm2      7.696 CV     1
 OR {  984}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  985}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.41920E-02 ppm1      1.714 ppm2      8.192 CV     1
 OR {  985}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  999}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HN  ))
      3.500     1.500     1.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.70481E-03 ppm1      1.874 ppm2      7.869 CV     1
 OR {  999}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1003}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
      4.700     2.700     1.300 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.64005E-03 ppm1      1.632 ppm2      7.697 CV     1
 OR { 1003}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1047}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 78   and name HG2%)
      2.800     1.000     1.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.25521E-02 ppm1      1.217 ppm2      0.897 CV     1
 OR { 1047}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 1050}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG1 ))
      2.200     0.600     0.600 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.14415E-01 ppm1      2.213 ppm2      2.446 CV     1
 OR { 1050}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HG2 ))
 OR { 1050}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 1065}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.900     3.000     1.100 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.48534E-03 ppm1      2.342 ppm2      0.900 CV     1
 OR { 1065}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
 OR { 1065}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1070}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.400     0.700     0.700 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.53671E-02 ppm1      2.215 ppm2      4.345 CV     1
 OR { 1070}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1087}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.93464E-03 ppm1      2.340 ppm2      8.281 CV     1
 OR { 1087}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1088}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.18729E-02 ppm1      2.232 ppm2      8.261 CV     1
 OR { 1088}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1090}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.95357E-03 ppm1      2.203 ppm2      8.281 CV     1
 OR { 1090}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1096}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.51804E-03 ppm1      2.137 ppm2      7.689 CV     1
 OR { 1096}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1124}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.400     1.400     1.400 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.66963E-03 ppm1      1.811 ppm2      7.687 CV     1
 OR { 1124}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1127}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.32390E-02 ppm1      2.194 ppm2      8.166 CV     1
 OR { 1127}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1134}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.58095E-03 ppm1      2.043 ppm2      8.268 CV     1
 OR { 1134}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1134}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1134}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1134}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1141}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.200     2.200     1.800 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.39542E-03 ppm1      2.007 ppm2      4.337 CV     1
 OR { 1141}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI { 1155}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.800     1.800     1.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.44947E-03 ppm1      2.017 ppm2      3.928 CV     1
 OR { 1155}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1166}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD2 ))
      3.400     1.500     1.500 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.18526E-02 ppm1      2.020 ppm2      3.305 CV     1
 OR { 1166}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HD2 ))
 OR { 1166}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HD2 ))
 ASSI { 1170}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.300     1.400     1.400 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.10757E-02 ppm1      2.207 ppm2      3.312 CV     1
 OR { 1170}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 1183}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      1.900     0.400     0.400 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.79941E-02 ppm1      1.872 ppm2      1.631 CV     1
 OR { 1183}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 1183}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI { 1185}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.700     0.900     0.900 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.28494E-02 ppm1      2.014 ppm2      1.704 CV     1
 OR { 1185}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 OR { 1185}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 1192}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.100     0.600     0.600 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.14365E-01 ppm1      2.224 ppm2      2.378 CV     1
 OR { 1192}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 OR { 1192}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 1195}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.500     0.800     0.800 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.29610E-02 ppm1      2.202 ppm2      1.630 CV     1
 OR { 1195}
   (( segid "    " and resid 51   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1201}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.200     1.300     1.300 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.21609E-02 ppm1      2.295 ppm2      1.077 CV     1
 OR { 1201}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1201}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1202}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.500     1.500 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.87867E-03 ppm1      2.405 ppm2      1.083 CV     1
 OR { 1202}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1202}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1204}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 55   and name HB2 ))
      4.100     2.100     1.900 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.91736E-03 ppm1      2.013 ppm2      1.427 CV     1
 OR { 1204}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1206}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
      3.800     1.800     1.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.85362E-03 ppm1      2.031 ppm2      1.424 CV     1
 OR { 1206}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1209}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.500     2.500     1.500 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.16434E-02 ppm1      1.874 ppm2      1.087 CV     1
 OR { 1209}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
 OR { 1209}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 1210}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      5.000     3.200     1.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.43070E-03 ppm1      1.872 ppm2      0.817 CV     1
 OR { 1210}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1245}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.100     0.500     0.500 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.12340E-01 ppm1      2.267 ppm2      1.016 CV     1
 OR { 1245}
   (( segid "    " and resid 15   and name HB  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI { 1247}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      4.300     2.300     1.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.62128E-03 ppm1      2.028 ppm2      1.080 CV     1
 OR { 1247}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
 OR { 1247}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 1247}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1247}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1248}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
      4.800     2.800     1.200 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.41575E-03 ppm1      2.023 ppm2      1.003 CV     1
 OR { 1248}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 1248}
   (( segid "    " and resid 67   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1262}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      5.200     3.400     0.800 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.35455E-03 ppm1      2.256 ppm2      1.650 CV     1
 OR { 1262}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 31   and name HB1 ))
 OR { 1262}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1262}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1265}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.500     1.500 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.11245E-02 ppm1      2.841 ppm2      1.025 CV     1
 OR { 1265}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1266}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      3.500     1.500     1.500 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.78073E-03 ppm1      2.728 ppm2      1.026 CV     1
 OR { 1266}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI { 1276}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HD2 ))
      4.700     2.800     1.300 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.39510E-03 ppm1      2.247 ppm2      3.072 CV     1
 OR { 1276}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1277}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HD2 ))
      3.800     1.800     1.800 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.35131E-03 ppm1      2.038 ppm2      3.078 CV     1
 OR { 1277}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1289}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.28636E-02 ppm1      2.843 ppm2      4.283 CV     1
 OR { 1289}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1290}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.29395E-02 ppm1      2.731 ppm2      4.283 CV     1
 OR { 1290}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1293}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.400     1.400     1.400 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.11861E-02 ppm1      2.255 ppm2      7.235 CV     1
 OR { 1293}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
 ASSI { 1294}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.53455E-03 ppm1      2.034 ppm2      7.232 CV     1
 OR { 1294}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1308}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      4.000     2.000     2.000 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.56346E-03 ppm1      2.328 ppm2      7.913 CV     1
 OR { 1308}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1309}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.600     1.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.19875E-02 ppm1      2.326 ppm2      7.755 CV     1
 OR { 1309}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI { 1318}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
      4.100     2.100     1.900 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.93690E-03 ppm1      2.328 ppm2      0.984 CV     1
 OR { 1318}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1318}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 70   and name HG2%)
 OR { 1318}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1319}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
      2.100     0.600     0.600 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.84622E-02 ppm1      2.103 ppm2      0.941 CV     1
 OR { 1319}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1331}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.900     3.000     1.100 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.47107E-03 ppm1      2.343 ppm2      4.336 CV     1
 OR { 1331}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1337}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.200     1.300     1.300 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.88454E-03 ppm1      2.679 ppm2      0.890 CV     1
 OR { 1337}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1347}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 48   and name HN  ))
      4.800     2.900     1.200 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.45003E-03 ppm1      2.563 ppm2      8.288 CV     1
 OR { 1347}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1348}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      5.200     3.300     0.800 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.32218E-03 ppm1      2.447 ppm2      8.289 CV     1
 OR { 1348}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1352}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 37   and name HN  ))
      3.500     1.500     1.500 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.16026E-02 ppm1      2.451 ppm2      7.688 CV     1
 OR { 1352}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
 OR { 1352}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1355}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.45748E-02 ppm1      2.450 ppm2      4.347 CV     1
 OR { 1355}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 1355}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 1356}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 50   and name HA  ))
      4.200     2.200     1.800 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.49800E-03 ppm1      2.688 ppm2      4.331 CV     1
 OR { 1356}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 52   and name HA  ))
 OR { 1356}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 1373}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.800     1.800     1.800 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.77533E-03 ppm1      2.446 ppm2      1.799 CV     1
 OR { 1373}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 43   and name HG  ))
 OR { 1373}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 1375}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 60   and name HD1%)
      3.800     1.800     1.800 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.12858E-02 ppm1      2.354 ppm2      0.902 CV     1
 OR { 1375}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1375}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1377}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      4.800     2.900     1.200 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.53635E-03 ppm1      2.486 ppm2      1.091 CV     1
 OR { 1377}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1377}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1382}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HG11))
      3.600     1.600     1.600 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.46276E-03 ppm1      2.682 ppm2      1.588 CV     1
 OR { 1382}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1383}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
      3.100     1.200     1.200 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.42523E-03 ppm1      2.357 ppm2      1.603 CV     1
 OR { 1383}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1388}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD22))
      3.400     1.500     1.500 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.24551E-02 ppm1      2.797 ppm2      7.661 CV     1
 OR { 1388}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 1426}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
      5.000     3.100     1.000 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.48555E-03 ppm1      3.126 ppm2      7.012 CV     1
 OR { 1426}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 40   and name HD% )
 ASSI { 1432}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.69807E-03 ppm1      3.447 ppm2      7.010 CV     1
 OR { 1432}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1436}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.69313E-03 ppm1      3.380 ppm2      7.242 CV     1
 OR { 1436}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1438}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.83109E-03 ppm1      3.384 ppm2      8.015 CV     1
 OR { 1438}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1439}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.28448E-02 ppm1      3.447 ppm2      4.367 CV     1
 OR { 1439}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1442}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.22350E-02 ppm1      3.126 ppm2      4.368 CV     1
 OR { 1442}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1451}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      3.382 ppm2      1.646 CV     1
 OR { 1451}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1457}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.800     1.000     1.000 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.32577E-02 ppm1      3.380 ppm2      1.086 CV     1
 OR { 1457}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1463}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 82   and name HD2%)
      3.800     1.800     1.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.58254E-03 ppm1      1.908 ppm2      1.019 CV     1
 OR { 1463}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1463}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1464}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG12))
      3.100     1.200     1.200 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.20280E-02 ppm1      1.926 ppm2      1.172 CV     1
 OR { 1464}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 42   and name H6A ))
 ASSI { 1467}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG11))
      2.500     0.800     0.800 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.27752E-02 ppm1      1.922 ppm2      1.593 CV     1
 OR { 1467}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1478}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      3.700     1.700     1.700 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.12409E-02 ppm1      2.334 ppm2      7.865 CV     1
 OR { 1478}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1479}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.500     1.500 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.20272E-02 ppm1      2.336 ppm2      7.696 CV     1
 OR { 1479}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1484}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.20701E-02 ppm1      2.878 ppm2      8.012 CV     1
 OR { 1484}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1492}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.59185E-02 ppm1      2.333 ppm2      4.389 CV     1
 OR { 1492}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1501}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
      3.000     1.100     1.100 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.36294E-02 ppm1      3.442 ppm2      0.972 CV     1
 OR { 1501}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1501}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1502}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.28201E-02 ppm1      2.875 ppm2      0.965 CV     1
 OR { 1502}
   (( segid "    " and resid 29   and name HB1 ))
   (  segid "    " and resid 33   and name HD1%)
 OR { 1502}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1502}
   (( segid "    " and resid 63   and name HB1 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1505}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.13587E-02 ppm1      3.067 ppm2      1.040 CV     1
 OR { 1505}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1506}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.800     1.800     1.800 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.48709E-03 ppm1      3.065 ppm2      0.944 CV     1
 OR { 1506}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 1509}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.18698E-02 ppm1      3.355 ppm2      1.042 CV     1
 OR { 1509}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1511}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.000     1.100     1.100 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.38877E-02 ppm1      2.896 ppm2      1.615 CV     1
 OR { 1511}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 OR { 1511}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1520}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.600     2.700     1.400 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.49040E-03 ppm1      3.064 ppm2      4.385 CV     1
 OR { 1520}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1523}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.53902E-02 ppm1      2.881 ppm2      4.644 CV     1
 OR { 1523}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
 OR { 1523}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1530}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.300     1.400     1.400 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      3.353 ppm2      8.021 CV     1
 OR { 1530}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1531}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.400     1.500     1.500 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.18176E-02 ppm1      3.067 ppm2      8.015 CV     1
 OR { 1531}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1532}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.17696E-02 ppm1      2.884 ppm2      8.617 CV     1
 OR { 1532}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1534}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.10125E-02 ppm1      2.887 ppm2      8.265 CV     1
 OR { 1534}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
 OR { 1534}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 1559}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
      2.500     0.800     0.800 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.42755E-02 ppm1      1.807 ppm2      1.628 CV     1
 OR { 1559}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1569}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.20088E-02 ppm1      1.811 ppm2      4.210 CV     1
 OR { 1569}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1572}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.36467E-02 ppm1      1.802 ppm2      4.267 CV     1
 OR { 1572}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1585}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      3.400     1.500     1.500 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.28616E-02 ppm1      2.996 ppm2      7.866 CV     1
 OR { 1585}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 OR { 1585}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1591}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.17748E-02 ppm1      1.809 ppm2      8.270 CV     1
 OR { 1591}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1593}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.700     1.700     1.700 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.25703E-02 ppm1      1.801 ppm2      8.175 CV     1
 OR { 1593}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 1603}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.48401E-02 ppm1      2.808 ppm2      8.470 CV     1
 OR { 1603}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1603}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1603}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1625}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.43285E-02 ppm1      1.653 ppm2      8.771 CV     1
 OR { 1625}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1626}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.300     0.700     0.700 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.49358E-02 ppm1      1.667 ppm2      7.926 CV     1
 OR { 1626}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1642}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.44130E-02 ppm1      2.450 ppm2      4.247 CV     1
 OR { 1642}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1644}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      2.247 ppm2      3.924 CV     1
 OR { 1644}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
 OR { 1644}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1650}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.11823E-02 ppm1      1.649 ppm2      3.638 CV     1
 OR { 1650}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1651}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.400     0.700     0.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.41104E-02 ppm1      1.676 ppm2      4.239 CV     1
 OR { 1651}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1661}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.10998E-02 ppm1      3.000 ppm2      2.202 CV     1
 OR { 1661}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB1 ))
 OR { 1661}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI { 1663}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.700     0.400     0.500 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.10266E-01 ppm1      1.647 ppm2      2.042 CV     1
 OR { 1663}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 1669}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.800     0.400     0.400 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.10706E-01 ppm1      1.086 ppm2      1.651 CV     1
 OR { 1669}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1677}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      3.000     1.100     1.100 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.14433E-02 ppm1      3.000 ppm2      1.803 CV     1
 OR { 1677}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
 OR { 1677}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
 OR { 1677}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 1678}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 33   and name HB2 ))
      3.900     1.900     1.900 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.16475E-02 ppm1      2.998 ppm2      1.431 CV     1
 OR { 1678}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR { 1678}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 1680}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.17693E-02 ppm1      2.999 ppm2      1.052 CV     1
 OR { 1680}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1680}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 1681}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 33   and name HD1%)
      3.700     1.700     1.700 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.12500E-02 ppm1      3.004 ppm2      0.946 CV     1
 OR { 1681}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
 OR { 1681}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1681}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1684}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
      2.700     0.900     0.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.23512E-02 ppm1      2.246 ppm2      0.967 CV     1
 OR { 1684}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1685}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.37191E-02 ppm1      2.245 ppm2      0.835 CV     1
 OR { 1685}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1690}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      3.100     1.200     1.200 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.29822E-02 ppm1      1.930 ppm2      0.838 CV     1
 OR { 1690}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1692}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      2.200     0.600     0.600 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.10875E-01 ppm1      1.654 ppm2      0.817 CV     1
 OR { 1692}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 1692}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 OR { 1692}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1693}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      2.800     1.000     1.000 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.26110E-02 ppm1      1.653 ppm2      0.531 CV     1
 OR { 1693}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 1694}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.700     0.300     0.500 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.17871E-01 ppm1      1.657 ppm2      1.075 CV     1
 OR { 1694}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
 OR { 1694}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 1695}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      2.800     1.000     1.000 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.48001E-02 ppm1      1.411 ppm2      0.962 CV     1
 OR { 1695}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD1%)
 OR { 1695}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1696}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
      2.500     0.800     0.800 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.39406E-02 ppm1      1.405 ppm2      0.835 CV     1
 OR { 1696}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1706}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HG  ))
      3.200     1.300     1.300 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.18509E-02 ppm1      2.250 ppm2      2.039 CV     1
 OR { 1706}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI { 1722}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
      2.200     0.600     0.600 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.11841E-01 ppm1      1.984 ppm2      0.989 CV     1
 OR { 1722}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1722}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1722}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 1722}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 1722}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1722}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1725}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
      2.900     1.100     1.100 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.20324E-02 ppm1      1.551 ppm2      0.807 CV     1
 OR { 1725}
   (( segid "    " and resid 5    and name HB1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1726}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 78   and name HD1%)
      3.700     1.700     1.700 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.18620E-02 ppm1      1.452 ppm2      0.813 CV     1
 OR { 1726}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 1726}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1730}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      2.500     0.800     0.800 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.55214E-02 ppm1      1.578 ppm2      0.988 CV     1
 OR { 1730}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 1730}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1733}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      2.400     0.700     0.700 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.56047E-02 ppm1      1.785 ppm2      1.044 CV     1
 OR { 1733}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1743}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.100     0.600     0.600 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.12393E-01 ppm1      1.987 ppm2      4.267 CV     1
 OR { 1743}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
 OR { 1743}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
 OR { 1743}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1748}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.400     1.400     1.400 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.17091E-02 ppm1      1.480 ppm2      4.359 CV     1
 OR { 1748}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1758}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.200     0.600     0.600 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.97605E-02 ppm1      1.989 ppm2      7.943 CV     1
 OR { 1758}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
 OR { 1758}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 1782}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HN  ))
      4.400     2.400     1.600 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.53841E-03 ppm1      3.442 ppm2      8.175 CV     1
 OR { 1782}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1798}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     3.000     3.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.73876E-03 ppm1      3.284 ppm2      4.339 CV     1
 OR { 1798}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 50   and name HA  ))
 OR { 1798}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1801}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.84483E-03 ppm1      3.437 ppm2      4.341 CV     1
 OR { 1801}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1816}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.400     0.700     0.700 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.61587E-02 ppm1      3.316 ppm2      1.923 CV     1
 OR { 1816}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 1819}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.30198E-02 ppm1      3.435 ppm2      2.204 CV     1
 OR { 1819}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1821}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HD2 ))
      1.400     0.300     0.800 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.32681E-01 ppm1      3.433 ppm2      3.314 CV     1
 OR { 1821}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 1826}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.64602E-02 ppm1      4.248 ppm2      7.865 CV     1
 OR { 1826}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1827}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 38   and name HN  ))
      5.200     3.400     0.800 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.31076E-03 ppm1      4.234 ppm2      7.696 CV     1
 OR { 1827}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1828}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.200     0.600     0.600 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.82729E-02 ppm1      3.817 ppm2      7.864 CV     1
 OR { 1828}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1829}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 38   and name HN  ))
      5.000     3.200     1.000 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.34514E-03 ppm1      3.822 ppm2      7.697 CV     1
 OR { 1829}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1831}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.38184E-02 ppm1      4.260 ppm2      8.592 CV     1
 OR { 1831}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI { 1832}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.89215E-03 ppm1      3.814 ppm2      4.368 CV     1
 OR { 1832}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 36   and name HA  ))
 OR { 1832}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1839}
   (( segid "    " and resid 23   and name HA2 ))
   (  segid "    " and resid 24   and name HG2%)
      3.900     1.900     1.900 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.75918E-03 ppm1      4.064 ppm2      1.218 CV     1
 OR { 1839}
   (( segid "    " and resid 23   and name HA1 ))
   (  segid "    " and resid 24   and name HG2%)
 OR { 1839}
   (( segid "    " and resid 19   and name HA2 ))
   (  segid "    " and resid 21   and name HG2%)
 ASSI { 1844}
   (( segid "    " and resid 66   and name HA1 ))
   (  segid "    " and resid 65   and name HB% )
      4.600     2.700     1.400 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.43941E-03 ppm1      4.113 ppm2      1.490 CV     1
 OR { 1844}
   (( segid "    " and resid 19   and name HA1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1845}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HA  ))
      4.300     2.300     1.700 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.54633E-03 ppm1      4.065 ppm2      4.714 CV     1
 OR { 1845}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 1845}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1851}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      4.041 ppm2      4.250 CV     1
 OR { 1851}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HA  ))
 OR { 1851}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1861}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 4    and name HD2%)
      4.200     2.200     1.800 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.32677E-03 ppm1      4.047 ppm2      0.974 CV     1
 OR { 1861}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1861}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1861}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1861}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 1861}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1861}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1875}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
      3.400     1.400     1.400 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.37936E-02 ppm1      4.033 ppm2      0.988 CV     1
 OR { 1875}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1875}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1876}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
      2.400     0.700     0.700 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.69746E-02 ppm1      3.539 ppm2      0.986 CV     1
 OR { 1876}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1876}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1884}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     2.900     3.100 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.81474E-03 ppm1      3.077 ppm2      0.949 CV     1
 OR { 1884}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 1900}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.400     1.400     1.400 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.35115E-03 ppm1      3.077 ppm2      4.363 CV     1
 OR { 1900}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1905}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.300     1.400     1.400 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.46695E-03 ppm1      4.074 ppm2      4.364 CV     1
 OR { 1905}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1906}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 35   and name HD% )
      3.500     1.500     1.500 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.83063E-03 ppm1      4.065 ppm2      7.244 CV     1
 OR { 1906}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1907}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     1.200     1.200 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.93448E-03 ppm1      3.077 ppm2      7.244 CV     1
 OR { 1907}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HD% )
 ASSI { 1928}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.18986E-02 ppm1      5.049 ppm2      1.022 CV     1
 OR { 1928}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 1935}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.16859E-02 ppm1      4.360 ppm2      1.047 CV     1
 OR { 1935}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 1937}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      3.200     1.300     1.300 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.13402E-02 ppm1      4.185 ppm2      1.082 CV     1
 OR { 1937}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 OR { 1937}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1938}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      3.300     1.300     1.300 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.14566E-02 ppm1      4.183 ppm2      0.975 CV     1
 OR { 1938}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1938}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 1985}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.400     1.400 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.14475E-02 ppm1      4.347 ppm2      8.461 CV     1
 OR { 1985}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1986}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.33537E-02 ppm1      4.342 ppm2      8.276 CV     1
 OR { 1986}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1986}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 OR { 1986}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1986}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1988}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 79   and name HD21))
      4.700     2.700     1.300 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.60337E-03 ppm1      4.352 ppm2      7.492 CV     1
 OR { 1988}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HE  ))
 ASSI { 1992}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.10564E-02 ppm1      4.342 ppm2      3.997 CV     1
 OR { 1992}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR { 1992}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI { 1994}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      3.800     1.800     1.800 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.92219E-03 ppm1      4.335 ppm2      3.285 CV     1
 OR { 1994}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
 ASSI { 1999}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      3.500     1.500     1.500 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.89719E-03 ppm1      4.338 ppm2      2.654 CV     1
 OR { 1999}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 2008}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      4.100     2.100     1.900 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.15524E-02 ppm1      4.591 ppm2      1.421 CV     1
 OR { 2008}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2011}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.700     1.700     1.700 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.90434E-03 ppm1      4.342 ppm2      1.098 CV     1
 OR { 2011}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2011}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 OR { 2011}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 OR { 2011}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2014}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      5.100     3.300     0.900 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.35251E-03 ppm1      4.356 ppm2      0.598 CV     1
 OR { 2014}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
 OR { 2014}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2020}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 42   and name H8% )
      2.500     0.800     0.800 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.53506E-02 ppm1      3.925 ppm2      0.847 CV     1
 OR { 2020}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2027}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      4.100     2.100     1.900 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.58131E-03 ppm1      4.475 ppm2      0.996 CV     1
 OR { 2027}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 OR { 2027}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2028}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.300     1.400     1.400 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.13253E-02 ppm1      3.925 ppm2      1.080 CV     1
 OR { 2028}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2028}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2029}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      4.200     2.200     1.800 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.11277E-02 ppm1      3.926 ppm2      0.986 CV     1
 OR { 2029}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 2029}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2035}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.51220E-02 ppm1      3.925 ppm2      8.544 CV     1
 OR { 2035}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2040}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      2.400     0.700     0.700 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.12679E-01 ppm1      4.273 ppm2      0.984 CV     1
 OR { 2040}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 2040}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 2041}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.400     0.800     0.800 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.73032E-02 ppm1      4.274 ppm2      1.573 CV     1
 OR { 2041}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 2044}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      4.300     2.300     1.700 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.52452E-03 ppm1      3.928 ppm2      1.690 CV     1
 OR { 2044}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 2066}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.800     1.000     1.000 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.44644E-02 ppm1      4.693 ppm2      1.044 CV     1
 OR { 2066}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 2068}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD1%)
      3.200     1.300     1.300 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.18674E-02 ppm1      4.693 ppm2      0.941 CV     1
 OR { 2068}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 2070}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.400     0.700     0.700 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.61685E-02 ppm1      4.490 ppm2      0.983 CV     1
 OR { 2070}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 2072}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      2.000     0.500     0.500 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.15143E-01 ppm1      4.256 ppm2      1.063 CV     1
 OR { 2072}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 2072}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2072}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 2073}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.79102E-02 ppm1      4.290 ppm2      0.976 CV     1
 OR { 2073}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2073}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2079}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.500     1.500     1.500 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.17515E-02 ppm1      4.189 ppm2      0.833 CV     1
 OR { 2079}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 2079}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 OR { 2079}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2083}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.11652E-02 ppm1      3.975 ppm2      1.095 CV     1
 OR { 2083}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 2083}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2085}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.100     1.200     1.200 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.19824E-02 ppm1      3.974 ppm2      1.617 CV     1
 OR { 2085}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2089}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.70332E-02 ppm1      4.188 ppm2      1.643 CV     1
 OR { 2089}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2099}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     1.000     1.000 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.30818E-02 ppm1      4.517 ppm2      2.028 CV     1
 OR { 2099}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2099}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2104}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.400     0.700     0.700 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.70450E-02 ppm1      4.659 ppm2      2.899 CV     1
 OR { 2104}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 2104}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI { 2111}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.10422E-02 ppm1      4.513 ppm2      1.673 CV     1
 OR { 2111}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2112}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 42   and name H8% )
      4.000     2.000     2.000 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.58105E-03 ppm1      3.970 ppm2      0.837 CV     1
 OR { 2112}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2117}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.31398E-03 ppm1      3.968 ppm2      7.013 CV     1
 OR { 2117}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2119}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      4.900     3.000     1.100 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.36039E-03 ppm1      3.968 ppm2      8.166 CV     1
 OR { 2119}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2121}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.100     1.200     1.200 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.19648E-02 ppm1      3.973 ppm2      8.279 CV     1
 OR { 2121}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2125}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.300     0.700     0.700 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.73290E-02 ppm1      4.263 ppm2      7.925 CV     1
 OR { 2125}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
 OR { 2125}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2131}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.21673E-02 ppm1      4.511 ppm2      7.939 CV     1
 OR { 2131}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2138}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.25820E-02 ppm1      4.695 ppm2      8.019 CV     1
 OR { 2138}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2145}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      2.900     1.100     1.100 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.20173E-02 ppm1      3.906 ppm2      1.060 CV     1
 OR { 2145}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2145}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2146}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
      2.400     0.700     0.700 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.91946E-02 ppm1      3.907 ppm2      0.810 CV     1
 OR { 2146}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
 OR { 2146}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2152}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.000     1.000 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.21549E-02 ppm1      3.905 ppm2      1.913 CV     1
 OR { 2152}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI { 2156}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.200     0.600     0.600 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.91319E-02 ppm1      4.272 ppm2      1.982 CV     1
 OR { 2156}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 2156}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 OR { 2156}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 2157}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.200     0.600     0.600 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.10328E-01 ppm1      4.271 ppm2      1.802 CV     1
 OR { 2157}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 OR { 2157}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG  ))
 OR { 2157}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI { 2161}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.500     0.800     0.800 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.47665E-02 ppm1      4.189 ppm2      2.236 CV     1
 OR { 2161}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 2170}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.300     0.600     0.600 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.82538E-02 ppm1      4.274 ppm2      2.335 CV     1
 OR { 2170}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR { 2170}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 2183}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  2183 spectrum    1 weight  0.10000E+01 volume  0.14454E-02 ppm1      4.348 ppm2      7.876 CV     1
 OR { 2183}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2184}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.200     1.300     1.300 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.15871E-02 ppm1      4.347 ppm2      7.689 CV     1
 OR { 2184}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2187}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.200     1.200 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.20931E-02 ppm1      3.907 ppm2      8.448 CV     1
 OR { 2187}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2192}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.49256E-02 ppm1      4.290 ppm2      8.268 CV     1
 OR { 2192}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 2192}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI { 2194}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.16866E-02 ppm1      4.292 ppm2      8.473 CV     1
 OR { 2194}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2195}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.500     1.500     1.500 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.10375E-02 ppm1      4.242 ppm2      8.537 CV     1
 OR { 2195}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI { 2203}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      3.700     1.700     1.700 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.34062E-02 ppm1      4.204 ppm2      0.914 CV     1
 OR { 2203}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2213}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.000     2.000     2.000 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.57724E-03 ppm1      4.552 ppm2      2.223 CV     1
 OR { 2213}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 2213}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2221}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.40508E-02 ppm1      4.554 ppm2      4.111 CV     1
 OR { 2221}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2227}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.600     1.600 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.85553E-03 ppm1      4.031 ppm2      8.268 CV     1
 OR { 2227}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 2252}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.22356E-02 ppm1      3.603 ppm2      1.920 CV     1
 OR { 2252}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
 OR { 2252}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 2255}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.300     0.700     0.700 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.73032E-02 ppm1      3.638 ppm2      1.636 CV     1
 OR { 2255}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
 OR { 2255}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 2257}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.500     0.800     0.800 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.37398E-02 ppm1      3.600 ppm2      1.440 CV     1
 OR { 2257}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 2259}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.000     1.000 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.28613E-02 ppm1      3.616 ppm2      0.832 CV     1
 OR { 2259}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
 OR { 2259}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2261}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.900     1.900     1.900 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.14870E-02 ppm1      3.632 ppm2      1.085 CV     1
 OR { 2261}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 OR { 2261}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2263}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.900     1.900     1.900 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      4.210 ppm2      1.630 CV     1
 OR { 2263}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2267}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.400     0.700     0.700 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.54345E-02 ppm1      4.528 ppm2      2.321 CV     1
 OR { 2267}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI { 2273}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.100     0.500     0.500 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.19640E-01 ppm1      4.335 ppm2      4.083 CV     1
 OR { 2273}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 2273}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 2278}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.600     1.600 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.10668E-02 ppm1      4.209 ppm2      8.266 CV     1
 OR { 2278}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 2304}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.100     1.100 peak  2304 spectrum    1 weight  0.10000E+01 volume  0.23013E-02 ppm1      4.396 ppm2      7.865 CV     1
 OR { 2304}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 2305}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.34534E-02 ppm1      4.396 ppm2      7.695 CV     1
 OR { 2305}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 2306}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      1.900     0.400     0.400 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.20492E-01 ppm1      4.381 ppm2      8.192 CV     1
 OR { 2306}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2308}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      4.100     2.100     1.900 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.97476E-03 ppm1      4.375 ppm2      7.877 CV     1
 OR { 2308}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2309}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.400     1.400 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.24395E-02 ppm1      4.375 ppm2      7.695 CV     1
 OR { 2309}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 2310}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      4.200     2.200     1.800 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.11992E-02 ppm1      4.370 ppm2      7.012 CV     1
 OR { 2310}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2324}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      3.300     1.400     1.400 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.29340E-02 ppm1      4.394 ppm2      1.477 CV     1
 OR { 2324}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 2325}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.600     0.600 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.31972E-02 ppm1      4.377 ppm2      1.479 CV     1
 OR { 2325}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 2330}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      3.800     1.800     1.800 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.26171E-02 ppm1      4.395 ppm2      0.942 CV     1
 OR { 2330}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 2344}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.800     1.800     1.800 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.75774E-03 ppm1      4.108 ppm2      1.608 CV     1
 OR { 2344}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
 OR { 2344}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2346}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 13   and name HB% )
      4.200     2.200     1.800 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.52910E-03 ppm1      4.020 ppm2      1.602 CV     1
 OR { 2346}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 OR { 2346}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2348}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.000     2.000     2.000 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.78696E-03 ppm1      4.019 ppm2      2.211 CV     1
 OR { 2348}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 OR { 2348}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2349}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.000     2.000     2.000 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.59103E-03 ppm1      4.109 ppm2      2.204 CV     1
 OR { 2349}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2355}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.60605E-03 ppm1      3.807 ppm2      4.538 CV     1
 OR { 2355}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2356}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.53974E-03 ppm1      3.744 ppm2      4.543 CV     1
 OR { 2356}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2377}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.400     0.700     0.700 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.77014E-02 ppm1      3.763 ppm2      0.911 CV     1
 OR { 2377}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2380}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      3.100     1.200     1.200 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.23173E-02 ppm1      3.763 ppm2      1.627 CV     1
 OR { 2380}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 2391}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.29349E-02 ppm1      3.927 ppm2      8.261 CV     1
 OR { 2391}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2405}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.500     1.500     1.500 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.31848E-02 ppm1      4.239 ppm2      1.063 CV     1
 OR { 2405}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2405}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2405}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI { 2411}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
      4.500     2.500     1.500 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.43006E-03 ppm1      4.337 ppm2      1.791 CV     1
 OR { 2411}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 2421}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      2.700     0.900     0.900 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.42372E-02 ppm1      3.851 ppm2      0.822 CV     1
 OR { 2421}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 2421}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2434}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 42   and name H8% )
      4.800     2.900     1.200 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.37782E-03 ppm1      3.947 ppm2      0.830 CV     1
 OR { 2434}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 2434}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2438}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HG  ))
      4.800     2.900     1.200 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.26389E-03 ppm1      4.425 ppm2      1.641 CV     1
 OR { 2438}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 13   and name HB% )
 OR { 2438}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 2443}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
      2.300     0.600     0.600 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.94601E-02 ppm1      4.423 ppm2      3.949 CV     1
 OR { 2443}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 2443}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2445}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 42   and name H8% )
      3.900     1.900     1.900 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.37675E-03 ppm1      4.421 ppm2      0.835 CV     1
 OR { 2445}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 2451}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      3.945 ppm2      8.544 CV     1
 OR { 2451}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 2459}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
      4.100     2.100     1.900 peak  2459 spectrum    1 weight  0.10000E+01 volume  0.80928E-03 ppm1      4.295 ppm2      0.809 CV     1
 OR { 2459}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2476}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      3.800     1.800     1.800 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.63197E-03 ppm1      4.569 ppm2      7.261 CV     1
 OR { 2476}
   (( segid "    " and resid 70   and name HB  ))
   (  segid "    " and resid 35   and name HD% )
 ASSI { 2481}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HG1 ))
      5.200     3.400     0.800 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.52256E-03 ppm1      4.569 ppm2      2.234 CV     1
 OR { 2481}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HB1 ))
 OR { 2481}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 2484}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
      3.000     1.100     1.100 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.22078E-02 ppm1      6.759 ppm2      1.605 CV     1
 OR { 2484}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HG  ))
 OR { 2484}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2487}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      2.700     2.700     3.300 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.22965E-02 ppm1      6.759 ppm2      1.062 CV     1
 OR { 2487}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 15   and name HG1%)
 OR { 2487}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2487}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2491}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 13   and name HB% )
      2.600     2.600     3.400 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.14974E-02 ppm1      6.815 ppm2      1.631 CV     1
 OR { 2491}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 4    and name HB1 ))
 ASSI { 2492}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      6.815 ppm2      1.441 CV     1
 OR { 2492}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2498}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.700     1.700 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.88644E-03 ppm1      6.760 ppm2      3.974 CV     1
 OR { 2498}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 2501}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.48713E-03 ppm1      6.758 ppm2      8.429 CV     1
 OR { 2501}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 2502}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.59715E-03 ppm1      6.759 ppm2      8.270 CV     1
 OR { 2502}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 48   and name HN  ))
 OR { 2502}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 41   and name HN  ))
 OR { 2502}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2505}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      3.100     3.100     2.900 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.55327E-03 ppm1      6.813 ppm2      4.800 CV     1
 OR { 2505}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 2520}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 42   and name H8% )
      4.700     2.700     1.300 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.26400E-03 ppm1      6.931 ppm2      0.852 CV     1
 OR { 2520}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 2520}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2523}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      4.600     2.600     1.400 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.32409E-03 ppm1      7.302 ppm2      1.100 CV     1
 OR { 2523}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 2526}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.300     2.300     1.700 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.24268E-03 ppm1      7.295 ppm2      2.202 CV     1
 OR { 2526}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 2527}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.800     1.800     1.800 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.43760E-03 ppm1      7.299 ppm2      2.044 CV     1
 OR { 2527}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2527}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 2531}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      4.000     2.000     2.000 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.66304E-03 ppm1      7.019 ppm2      0.848 CV     1
 OR { 2531}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 42   and name H8% )
 ASSI { 2533}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
      5.100     3.200     0.900 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.37003E-03 ppm1      7.016 ppm2      1.463 CV     1
 OR { 2533}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
 OR { 2533}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 38   and name HG12))
 ASSI { 2535}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB1 ))
      3.300     1.300     1.300 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.14152E-02 ppm1      7.228 ppm2      2.230 CV     1
 OR { 2535}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 10   and name HB1 ))
 OR { 2535}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 2536}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.12959E-02 ppm1      7.226 ppm2      2.030 CV     1
 OR { 2536}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2538}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.60317E-03 ppm1      7.020 ppm2      4.237 CV     1
 OR { 2538}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2542}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      4.300     2.400     1.700 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.85800E-03 ppm1      7.004 ppm2      4.364 CV     1
 OR { 2542}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 OR { 2542}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 2545}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      2.900     2.900     3.100 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.12773E-02 ppm1      7.009 ppm2      1.061 CV     1
 OR { 2545}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 2545}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 2545}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 43   and name HD2%)
 OR { 2545}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 68   and name HG2%)
 OR { 2545}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2547}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
      4.300     2.300     1.700 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.53491E-03 ppm1      7.007 ppm2      0.837 CV     1
 OR { 2547}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
 OR { 2547}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 42   and name H8% )
 ASSI { 2550}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      3.900     1.900     1.900 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.16789E-02 ppm1      7.006 ppm2      1.489 CV     1
 OR { 2550}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 18   and name HB% )
 ASSI { 2554}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.16659E-02 ppm1      7.007 ppm2      7.871 CV     1
 OR { 2554}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2555}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 41   and name HN  ))
      4.300     2.300     1.700 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.53686E-03 ppm1      7.007 ppm2      8.266 CV     1
 OR { 2555}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 48   and name HN  ))
 OR { 2555}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 2556}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.24139E-02 ppm1      7.324 ppm2      8.016 CV     1
 OR { 2556}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2560}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      3.900     1.900     1.900 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.57637E-03 ppm1      7.328 ppm2      4.382 CV     1
 OR { 2560}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 2563}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.100     1.100 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.10497E-02 ppm1      7.323 ppm2      1.471 CV     1
 OR { 2563}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HB1 ))
 ASSI { 2564}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HB2 ))
      3.300     1.400     1.400 peak  2564 spectrum    1 weight  0.10000E+01 volume  0.13203E-02 ppm1      7.325 ppm2      1.353 CV     1
 OR { 2564}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2565}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
      3.400     1.400     1.400 peak  2565 spectrum    1 weight  0.10000E+01 volume  0.95516E-03 ppm1      7.326 ppm2      0.830 CV     1
 OR { 2565}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2566}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      4.000     2.000     2.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.86021E-03 ppm1      7.326 ppm2      1.056 CV     1
 OR { 2566}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
 OR { 2566}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2567}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.600     1.600     1.600 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.10446E-02 ppm1      7.325 ppm2      0.941 CV     1
 OR { 2567}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD1%)
 ASSI { 2573}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      4.500     2.600     1.500 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.55111E-03 ppm1      7.247 ppm2      1.481 CV     1
 OR { 2573}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HG2 ))
 OR { 2573}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 2576}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.34159E-02 ppm1      7.248 ppm2      4.368 CV     1
 OR { 2576}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 2578}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 35   and name HE% )
      2.700     0.900     0.900 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.23138E-02 ppm1      7.246 ppm2      7.019 CV     1
 OR { 2578}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 40   and name HD% )
 ASSI { 2583}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.76217E-03 ppm1      7.368 ppm2      1.433 CV     1
 OR { 2583}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2584}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
      2.700     0.900     0.900 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.35776E-02 ppm1      7.375 ppm2      0.977 CV     1
 OR { 2584}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 58   and name HG2%)
 OR { 2584}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2585}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
      3.300     1.400     1.400 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.38140E-03 ppm1      7.381 ppm2      0.814 CV     1
 OR { 2585}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 2594}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.900     1.900     1.900 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.10650E-02 ppm1      0.966 ppm2      2.787 CV     1
 OR { 2594}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {   11}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.400     1.500     1.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      8.476 ppm2      4.264 CV     1
 OR {   11}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   13}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.30728E-02 ppm1      8.473 ppm2      1.800 CV     1
 OR {   13}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {   32}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      3.900     1.900     1.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.13453E-02 ppm1      8.906 ppm2      0.979 CV     1
 OR {   32}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   37}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.900     1.900     1.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.11847E-02 ppm1      8.191 ppm2      0.979 CV     1
 OR {   37}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {   40}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      2.900     1.000     1.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      8.193 ppm2      1.370 CV     1
 OR {   40}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {   46}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.300     1.400     1.400 peak    46 spectrum    1 weight  0.10000E+01 volume  0.39996E-03 ppm1      7.916 ppm2      0.987 CV     1
 OR {   46}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {   46}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {   52}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.400     1.500     1.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.10456E-02 ppm1      7.921 ppm2      4.288 CV     1
 OR {   52}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {   67}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.17144E-02 ppm1      8.486 ppm2      8.581 CV     1
 OR {   67}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {   77}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.400     2.500     1.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.98757E-03 ppm1      9.395 ppm2      1.717 CV     1
 OR {   77}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {   82}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.500     1.500     1.500 peak    82 spectrum    1 weight  0.10000E+01 volume  0.21486E-02 ppm1      9.395 ppm2      0.991 CV     1
 OR {   82}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {   82}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {   83}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      3.900     1.900     1.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.17706E-02 ppm1      9.395 ppm2      0.902 CV     1
 OR {   83}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {   84}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.100     2.100     1.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.89097E-03 ppm1      9.392 ppm2      0.805 CV     1
 OR {   84}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {   85}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      4.100     2.100     1.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.68053E-03 ppm1      7.680 ppm2      0.986 CV     1
 OR {   85}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 OR {   85}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {   86}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.500     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.58583E-03 ppm1      7.677 ppm2      0.901 CV     1
 OR {   86}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 OR {   86}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {   90}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
      4.000     2.000     2.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13255E-02 ppm1      7.915 ppm2      1.026 CV     1
 OR {   90}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   92}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.100     2.100     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.11046E-02 ppm1      7.916 ppm2      1.604 CV     1
 OR {   92}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {   95}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      5.200     3.400     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.25848E-03 ppm1      7.911 ppm2      2.335 CV     1
 OR {   95}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {   95}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {   95}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI {  102}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.200     1.200     1.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.18885E-02 ppm1      7.917 ppm2      4.346 CV     1
 OR {  102}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  102}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  106}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      4.100     2.100     1.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.88855E-03 ppm1      7.678 ppm2      4.279 CV     1
 OR {  106}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  122}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.48709E-02 ppm1      8.544 ppm2      3.932 CV     1
 OR {  122}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  130}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.300     2.300     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.50708E-03 ppm1      8.544 ppm2      2.337 CV     1
 OR {  130}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  130}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  130}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  134}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.500     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.18031E-02 ppm1      8.544 ppm2      1.090 CV     1
 OR {  134}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  136}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.900     3.000     1.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.44724E-03 ppm1      8.544 ppm2      0.990 CV     1
 OR {  136}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  136}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  137}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 42   and name H8% )
      3.500     1.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.88963E-03 ppm1      8.543 ppm2      0.840 CV     1
 OR {  137}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  139}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.100     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.15758E-02 ppm1      7.910 ppm2      4.109 CV     1
 OR {  139}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  143}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   143 spectrum    1 weight  0.10000E+01 volume  0.40764E-02 ppm1      7.911 ppm2      8.253 CV     1
 OR {  143}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  152}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      5.200     3.400     0.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.40472E-03 ppm1      8.177 ppm2      2.328 CV     1
 OR {  152}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  152}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  158}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.600     2.700     1.400 peak   158 spectrum    1 weight  0.10000E+01 volume  0.35590E-03 ppm1      8.292 ppm2      1.066 CV     1
 OR {  158}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 OR {  158}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  159}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.100     1.200     1.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.33712E-02 ppm1      8.295 ppm2      0.987 CV     1
 OR {  159}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 OR {  159}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  170}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.52755E-02 ppm1      8.255 ppm2      2.887 CV     1
 OR {  170}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
 OR {  170}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  176}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.70574E-03 ppm1      8.254 ppm2      7.894 CV     1
 OR {  176}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  180}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.42696E-02 ppm1      7.940 ppm2      4.266 CV     1
 OR {  180}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  188}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      3.700     1.700     1.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.15846E-02 ppm1      7.941 ppm2      1.814 CV     1
 OR {  188}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  206}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.300     1.300     1.300 peak   206 spectrum    1 weight  0.10000E+01 volume  0.20320E-02 ppm1      7.246 ppm2      1.038 CV     1
 OR {  206}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  213}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.100     2.100     1.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.60157E-03 ppm1      7.246 ppm2      3.364 CV     1
 OR {  213}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  214}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.500     1.500     1.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.99570E-03 ppm1      7.246 ppm2      3.062 CV     1
 OR {  214}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  214}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  222}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.100     2.100     1.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.51526E-03 ppm1      8.189 ppm2      7.678 CV     1
 OR {  222}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  224}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HE% )
      4.600     2.700     1.400 peak   224 spectrum    1 weight  0.10000E+01 volume  0.43606E-03 ppm1      8.189 ppm2      7.012 CV     1
 OR {  224}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
 ASSI {  228}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.29035E-02 ppm1      8.190 ppm2      4.366 CV     1
 OR {  228}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  229}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.20598E-02 ppm1      8.189 ppm2      3.443 CV     1
 OR {  229}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
 ASSI {  233}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.100     1.100 peak   233 spectrum    1 weight  0.10000E+01 volume  0.15602E-02 ppm1      8.189 ppm2      2.201 CV     1
 OR {  233}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  243}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.200     2.200     1.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.57575E-03 ppm1      8.021 ppm2      1.047 CV     1
 OR {  243}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  245}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.200     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.10241E-02 ppm1      7.962 ppm2      0.987 CV     1
 OR {  245}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  248}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
      2.200     0.600     0.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.10748E-01 ppm1      7.961 ppm2      1.591 CV     1
 OR {  248}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  251}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.300     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.27001E-02 ppm1      8.017 ppm2      3.065 CV     1
 OR {  251}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  257}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.900     0.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.50194E-02 ppm1      7.959 ppm2      4.291 CV     1
 OR {  257}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  259}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.400     2.400     1.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.42725E-03 ppm1      7.960 ppm2      4.463 CV     1
 OR {  259}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  263}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.65219E-03 ppm1      8.017 ppm2      7.228 CV     1
 OR {  263}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI {  276}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      3.000     1.100     1.100 peak   276 spectrum    1 weight  0.10000E+01 volume  0.16169E-02 ppm1      9.172 ppm2      2.316 CV     1
 OR {  276}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  278}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.500     2.600     1.500 peak   278 spectrum    1 weight  0.10000E+01 volume  0.61994E-03 ppm1      9.175 ppm2      0.998 CV     1
 OR {  278}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  279}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.300     3.300     2.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.73639E-03 ppm1      8.474 ppm2      8.173 CV     1
 OR {  279}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  281}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.600     0.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.72868E-02 ppm1      8.474 ppm2      8.276 CV     1
 OR {  281}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  283}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.38583E-02 ppm1      8.476 ppm2      4.257 CV     1
 OR {  283}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  287}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.94271E-02 ppm1      8.474 ppm2      2.335 CV     1
 OR {  287}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 OR {  287}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 31   and name HD2%)
      3.100     1.200     1.200 peak   292 spectrum    1 weight  0.10000E+01 volume  0.64365E-03 ppm1      6.912 ppm2      0.823 CV     1
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 75   and name HD1%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 31   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 75   and name HD2%)
 OR {  292}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  301}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.700     1.800     1.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.19413E-03 ppm1      8.781 ppm2      6.912 CV     1
 OR {  301}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HH11))
 OR {  301}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HH12))
 ASSI {  305}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   305 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      8.777 ppm2      4.245 CV     1
 OR {  305}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  305}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  309}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      3.300     1.400     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.19628E-02 ppm1      8.776 ppm2      1.083 CV     1
 OR {  309}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  309}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  310}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.700     1.700     1.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.20854E-02 ppm1      8.775 ppm2      0.824 CV     1
 OR {  310}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 OR {  310}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 OR {  310}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  313}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.500     2.600     1.500 peak   313 spectrum    1 weight  0.10000E+01 volume  0.36895E-03 ppm1      8.628 ppm2      0.991 CV     1
 OR {  313}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 OR {  313}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  322}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.31793E-02 ppm1      8.534 ppm2      8.256 CV     1
 OR {  322}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  327}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.100     1.200     1.200 peak   327 spectrum    1 weight  0.10000E+01 volume  0.34373E-02 ppm1      8.534 ppm2      2.218 CV     1
 OR {  327}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI {  328}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.54875E-02 ppm1      8.534 ppm2      2.052 CV     1
 OR {  328}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
 ASSI {  334}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.400     1.400 peak   334 spectrum    1 weight  0.10000E+01 volume  0.13810E-02 ppm1      7.879 ppm2      7.697 CV     1
 OR {  334}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI {  338}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.54216E-02 ppm1      7.904 ppm2      4.247 CV     1
 OR {  338}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
 OR {  338}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  339}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.400     1.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.11008E-02 ppm1      7.875 ppm2      4.348 CV     1
 OR {  339}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  341}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.59854E-03 ppm1      7.937 ppm2      4.590 CV     1
 OR {  341}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  360}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.400     2.400     1.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.60996E-03 ppm1      7.936 ppm2      2.032 CV     1
 OR {  360}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  360}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  360}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  363}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.500     1.600     1.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.27371E-02 ppm1      7.910 ppm2      1.078 CV     1
 OR {  363}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 OR {  363}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 OR {  363}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  364}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.100     2.100     1.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.93757E-03 ppm1      7.938 ppm2      0.817 CV     1
 OR {  364}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  364}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  378}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     1.300     1.300 peak   378 spectrum    1 weight  0.10000E+01 volume  0.16893E-02 ppm1      8.540 ppm2      3.930 CV     1
 OR {  378}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  387}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.78506E-03 ppm1      8.540 ppm2      1.085 CV     1
 OR {  387}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  391}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.000     2.000     2.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.17922E-02 ppm1      8.471 ppm2      0.906 CV     1
 OR {  391}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  402}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      4.100     2.100     1.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.63609E-03 ppm1      8.543 ppm2      8.002 CV     1
 OR {  402}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  404}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.53187E-02 ppm1      8.409 ppm2      8.265 CV     1
 OR {  404}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI {  407}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.100     2.100     1.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.41285E-03 ppm1      8.413 ppm2      7.006 CV     1
 OR {  407}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 35   and name HE% )
 ASSI {  409}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.600     1.600     1.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.84971E-03 ppm1      8.412 ppm2      4.358 CV     1
 OR {  409}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  410}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      4.200     2.200     1.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.77955E-03 ppm1      8.414 ppm2      4.312 CV     1
 OR {  410}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  412}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.600     1.600     1.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.72132E-03 ppm1      8.414 ppm2      2.894 CV     1
 OR {  412}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  414}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.500     0.800     0.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.53203E-02 ppm1      8.414 ppm2      1.809 CV     1
 OR {  414}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  416}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.600     0.800     0.800 peak   416 spectrum    1 weight  0.10000E+01 volume  0.76664E-02 ppm1      8.414 ppm2      1.616 CV     1
 OR {  416}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  422}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.100     2.100     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.11198E-02 ppm1      8.302 ppm2      0.908 CV     1
 OR {  422}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  430}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.69391E-02 ppm1      8.303 ppm2      4.095 CV     1
 OR {  430}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  430}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  434}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.37382E-02 ppm1      8.167 ppm2      8.539 CV     1
 OR {  434}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  440}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      3.100     1.200     1.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.16584E-02 ppm1      8.171 ppm2      4.319 CV     1
 OR {  440}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  443}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.600     1.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.10797E-02 ppm1      8.165 ppm2      3.940 CV     1
 OR {  443}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  456}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.400     1.500     1.500 peak   456 spectrum    1 weight  0.10000E+01 volume  0.76427E-03 ppm1      7.864 ppm2      1.376 CV     1
 OR {  456}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  464}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.11773E-02 ppm1      7.865 ppm2      4.597 CV     1
 OR {  464}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  484}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.600     1.600     1.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.11235E-02 ppm1      8.757 ppm2      1.914 CV     1
 OR {  484}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  490}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.200     2.200     1.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.65836E-03 ppm1      8.754 ppm2      0.829 CV     1
 OR {  490}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 OR {  490}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  490}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 OR {  490}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  491}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.500     2.500     1.500 peak   491 spectrum    1 weight  0.10000E+01 volume  0.65903E-03 ppm1      8.605 ppm2      0.983 CV     1
 OR {  491}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  502}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.400     1.400 peak   502 spectrum    1 weight  0.10000E+01 volume  0.18007E-02 ppm1      8.604 ppm2      4.331 CV     1
 OR {  502}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI {  504}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      4.700     2.700     1.300 peak   504 spectrum    1 weight  0.10000E+01 volume  0.49867E-03 ppm1      8.605 ppm2      4.097 CV     1
 OR {  504}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  504}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  504}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  506}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak   506 spectrum    1 weight  0.10000E+01 volume  0.33809E-03 ppm1      8.601 ppm2      8.002 CV     1
 OR {  506}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  512}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.14277E-02 ppm1      8.432 ppm2      4.034 CV     1
 OR {  512}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  513}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   513 spectrum    1 weight  0.10000E+01 volume  0.94385E-03 ppm1      8.430 ppm2      4.335 CV     1
 OR {  513}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  517}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   517 spectrum    1 weight  0.10000E+01 volume  0.20553E-02 ppm1      8.433 ppm2      1.457 CV     1
 OR {  517}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  523}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.700     1.800     1.800 peak   523 spectrum    1 weight  0.10000E+01 volume  0.13249E-02 ppm1      8.290 ppm2      1.113 CV     1
 OR {  523}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 OR {  523}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  524}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.100     2.100     1.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.12058E-02 ppm1      8.290 ppm2      1.045 CV     1
 OR {  524}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  526}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.200     1.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.57308E-02 ppm1      8.291 ppm2      1.930 CV     1
 OR {  526}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  531}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      4.200     2.200     1.800 peak   531 spectrum    1 weight  0.10000E+01 volume  0.40182E-03 ppm1      8.288 ppm2      4.023 CV     1
 OR {  531}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  534}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.900     0.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.35208E-02 ppm1      8.292 ppm2      4.332 CV     1
 OR {  534}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  539}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.200     0.600     0.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.83541E-02 ppm1      8.262 ppm2      8.434 CV     1
 OR {  539}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  542}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.48082E-02 ppm1      8.262 ppm2      4.190 CV     1
 OR {  542}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  548}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.600     0.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.76654E-02 ppm1      8.262 ppm2      2.241 CV     1
 OR {  548}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  555}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.300     1.300     1.300 peak   555 spectrum    1 weight  0.10000E+01 volume  0.22493E-02 ppm1      8.259 ppm2      1.027 CV     1
 OR {  555}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 ASSI {  558}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.400     1.400     1.400 peak   558 spectrum    1 weight  0.10000E+01 volume  0.23929E-02 ppm1      8.231 ppm2      0.990 CV     1
 OR {  558}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  558}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  559}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.500     1.500 peak   559 spectrum    1 weight  0.10000E+01 volume  0.82569E-03 ppm1      8.231 ppm2      0.905 CV     1
 OR {  559}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 OR {  559}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  564}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.92312E-03 ppm1      8.231 ppm2      4.280 CV     1
 OR {  564}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  567}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.43205E-02 ppm1      8.005 ppm2      8.543 CV     1
 OR {  567}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  574}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.400     1.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.14231E-02 ppm1      8.006 ppm2      3.929 CV     1
 OR {  574}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  575}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      4.100     2.100     1.900 peak   575 spectrum    1 weight  0.10000E+01 volume  0.52750E-03 ppm1      8.007 ppm2      2.342 CV     1
 OR {  575}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  575}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  581}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      4.700     2.700     1.300 peak   581 spectrum    1 weight  0.10000E+01 volume  0.55883E-03 ppm1      7.717 ppm2      1.087 CV     1
 OR {  581}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  583}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      5.000     3.100     1.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.28618E-03 ppm1      7.715 ppm2      0.837 CV     1
 OR {  583}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  586}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.40166E-02 ppm1      7.716 ppm2      2.025 CV     1
 OR {  586}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  586}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  587}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak   587 spectrum    1 weight  0.10000E+01 volume  0.11484E-02 ppm1      7.716 ppm2      1.925 CV     1
 OR {  587}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 OR {  587}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  600}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.34986E-02 ppm1      8.285 ppm2      3.957 CV     1
 OR {  600}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  602}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.100     2.100     1.900 peak   602 spectrum    1 weight  0.10000E+01 volume  0.82446E-03 ppm1      8.287 ppm2      4.344 CV     1
 OR {  602}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  602}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  612}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      3.900     1.900     1.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.59885E-03 ppm1      7.920 ppm2      0.992 CV     1
 OR {  612}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  612}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {  629}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.800     1.800     1.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.83557E-03 ppm1      7.685 ppm2      7.865 CV     1
 OR {  629}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  630}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.500     1.500 peak   630 spectrum    1 weight  0.10000E+01 volume  0.11096E-02 ppm1      7.690 ppm2      4.350 CV     1
 OR {  630}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  633}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.500     1.500     1.500 peak   633 spectrum    1 weight  0.10000E+01 volume  0.13860E-02 ppm1      7.689 ppm2      2.216 CV     1
 OR {  633}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  635}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak   635 spectrum    1 weight  0.10000E+01 volume  0.12788E-02 ppm1      7.688 ppm2      1.810 CV     1
 OR {  635}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  642}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.000     1.200     1.200 peak   642 spectrum    1 weight  0.10000E+01 volume  0.51593E-02 ppm1      7.600 ppm2      1.650 CV     1
 OR {  642}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  644}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak   644 spectrum    1 weight  0.10000E+01 volume  0.23228E-02 ppm1      7.599 ppm2      3.378 CV     1
 OR {  644}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  645}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.77040E-03 ppm1      7.600 ppm2      3.067 CV     1
 OR {  645}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
 OR {  645}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  649}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     0.500     0.500 peak   649 spectrum    1 weight  0.10000E+01 volume  0.67832E-02 ppm1      7.600 ppm2      8.017 CV     1
 OR {  649}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  670}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.700     1.700     1.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.65368E-03 ppm1      8.987 ppm2      4.241 CV     1
 OR {  670}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  675}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.400     1.400     1.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.71618E-03 ppm1      8.984 ppm2      3.054 CV     1
 OR {  675}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI {  679}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.43048E-02 ppm1      8.983 ppm2      1.632 CV     1
 OR {  679}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 OR {  679}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  684}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     1.800     1.800 peak   684 spectrum    1 weight  0.10000E+01 volume  0.44507E-03 ppm1      8.980 ppm2      1.024 CV     1
 OR {  684}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  684}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  685}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.000     2.000     2.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      8.982 ppm2      1.084 CV     1
 OR {  685}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 OR {  685}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  688}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.100     1.200     1.200 peak   688 spectrum    1 weight  0.10000E+01 volume  0.11551E-02 ppm1      8.900 ppm2      0.809 CV     1
 OR {  688}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  704}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      4.000     2.000     2.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.64684E-03 ppm1      8.900 ppm2      7.941 CV     1
 OR {  704}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  705}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HD22))
      3.500     1.500     1.500 peak   705 spectrum    1 weight  0.10000E+01 volume  0.14192E-02 ppm1      8.898 ppm2      7.670 CV     1
 OR {  705}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI {  722}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak   722 spectrum    1 weight  0.10000E+01 volume  0.18359E-02 ppm1      8.429 ppm2      4.238 CV     1
 OR {  722}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  730}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.400     1.400     1.400 peak   730 spectrum    1 weight  0.10000E+01 volume  0.27273E-02 ppm1      8.430 ppm2      1.647 CV     1
 OR {  730}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
 ASSI {  731}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.200     2.200     1.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.10895E-02 ppm1      8.429 ppm2      0.814 CV     1
 OR {  731}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 OR {  731}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  733}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.300     2.400     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.11953E-02 ppm1      8.426 ppm2      0.926 CV     1
 OR {  733}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  739}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.900     1.900     1.900 peak   739 spectrum    1 weight  0.10000E+01 volume  0.73377E-03 ppm1      7.865 ppm2      4.463 CV     1
 OR {  739}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  741}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.000     1.100     1.100 peak   741 spectrum    1 weight  0.10000E+01 volume  0.32449E-02 ppm1      7.863 ppm2      4.294 CV     1
 OR {  741}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  745}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.800     2.900     1.200 peak   745 spectrum    1 weight  0.10000E+01 volume  0.30422E-03 ppm1      9.630 ppm2      4.677 CV     1
 OR {  745}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  746}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.23096E-02 ppm1      9.626 ppm2      4.348 CV     1
 OR {  746}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  747}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.22487E-02 ppm1      9.629 ppm2      7.688 CV     1
 OR {  747}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  752}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.45294E-02 ppm1      9.629 ppm2      2.213 CV     1
 OR {  752}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  756}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.600     1.600     1.600 peak   756 spectrum    1 weight  0.10000E+01 volume  0.25028E-02 ppm1      8.434 ppm2      0.946 CV     1
 OR {  756}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  760}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.400     0.700     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.48492E-02 ppm1      8.434 ppm2      1.806 CV     1
 OR {  760}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {  768}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      4.600     2.700     1.400 peak   768 spectrum    1 weight  0.10000E+01 volume  0.53548E-03 ppm1      8.434 ppm2      7.247 CV     1
 OR {  768}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
 ASSI {  769}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak   769 spectrum    1 weight  0.10000E+01 volume  0.83145E-03 ppm1      8.435 ppm2      7.692 CV     1
 OR {  769}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  777}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.900     1.100     1.100 peak   777 spectrum    1 weight  0.10000E+01 volume  0.27840E-02 ppm1      8.407 ppm2      2.746 CV     1
 OR {  777}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  777}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  782}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      3.700     1.700     1.700 peak   782 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      7.761 ppm2      1.000 CV     1
 OR {  782}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 OR {  782}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  782}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  782}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
 OR {  782}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  782}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 ASSI {  783}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.800     1.800     1.800 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11056E-02 ppm1      7.759 ppm2      2.033 CV     1
 OR {  783}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  789}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG2 ))
      2.800     1.000     1.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.34145E-02 ppm1      7.779 ppm2      2.466 CV     1
 OR {  789}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  791}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.31648E-02 ppm1      7.767 ppm2      2.306 CV     1
 OR {  791}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {  794}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.38588E-02 ppm1      7.778 ppm2      4.232 CV     1
 OR {  794}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  799}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.200     0.600     0.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.76782E-02 ppm1      7.759 ppm2      7.917 CV     1
 OR {  799}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  801}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.87322E-03 ppm1      7.761 ppm2      9.170 CV     1
 OR {  801}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  808}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.600     1.600     1.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.98289E-03 ppm1      8.831 ppm2      0.816 CV     1
 OR {  808}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  809}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak   809 spectrum    1 weight  0.10000E+01 volume  0.41498E-02 ppm1      8.829 ppm2      1.372 CV     1
 OR {  809}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {  841}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   841 spectrum    1 weight  0.10000E+01 volume  0.82878E-02 ppm1      8.088 ppm2      2.026 CV     1
 OR {  841}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  841}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  850}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.300     2.300     1.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.52328E-03 ppm1      8.086 ppm2      1.115 CV     1
 OR {  850}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  851}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.400     0.700     0.700 peak   851 spectrum    1 weight  0.10000E+01 volume  0.49014E-02 ppm1      7.696 ppm2      7.864 CV     1
 OR {  851}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
 ASSI {  852}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.39436E-02 ppm1      7.696 ppm2      4.388 CV     1
 OR {  852}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  862}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.400     1.700 peak   862 spectrum    1 weight  0.10000E+01 volume  0.46141E-03 ppm1      9.183 ppm2      0.814 CV     1
 OR {  862}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  875}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak   875 spectrum    1 weight  0.10000E+01 volume  0.94292E-03 ppm1      8.962 ppm2      8.251 CV     1
 OR {  875}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  881}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      4.700     2.800     1.300 peak   881 spectrum    1 weight  0.10000E+01 volume  0.49142E-03 ppm1      8.962 ppm2      1.799 CV     1
 OR {  881}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 OR {  881}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
 ASSI {  882}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name H31%)
      5.100     3.300     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.43184E-03 ppm1      8.960 ppm2      1.031 CV     1
 OR {  882}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 43   and name HD1%)
 OR {  882}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {  894}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.600     0.900     0.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.34014E-02 ppm1      7.795 ppm2      8.263 CV     1
 OR {  894}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  896}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak   896 spectrum    1 weight  0.10000E+01 volume  0.11934E-02 ppm1      7.793 ppm2      4.347 CV     1
 OR {  896}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  900}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.800     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.83886E-03 ppm1      7.797 ppm2      3.929 CV     1
 OR {  900}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  902}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.300     3.300     2.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.52272E-03 ppm1      7.793 ppm2      2.373 CV     1
 OR {  902}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HG1 ))
 OR {  902}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI {  912}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.50256E-02 ppm1      8.101 ppm2      4.333 CV     1
 OR {  912}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  925}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.24377E-02 ppm1      8.018 ppm2      4.100 CV     1
 OR {  925}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  925}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 ASSI {  931}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.66268E-03 ppm1      8.018 ppm2      0.982 CV     1
 OR {  931}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  931}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  932}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.000     2.000     2.000 peak   932 spectrum    1 weight  0.10000E+01 volume  0.86293E-03 ppm1      8.019 ppm2      0.908 CV     1
 OR {  932}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  933}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.600     0.800     0.800 peak   933 spectrum    1 weight  0.10000E+01 volume  0.50621E-02 ppm1      7.250 ppm2      0.914 CV     1
 OR {  933}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  952}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.700     1.700     1.700 peak   952 spectrum    1 weight  0.10000E+01 volume  0.54540E-03 ppm1      8.014 ppm2      3.376 CV     1
 OR {  952}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  979}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.300     1.300     1.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.12252E-02 ppm1      8.275 ppm2      4.273 CV     1
 OR {  979}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  984}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.100     2.100     1.900 peak   984 spectrum    1 weight  0.10000E+01 volume  0.12000E-02 ppm1      8.274 ppm2      1.615 CV     1
 OR {  984}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  986}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.900     1.900     1.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.56207E-03 ppm1      8.276 ppm2      0.991 CV     1
 OR {  986}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  986}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR {  986}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  987}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak   987 spectrum    1 weight  0.10000E+01 volume  0.52910E-03 ppm1      8.278 ppm2      0.912 CV     1
 OR {  987}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 OR {  987}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI {  990}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.000     2.000     2.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.72919E-03 ppm1      7.970 ppm2      0.915 CV     1
 OR {  990}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1033}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      3.200     1.300     1.300 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.46748E-03 ppm1      9.053 ppm2      0.819 CV     1
 OR { 1033}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 1039}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
      3.200     1.300     1.300 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.48339E-03 ppm1      7.662 ppm2      0.980 CV     1
 OR { 1039}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1039}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 82   and name HD1%)
 OR { 1039}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 1045}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      4.100     2.100     1.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.10200E-02 ppm1      7.659 ppm2      1.476 CV     1
 OR { 1045}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
 ASSI { 1056}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      4.300     2.300     1.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.15414E-02 ppm1      7.487 ppm2      1.473 CV     1
 OR { 1056}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 1061}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.21056E-02 ppm1      7.408 ppm2      1.085 CV     1
 OR { 1061}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
 OR { 1061}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1068}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.900     1.000     1.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.24581E-02 ppm1      7.407 ppm2      2.308 CV     1
 OR { 1068}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 1070}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.800     2.900     1.200 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.32106E-03 ppm1      7.404 ppm2      4.239 CV     1
 OR { 1070}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 1070}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1097}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.300     1.400     1.400 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.11864E-02 ppm1      7.861 ppm2      4.395 CV     1
 OR { 1097}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1103}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.50341E-02 ppm1      7.860 ppm2      7.692 CV     1
 OR { 1103}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1106}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      4.200     2.200     1.800 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.45016E-03 ppm1      8.197 ppm2      4.624 CV     1
 OR { 1106}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 1109}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.000     2.000     2.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.66001E-03 ppm1      8.194 ppm2      0.985 CV     1
 OR { 1109}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 1109}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI {    9}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H6A ))
      3.400     1.500     1.500 peak     9 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      0.986 ppm2      1.164 CV     1
 OR {    9}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H6B ))
 OR {    9}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H4A ))
 OR {    9}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H5B ))
 OR {    9}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H5A ))
 OR {    9}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H4B ))
 OR {    9}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H4B ))
 OR {    9}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H4A ))
 OR {    9}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H5B ))
 OR {    9}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 42   and name H4A ))
 OR {    9}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H5A ))
 OR {    9}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 42   and name H4B ))
 ASSI {   14}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H3B ))
      4.800     2.900     1.200 peak    14 spectrum    1 weight  0.10000E+01 volume  0.61891E-03 ppm1      0.986 ppm2      1.511 CV     1
 OR {   14}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H3A ))
 OR {   14}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H3A ))
 OR {   14}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H3B ))
 ASSI {   16}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H6A ))
      4.400     2.400     1.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.16488E-02 ppm1      3.933 ppm2      1.163 CV     1
 OR {   16}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H6B ))
 OR {   16}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H5B ))
 OR {   16}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H5A ))
 OR {   16}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H4A ))
 OR {   16}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 42   and name H4B ))
 OR {   16}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 42   and name H6B ))
 OR {   16}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 42   and name H6A ))
 ASSI {   22}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H30%)
      3.600     1.700     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.24328E-02 ppm1      8.267 ppm2      1.009 CV     1
 OR {   22}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   31}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
      3.000     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.27179E-02 ppm1      4.271 ppm2      1.009 CV     1
 OR {   31}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   56}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 42   and name H8% )
      3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.19711E-02 ppm1      7.017 ppm2      0.840 CV     1
 OR {   56}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 42   and name H8% )
 ASSI {   61}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 42   and name H8% )
      3.300     1.300     1.300 peak    61 spectrum    1 weight  0.10000E+01 volume  0.17351E-02 ppm1      3.929 ppm2      0.838 CV     1
 OR {   61}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 42   and name H8% )
 ASSI {   77}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H2A ))
      5.100     3.300     0.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.44689E-03 ppm1      1.002 ppm2      2.508 CV     1
 OR {   77}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 42   and name H2B ))
 OR {   77}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H2B ))
 OR {   77}
   (  segid "    " and resid 42   and name H30%)
   (( segid "    " and resid 42   and name H2A ))
 OR {   77}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 42   and name H2A ))
 OR {   77}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 42   and name H2B ))
assign (resid      3 and name C  ) (resid      4 and name N )
       (resid      4 and name CA ) (resid      4 and name C)     6.6      1.0

assign (resid      4 and name C  ) (resid      5 and name N )
       (resid      5 and name CA ) (resid      5 and name C)     7.5      1.1

assign (resid      5 and name C  ) (resid      6 and name N )
       (resid      6 and name CA ) (resid      6 and name C)     9.3      1.2

assign (resid      6 and name C  ) (resid      7 and name N )
       (resid      7 and name CA ) (resid      7 and name C)     3.0      0.5

assign (resid      8 and name C  ) (resid      9 and name N )
       (resid      9 and name CA ) (resid      9 and name C)     4.6      0.8

assign (resid     10 and name C  ) (resid     11 and name N )
       (resid     11 and name CA ) (resid     11 and name C)     3.1      0.5

assign (resid     12 and name C  ) (resid     13 and name N )
       (resid     13 and name CA ) (resid     13 and name C)     4.8      0.8

assign (resid     16 and name C  ) (resid     17 and name N )
       (resid     17 and name CA ) (resid     17 and name C)     7.0      1.0

assign (resid     30 and name C  ) (resid     31 and name N )
       (resid     31 and name CA ) (resid     31 and name C)     2.3      0.4

assign (resid     31 and name C  ) (resid     32 and name N )
       (resid     32 and name CA ) (resid     32 and name C)     8.9      1.2

assign (resid     32 and name C  ) (resid     33 and name N )
       (resid     33 and name CA ) (resid     33 and name C)     7.4      1.1

assign (resid     33 and name C  ) (resid     34 and name N )
       (resid     34 and name CA ) (resid     34 and name C)     5.5      0.9

assign (resid     34 and name C  ) (resid     35 and name N )
       (resid     35 and name CA ) (resid     35 and name C)     2.7      0.5

assign (resid     35 and name C  ) (resid     36 and name N )
       (resid     36 and name CA ) (resid     36 and name C)     3.4      0.6

assign (resid     36 and name C  ) (resid     37 and name N )
       (resid     37 and name CA ) (resid     37 and name C)     7.9      1.1

assign (resid     37 and name C  ) (resid     38 and name N )
       (resid     38 and name CA ) (resid     38 and name C)     8.0      1.1

assign (resid     41 and name C  ) (resid     42 and name N )
       (resid     42 and name CA ) (resid     42 and name C)     2.6      0.5

assign (resid     43 and name C  ) (resid     44 and name N )
       (resid     44 and name CA ) (resid     44 and name C)     4.5      0.7

assign (resid     46 and name C  ) (resid     47 and name N )
       (resid     47 and name CA ) (resid     47 and name C)     4.5      0.7

assign (resid     47 and name C  ) (resid     48 and name N )
       (resid     48 and name CA ) (resid     48 and name C)     4.1      0.7

assign (resid     48 and name C  ) (resid     49 and name N )
       (resid     49 and name CA ) (resid     49 and name C)     3.4      0.6

assign (resid     49 and name C  ) (resid     50 and name N )
       (resid     50 and name CA ) (resid     50 and name C)     3.7      0.6

assign (resid     52 and name C  ) (resid     53 and name N )
       (resid     53 and name CA ) (resid     53 and name C)     4.0      0.7

assign (resid     53 and name C  ) (resid     54 and name N )
       (resid     54 and name CA ) (resid     54 and name C)     4.6      0.8

assign (resid     55 and name C  ) (resid     56 and name N )
       (resid     56 and name CA ) (resid     56 and name C)     8.5      1.2

assign (resid     57 and name C  ) (resid     58 and name N )
       (resid     58 and name CA ) (resid     58 and name C)     9.2      1.2

assign (resid     59 and name C  ) (resid     60 and name N )
       (resid     60 and name CA ) (resid     60 and name C)     8.4      1.2

assign (resid     61 and name C  ) (resid     62 and name N )
       (resid     62 and name CA ) (resid     62 and name C)     4.1      0.7

assign (resid     62 and name C  ) (resid     63 and name N )
       (resid     63 and name CA ) (resid     63 and name C)     7.1      1.1

assign (resid     63 and name C  ) (resid     64 and name N )
       (resid     64 and name CA ) (resid     64 and name C)     5.9      0.9

assign (resid     64 and name C  ) (resid     65 and name N )
       (resid     65 and name CA ) (resid     65 and name C)     4.1      0.7

assign (resid     66 and name C  ) (resid     67 and name N )
       (resid     67 and name CA ) (resid     67 and name C)     8.6      1.2

assign (resid     67 and name C  ) (resid     68 and name N )
       (resid     68 and name CA ) (resid     68 and name C)     8.3      1.1

assign (resid     68 and name C  ) (resid     69 and name N )
       (resid     69 and name CA ) (resid     69 and name C)     8.7      1.2

assign (resid     69 and name C  ) (resid     70 and name N )
       (resid     70 and name CA ) (resid     70 and name C)     9.2      1.2

assign (resid     71 and name C  ) (resid     72 and name N )
       (resid     72 and name CA ) (resid     72 and name C)     2.7      0.5

assign (resid     72 and name C  ) (resid     73 and name N )
       (resid     73 and name CA ) (resid     73 and name C)     4.9      0.8

assign (resid     74 and name C  ) (resid     75 and name N )
       (resid     75 and name CA ) (resid     75 and name C)     3.6      0.6

assign (resid     76 and name C  ) (resid     77 and name N )
       (resid     77 and name CA ) (resid     77 and name C)     4.7      0.8

assign (resid     80 and name C  ) (resid     81 and name N )
       (resid     81 and name CA ) (resid     81 and name C)     5.9      0.9

assign (resid     82 and name C  ) (resid     83 and name N )
       (resid     83 and name CA ) (resid     83 and name C)     4.7      0.8
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/simon/structure_calcs/octanoyl/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

! Talos derived phi restraint:
assign (resid   2 and name C)
       (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       1.0 -118  44 2

! Talos derived phi restraint:
assign (resid   4 and name C)
       (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       1.0 -81  48 2

! Talos derived phi restraint:
assign (resid   5 and name C)
       (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       1.0 -99  40 2

! Talos derived phi restraint:
assign (resid   6 and name C)
       (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid   7 and name C)
       (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid   8 and name C)
       (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid   9 and name C)
       (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  10 and name C)
       (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  11 and name C)
       (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       1.0 -60  20 2

! Talos derived phi restraint:
assign (resid  12 and name C)
       (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  13 and name C)
       (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  14 and name C)
       (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  15 and name C)
       (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  16 and name C)
       (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       1.0 -73  30 2

! Talos derived phi restraint:
assign (resid  30 and name C)
       (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       1.0 -65  24 2

! Talos derived phi restraint:
assign (resid  31 and name C)
       (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       1.0 -93  42 2

! Talos derived phi restraint:
assign (resid  33 and name C)
       (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       1.0 -91  54 2

! Talos derived phi restraint:
assign (resid  34 and name C)
       (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  36 and name C)
       (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       1.0 -73  20 2

! Talos derived phi restraint:
assign (resid  37 and name C)
       (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       1.0 -88  22 2

! Talos derived phi restraint:
assign (resid  38 and name C)
       (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       1.0  83  26 2

! Talos derived phi restraint:
assign (resid  39 and name C)
       (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       1.0 -106  52 2

! Talos derived phi restraint:
assign (resid  42 and name C)
       (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  43 and name C)
       (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  44 and name C)
       (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       1.0 -65  20 2

! Talos derived phi restraint:
assign (resid  45 and name C)
       (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  46 and name C)
       (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       1.0 -68  20 2

! Talos derived phi restraint:
assign (resid  47 and name C)
       (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  48 and name C)
       (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  49 and name C)
       (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  50 and name C)
       (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  51 and name C)
       (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       1.0 -63  20 2

! Talos derived phi restraint:
assign (resid  52 and name C)
       (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       1.0 -67  20 2

! Talos derived phi restraint:
assign (resid  53 and name C)
       (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  54 and name C)
       (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       1.0 -72  20 2

! Talos derived phi restraint:
assign (resid  55 and name C)
       (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       1.0 -96  20 2

! Talos derived phi restraint:
assign (resid  56 and name C)
       (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       1.0  68  22 2

! Talos derived phi restraint:
assign (resid  57 and name C)
       (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       1.0 -117  62 2

! Talos derived phi restraint:
assign (resid  59 and name C)
       (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       1.0 -98  42 2

! Talos derived phi restraint:
assign (resid  60 and name C)
       (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  61 and name C)
       (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       1.0 -58  22 2

! Talos derived phi restraint:
assign (resid  62 and name C)
       (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       1.0 -74  34 2

! Talos derived phi restraint:
assign (resid  63 and name C)
       (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       1.0 -68  32 2

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -68  22 2

! Talos derived phi restraint:
assign (resid  67 and name C)
       (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       1.0 -110  52 2

! Talos derived phi restraint:
assign (resid  69 and name C)
       (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       1.0 -113  50 2

! Talos derived phi restraint:
assign (resid  70 and name C)
       (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  73 and name C)
       (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  74 and name C)
       (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       1.0 -62  20 2

! Talos derived phi restraint:
assign (resid  75 and name C)
       (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  77 and name C)
       (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       1.0 -64  20 2

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -61  20 2

! Talos derived phi restraint:
assign (resid  79 and name C)
       (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       1.0 -70  20 2

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -66  28 2

! Talos derived phi restraint:
assign (resid  81 and name C)
       (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       1.0 -66  20 2

! Talos derived phi restraint:
assign (resid  82 and name C)
       (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       1.0 -76  30 2

! Talos derived psi restraint:
assign (resid   3 and name N)
       (resid   3 and name CA)
       (resid   3 and name C)
       (resid   4 and name N)
       1.0 129  22 2

! Talos derived psi restraint:
assign (resid   5 and name N)
       (resid   5 and name CA)
       (resid   5 and name C)
       (resid   6 and name N)
       1.0 144  20 2

! Talos derived psi restraint:
assign (resid   6 and name N)
       (resid   6 and name CA)
       (resid   6 and name C)
       (resid   7 and name N)
       1.0 171  20 2

! Talos derived psi restraint:
assign (resid   7 and name N)
       (resid   7 and name CA)
       (resid   7 and name C)
       (resid   8 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid   8 and name N)
       (resid   8 and name CA)
       (resid   8 and name C)
       (resid   9 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid   9 and name N)
       (resid   9 and name CA)
       (resid   9 and name C)
       (resid  10 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  10 and name N)
       (resid  10 and name CA)
       (resid  10 and name C)
       (resid  11 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  11 and name N)
       (resid  11 and name CA)
       (resid  11 and name C)
       (resid  12 and name N)
       1.0 -46  20 2

! Talos derived psi restraint:
assign (resid  12 and name N)
       (resid  12 and name CA)
       (resid  12 and name C)
       (resid  13 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  13 and name N)
       (resid  13 and name CA)
       (resid  13 and name C)
       (resid  14 and name N)
       1.0 -45  20 2

! Talos derived psi restraint:
assign (resid  14 and name N)
       (resid  14 and name CA)
       (resid  14 and name C)
       (resid  15 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid  15 and name N)
       (resid  15 and name CA)
       (resid  15 and name C)
       (resid  16 and name N)
       1.0 -37  22 2

! Talos derived psi restraint:
assign (resid  16 and name N)
       (resid  16 and name CA)
       (resid  16 and name C)
       (resid  17 and name N)
       1.0 -28  20 2

! Talos derived psi restraint:
assign (resid  17 and name N)
       (resid  17 and name CA)
       (resid  17 and name C)
       (resid  18 and name N)
       1.0 -33  30 2

! Talos derived psi restraint:
assign (resid  31 and name N)
       (resid  31 and name CA)
       (resid  31 and name C)
       (resid  32 and name N)
       1.0 -29  20 2

! Talos derived psi restraint:
assign (resid  32 and name N)
       (resid  32 and name CA)
       (resid  32 and name C)
       (resid  33 and name N)
       1.0 -13  56 2

! Talos derived psi restraint:
assign (resid  34 and name N)
       (resid  34 and name CA)
       (resid  34 and name C)
       (resid  35 and name N)
       1.0 149  36 2

! Talos derived psi restraint:
assign (resid  35 and name N)
       (resid  35 and name CA)
       (resid  35 and name C)
       (resid  36 and name N)
       1.0 -33  20 2

! Talos derived psi restraint:
assign (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       (resid  37 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  37 and name N)
       (resid  37 and name CA)
       (resid  37 and name C)
       (resid  38 and name N)
       1.0 -30  24 2

! Talos derived psi restraint:
assign (resid  38 and name N)
       (resid  38 and name CA)
       (resid  38 and name C)
       (resid  39 and name N)
       1.0  -3  36 2

! Talos derived psi restraint:
assign (resid  39 and name N)
       (resid  39 and name CA)
       (resid  39 and name C)
       (resid  40 and name N)
       1.0  15  34 2

! Talos derived psi restraint:
assign (resid  40 and name N)
       (resid  40 and name CA)
       (resid  40 and name C)
       (resid  41 and name N)
       1.0 134  36 2

! Talos derived psi restraint:
assign (resid  43 and name N)
       (resid  43 and name CA)
       (resid  43 and name C)
       (resid  44 and name N)
       1.0 -37  20 2

! Talos derived psi restraint:
assign (resid  44 and name N)
       (resid  44 and name CA)
       (resid  44 and name C)
       (resid  45 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  45 and name N)
       (resid  45 and name CA)
       (resid  45 and name C)
       (resid  46 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  46 and name N)
       (resid  46 and name CA)
       (resid  46 and name C)
       (resid  47 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  47 and name N)
       (resid  47 and name CA)
       (resid  47 and name C)
       (resid  48 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  48 and name N)
       (resid  48 and name CA)
       (resid  48 and name C)
       (resid  49 and name N)
       1.0 -40  20 2

! Talos derived psi restraint:
assign (resid  49 and name N)
       (resid  49 and name CA)
       (resid  49 and name C)
       (resid  50 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  50 and name N)
       (resid  50 and name CA)
       (resid  50 and name C)
       (resid  51 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  52 and name N)
       (resid  52 and name CA)
       (resid  52 and name C)
       (resid  53 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  53 and name N)
       (resid  53 and name CA)
       (resid  53 and name C)
       (resid  54 and name N)
       1.0 -43  20 2

! Talos derived psi restraint:
assign (resid  54 and name N)
       (resid  54 and name CA)
       (resid  54 and name C)
       (resid  55 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  55 and name N)
       (resid  55 and name CA)
       (resid  55 and name C)
       (resid  56 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid  56 and name N)
       (resid  56 and name CA)
       (resid  56 and name C)
       (resid  57 and name N)
       1.0  -1  20 2

! Talos derived psi restraint:
assign (resid  57 and name N)
       (resid  57 and name CA)
       (resid  57 and name C)
       (resid  58 and name N)
       1.0  30  36 2

! Talos derived psi restraint:
assign (resid  58 and name N)
       (resid  58 and name CA)
       (resid  58 and name C)
       (resid  59 and name N)
       1.0 152  38 2

! Talos derived psi restraint:
assign (resid  60 and name N)
       (resid  60 and name CA)
       (resid  60 and name C)
       (resid  61 and name N)
       1.0 136  36 2

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 143  24 2

! Talos derived psi restraint:
assign (resid  62 and name N)
       (resid  62 and name CA)
       (resid  62 and name C)
       (resid  63 and name N)
       1.0 -36  38 2

! Talos derived psi restraint:
assign (resid  63 and name N)
       (resid  63 and name CA)
       (resid  63 and name C)
       (resid  64 and name N)
       1.0 -35  36 2

! Talos derived psi restraint:
assign (resid  64 and name N)
       (resid  64 and name CA)
       (resid  64 and name C)
       (resid  65 and name N)
       1.0 -34  58 2

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -28  26 2

! Talos derived psi restraint:
assign (resid  68 and name N)
       (resid  68 and name CA)
       (resid  68 and name C)
       (resid  69 and name N)
       1.0 143  36 2

! Talos derived psi restraint:
assign (resid  70 and name N)
       (resid  70 and name CA)
       (resid  70 and name C)
       (resid  71 and name N)
       1.0 153  24 2

! Talos derived psi restraint:
assign (resid  71 and name N)
       (resid  71 and name CA)
       (resid  71 and name C)
       (resid  72 and name N)
       1.0 -34  20 2

! Talos derived psi restraint:
assign (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       (resid  73 and name N)
       1.0 -44  20 2

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -39  20 2

! Talos derived psi restraint:
assign (resid  74 and name N)
       (resid  74 and name CA)
       (resid  74 and name C)
       (resid  75 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  75 and name N)
       (resid  75 and name CA)
       (resid  75 and name C)
       (resid  76 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  76 and name N)
       (resid  76 and name CA)
       (resid  76 and name C)
       (resid  77 and name N)
       1.0 -38  20 2

! Talos derived psi restraint:
assign (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       (resid  78 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  78 and name N)
       (resid  78 and name CA)
       (resid  78 and name C)
       (resid  79 and name N)
       1.0 -42  20 2

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -36  20 2

! Talos derived psi restraint:
assign (resid  80 and name N)
       (resid  80 and name CA)
       (resid  80 and name C)
       (resid  81 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -41  20 2

! Talos derived psi restraint:
assign (resid  82 and name N)
       (resid  82 and name CA)
       (resid  82 and name C)
       (resid  83 and name N)
       1.0 -32  46 2

! Talos derived psi restraint:
assign (resid  83 and name N)
       (resid  83 and name CA)
       (resid  83 and name C)
       (resid  84 and name N)
       1.0 -18  54 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -19.993  11.032   2.345
    2    H2   MET   1           HT2      MET   1 -19.451   9.844   1.266
    3    H3   MET   1           HT3      MET   1 -20.089  11.294   0.670
    4    HA   MET   1           HA       MET   1 -17.733  11.352   0.466
    5    HB2  MET   1           HB2      MET   1 -18.786  13.097   2.701
    6    HB3  MET   1           HB1      MET   1 -17.226  13.336   1.932
    7    HG2  MET   1           HG2      MET   1 -18.757  14.871   0.971
    8    HG3  MET   1           HG1      MET   1 -18.408  13.634  -0.235
    9    HE1  MET   1           HE1      MET   1 -20.825  15.660  -0.479
   10    HE2  MET   1           HE2      MET   1 -22.132  14.596  -0.996
   11    HE3  MET   1           HE3      MET   1 -20.514  14.401  -1.674
   12    H    ALA   2           HN       ALA   2 -15.829  10.553   1.106
   13    HA   ALA   2           HA       ALA   2 -15.276  10.108   3.921
   14    HB1  ALA   2           HB1      ALA   2 -15.233   7.803   1.972
   15    HB2  ALA   2           HB2      ALA   2 -16.408   8.035   3.267
   16    HB3  ALA   2           HB3      ALA   2 -14.711   7.755   3.656
   17    H    THR   3           HN       THR   3 -12.991   9.393   4.240
   18    HA   THR   3           HA       THR   3 -11.279  10.913   2.491
   19    HB   THR   3           HB       THR   3 -10.485   9.247   4.854
   20    HG1  THR   3           HG1      THR   3 -11.943  11.578   4.710
   21   HG21  THR   3          HG21      THR   3  -8.618  10.023   3.472
   22   HG22  THR   3          HG22      THR   3  -8.632  10.846   5.032
   23   HG23  THR   3          HG23      THR   3  -9.218  11.680   3.592
   24    H    LEU   4           HN       LEU   4 -10.749   9.976   0.603
   25    HA   LEU   4           HA       LEU   4 -10.436   7.125   0.355
   26    HB2  LEU   4           HB2      LEU   4  -9.939   9.327  -1.647
   27    HB3  LEU   4           HB1      LEU   4  -9.965   7.614  -2.009
   28    HG   LEU   4           HG       LEU   4 -12.318   9.268  -1.081
   29   HD11  LEU   4          HD11      LEU   4 -11.686   7.981  -3.729
   30   HD12  LEU   4          HD12      LEU   4 -11.706   9.710  -3.381
   31   HD13  LEU   4          HD13      LEU   4 -13.204   8.777  -3.313
   32   HD21  LEU   4          HD21      LEU   4 -12.454   7.012  -0.192
   33   HD22  LEU   4          HD22      LEU   4 -12.148   6.343  -1.795
   34   HD23  LEU   4          HD23      LEU   4 -13.634   7.240  -1.481
   35    H    LEU   5           HN       LEU   5  -8.492   6.244  -0.805
   36    HA   LEU   5           HA       LEU   5  -6.083   7.044   0.603
   37    HB2  LEU   5           HB2      LEU   5  -7.093   4.646  -0.102
   38    HB3  LEU   5           HB1      LEU   5  -6.060   4.929  -1.489
   39    HG   LEU   5           HG       LEU   5  -5.148   4.850   1.392
   40   HD11  LEU   5          HD11      LEU   5  -4.101   2.748   0.815
   41   HD12  LEU   5          HD12      LEU   5  -4.718   2.859  -0.832
   42   HD13  LEU   5          HD13      LEU   5  -5.839   2.659   0.516
   43   HD21  LEU   5          HD21      LEU   5  -3.535   5.050  -1.146
   44   HD22  LEU   5          HD22      LEU   5  -2.895   4.905   0.492
   45   HD23  LEU   5          HD23      LEU   5  -3.788   6.350   0.016
   46    H    THR   6           HN       THR   6  -4.573   8.385  -0.270
   47    HA   THR   6           HA       THR   6  -4.793   8.978  -3.145
   48    HB   THR   6           HB       THR   6  -3.695  11.106  -2.687
   49    HG1  THR   6           HG1      THR   6  -3.828  11.015   0.041
   50   HG21  THR   6          HG21      THR   6  -6.117  11.063  -2.457
   51   HG22  THR   6          HG22      THR   6  -5.416  12.158  -1.264
   52   HG23  THR   6          HG23      THR   6  -5.968  10.555  -0.774
   53    H    THR   7           HN       THR   7  -2.611   9.797  -4.097
   54    HA   THR   7           HA       THR   7  -0.738   7.713  -4.132
   55    HB   THR   7           HB       THR   7   0.793   9.538  -5.145
   56    HG1  THR   7           HG1      THR   7  -0.944  11.241  -5.931
   57   HG21  THR   7          HG21      THR   7  -1.874   8.958  -6.437
   58   HG22  THR   7          HG22      THR   7  -0.463   7.895  -6.463
   59   HG23  THR   7          HG23      THR   7  -0.401   9.465  -7.264
   60    H    ASP   8           HN       ASP   8  -0.460  10.948  -2.695
   61    HA   ASP   8           HA       ASP   8   2.053  10.517  -1.510
   62    HB2  ASP   8           HB2      ASP   8   1.075  12.754  -1.954
   63    HB3  ASP   8           HB1      ASP   8  -0.070  12.487  -0.645
   64    H    ASP   9           HN       ASP   9  -1.230  10.098  -0.267
   65    HA   ASP   9           HA       ASP   9  -0.564   9.570   2.415
   66    HB2  ASP   9           HB2      ASP   9  -2.911   9.373   0.764
   67    HB3  ASP   9           HB1      ASP   9  -2.767   7.925   1.754
   68    H    LEU  10           HN       LEU  10  -0.948   7.382  -0.357
   69    HA   LEU  10           HA       LEU  10  -0.299   4.999   0.990
   70    HB2  LEU  10           HB2      LEU  10  -1.311   5.113  -1.272
   71    HB3  LEU  10           HB1      LEU  10   0.206   5.723  -1.901
   72    HG   LEU  10           HG       LEU  10   1.300   3.594  -1.272
   73   HD11  LEU  10          HD11      LEU  10  -0.151   2.934   0.562
   74   HD12  LEU  10          HD12      LEU  10  -0.097   1.674  -0.670
   75   HD13  LEU  10          HD13      LEU  10  -1.501   2.735  -0.556
   76   HD21  LEU  10          HD21      LEU  10  -1.124   3.341  -3.048
   77   HD22  LEU  10          HD22      LEU  10   0.243   2.228  -3.022
   78   HD23  LEU  10          HD23      LEU  10   0.479   3.899  -3.532
   79    H    ARG  11           HN       ARG  11   1.686   7.299  -0.816
   80    HA   ARG  11           HA       ARG  11   4.160   6.060  -0.590
   81    HB2  ARG  11           HB2      ARG  11   3.838   7.958  -2.044
   82    HB3  ARG  11           HB1      ARG  11   3.447   8.995  -0.681
   83    HG2  ARG  11           HG2      ARG  11   5.680   8.978   0.091
   84    HG3  ARG  11           HG1      ARG  11   6.125   7.671  -1.008
   85    HD2  ARG  11           HD2      ARG  11   6.937   9.852  -1.796
   86    HD3  ARG  11           HD1      ARG  11   5.791   9.131  -2.923
   87    HE   ARG  11           HE       ARG  11   4.496  10.901  -1.102
   88   HH11  ARG  11          HH11      ARG  11   6.462  10.820  -3.998
   89   HH12  ARG  11          HH12      ARG  11   5.919  12.366  -4.577
   90   HH21  ARG  11          HH21      ARG  11   3.757  12.926  -1.852
   91   HH22  ARG  11          HH22      ARG  11   4.353  13.557  -3.372
   92    H    ARG  12           HN       ARG  12   2.527   8.245   1.667
   93    HA   ARG  12           HA       ARG  12   4.671   8.381   3.512
   94    HB2  ARG  12           HB2      ARG  12   1.718   8.833   3.973
   95    HB3  ARG  12           HB1      ARG  12   2.991   9.229   5.117
   96    HG2  ARG  12           HG2      ARG  12   2.570  10.452   2.400
   97    HG3  ARG  12           HG1      ARG  12   2.287  11.215   3.965
   98    HD2  ARG  12           HD2      ARG  12   4.955  10.273   2.915
   99    HD3  ARG  12           HD1      ARG  12   4.400  11.946   2.966
  100    HE   ARG  12           HE       ARG  12   4.284  10.809   5.555
  101   HH11  ARG  12          HH11      ARG  12   6.550  12.021   3.190
  102   HH12  ARG  12          HH12      ARG  12   7.770  12.425   4.365
  103   HH21  ARG  12          HH21      ARG  12   5.855  11.354   7.113
  104   HH22  ARG  12          HH22      ARG  12   7.365  12.046   6.603
  105    H    ALA  13           HN       ALA  13   1.839   6.276   3.252
  106    HA   ALA  13           HA       ALA  13   1.994   5.142   5.802
  107    HB1  ALA  13           HB1      ALA  13   0.024   4.988   4.353
  108    HB2  ALA  13           HB2      ALA  13   0.528   3.411   4.960
  109    HB3  ALA  13           HB3      ALA  13   0.899   3.877   3.299
  110    H    LEU  14           HN       LEU  14   3.439   4.078   2.743
  111    HA   LEU  14           HA       LEU  14   4.579   1.693   3.669
  112    HB2  LEU  14           HB2      LEU  14   5.185   3.576   1.444
  113    HB3  LEU  14           HB1      LEU  14   6.384   2.366   1.847
  114    HG   LEU  14           HG       LEU  14   5.009   1.595   0.014
  115   HD11  LEU  14          HD11      LEU  14   5.825  -0.079   1.575
  116   HD12  LEU  14          HD12      LEU  14   4.254  -0.537   0.916
  117   HD13  LEU  14          HD13      LEU  14   4.367   0.110   2.552
  118   HD21  LEU  14          HD21      LEU  14   2.661   1.898   1.879
  119   HD22  LEU  14          HD22      LEU  14   2.622   1.179   0.269
  120   HD23  LEU  14          HD23      LEU  14   2.994   2.893   0.461
  121    H    VAL  15           HN       VAL  15   5.855   4.996   3.639
  122    HA   VAL  15           HA       VAL  15   8.393   4.350   4.734
  123    HB   VAL  15           HB       VAL  15   6.935   7.002   4.820
  124   HG11  VAL  15          HG11      VAL  15   9.150   7.986   5.097
  125   HG12  VAL  15          HG12      VAL  15   9.883   6.383   5.062
  126   HG13  VAL  15          HG13      VAL  15   8.824   6.838   6.397
  127   HG21  VAL  15          HG21      VAL  15   8.215   7.559   2.802
  128   HG22  VAL  15          HG22      VAL  15   7.156   6.174   2.531
  129   HG23  VAL  15          HG23      VAL  15   8.884   5.926   2.779
  130    H    GLU  16           HN       GLU  16   5.393   5.618   6.170
  131    HA   GLU  16           HA       GLU  16   6.319   6.004   8.774
  132    HB2  GLU  16           HB2      GLU  16   3.546   5.250   7.836
  133    HB3  GLU  16           HB1      GLU  16   3.932   5.838   9.447
  134    HG2  GLU  16           HG2      GLU  16   4.657   7.959   8.529
  135    HG3  GLU  16           HG1      GLU  16   4.363   7.369   6.894
  136    H    SER  17           HN       SER  17   5.318   3.075   7.152
  137    HA   SER  17           HA       SER  17   5.115   1.547   9.589
  138    HB2  SER  17           HB2      SER  17   5.221   0.575   6.726
  139    HB3  SER  17           HB1      SER  17   4.668  -0.340   8.129
  140    HG   SER  17           HG       SER  17   3.441   1.832   6.813
  141    H    ALA  18           HN       ALA  18   7.355   1.551   6.809
  142    HA   ALA  18           HA       ALA  18   9.053  -0.383   8.103
  143    HB1  ALA  18           HB1      ALA  18   9.436   1.126   5.520
  144    HB2  ALA  18           HB2      ALA  18   8.691  -0.464   5.695
  145    HB3  ALA  18           HB3      ALA  18  10.399  -0.245   6.072
  146    H    GLY  19           HN       GLY  19   9.668   2.892   6.816
  147    HA2  GLY  19           HA2      GLY  19  10.931   4.568   7.899
  148    HA3  GLY  19           HA1      GLY  19  11.515   3.358   9.034
  149    H    GLU  20           HN       GLU  20  11.770   1.874   6.183
  150    HA   GLU  20           HA       GLU  20  14.576   2.113   5.973
  151    HB2  GLU  20           HB2      GLU  20  12.742   1.174   3.764
  152    HB3  GLU  20           HB1      GLU  20  14.406   0.697   4.060
  153    HG2  GLU  20           HG2      GLU  20  12.025   0.000   5.762
  154    HG3  GLU  20           HG1      GLU  20  12.875  -1.079   4.656
  155    H    THR  21           HN       THR  21  15.539   3.988   5.375
  156    HA   THR  21           HA       THR  21  14.371   5.427   3.082
  157    HB   THR  21           HB       THR  21  15.815   6.855   5.307
  158    HG1  THR  21           HG1      THR  21  13.845   5.597   6.001
  159   HG21  THR  21          HG21      THR  21  14.555   8.783   4.482
  160   HG22  THR  21          HG22      THR  21  13.729   7.760   3.306
  161   HG23  THR  21          HG23      THR  21  15.464   8.039   3.167
  162    H    ASP  22           HN       ASP  22  16.473   3.412   3.162
  163    HA   ASP  22           HA       ASP  22  18.663   5.067   2.113
  164    HB2  ASP  22           HB2      ASP  22  20.253   3.331   2.793
  165    HB3  ASP  22           HB1      ASP  22  19.371   3.949   4.181
  166    H    GLY  23           HN       GLY  23  18.875   4.894  -0.001
  167    HA2  GLY  23           HA2      GLY  23  19.391   3.729  -1.962
  168    HA3  GLY  23           HA1      GLY  23  18.825   2.244  -1.212
  169    H    THR  24           HN       THR  24  16.263   3.072  -0.424
  170    HA   THR  24           HA       THR  24  14.965   3.047  -3.037
  171    HB   THR  24           HB       THR  24  14.296   1.263  -1.565
  172    HG1  THR  24           HG1      THR  24  12.105   1.537  -1.718
  173   HG21  THR  24          HG21      THR  24  13.152   1.697   0.580
  174   HG22  THR  24          HG22      THR  24  13.543   3.410   0.415
  175   HG23  THR  24          HG23      THR  24  14.835   2.223   0.584
  176    H    ASP  25           HN       ASP  25  14.192   4.841  -3.877
  177    HA   ASP  25           HA       ASP  25  13.240   6.941  -2.051
  178    HB2  ASP  25           HB2      ASP  25  14.424   7.186  -4.819
  179    HB3  ASP  25           HB1      ASP  25  13.583   8.505  -4.014
  180    H    LEU  26           HN       LEU  26  11.119   6.959  -1.933
  181    HA   LEU  26           HA       LEU  26   9.495   6.103  -4.189
  182    HB2  LEU  26           HB2      LEU  26   8.803   6.899  -1.364
  183    HB3  LEU  26           HB1      LEU  26   7.581   6.599  -2.582
  184    HG   LEU  26           HG       LEU  26   8.627   4.280  -2.835
  185   HD11  LEU  26          HD11      LEU  26   9.842   5.030  -0.185
  186   HD12  LEU  26          HD12      LEU  26  10.725   4.742  -1.684
  187   HD13  LEU  26          HD13      LEU  26   9.840   3.424  -0.914
  188   HD21  LEU  26          HD21      LEU  26   7.384   3.413  -0.915
  189   HD22  LEU  26          HD22      LEU  26   6.479   4.658  -1.775
  190   HD23  LEU  26          HD23      LEU  26   7.276   5.043  -0.250
  191    H    SER  27           HN       SER  27  11.107   8.710  -3.871
  192    HA   SER  27           HA       SER  27   9.085  10.766  -4.029
  193    HB2  SER  27           HB2      SER  27  12.047  10.985  -4.600
  194    HB3  SER  27           HB1      SER  27  10.934  12.295  -4.207
  195    HG   SER  27           HG       SER  27  12.184  11.605  -2.403
  196    H    GLY  28           HN       GLY  28   9.681   8.473  -6.107
  197    HA2  GLY  28           HA2      GLY  28   9.348  10.248  -8.430
  198    HA3  GLY  28           HA1      GLY  28  10.475   8.901  -8.495
  199    H    ASP  29           HN       ASP  29   9.729   7.137  -9.415
  200    HA   ASP  29           HA       ASP  29   6.819   6.772  -9.558
  201    HB2  ASP  29           HB2      ASP  29   9.024   5.995 -11.459
  202    HB3  ASP  29           HB1      ASP  29   7.425   5.257 -11.544
  203    H    PHE  30           HN       PHE  30   6.119   5.387  -8.139
  204    HA   PHE  30           HA       PHE  30   7.775   3.034  -7.508
  205    HB2  PHE  30           HB2      PHE  30   6.976   3.158  -5.198
  206    HB3  PHE  30           HB1      PHE  30   7.780   4.651  -5.655
  207    HD1  PHE  30           HD2      PHE  30   6.144   6.508  -6.591
  208    HD2  PHE  30           HD1      PHE  30   4.975   3.302  -4.057
  209    HE1  PHE  30           HE2      PHE  30   4.172   7.794  -5.877
  210    HE2  PHE  30           HE1      PHE  30   2.999   4.584  -3.340
  211    HZ   PHE  30           HZ       PHE  30   2.597   6.813  -4.219
  212    H    LEU  31           HN       LEU  31   4.588   4.303  -8.128
  213    HA   LEU  31           HA       LEU  31   3.003   2.163  -7.314
  214    HB2  LEU  31           HB2      LEU  31   2.608   4.157  -9.534
  215    HB3  LEU  31           HB1      LEU  31   1.375   3.014  -9.035
  216    HG   LEU  31           HG       LEU  31   2.565   5.209  -7.337
  217   HD11  LEU  31          HD11      LEU  31  -0.193   4.840  -8.494
  218   HD12  LEU  31          HD12      LEU  31   1.009   6.024  -9.010
  219   HD13  LEU  31          HD13      LEU  31   0.299   6.131  -7.398
  220   HD21  LEU  31          HD21      LEU  31   0.887   4.522  -5.667
  221   HD22  LEU  31          HD22      LEU  31   2.096   3.275  -5.963
  222   HD23  LEU  31          HD23      LEU  31   0.487   3.126  -6.668
  223    H    ASP  32           HN       ASP  32   4.977   2.492 -10.166
  224    HA   ASP  32           HA       ASP  32   3.633   0.278 -11.496
  225    HB2  ASP  32           HB2      ASP  32   5.160   0.786 -13.375
  226    HB3  ASP  32           HB1      ASP  32   4.235   2.194 -12.862
  227    H    LEU  33           HN       LEU  33   6.334   0.806  -9.472
  228    HA   LEU  33           HA       LEU  33   7.701  -1.626 -10.284
  229    HB2  LEU  33           HB2      LEU  33   8.196   0.312  -8.021
  230    HB3  LEU  33           HB1      LEU  33   9.189  -1.095  -8.343
  231    HG   LEU  33           HG       LEU  33   8.816   1.252 -10.205
  232   HD11  LEU  33          HD11      LEU  33  10.142   1.773  -8.209
  233   HD12  LEU  33          HD12      LEU  33  11.133   1.762  -9.665
  234   HD13  LEU  33          HD13      LEU  33  11.191   0.397  -8.551
  235   HD21  LEU  33          HD21      LEU  33  10.597  -1.174 -10.419
  236   HD22  LEU  33          HD22      LEU  33  10.572   0.195 -11.531
  237   HD23  LEU  33          HD23      LEU  33   9.162  -0.856 -11.396
  238    H    ARG  34           HN       ARG  34   7.894  -3.478  -8.934
  239    HA   ARG  34           HA       ARG  34   5.544  -4.067  -7.400
  240    HB2  ARG  34           HB2      ARG  34   8.109  -5.645  -7.648
  241    HB3  ARG  34           HB1      ARG  34   6.586  -6.245  -7.008
  242    HG2  ARG  34           HG2      ARG  34   5.555  -6.156  -9.132
  243    HG3  ARG  34           HG1      ARG  34   6.900  -5.238  -9.819
  244    HD2  ARG  34           HD2      ARG  34   6.981  -8.083  -8.825
  245    HD3  ARG  34           HD1      ARG  34   7.045  -7.554 -10.508
  246    HE   ARG  34           HE       ARG  34   9.136  -6.249  -9.473
  247   HH11  ARG  34          HH11      ARG  34   8.169  -9.610  -9.137
  248   HH12  ARG  34          HH12      ARG  34   9.797 -10.175  -8.914
  249   HH21  ARG  34          HH21      ARG  34  11.244  -6.981  -9.141
  250   HH22  ARG  34          HH22      ARG  34  11.552  -8.684  -8.909
  251    H    PHE  35           HN       PHE  35   5.658  -4.864  -5.148
  252    HA   PHE  35           HA       PHE  35   6.688  -2.967  -3.400
  253    HB2  PHE  35           HB2      PHE  35   6.042  -5.851  -2.761
  254    HB3  PHE  35           HB1      PHE  35   6.142  -4.532  -1.603
  255    HD1  PHE  35           HD2      PHE  35   4.582  -2.470  -2.201
  256    HD2  PHE  35           HD1      PHE  35   3.980  -6.469  -3.522
  257    HE1  PHE  35           HE2      PHE  35   2.200  -1.988  -2.558
  258    HE2  PHE  35           HE1      PHE  35   1.596  -5.989  -3.885
  259    HZ   PHE  35           HZ       PHE  35   0.698  -3.750  -3.403
  260    H    GLU  36           HN       GLU  36   8.014  -6.152  -4.233
  261    HA   GLU  36           HA       GLU  36  10.301  -5.925  -2.606
  262    HB2  GLU  36           HB2      GLU  36  11.219  -7.763  -4.047
  263    HB3  GLU  36           HB1      GLU  36   9.675  -8.095  -3.280
  264    HG2  GLU  36           HG2      GLU  36   8.524  -7.629  -5.373
  265    HG3  GLU  36           HG1      GLU  36  10.068  -7.271  -6.148
  266    H    ASP  37           HN       ASP  37   9.564  -4.496  -5.668
  267    HA   ASP  37           HA       ASP  37  12.315  -4.150  -6.468
  268    HB2  ASP  37           HB2      ASP  37   9.752  -2.941  -7.524
  269    HB3  ASP  37           HB1      ASP  37  11.338  -2.563  -8.181
  270    H    ILE  38           HN       ILE  38   9.842  -2.307  -4.800
  271    HA   ILE  38           HA       ILE  38  11.593   0.002  -4.606
  272    HB   ILE  38           HB       ILE  38   9.740   0.959  -3.173
  273   HG12  ILE  38          HG12      ILE  38   8.261  -1.469  -4.202
  274   HG13  ILE  38          HG11      ILE  38   8.709  -1.188  -2.524
  275   HG21  ILE  38          HG21      ILE  38   8.323   1.460  -5.096
  276   HG22  ILE  38          HG22      ILE  38   9.054   0.122  -5.983
  277   HG23  ILE  38          HG23      ILE  38  10.033   1.517  -5.528
  278   HD11  ILE  38          HD11      ILE  38   6.788   0.460  -4.155
  279   HD12  ILE  38          HD12      ILE  38   7.250   0.788  -2.485
  280   HD13  ILE  38          HD13      ILE  38   6.370  -0.689  -2.885
  281    H    GLY  39           HN       GLY  39  11.875  -2.794  -3.276
  282    HA2  GLY  39           HA2      GLY  39  13.235  -3.453  -1.552
  283    HA3  GLY  39           HA1      GLY  39  13.443  -1.763  -1.132
  284    H    TYR  40           HN       TYR  40  10.298  -3.345  -1.265
  285    HA   TYR  40           HA       TYR  40  10.181  -3.050   1.652
  286    HB2  TYR  40           HB2      TYR  40   8.075  -2.760  -0.460
  287    HB3  TYR  40           HB1      TYR  40   7.617  -3.172   1.191
  288    HD1  TYR  40           HD1      TYR  40   9.023  -0.564  -0.975
  289    HD2  TYR  40           HD2      TYR  40   7.905  -1.581   3.002
  290    HE1  TYR  40           HE1      TYR  40   9.183   1.804  -0.329
  291    HE2  TYR  40           HE2      TYR  40   8.055   0.782   3.656
  292    HH   TYR  40           HH       TYR  40   9.237   2.839   2.874
  293    H    ASP  41           HN       ASP  41  10.275  -4.784   2.789
  294    HA   ASP  41           HA       ASP  41  10.111  -7.404   1.708
  295    HB2  ASP  41           HB2      ASP  41  10.134  -6.456   4.586
  296    HB3  ASP  41           HB1      ASP  41  10.252  -8.141   4.093
  297    H    SER  42           HN       SER  42   8.583  -9.028   2.143
  298    HA   SER  42           HA       SER  42   5.913  -8.396   1.811
  299    HB2  SER  42           HB2      SER  42   5.526 -10.784   2.600
  300    HB3  SER  42           HB1      SER  42   6.685 -10.594   1.277
  301    H    LEU  43           HN       LEU  43   7.626  -9.184   4.814
  302    HA   LEU  43           HA       LEU  43   5.375  -9.135   6.507
  303    HB2  LEU  43           HB2      LEU  43   7.766 -10.041   6.913
  304    HB3  LEU  43           HB1      LEU  43   8.149  -8.403   7.396
  305    HG   LEU  43           HG       LEU  43   7.647  -9.991   9.274
  306   HD11  LEU  43          HD11      LEU  43   7.523  -7.582   9.603
  307   HD12  LEU  43          HD12      LEU  43   6.288  -8.418  10.545
  308   HD13  LEU  43          HD13      LEU  43   5.847  -7.588   9.054
  309   HD21  LEU  43          HD21      LEU  43   5.856 -11.256   8.251
  310   HD22  LEU  43          HD22      LEU  43   4.849  -9.810   8.168
  311   HD23  LEU  43          HD23      LEU  43   5.285 -10.494   9.734
  312    H    ALA  44           HN       ALA  44   7.811  -6.629   5.802
  313    HA   ALA  44           HA       ALA  44   6.646  -4.614   7.391
  314    HB1  ALA  44           HB1      ALA  44   8.941  -4.461   6.579
  315    HB2  ALA  44           HB2      ALA  44   8.011  -3.048   6.078
  316    HB3  ALA  44           HB3      ALA  44   8.358  -4.333   4.921
  317    H    LEU  45           HN       LEU  45   6.044  -5.720   4.145
  318    HA   LEU  45           HA       LEU  45   4.400  -3.610   3.268
  319    HB2  LEU  45           HB2      LEU  45   5.311  -5.135   1.683
  320    HB3  LEU  45           HB1      LEU  45   4.603  -6.514   2.498
  321    HG   LEU  45           HG       LEU  45   2.354  -5.733   1.814
  322   HD11  LEU  45          HD11      LEU  45   2.134  -3.981   0.149
  323   HD12  LEU  45          HD12      LEU  45   3.871  -3.667   0.222
  324   HD13  LEU  45          HD13      LEU  45   2.853  -3.342   1.628
  325   HD21  LEU  45          HD21      LEU  45   4.322  -6.071  -0.444
  326   HD22  LEU  45          HD22      LEU  45   2.582  -6.340  -0.533
  327   HD23  LEU  45          HD23      LEU  45   3.587  -7.374   0.485
  328    H    MET  46           HN       MET  46   3.582  -6.718   4.842
  329    HA   MET  46           HA       MET  46   0.793  -6.154   4.805
  330    HB2  MET  46           HB2      MET  46   0.473  -8.127   6.094
  331    HB3  MET  46           HB1      MET  46   1.760  -8.458   4.948
  332    HG2  MET  46           HG2      MET  46   3.420  -8.195   6.685
  333    HG3  MET  46           HG1      MET  46   2.164  -7.766   7.845
  334    HE1  MET  46           HE1      MET  46  -0.138  -9.849   6.794
  335    HE2  MET  46           HE2      MET  46   0.160  -9.482   8.494
  336    HE3  MET  46           HE3      MET  46   0.112 -11.157   7.950
  337    H    GLU  47           HN       GLU  47   3.381  -5.403   7.017
  338    HA   GLU  47           HA       GLU  47   1.789  -4.507   9.172
  339    HB2  GLU  47           HB2      GLU  47   4.505  -3.606   8.195
  340    HB3  GLU  47           HB1      GLU  47   3.758  -2.991   9.664
  341    HG2  GLU  47           HG2      GLU  47   3.678  -5.330  10.512
  342    HG3  GLU  47           HG1      GLU  47   4.595  -5.820   9.086
  343    H    THR  48           HN       THR  48   2.936  -2.950   6.233
  344    HA   THR  48           HA       THR  48   1.934  -0.370   6.662
  345    HB   THR  48           HB       THR  48   2.223  -1.804   4.010
  346    HG1  THR  48           HG1      THR  48   4.176  -1.736   5.343
  347   HG21  THR  48          HG21      THR  48   2.260   1.136   4.697
  348   HG22  THR  48          HG22      THR  48   0.947   0.285   3.882
  349   HG23  THR  48          HG23      THR  48   2.520   0.446   3.096
  350    H    ALA  49           HN       ALA  49   0.471  -3.266   5.272
  351    HA   ALA  49           HA       ALA  49  -1.924  -2.196   4.339
  352    HB1  ALA  49           HB1      ALA  49  -1.194  -4.487   3.873
  353    HB2  ALA  49           HB2      ALA  49  -2.837  -4.441   4.507
  354    HB3  ALA  49           HB3      ALA  49  -1.505  -4.927   5.553
  355    H    ALA  50           HN       ALA  50  -1.063  -3.318   7.574
  356    HA   ALA  50           HA       ALA  50  -3.607  -3.097   8.755
  357    HB1  ALA  50           HB1      ALA  50  -2.373  -3.063  10.892
  358    HB2  ALA  50           HB2      ALA  50  -0.866  -2.865   9.997
  359    HB3  ALA  50           HB3      ALA  50  -1.815  -4.341   9.811
  360    H    ARG  51           HN       ARG  51  -1.068  -0.800   8.110
  361    HA   ARG  51           HA       ARG  51  -2.042   1.312   9.740
  362    HB2  ARG  51           HB2      ARG  51  -0.409   1.561   7.213
  363    HB3  ARG  51           HB1      ARG  51  -0.502   2.711   8.534
  364    HG2  ARG  51           HG2      ARG  51   0.616  -0.065   8.791
  365    HG3  ARG  51           HG1      ARG  51   1.585   1.372   8.464
  366    HD2  ARG  51           HD2      ARG  51   0.983   2.334  10.575
  367    HD3  ARG  51           HD1      ARG  51  -0.193   1.051  10.876
  368    HE   ARG  51           HE       ARG  51   1.722  -0.496  10.992
  369   HH11  ARG  51          HH11      ARG  51   2.350   2.928  11.422
  370   HH12  ARG  51          HH12      ARG  51   3.806   2.667  12.328
  371   HH21  ARG  51          HH21      ARG  51   3.631  -0.830  12.175
  372   HH22  ARG  51          HH22      ARG  51   4.534   0.547  12.755
  373    H    LEU  52           HN       LEU  52  -2.533   0.358   6.388
  374    HA   LEU  52           HA       LEU  52  -4.075   2.567   5.556
  375    HB2  LEU  52           HB2      LEU  52  -4.278  -0.299   4.617
  376    HB3  LEU  52           HB1      LEU  52  -4.880   1.109   3.766
  377    HG   LEU  52           HG       LEU  52  -1.965   0.558   4.334
  378   HD11  LEU  52          HD11      LEU  52  -1.797   0.068   1.950
  379   HD12  LEU  52          HD12      LEU  52  -3.539   0.274   1.778
  380   HD13  LEU  52          HD13      LEU  52  -2.900  -1.051   2.753
  381   HD21  LEU  52          HD21      LEU  52  -1.537   2.398   2.811
  382   HD22  LEU  52          HD22      LEU  52  -2.529   2.943   4.162
  383   HD23  LEU  52          HD23      LEU  52  -3.269   2.645   2.591
  384    H    GLU  53           HN       GLU  53  -5.019  -0.605   6.832
  385    HA   GLU  53           HA       GLU  53  -7.780  -0.231   6.794
  386    HB2  GLU  53           HB2      GLU  53  -6.131  -1.855   8.742
  387    HB3  GLU  53           HB1      GLU  53  -7.869  -2.003   8.510
  388    HG2  GLU  53           HG2      GLU  53  -7.510  -2.715   6.208
  389    HG3  GLU  53           HG1      GLU  53  -5.768  -2.544   6.419
  390    H    SER  54           HN       SER  54  -5.391   0.543   9.291
  391    HA   SER  54           HA       SER  54  -7.247   1.343  11.274
  392    HB2  SER  54           HB2      SER  54  -4.339   2.102  10.944
  393    HB3  SER  54           HB1      SER  54  -5.297   2.319  12.408
  394    HG   SER  54           HG       SER  54  -4.755  -0.165  11.143
  395    H    ARG  55           HN       ARG  55  -5.949   3.005   8.513
  396    HA   ARG  55           HA       ARG  55  -6.537   5.626   9.630
  397    HB2  ARG  55           HB2      ARG  55  -4.482   5.288   8.292
  398    HB3  ARG  55           HB1      ARG  55  -5.472   4.899   6.893
  399    HG2  ARG  55           HG2      ARG  55  -6.353   7.123   6.817
  400    HG3  ARG  55           HG1      ARG  55  -5.567   7.537   8.342
  401    HD2  ARG  55           HD2      ARG  55  -4.165   6.805   5.769
  402    HD3  ARG  55           HD1      ARG  55  -4.342   8.437   6.415
  403    HE   ARG  55           HE       ARG  55  -3.132   6.889   8.387
  404   HH11  ARG  55          HH11      ARG  55  -2.388   8.107   5.168
  405   HH12  ARG  55          HH12      ARG  55  -0.670   8.063   5.429
  406   HH21  ARG  55          HH21      ARG  55  -0.862   6.851   8.711
  407   HH22  ARG  55          HH22      ARG  55   0.203   7.356   7.427
  408    H    TYR  56           HN       TYR  56  -7.633   3.590   6.936
  409    HA   TYR  56           HA       TYR  56  -9.679   5.580   6.306
  410    HB2  TYR  56           HB2      TYR  56  -8.862   3.106   4.777
  411    HB3  TYR  56           HB1      TYR  56  -9.956   4.365   4.208
  412    HD1  TYR  56           HD2      TYR  56  -9.002   6.748   4.024
  413    HD2  TYR  56           HD1      TYR  56  -6.570   3.279   4.385
  414    HE1  TYR  56           HE2      TYR  56  -7.084   8.008   3.136
  415    HE2  TYR  56           HE1      TYR  56  -4.648   4.525   3.504
  416    HH   TYR  56           HH       TYR  56  -4.554   7.862   3.264
  417    H    GLY  57           HN       GLY  57  -9.400   2.838   8.154
  418    HA2  GLY  57           HA2      GLY  57 -11.008   1.701   9.352
  419    HA3  GLY  57           HA1      GLY  57 -12.230   2.708   8.590
  420    H    VAL  58           HN       VAL  58  -9.967   0.933   6.661
  421    HA   VAL  58           HA       VAL  58 -12.194  -0.664   5.635
  422    HB   VAL  58           HB       VAL  58 -10.742  -1.155   3.704
  423   HG11  VAL  58          HG11      VAL  58 -10.959   1.781   4.359
  424   HG12  VAL  58          HG12      VAL  58 -12.190   0.786   3.580
  425   HG13  VAL  58          HG13      VAL  58 -10.665   1.114   2.754
  426   HG21  VAL  58          HG21      VAL  58  -8.603   0.026   3.441
  427   HG22  VAL  58          HG22      VAL  58  -8.577  -1.079   4.817
  428   HG23  VAL  58          HG23      VAL  58  -8.754   0.655   5.083
  429    H    SER  59           HN       SER  59 -11.040  -2.825   4.579
  430    HA   SER  59           HA       SER  59  -9.085  -3.995   6.324
  431    HB2  SER  59           HB2      SER  59 -11.366  -4.333   7.461
  432    HB3  SER  59           HB1      SER  59 -11.737  -5.425   6.124
  433    HG   SER  59           HG       SER  59  -9.288  -5.846   7.353
  434    H    ILE  60           HN       ILE  60  -7.886  -5.443   5.228
  435    HA   ILE  60           HA       ILE  60  -8.644  -5.868   2.422
  436    HB   ILE  60           HB       ILE  60  -5.950  -6.262   3.731
  437   HG12  ILE  60          HG12      ILE  60  -6.935  -3.950   2.037
  438   HG13  ILE  60          HG11      ILE  60  -6.796  -3.905   3.790
  439   HG21  ILE  60          HG21      ILE  60  -6.777  -6.145   0.834
  440   HG22  ILE  60          HG22      ILE  60  -6.219  -7.573   1.705
  441   HG23  ILE  60          HG23      ILE  60  -5.114  -6.228   1.414
  442   HD11  ILE  60          HD11      ILE  60  -4.528  -4.287   1.850
  443   HD12  ILE  60          HD12      ILE  60  -4.392  -4.241   3.609
  444   HD13  ILE  60          HD13      ILE  60  -4.917  -2.806   2.730
  445    HA   PRO  61           HA       PRO  61  -9.766 -10.071   3.452
  446    HB2  PRO  61           HB2      PRO  61  -9.725 -10.378   0.509
  447    HB3  PRO  61           HB1      PRO  61 -11.036 -10.674   1.657
  448    HG2  PRO  61           HG2      PRO  61 -11.090  -8.559   0.048
  449    HG3  PRO  61           HG1      PRO  61 -11.656  -8.445   1.726
  450    HD2  PRO  61           HD2      PRO  61  -9.049  -7.556   0.542
  451    HD3  PRO  61           HD1      PRO  61 -10.093  -6.723   1.714
  452    H    ASP  62           HN       ASP  62  -8.979 -12.167   3.258
  453    HA   ASP  62           HA       ASP  62  -6.212 -12.385   3.465
  454    HB2  ASP  62           HB2      ASP  62  -7.801 -13.913   4.554
  455    HB3  ASP  62           HB1      ASP  62  -8.246 -14.577   2.989
  456    H    ASP  63           HN       ASP  63  -8.277 -13.650   0.825
  457    HA   ASP  63           HA       ASP  63  -6.052 -14.857  -0.479
  458    HB2  ASP  63           HB2      ASP  63  -8.828 -14.315  -1.557
  459    HB3  ASP  63           HB1      ASP  63  -7.628 -15.349  -2.314
  460    H    VAL  64           HN       VAL  64  -7.838 -11.860  -1.011
  461    HA   VAL  64           HA       VAL  64  -6.639 -11.386  -3.554
  462    HB   VAL  64           HB       VAL  64  -8.874 -10.474  -2.814
  463   HG11  VAL  64          HG11      VAL  64  -8.865  -8.329  -1.627
  464   HG12  VAL  64          HG12      VAL  64  -7.130  -8.498  -1.370
  465   HG13  VAL  64          HG13      VAL  64  -8.245  -9.647  -0.632
  466   HG21  VAL  64          HG21      VAL  64  -6.865  -8.538  -3.949
  467   HG22  VAL  64          HG22      VAL  64  -8.617  -8.370  -4.054
  468   HG23  VAL  64          HG23      VAL  64  -7.810  -9.718  -4.857
  469    H    ALA  65           HN       ALA  65  -5.734 -10.740  -0.285
  470    HA   ALA  65           HA       ALA  65  -4.017  -8.553  -0.646
  471    HB1  ALA  65           HB1      ALA  65  -3.851 -10.777   1.380
  472    HB2  ALA  65           HB2      ALA  65  -4.746  -9.267   1.557
  473    HB3  ALA  65           HB3      ALA  65  -2.984  -9.245   1.472
  474    H    GLY  66           HN       GLY  66  -3.490 -12.005  -0.951
  475    HA2  GLY  66           HA2      GLY  66  -0.661 -11.626  -1.504
  476    HA3  GLY  66           HA1      GLY  66  -1.508 -13.163  -1.404
  477    H    ARG  67           HN       ARG  67  -3.333 -11.200  -3.339
  478    HA   ARG  67           HA       ARG  67  -2.177 -12.482  -5.703
  479    HB2  ARG  67           HB2      ARG  67  -4.927 -11.415  -5.122
  480    HB3  ARG  67           HB1      ARG  67  -4.407 -11.818  -6.754
  481    HG2  ARG  67           HG2      ARG  67  -3.900 -14.123  -5.943
  482    HG3  ARG  67           HG1      ARG  67  -4.625 -13.675  -4.395
  483    HD2  ARG  67           HD2      ARG  67  -6.194 -14.865  -5.907
  484    HD3  ARG  67           HD1      ARG  67  -6.745 -13.252  -5.456
  485    HE   ARG  67           HE       ARG  67  -5.274 -13.244  -7.909
  486   HH11  ARG  67          HH11      ARG  67  -8.419 -13.995  -6.550
  487   HH12  ARG  67          HH12      ARG  67  -9.283 -13.573  -7.994
  488   HH21  ARG  67          HH21      ARG  67  -6.407 -12.654  -9.795
  489   HH22  ARG  67          HH22      ARG  67  -8.144 -12.783  -9.833
  490    H    VAL  68           HN       VAL  68  -1.938  -9.570  -4.219
  491    HA   VAL  68           HA       VAL  68  -1.940  -8.024  -6.687
  492    HB   VAL  68           HB       VAL  68  -1.302  -6.082  -5.272
  493   HG11  VAL  68          HG11      VAL  68  -3.757  -7.577  -4.345
  494   HG12  VAL  68          HG12      VAL  68  -3.648  -6.549  -5.773
  495   HG13  VAL  68          HG13      VAL  68  -3.468  -5.845  -4.168
  496   HG21  VAL  68          HG21      VAL  68  -0.149  -7.362  -3.506
  497   HG22  VAL  68          HG22      VAL  68  -1.709  -7.983  -2.965
  498   HG23  VAL  68          HG23      VAL  68  -1.360  -6.256  -2.862
  499    H    ASP  69           HN       ASP  69   0.056  -6.453  -6.829
  500    HA   ASP  69           HA       ASP  69   2.543  -7.874  -6.317
  501    HB2  ASP  69           HB2      ASP  69   1.704  -8.859  -8.414
  502    HB3  ASP  69           HB1      ASP  69   1.601  -7.256  -9.130
  503    H    THR  70           HN       THR  70   1.070  -5.130  -8.051
  504    HA   THR  70           HA       THR  70   3.331  -3.476  -7.176
  505    HB   THR  70           HB       THR  70   2.535  -1.878  -8.957
  506    HG1  THR  70           HG1      THR  70   1.170  -2.962 -10.583
  507   HG21  THR  70          HG21      THR  70   3.285  -4.643  -9.926
  508   HG22  THR  70          HG22      THR  70   4.421  -3.434  -9.330
  509   HG23  THR  70          HG23      THR  70   3.511  -3.127 -10.808
  510    HA   PRO  71           HA       PRO  71   0.911  -1.055  -4.329
  511    HB2  PRO  71           HB2      PRO  71   2.152   1.237  -5.788
  512    HB3  PRO  71           HB1      PRO  71   2.060   0.935  -4.051
  513    HG2  PRO  71           HG2      PRO  71   4.330   0.501  -5.333
  514    HG3  PRO  71           HG1      PRO  71   3.770  -0.665  -4.117
  515    HD2  PRO  71           HD2      PRO  71   3.685  -0.847  -7.103
  516    HD3  PRO  71           HD1      PRO  71   4.013  -2.115  -5.904
  517    H    ARG  72           HN       ARG  72   0.985  -0.020  -7.727
  518    HA   ARG  72           HA       ARG  72  -1.147   1.764  -7.703
  519    HB2  ARG  72           HB2      ARG  72   0.401   1.310  -9.634
  520    HB3  ARG  72           HB1      ARG  72  -0.530  -0.146  -9.958
  521    HG2  ARG  72           HG2      ARG  72  -2.519   1.662  -9.871
  522    HG3  ARG  72           HG1      ARG  72  -1.201   2.682 -10.452
  523    HD2  ARG  72           HD2      ARG  72  -2.104   0.086 -11.674
  524    HD3  ARG  72           HD1      ARG  72  -2.470   1.690 -12.295
  525    HE   ARG  72           HE       ARG  72   0.021   1.931 -12.551
  526   HH11  ARG  72          HH11      ARG  72  -1.474  -1.266 -12.590
  527   HH12  ARG  72          HH12      ARG  72  -0.309  -1.920 -13.703
  528   HH21  ARG  72          HH21      ARG  72   1.567   1.029 -13.980
  529   HH22  ARG  72          HH22      ARG  72   1.428  -0.631 -14.467
  530    H    GLU  73           HN       GLU  73  -1.180  -1.726  -8.350
  531    HA   GLU  73           HA       GLU  73  -3.961  -1.923  -8.762
  532    HB2  GLU  73           HB2      GLU  73  -2.137  -4.118  -7.771
  533    HB3  GLU  73           HB1      GLU  73  -3.664  -4.311  -8.618
  534    HG2  GLU  73           HG2      GLU  73  -1.093  -3.218  -9.742
  535    HG3  GLU  73           HG1      GLU  73  -1.853  -4.760 -10.124
  536    H    LEU  74           HN       LEU  74  -1.972  -2.142  -5.867
  537    HA   LEU  74           HA       LEU  74  -3.983  -3.033  -4.079
  538    HB2  LEU  74           HB2      LEU  74  -1.316  -2.578  -3.877
  539    HB3  LEU  74           HB1      LEU  74  -1.929  -1.150  -3.072
  540    HG   LEU  74           HG       LEU  74  -2.425  -4.019  -2.277
  541   HD11  LEU  74          HD11      LEU  74  -1.196  -3.405  -0.268
  542   HD12  LEU  74          HD12      LEU  74  -0.964  -1.774  -0.894
  543   HD13  LEU  74          HD13      LEU  74  -0.215  -3.144  -1.710
  544   HD21  LEU  74          HD21      LEU  74  -3.500  -1.477  -1.057
  545   HD22  LEU  74          HD22      LEU  74  -3.634  -3.086  -0.346
  546   HD23  LEU  74          HD23      LEU  74  -4.439  -2.725  -1.874
  547    H    LEU  75           HN       LEU  75  -2.795   0.192  -4.938
  548    HA   LEU  75           HA       LEU  75  -4.555   1.719  -3.404
  549    HB2  LEU  75           HB2      LEU  75  -2.581   2.620  -4.578
  550    HB3  LEU  75           HB1      LEU  75  -3.375   2.347  -6.117
  551    HG   LEU  75           HG       LEU  75  -5.166   3.953  -5.361
  552   HD11  LEU  75          HD11      LEU  75  -4.754   3.862  -2.974
  553   HD12  LEU  75          HD12      LEU  75  -4.575   5.512  -3.573
  554   HD13  LEU  75          HD13      LEU  75  -3.146   4.545  -3.211
  555   HD21  LEU  75          HD21      LEU  75  -3.432   4.591  -6.949
  556   HD22  LEU  75          HD22      LEU  75  -2.348   4.999  -5.618
  557   HD23  LEU  75          HD23      LEU  75  -3.822   5.934  -5.876
  558    H    ASP  76           HN       ASP  76  -4.833   0.613  -6.760
  559    HA   ASP  76           HA       ASP  76  -7.306   1.735  -7.380
  560    HB2  ASP  76           HB2      ASP  76  -5.760   0.743  -9.033
  561    HB3  ASP  76           HB1      ASP  76  -6.134  -0.858  -8.406
  562    H    LEU  77           HN       LEU  77  -6.520  -1.379  -5.930
  563    HA   LEU  77           HA       LEU  77  -9.086  -2.499  -5.959
  564    HB2  LEU  77           HB2      LEU  77  -7.084  -3.818  -5.540
  565    HB3  LEU  77           HB1      LEU  77  -6.787  -2.941  -4.053
  566    HG   LEU  77           HG       LEU  77  -8.920  -3.879  -3.143
  567   HD11  LEU  77          HD11      LEU  77  -9.913  -5.803  -4.267
  568   HD12  LEU  77          HD12      LEU  77  -8.812  -5.584  -5.629
  569   HD13  LEU  77          HD13      LEU  77 -10.024  -4.354  -5.267
  570   HD21  LEU  77          HD21      LEU  77  -6.886  -5.921  -4.030
  571   HD22  LEU  77          HD22      LEU  77  -8.000  -6.071  -2.671
  572   HD23  LEU  77          HD23      LEU  77  -6.724  -4.856  -2.634
  573    H    ILE  78           HN       ILE  78  -7.409  -0.730  -3.356
  574    HA   ILE  78           HA       ILE  78  -9.634  -0.917  -1.584
  575    HB   ILE  78           HB       ILE  78  -7.276   0.975  -1.438
  576   HG12  ILE  78          HG12      ILE  78  -7.715  -1.771  -0.239
  577   HG13  ILE  78          HG11      ILE  78  -6.594  -1.379  -1.534
  578   HG21  ILE  78          HG21      ILE  78  -7.798   1.082   0.955
  579   HG22  ILE  78          HG22      ILE  78  -9.210   0.058   0.696
  580   HG23  ILE  78          HG23      ILE  78  -9.147   1.670  -0.017
  581   HD11  ILE  78          HD11      ILE  78  -5.344   0.055   0.027
  582   HD12  ILE  78          HD12      ILE  78  -5.406  -1.636   0.526
  583   HD13  ILE  78          HD13      ILE  78  -6.439  -0.446   1.320
  584    H    ASN  79           HN       ASN  79  -8.518   1.539  -3.881
  585    HA   ASN  79           HA       ASN  79 -10.380   3.548  -3.189
  586    HB2  ASN  79           HB2      ASN  79  -8.851   2.897  -5.681
  587    HB3  ASN  79           HB1      ASN  79 -10.154   4.074  -5.769
  588   HD21  ASN  79          HD21      ASN  79  -7.998   3.592  -3.019
  589   HD22  ASN  79          HD22      ASN  79  -7.223   5.135  -3.139
  590    H    GLY  80           HN       GLY  80 -10.545   0.888  -5.529
  591    HA2  GLY  80           HA2      GLY  80 -13.147   1.451  -6.467
  592    HA3  GLY  80           HA1      GLY  80 -12.322  -0.096  -6.593
  593    H    ALA  81           HN       ALA  81 -11.988  -0.469  -3.748
  594    HA   ALA  81           HA       ALA  81 -14.479  -1.698  -3.159
  595    HB1  ALA  81           HB1      ALA  81 -12.148  -1.176  -1.315
  596    HB2  ALA  81           HB2      ALA  81 -12.339  -2.589  -2.352
  597    HB3  ALA  81           HB3      ALA  81 -13.472  -2.305  -1.030
  598    H    LEU  82           HN       LEU  82 -12.950   1.309  -2.154
  599    HA   LEU  82           HA       LEU  82 -14.940   2.006  -0.233
  600    HB2  LEU  82           HB2      LEU  82 -12.876   3.618  -1.719
  601    HB3  LEU  82           HB1      LEU  82 -13.970   4.332  -0.550
  602    HG   LEU  82           HG       LEU  82 -11.976   2.145   0.058
  603   HD11  LEU  82          HD11      LEU  82 -10.857   4.247  -0.446
  604   HD12  LEU  82          HD12      LEU  82 -10.758   3.886   1.276
  605   HD13  LEU  82          HD13      LEU  82 -11.904   5.094   0.697
  606   HD21  LEU  82          HD21      LEU  82 -13.713   3.790   1.894
  607   HD22  LEU  82          HD22      LEU  82 -12.540   2.566   2.381
  608   HD23  LEU  82          HD23      LEU  82 -13.980   2.097   1.477
  609    H    ALA  83           HN       ALA  83 -14.532   2.466  -3.669
  610    HA   ALA  83           HA       ALA  83 -16.544   4.416  -4.052
  611    HB1  ALA  83           HB1      ALA  83 -15.442   2.394  -6.003
  612    HB2  ALA  83           HB2      ALA  83 -14.811   4.015  -5.711
  613    HB3  ALA  83           HB3      ALA  83 -16.411   3.804  -6.423
  614    H    GLU  84           HN       GLU  84 -16.693   1.037  -3.456
  615    HA   GLU  84           HA       GLU  84 -19.322   0.700  -4.610
  616    HB2  GLU  84           HB2      GLU  84 -17.707  -1.150  -2.846
  617    HB3  GLU  84           HB1      GLU  84 -19.201  -1.570  -3.670
  618    HG2  GLU  84           HG2      GLU  84 -18.106  -1.183  -5.831
  619    HG3  GLU  84           HG1      GLU  84 -16.601  -0.819  -4.991
  620    H    ALA  85           HN       ALA  85 -18.214   2.187  -1.910
  621    HA   ALA  85           HA       ALA  85 -20.490   1.367  -0.238
  622    HB1  ALA  85           HB1      ALA  85 -19.281   2.338   1.640
  623    HB2  ALA  85           HB2      ALA  85 -18.000   2.876   0.554
  624    HB3  ALA  85           HB3      ALA  85 -18.273   1.152   0.807
  625    H    ALA  86           HN       ALA  86 -21.950   2.865   0.498
  626    HA   ALA  86           HA       ALA  86 -21.615   5.647  -0.367
  627    HB1  ALA  86           HB1      ALA  86 -23.953   5.722  -1.106
  628    HB2  ALA  86           HB2      ALA  86 -24.106   3.996  -0.781
  629    HB3  ALA  86           HB3      ALA  86 -23.011   4.559  -2.043
  630    H28  SXO  87          H28B      SXO  87   5.967 -11.887   5.010
  631   H28A  SXO  87          H28A      SXO  87   6.745 -13.390   5.512
  632    H30  SXO  87          H30A      SXO  87   4.101 -11.933   6.403
  633   H30A  SXO  87          H30C      SXO  87   3.214 -13.427   6.720
  634   H30B  SXO  87          H30B      SXO  87   4.894 -13.274   7.235
  635    H31  SXO  87          H31A      SXO  87   4.017 -13.497   3.081
  636   H31A  SXO  87          H31B      SXO  87   3.556 -12.081   4.028
  637   H31B  SXO  87          H31C      SXO  87   2.690 -13.602   4.235
  638    H32  SXO  87          H32A      SXO  87   5.314 -15.415   6.056
  639   HO33  SXO  87          H33A      SXO  87   4.691 -15.969   3.413
  640   HN36  SXO  87          H36A      SXO  87   3.199 -15.301   7.220
  641    H37  SXO  87          H37A      SXO  87   0.794 -16.090   5.837
  642   H37A  SXO  87          H37B      SXO  87   1.512 -17.364   6.824
  643    H38  SXO  87          H38B      SXO  87   1.346 -14.866   8.261
  644   H38A  SXO  87          H38A      SXO  87   0.733 -16.454   8.705
  645   HN41  SXO  87          H41A      SXO  87  -0.001 -14.396   5.984
  646    H42  SXO  87          H42A      SXO  87  -2.520 -14.663   5.400
  647   H42A  SXO  87          H42B      SXO  87  -2.694 -13.778   6.919
  648    H43  SXO  87          H43B      SXO  87  -2.732 -12.305   4.913
  649   H43A  SXO  87          H43A      SXO  87  -1.396 -11.930   6.016
  650    H2   SXO  87           H2A      SXO  87   1.082 -12.018   2.300
  651    H2A  SXO  87           H2B      SXO  87   1.614 -10.582   3.166
  652    H3   SXO  87           H3B      SXO  87   1.160 -10.248   0.726
  653    H3A  SXO  87           H3A      SXO  87  -0.544 -10.553   1.063
  654    H4   SXO  87           H4A      SXO  87   1.060  -8.406   2.443
  655    H4A  SXO  87           H4B      SXO  87  -0.692  -8.627   2.456
  656    H5   SXO  87           H5B      SXO  87   0.957  -7.957   0.021
  657    H5A  SXO  87           H5A      SXO  87  -0.800  -8.130   0.077
  658    H6   SXO  87           H6A      SXO  87   0.076  -5.762   0.141
  659    H6A  SXO  87           H6B      SXO  87   0.712  -6.132   1.744
  660    H7   SXO  87           H7A      SXO  87  -1.407  -5.072   2.052
  661    H7A  SXO  87           H7B      SXO  87  -1.624  -6.791   2.414
  662    H8   SXO  87           H8C      SXO  87  -3.455  -5.910   1.051
  663    H8A  SXO  87           H8A      SXO  87  -2.542  -7.146   0.184
  664    H8B  SXO  87           H8B      SXO  87  -2.299  -5.440  -0.195
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -17.453  14.533   5.110
    2    H2   MET   1           HT2      MET   1 -16.030  13.835   5.710
    3    H3   MET   1           HT3      MET   1 -17.388  12.864   5.406
    4    HA   MET   1           HA       MET   1 -17.235  13.338   3.053
    5    HB2  MET   1           HB2      MET   1 -14.728  14.811   3.907
    6    HB3  MET   1           HB1      MET   1 -15.107  14.394   2.243
    7    HG2  MET   1           HG2      MET   1 -16.759  16.182   4.010
    8    HG3  MET   1           HG1      MET   1 -15.622  16.724   2.777
    9    HE1  MET   1           HE1      MET   1 -17.553  18.209   1.648
   10    HE2  MET   1           HE2      MET   1 -18.642  17.666   2.924
   11    HE3  MET   1           HE3      MET   1 -19.141  17.563   1.236
   12    H    ALA   2           HN       ALA   2 -16.416  11.634   1.932
   13    HA   ALA   2           HA       ALA   2 -14.893   9.700   3.431
   14    HB1  ALA   2           HB1      ALA   2 -15.215   8.244   1.510
   15    HB2  ALA   2           HB2      ALA   2 -15.842   9.598   0.570
   16    HB3  ALA   2           HB3      ALA   2 -16.736   9.006   1.971
   17    H    THR   3           HN       THR   3 -12.836  10.429   3.739
   18    HA   THR   3           HA       THR   3 -11.234  11.487   1.616
   19    HB   THR   3           HB       THR   3  -9.353  11.117   3.303
   20    HG1  THR   3           HG1      THR   3 -10.502   9.452   4.474
   21   HG21  THR   3          HG21      THR   3 -10.510  13.273   3.048
   22   HG22  THR   3          HG22      THR   3 -10.069  12.963   4.728
   23   HG23  THR   3          HG23      THR   3 -11.736  12.741   4.199
   24    H    LEU   4           HN       LEU   4 -10.772  10.176  -0.037
   25    HA   LEU   4           HA       LEU   4 -10.427   7.347   0.324
   26    HB2  LEU   4           HB2      LEU   4  -9.875   8.960  -2.157
   27    HB3  LEU   4           HB1      LEU   4 -10.183   7.235  -2.054
   28    HG   LEU   4           HG       LEU   4 -12.174   9.450  -1.546
   29   HD11  LEU   4          HD11      LEU   4 -12.007   7.367  -3.715
   30   HD12  LEU   4          HD12      LEU   4 -11.669   9.088  -3.898
   31   HD13  LEU   4          HD13      LEU   4 -13.301   8.547  -3.507
   32   HD21  LEU   4          HD21      LEU   4 -12.555   7.563  -0.032
   33   HD22  LEU   4          HD22      LEU   4 -12.572   6.462  -1.409
   34   HD23  LEU   4          HD23      LEU   4 -13.827   7.691  -1.246
   35    H    LEU   5           HN       LEU   5  -8.464   6.334  -0.901
   36    HA   LEU   5           HA       LEU   5  -6.119   7.236   0.515
   37    HB2  LEU   5           HB2      LEU   5  -7.078   4.804  -0.209
   38    HB3  LEU   5           HB1      LEU   5  -5.926   5.079  -1.498
   39    HG   LEU   5           HG       LEU   5  -5.298   5.048   1.454
   40   HD11  LEU   5          HD11      LEU   5  -5.814   2.844   0.604
   41   HD12  LEU   5          HD12      LEU   5  -4.083   2.984   0.904
   42   HD13  LEU   5          HD13      LEU   5  -4.702   3.073  -0.745
   43   HD21  LEU   5          HD21      LEU   5  -3.445   5.285  -0.912
   44   HD22  LEU   5          HD22      LEU   5  -2.976   5.205   0.787
   45   HD23  LEU   5          HD23      LEU   5  -3.874   6.597   0.182
   46    H    THR   6           HN       THR   6  -4.585   8.548  -0.336
   47    HA   THR   6           HA       THR   6  -4.778   9.176  -3.194
   48    HB   THR   6           HB       THR   6  -3.658  11.255  -2.708
   49    HG1  THR   6           HG1      THR   6  -3.578  11.023   0.040
   50   HG21  THR   6          HG21      THR   6  -6.064  11.224  -2.282
   51   HG22  THR   6          HG22      THR   6  -5.245  12.302  -1.153
   52   HG23  THR   6          HG23      THR   6  -5.774  10.706  -0.622
   53    H    THR   7           HN       THR   7  -2.549  10.003  -4.056
   54    HA   THR   7           HA       THR   7  -0.720   7.909  -4.240
   55    HB   THR   7           HB       THR   7   0.843   9.856  -5.009
   56    HG1  THR   7           HG1      THR   7  -0.052  11.710  -4.375
   57   HG21  THR   7          HG21      THR   7  -0.295   8.319  -6.535
   58   HG22  THR   7          HG22      THR   7  -0.322   9.965  -7.166
   59   HG23  THR   7          HG23      THR   7  -1.769   9.284  -6.422
   60    H    ASP   8           HN       ASP   8  -0.454  10.957  -2.472
   61    HA   ASP   8           HA       ASP   8   2.075  10.421  -1.355
   62    HB2  ASP   8           HB2      ASP   8  -0.061  12.376  -0.481
   63    HB3  ASP   8           HB1      ASP   8   1.615  12.398   0.058
   64    H    ASP   9           HN       ASP   9  -1.212  10.077  -0.054
   65    HA   ASP   9           HA       ASP   9  -0.438   9.369   2.560
   66    HB2  ASP   9           HB2      ASP   9  -2.929   8.853   0.964
   67    HB3  ASP   9           HB1      ASP   9  -2.732   8.179   2.577
   68    H    LEU  10           HN       LEU  10  -0.792   7.482  -0.374
   69    HA   LEU  10           HA       LEU  10  -0.587   4.923   0.804
   70    HB2  LEU  10           HB2      LEU  10  -1.071   5.821  -1.699
   71    HB3  LEU  10           HB1      LEU  10   0.609   5.360  -1.873
   72    HG   LEU  10           HG       LEU  10  -1.644   3.544  -1.018
   73   HD11  LEU  10          HD11      LEU  10  -0.041   3.648  -3.565
   74   HD12  LEU  10          HD12      LEU  10  -1.728   4.131  -3.376
   75   HD13  LEU  10          HD13      LEU  10  -1.263   2.445  -3.154
   76   HD21  LEU  10          HD21      LEU  10   1.268   2.922  -1.500
   77   HD22  LEU  10          HD22      LEU  10  -0.003   1.743  -1.174
   78   HD23  LEU  10          HD23      LEU  10   0.448   2.915   0.063
   79    H    ARG  11           HN       ARG  11   1.810   7.017  -0.743
   80    HA   ARG  11           HA       ARG  11   4.096   5.488  -0.281
   81    HB2  ARG  11           HB2      ARG  11   3.989   7.441  -1.781
   82    HB3  ARG  11           HB1      ARG  11   3.848   8.503  -0.391
   83    HG2  ARG  11           HG2      ARG  11   6.080   7.794   0.353
   84    HG3  ARG  11           HG1      ARG  11   6.217   6.783  -1.090
   85    HD2  ARG  11           HD2      ARG  11   7.352   8.944  -1.382
   86    HD3  ARG  11           HD1      ARG  11   6.013   8.745  -2.513
   87    HE   ARG  11           HE       ARG  11   5.800  10.341  -0.030
   88   HH11  ARG  11          HH11      ARG  11   5.231   9.931  -3.462
   89   HH12  ARG  11          HH12      ARG  11   4.330  11.409  -3.621
   90   HH21  ARG  11          HH21      ARG  11   4.613  12.277  -0.244
   91   HH22  ARG  11          HH22      ARG  11   3.963  12.731  -1.794
   92    H    ARG  12           HN       ARG  12   2.507   7.870   1.790
   93    HA   ARG  12           HA       ARG  12   4.477   7.972   3.799
   94    HB2  ARG  12           HB2      ARG  12   1.508   8.461   3.966
   95    HB3  ARG  12           HB1      ARG  12   2.647   8.822   5.258
   96    HG2  ARG  12           HG2      ARG  12   3.813  10.387   3.789
   97    HG3  ARG  12           HG1      ARG  12   2.659  10.032   2.501
   98    HD2  ARG  12           HD2      ARG  12   2.021  12.077   3.582
   99    HD3  ARG  12           HD1      ARG  12   0.841  10.828   3.976
  100    HE   ARG  12           HE       ARG  12   2.747  10.834   6.004
  101   HH11  ARG  12          HH11      ARG  12   0.277  12.955   4.714
  102   HH12  ARG  12          HH12      ARG  12   0.073  13.834   6.202
  103   HH21  ARG  12          HH21      ARG  12   2.472  11.979   7.973
  104   HH22  ARG  12          HH22      ARG  12   1.303  13.271   8.046
  105    H    ALA  13           HN       ALA  13   1.683   5.855   3.352
  106    HA   ALA  13           HA       ALA  13   1.728   4.627   5.874
  107    HB1  ALA  13           HB1      ALA  13  -0.133   4.427   4.273
  108    HB2  ALA  13           HB2      ALA  13   0.408   2.867   4.887
  109    HB3  ALA  13           HB3      ALA  13   0.872   3.385   3.265
  110    H    LEU  14           HN       LEU  14   3.545   3.986   2.942
  111    HA   LEU  14           HA       LEU  14   4.814   1.606   3.790
  112    HB2  LEU  14           HB2      LEU  14   5.413   3.715   1.758
  113    HB3  LEU  14           HB1      LEU  14   6.680   2.584   2.185
  114    HG   LEU  14           HG       LEU  14   5.564   1.834   0.186
  115   HD11  LEU  14          HD11      LEU  14   4.895  -0.402   0.866
  116   HD12  LEU  14          HD12      LEU  14   4.791   0.135   2.543
  117   HD13  LEU  14          HD13      LEU  14   6.348   0.125   1.716
  118   HD21  LEU  14          HD21      LEU  14   3.422   2.931   0.469
  119   HD22  LEU  14          HD22      LEU  14   3.028   1.858   1.812
  120   HD23  LEU  14          HD23      LEU  14   3.199   1.206   0.182
  121    H    VAL  15           HN       VAL  15   5.874   4.991   3.886
  122    HA   VAL  15           HA       VAL  15   8.340   4.495   5.170
  123    HB   VAL  15           HB       VAL  15   6.714   7.050   5.078
  124   HG11  VAL  15          HG11      VAL  15   9.631   6.628   5.733
  125   HG12  VAL  15          HG12      VAL  15   8.370   7.151   6.849
  126   HG13  VAL  15          HG13      VAL  15   8.848   8.194   5.510
  127   HG21  VAL  15          HG21      VAL  15   7.231   6.229   2.857
  128   HG22  VAL  15          HG22      VAL  15   8.932   6.053   3.290
  129   HG23  VAL  15          HG23      VAL  15   8.202   7.657   3.216
  130    H    GLU  16           HN       GLU  16   5.147   5.387   6.455
  131    HA   GLU  16           HA       GLU  16   5.970   5.824   9.112
  132    HB2  GLU  16           HB2      GLU  16   3.317   5.037   7.917
  133    HB3  GLU  16           HB1      GLU  16   3.525   5.292   9.646
  134    HG2  GLU  16           HG2      GLU  16   4.168   7.583   9.282
  135    HG3  GLU  16           HG1      GLU  16   4.152   7.345   7.536
  136    H    SER  17           HN       SER  17   5.306   2.885   7.355
  137    HA   SER  17           HA       SER  17   5.500   1.237   9.733
  138    HB2  SER  17           HB2      SER  17   5.489   0.391   6.824
  139    HB3  SER  17           HB1      SER  17   5.195  -0.637   8.229
  140    HG   SER  17           HG       SER  17   3.521   1.190   6.975
  141    H    ALA  18           HN       ALA  18   7.435   2.035   6.893
  142    HA   ALA  18           HA       ALA  18   9.893   1.571   8.337
  143    HB1  ALA  18           HB1      ALA  18  10.797  -0.065   6.764
  144    HB2  ALA  18           HB2      ALA  18   9.251  -0.103   5.913
  145    HB3  ALA  18           HB3      ALA  18   9.361  -0.695   7.572
  146    H    GLY  19           HN       GLY  19  10.753   3.524   7.871
  147    HA2  GLY  19           HA2      GLY  19  10.807   4.319   5.030
  148    HA3  GLY  19           HA1      GLY  19  10.445   5.469   6.307
  149    H    GLU  20           HN       GLU  20  12.959   3.184   5.276
  150    HA   GLU  20           HA       GLU  20  15.008   4.665   6.669
  151    HB2  GLU  20           HB2      GLU  20  15.157   2.211   6.432
  152    HB3  GLU  20           HB1      GLU  20  15.244   2.391   4.684
  153    HG2  GLU  20           HG2      GLU  20  17.363   3.467   4.826
  154    HG3  GLU  20           HG1      GLU  20  17.248   3.578   6.582
  155    H    THR  21           HN       THR  21  15.959   6.432   5.891
  156    HA   THR  21           HA       THR  21  15.493   7.151   3.098
  157    HB   THR  21           HB       THR  21  16.508   9.378   3.940
  158    HG1  THR  21           HG1      THR  21  17.279   8.943   5.926
  159   HG21  THR  21          HG21      THR  21  14.131   9.031   3.389
  160   HG22  THR  21          HG22      THR  21  14.334  10.110   4.768
  161   HG23  THR  21          HG23      THR  21  13.851   8.433   5.025
  162    H    ASP  22           HN       ASP  22  17.665   5.332   4.323
  163    HA   ASP  22           HA       ASP  22  20.127   6.657   3.673
  164    HB2  ASP  22           HB2      ASP  22  19.492   3.797   4.421
  165    HB3  ASP  22           HB1      ASP  22  21.123   4.379   4.102
  166    H    GLY  23           HN       GLY  23  18.239   4.001   2.243
  167    HA2  GLY  23           HA2      GLY  23  19.431   4.663  -0.348
  168    HA3  GLY  23           HA1      GLY  23  19.646   3.026   0.254
  169    H    THR  24           HN       THR  24  16.698   4.530   1.118
  170    HA   THR  24           HA       THR  24  15.322   2.914  -0.917
  171    HB   THR  24           HB       THR  24  14.213   3.852   1.742
  172    HG1  THR  24           HG1      THR  24  14.506   1.236   1.748
  173   HG21  THR  24          HG21      THR  24  12.501   3.400   0.058
  174   HG22  THR  24          HG22      THR  24  12.475   2.163   1.315
  175   HG23  THR  24          HG23      THR  24  13.206   1.813  -0.251
  176    H    ASP  25           HN       ASP  25  15.059   4.351  -2.558
  177    HA   ASP  25           HA       ASP  25  14.084   7.055  -1.945
  178    HB2  ASP  25           HB2      ASP  25  16.114   6.728  -3.408
  179    HB3  ASP  25           HB1      ASP  25  15.053   5.985  -4.602
  180    H    LEU  26           HN       LEU  26  11.979   7.407  -2.088
  181    HA   LEU  26           HA       LEU  26  10.392   5.791  -3.972
  182    HB2  LEU  26           HB2      LEU  26   9.544   7.044  -1.358
  183    HB3  LEU  26           HB1      LEU  26   8.471   6.204  -2.461
  184    HG   LEU  26           HG       LEU  26  10.798   4.969  -0.993
  185   HD11  LEU  26          HD11      LEU  26   9.053   3.752   0.239
  186   HD12  LEU  26          HD12      LEU  26   7.824   4.715  -0.582
  187   HD13  LEU  26          HD13      LEU  26   8.975   5.494   0.504
  188   HD21  LEU  26          HD21      LEU  26  10.442   3.917  -3.158
  189   HD22  LEU  26          HD22      LEU  26   8.730   3.710  -2.791
  190   HD23  LEU  26          HD23      LEU  26   9.943   2.845  -1.849
  191    H    SER  27           HN       SER  27  11.796   8.273  -4.569
  192    HA   SER  27           HA       SER  27   9.750  10.346  -4.591
  193    HB2  SER  27           HB2      SER  27  12.411  10.595  -5.958
  194    HB3  SER  27           HB1      SER  27  11.470  11.828  -5.117
  195    HG   SER  27           HG       SER  27  13.049   9.747  -4.033
  196    H    GLY  28           HN       GLY  28  10.547   7.763  -6.527
  197    HA2  GLY  28           HA2      GLY  28   9.914   9.156  -9.033
  198    HA3  GLY  28           HA1      GLY  28  10.711   7.598  -8.911
  199    H    ASP  29           HN       ASP  29   9.147   6.934 -10.519
  200    HA   ASP  29           HA       ASP  29   6.355   6.857  -9.910
  201    HB2  ASP  29           HB2      ASP  29   7.825   5.212 -11.981
  202    HB3  ASP  29           HB1      ASP  29   6.117   5.633 -11.969
  203    H    PHE  30           HN       PHE  30   6.520   5.833  -7.790
  204    HA   PHE  30           HA       PHE  30   7.562   3.182  -7.561
  205    HB2  PHE  30           HB2      PHE  30   6.792   3.239  -5.269
  206    HB3  PHE  30           HB1      PHE  30   7.538   4.781  -5.662
  207    HD1  PHE  30           HD2      PHE  30   5.937   6.710  -6.316
  208    HD2  PHE  30           HD1      PHE  30   4.693   3.167  -4.310
  209    HE1  PHE  30           HE2      PHE  30   3.908   7.869  -5.540
  210    HE2  PHE  30           HE1      PHE  30   2.662   4.317  -3.526
  211    HZ   PHE  30           HZ       PHE  30   2.267   6.670  -4.146
  212    H    LEU  31           HN       LEU  31   4.472   4.536  -8.298
  213    HA   LEU  31           HA       LEU  31   2.750   2.487  -7.558
  214    HB2  LEU  31           HB2      LEU  31   2.578   4.427  -9.854
  215    HB3  LEU  31           HB1      LEU  31   1.264   3.374  -9.368
  216    HG   LEU  31           HG       LEU  31   2.522   5.469  -7.596
  217   HD11  LEU  31          HD11      LEU  31   1.310   6.455  -9.485
  218   HD12  LEU  31          HD12      LEU  31   0.491   6.741  -7.949
  219   HD13  LEU  31          HD13      LEU  31  -0.114   5.505  -9.053
  220   HD21  LEU  31          HD21      LEU  31   0.088   3.720  -7.243
  221   HD22  LEU  31          HD22      LEU  31   0.544   5.050  -6.179
  222   HD23  LEU  31          HD23      LEU  31   1.587   3.634  -6.320
  223    H    ASP  32           HN       ASP  32   4.879   2.692 -10.322
  224    HA   ASP  32           HA       ASP  32   3.618   0.386 -11.595
  225    HB2  ASP  32           HB2      ASP  32   5.751   2.320 -12.478
  226    HB3  ASP  32           HB1      ASP  32   5.417   0.840 -13.369
  227    H    LEU  33           HN       LEU  33   6.026   0.955  -9.356
  228    HA   LEU  33           HA       LEU  33   7.703  -1.278 -10.204
  229    HB2  LEU  33           HB2      LEU  33   7.936   0.591  -7.845
  230    HB3  LEU  33           HB1      LEU  33   9.084  -0.674  -8.233
  231    HG   LEU  33           HG       LEU  33   8.479   1.704  -9.992
  232   HD11  LEU  33          HD11      LEU  33  10.721   2.466  -9.340
  233   HD12  LEU  33          HD12      LEU  33  10.825   1.132  -8.191
  234   HD13  LEU  33          HD13      LEU  33   9.615   2.394  -7.969
  235   HD21  LEU  33          HD21      LEU  33   9.183  -0.257 -11.266
  236   HD22  LEU  33          HD22      LEU  33  10.587  -0.445 -10.213
  237   HD23  LEU  33          HD23      LEU  33  10.446   0.974 -11.252
  238    H    ARG  34           HN       ARG  34   7.782  -3.247  -9.168
  239    HA   ARG  34           HA       ARG  34   5.521  -3.952  -7.552
  240    HB2  ARG  34           HB2      ARG  34   8.027  -5.570  -8.024
  241    HB3  ARG  34           HB1      ARG  34   6.464  -6.169  -7.496
  242    HG2  ARG  34           HG2      ARG  34   5.501  -5.864  -9.615
  243    HG3  ARG  34           HG1      ARG  34   6.831  -4.835 -10.157
  244    HD2  ARG  34           HD2      ARG  34   6.906  -7.795  -9.611
  245    HD3  ARG  34           HD1      ARG  34   7.121  -6.981 -11.162
  246    HE   ARG  34           HE       ARG  34   9.154  -5.938 -10.062
  247   HH11  ARG  34          HH11      ARG  34   7.942  -9.109  -9.160
  248   HH12  ARG  34          HH12      ARG  34   9.480  -9.665  -8.576
  249   HH21  ARG  34          HH21      ARG  34  11.165  -6.649  -9.277
  250   HH22  ARG  34          HH22      ARG  34  11.326  -8.281  -8.670
  251    H    PHE  35           HN       PHE  35   5.776  -5.025  -5.420
  252    HA   PHE  35           HA       PHE  35   7.045  -3.375  -3.560
  253    HB2  PHE  35           HB2      PHE  35   6.142  -6.238  -3.211
  254    HB3  PHE  35           HB1      PHE  35   6.486  -5.103  -1.907
  255    HD1  PHE  35           HD2      PHE  35   5.155  -2.873  -1.962
  256    HD2  PHE  35           HD1      PHE  35   3.989  -6.401  -4.031
  257    HE1  PHE  35           HE2      PHE  35   2.856  -2.014  -2.109
  258    HE2  PHE  35           HE1      PHE  35   1.688  -5.547  -4.193
  259    HZ   PHE  35           HZ       PHE  35   1.118  -3.352  -3.234
  260    H    GLU  36           HN       GLU  36   8.173  -6.361  -5.088
  261    HA   GLU  36           HA       GLU  36  10.544  -6.683  -3.626
  262    HB2  GLU  36           HB2      GLU  36   9.888  -7.374  -6.485
  263    HB3  GLU  36           HB1      GLU  36  11.420  -7.785  -5.731
  264    HG2  GLU  36           HG2      GLU  36   9.994  -8.966  -3.953
  265    HG3  GLU  36           HG1      GLU  36   8.684  -8.838  -5.129
  266    H    ASP  37           HN       ASP  37   9.724  -4.470  -6.210
  267    HA   ASP  37           HA       ASP  37  12.483  -3.913  -6.876
  268    HB2  ASP  37           HB2      ASP  37   9.961  -2.520  -7.811
  269    HB3  ASP  37           HB1      ASP  37  11.566  -2.315  -8.499
  270    H    ILE  38           HN       ILE  38   9.971  -2.531  -4.898
  271    HA   ILE  38           HA       ILE  38  11.500  -0.097  -4.490
  272    HB   ILE  38           HB       ILE  38   9.679   0.567  -2.946
  273   HG12  ILE  38          HG12      ILE  38   8.419  -2.046  -3.817
  274   HG13  ILE  38          HG11      ILE  38   8.998  -1.671  -2.198
  275   HG21  ILE  38          HG21      ILE  38   9.602   1.194  -5.288
  276   HG22  ILE  38          HG22      ILE  38   7.975   0.872  -4.689
  277   HG23  ILE  38          HG23      ILE  38   8.800  -0.325  -5.688
  278   HD11  ILE  38          HD11      ILE  38   6.731  -0.290  -3.618
  279   HD12  ILE  38          HD12      ILE  38   7.312   0.081  -1.995
  280   HD13  ILE  38          HD13      ILE  38   6.581  -1.488  -2.333
  281    H    GLY  39           HN       GLY  39  11.973  -3.073  -3.485
  282    HA2  GLY  39           HA2      GLY  39  13.242  -3.981  -1.820
  283    HA3  GLY  39           HA1      GLY  39  13.766  -2.343  -1.470
  284    H    TYR  40           HN       TYR  40  10.560  -3.886  -1.161
  285    HA   TYR  40           HA       TYR  40  10.702  -3.243   1.704
  286    HB2  TYR  40           HB2      TYR  40   8.493  -3.020  -0.263
  287    HB3  TYR  40           HB1      TYR  40   8.062  -3.549   1.362
  288    HD1  TYR  40           HD1      TYR  40   9.420  -0.767  -0.635
  289    HD2  TYR  40           HD2      TYR  40   8.229  -2.056   3.242
  290    HE1  TYR  40           HE1      TYR  40   9.472   1.559   0.152
  291    HE2  TYR  40           HE2      TYR  40   8.279   0.270   4.035
  292    HH   TYR  40           HH       TYR  40   9.239   2.383   3.479
  293    H    ASP  41           HN       ASP  41  10.939  -4.875   2.971
  294    HA   ASP  41           HA       ASP  41  10.749  -7.573   2.216
  295    HB2  ASP  41           HB2      ASP  41  10.800  -6.296   4.956
  296    HB3  ASP  41           HB1      ASP  41  10.932  -8.027   4.676
  297    H    SER  42           HN       SER  42   9.268  -9.169   2.718
  298    HA   SER  42           HA       SER  42   6.566  -8.672   2.520
  299    HB2  SER  42           HB2      SER  42   6.316 -11.011   3.451
  300    HB3  SER  42           HB1      SER  42   7.463 -10.874   2.110
  301    H    LEU  43           HN       LEU  43   8.486  -9.207   5.447
  302    HA   LEU  43           HA       LEU  43   6.491  -9.111   7.367
  303    HB2  LEU  43           HB2      LEU  43   8.843  -9.689   7.798
  304    HB3  LEU  43           HB1      LEU  43   9.297  -8.014   7.554
  305    HG   LEU  43           HG       LEU  43   7.809  -7.444   9.524
  306   HD11  LEU  43          HD11      LEU  43   6.491  -9.517   9.498
  307   HD12  LEU  43          HD12      LEU  43   7.249  -9.234  11.065
  308   HD13  LEU  43          HD13      LEU  43   7.929 -10.426   9.957
  309   HD21  LEU  43          HD21      LEU  43   9.489  -8.093  11.159
  310   HD22  LEU  43          HD22      LEU  43  10.257  -7.544   9.670
  311   HD23  LEU  43          HD23      LEU  43  10.159  -9.269  10.029
  312    H    ALA  44           HN       ALA  44   8.430  -6.411   6.102
  313    HA   ALA  44           HA       ALA  44   7.097  -4.394   7.566
  314    HB1  ALA  44           HB1      ALA  44   9.330  -4.098   6.591
  315    HB2  ALA  44           HB2      ALA  44   8.216  -2.832   6.076
  316    HB3  ALA  44           HB3      ALA  44   8.624  -4.148   4.975
  317    H    LEU  45           HN       LEU  45   6.449  -5.971   4.533
  318    HA   LEU  45           HA       LEU  45   4.681  -4.034   3.476
  319    HB2  LEU  45           HB2      LEU  45   5.858  -5.773   2.156
  320    HB3  LEU  45           HB1      LEU  45   4.807  -6.981   2.865
  321    HG   LEU  45           HG       LEU  45   2.871  -5.996   1.786
  322   HD11  LEU  45          HD11      LEU  45   4.803  -3.981   0.649
  323   HD12  LEU  45          HD12      LEU  45   3.550  -3.657   1.846
  324   HD13  LEU  45          HD13      LEU  45   3.103  -4.143   0.210
  325   HD21  LEU  45          HD21      LEU  45   4.145  -7.655   0.549
  326   HD22  LEU  45          HD22      LEU  45   5.178  -6.389  -0.112
  327   HD23  LEU  45          HD23      LEU  45   3.469  -6.449  -0.546
  328    H    MET  46           HN       MET  46   4.102  -7.031   5.335
  329    HA   MET  46           HA       MET  46   1.276  -6.771   5.226
  330    HB2  MET  46           HB2      MET  46   1.150  -8.513   6.865
  331    HB3  MET  46           HB1      MET  46   2.444  -8.915   5.748
  332    HG2  MET  46           HG2      MET  46   4.107  -8.371   7.336
  333    HG3  MET  46           HG1      MET  46   2.934  -7.597   8.401
  334    HE1  MET  46           HE1      MET  46   3.490  -8.877  10.577
  335    HE2  MET  46           HE2      MET  46   4.883  -9.543   9.726
  336    HE3  MET  46           HE3      MET  46   3.819 -10.609  10.643
  337    H    GLU  47           HN       GLU  47   3.736  -5.496   7.355
  338    HA   GLU  47           HA       GLU  47   2.010  -4.426   9.324
  339    HB2  GLU  47           HB2      GLU  47   4.780  -3.648   8.412
  340    HB3  GLU  47           HB1      GLU  47   3.951  -2.824   9.727
  341    HG2  GLU  47           HG2      GLU  47   4.573  -5.764   9.641
  342    HG3  GLU  47           HG1      GLU  47   5.511  -4.548  10.512
  343    H    THR  48           HN       THR  48   3.219  -3.218   6.255
  344    HA   THR  48           HA       THR  48   2.210  -0.592   6.414
  345    HB   THR  48           HB       THR  48   2.660  -2.271   3.935
  346    HG1  THR  48           HG1      THR  48   4.540  -2.071   5.280
  347   HG21  THR  48          HG21      THR  48   2.956  -0.113   2.809
  348   HG22  THR  48          HG22      THR  48   2.560   0.724   4.311
  349   HG23  THR  48          HG23      THR  48   1.341  -0.261   3.503
  350    H    ALA  49           HN       ALA  49   0.771  -3.627   5.334
  351    HA   ALA  49           HA       ALA  49  -1.546  -2.655   4.128
  352    HB1  ALA  49           HB1      ALA  49  -1.227  -5.187   5.730
  353    HB2  ALA  49           HB2      ALA  49  -0.829  -4.995   4.023
  354    HB3  ALA  49           HB3      ALA  49  -2.503  -4.852   4.562
  355    H    ALA  50           HN       ALA  50  -0.884  -3.410   7.510
  356    HA   ALA  50           HA       ALA  50  -3.488  -3.089   8.511
  357    HB1  ALA  50           HB1      ALA  50  -2.439  -2.940  10.707
  358    HB2  ALA  50           HB2      ALA  50  -0.866  -2.686   9.950
  359    HB3  ALA  50           HB3      ALA  50  -1.702  -4.226   9.750
  360    H    ARG  51           HN       ARG  51  -0.961  -0.831   7.760
  361    HA   ARG  51           HA       ARG  51  -1.814   1.420   9.185
  362    HB2  ARG  51           HB2      ARG  51  -0.442   1.190   6.506
  363    HB3  ARG  51           HB1      ARG  51  -0.665   2.704   7.359
  364    HG2  ARG  51           HG2      ARG  51   0.840   0.347   8.446
  365    HG3  ARG  51           HG1      ARG  51   1.580   1.724   7.631
  366    HD2  ARG  51           HD2      ARG  51   0.679   3.217   9.344
  367    HD3  ARG  51           HD1      ARG  51  -0.049   1.835  10.162
  368    HE   ARG  51           HE       ARG  51   2.676   1.325   9.849
  369   HH11  ARG  51          HH11      ARG  51   0.617   3.568  11.570
  370   HH12  ARG  51          HH12      ARG  51   1.704   3.726  12.916
  371   HH21  ARG  51          HH21      ARG  51   4.109   1.563  11.623
  372   HH22  ARG  51          HH22      ARG  51   3.669   2.597  12.939
  373    H    LEU  52           HN       LEU  52  -2.557   0.443   5.845
  374    HA   LEU  52           HA       LEU  52  -4.171   2.664   5.257
  375    HB2  LEU  52           HB2      LEU  52  -4.260  -0.088   4.024
  376    HB3  LEU  52           HB1      LEU  52  -4.940   1.373   3.333
  377    HG   LEU  52           HG       LEU  52  -2.002   0.887   3.831
  378   HD11  LEU  52          HD11      LEU  52  -2.890  -0.500   2.028
  379   HD12  LEU  52          HD12      LEU  52  -1.828   0.761   1.403
  380   HD13  LEU  52          HD13      LEU  52  -3.577   0.931   1.260
  381   HD21  LEU  52          HD21      LEU  52  -1.698   2.947   2.511
  382   HD22  LEU  52          HD22      LEU  52  -2.554   3.235   4.026
  383   HD23  LEU  52          HD23      LEU  52  -3.446   3.181   2.507
  384    H    GLU  53           HN       GLU  53  -4.996  -0.580   6.402
  385    HA   GLU  53           HA       GLU  53  -7.778  -0.309   6.278
  386    HB2  GLU  53           HB2      GLU  53  -6.076  -1.994   8.115
  387    HB3  GLU  53           HB1      GLU  53  -7.819  -2.160   7.940
  388    HG2  GLU  53           HG2      GLU  53  -7.540  -2.704   5.581
  389    HG3  GLU  53           HG1      GLU  53  -5.796  -2.522   5.747
  390    H    SER  54           HN       SER  54  -5.626   0.090   9.109
  391    HA   SER  54           HA       SER  54  -7.679   0.928  10.857
  392    HB2  SER  54           HB2      SER  54  -5.493   0.006  11.589
  393    HB3  SER  54           HB1      SER  54  -4.702   1.478  11.031
  394    HG   SER  54           HG       SER  54  -6.718   1.337  13.045
  395    H    ARG  55           HN       ARG  55  -5.662   2.650   8.599
  396    HA   ARG  55           HA       ARG  55  -5.897   5.247   9.711
  397    HB2  ARG  55           HB2      ARG  55  -4.142   4.400   8.121
  398    HB3  ARG  55           HB1      ARG  55  -5.339   4.475   6.845
  399    HG2  ARG  55           HG2      ARG  55  -5.402   6.824   6.899
  400    HG3  ARG  55           HG1      ARG  55  -4.528   6.891   8.436
  401    HD2  ARG  55           HD2      ARG  55  -2.532   6.037   7.413
  402    HD3  ARG  55           HD1      ARG  55  -3.381   5.722   5.906
  403    HE   ARG  55           HE       ARG  55  -3.624   8.236   5.782
  404   HH11  ARG  55          HH11      ARG  55  -1.034   6.747   7.606
  405   HH12  ARG  55          HH12      ARG  55   0.145   7.964   7.202
  406   HH21  ARG  55          HH21      ARG  55  -2.054   9.857   5.222
  407   HH22  ARG  55          HH22      ARG  55  -0.453   9.724   5.885
  408    H    TYR  56           HN       TYR  56  -7.769   3.496   7.255
  409    HA   TYR  56           HA       TYR  56  -9.545   5.845   7.082
  410    HB2  TYR  56           HB2      TYR  56  -8.944   3.775   4.967
  411    HB3  TYR  56           HB1      TYR  56 -10.123   5.075   4.800
  412    HD1  TYR  56           HD2      TYR  56  -9.255   7.483   5.075
  413    HD2  TYR  56           HD1      TYR  56  -6.709   4.145   4.379
  414    HE1  TYR  56           HE2      TYR  56  -7.477   9.000   4.319
  415    HE2  TYR  56           HE1      TYR  56  -4.922   5.658   3.628
  416    HH   TYR  56           HH       TYR  56  -4.703   7.939   2.713
  417    H    GLY  57           HN       GLY  57  -9.433   2.979   8.523
  418    HA2  GLY  57           HA2      GLY  57 -11.065   1.698   9.520
  419    HA3  GLY  57           HA1      GLY  57 -12.241   2.868   8.940
  420    H    VAL  58           HN       VAL  58 -10.022   0.960   6.962
  421    HA   VAL  58           HA       VAL  58 -12.375  -0.254   5.677
  422    HB   VAL  58           HB       VAL  58 -10.944  -0.657   3.705
  423   HG11  VAL  58          HG11      VAL  58 -10.793   1.660   2.947
  424   HG12  VAL  58          HG12      VAL  58 -10.982   2.216   4.611
  425   HG13  VAL  58          HG13      VAL  58 -12.300   1.358   3.811
  426   HG21  VAL  58          HG21      VAL  58  -8.760   0.428   3.522
  427   HG22  VAL  58          HG22      VAL  58  -8.773  -0.777   4.809
  428   HG23  VAL  58          HG23      VAL  58  -8.868   0.939   5.207
  429    H    SER  59           HN       SER  59 -11.295  -2.336   4.366
  430    HA   SER  59           HA       SER  59  -9.615  -3.918   6.090
  431    HB2  SER  59           HB2      SER  59 -11.340  -5.792   6.111
  432    HB3  SER  59           HB1      SER  59 -11.694  -4.421   7.160
  433    HG   SER  59           HG       SER  59 -12.703  -4.655   4.521
  434    H    ILE  60           HN       ILE  60  -8.325  -5.112   4.844
  435    HA   ILE  60           HA       ILE  60  -8.930  -5.239   1.987
  436    HB   ILE  60           HB       ILE  60  -6.398  -6.001   3.458
  437   HG12  ILE  60          HG12      ILE  60  -7.081  -3.495   1.896
  438   HG13  ILE  60          HG11      ILE  60  -6.939  -3.605   3.649
  439   HG21  ILE  60          HG21      ILE  60  -6.889  -5.610   0.504
  440   HG22  ILE  60          HG22      ILE  60  -6.639  -7.157   1.313
  441   HG23  ILE  60          HG23      ILE  60  -5.336  -5.972   1.263
  442   HD11  ILE  60          HD11      ILE  60  -4.723  -4.028   1.656
  443   HD12  ILE  60          HD12      ILE  60  -4.569  -4.189   3.406
  444   HD13  ILE  60          HD13      ILE  60  -4.952  -2.622   2.693
  445    HA   PRO  61           HA       PRO  61 -10.570  -9.350   2.208
  446    HB2  PRO  61           HB2      PRO  61  -9.336  -9.569  -0.496
  447    HB3  PRO  61           HB1      PRO  61 -10.986  -9.932   0.022
  448    HG2  PRO  61           HG2      PRO  61 -10.447  -7.715  -1.340
  449    HG3  PRO  61           HG1      PRO  61 -11.625  -7.708  -0.015
  450    HD2  PRO  61           HD2      PRO  61  -8.830  -6.660  -0.067
  451    HD3  PRO  61           HD1      PRO  61 -10.258  -6.032   0.781
  452    H    ASP  62           HN       ASP  62  -9.875 -11.272   2.808
  453    HA   ASP  62           HA       ASP  62  -7.320 -11.619   3.786
  454    HB2  ASP  62           HB2      ASP  62  -9.271 -12.839   4.593
  455    HB3  ASP  62           HB1      ASP  62  -9.370 -13.722   3.076
  456    H    ASP  63           HN       ASP  63  -8.691 -13.177   0.886
  457    HA   ASP  63           HA       ASP  63  -6.175 -14.406   0.242
  458    HB2  ASP  63           HB2      ASP  63  -8.236 -15.570  -0.300
  459    HB3  ASP  63           HB1      ASP  63  -8.766 -14.230  -1.311
  460    H    VAL  64           HN       VAL  64  -7.980 -11.601  -0.864
  461    HA   VAL  64           HA       VAL  64  -6.457 -11.225  -3.244
  462    HB   VAL  64           HB       VAL  64  -8.201  -9.226  -1.800
  463   HG11  VAL  64          HG11      VAL  64  -6.746  -8.179  -3.464
  464   HG12  VAL  64          HG12      VAL  64  -8.433  -8.146  -3.978
  465   HG13  VAL  64          HG13      VAL  64  -7.321  -9.316  -4.686
  466   HG21  VAL  64          HG21      VAL  64  -9.426 -11.265  -2.297
  467   HG22  VAL  64          HG22      VAL  64  -8.910 -11.176  -3.982
  468   HG23  VAL  64          HG23      VAL  64  -9.973  -9.935  -3.318
  469    H    ALA  65           HN       ALA  65  -5.928 -10.409   0.043
  470    HA   ALA  65           HA       ALA  65  -4.423  -8.064  -0.185
  471    HB1  ALA  65           HB1      ALA  65  -4.099 -10.261   1.848
  472    HB2  ALA  65           HB2      ALA  65  -5.234  -8.916   1.959
  473    HB3  ALA  65           HB3      ALA  65  -3.498  -8.608   1.999
  474    H    GLY  66           HN       GLY  66  -3.437 -11.435  -0.354
  475    HA2  GLY  66           HA2      GLY  66  -0.656 -10.634  -0.806
  476    HA3  GLY  66           HA1      GLY  66  -1.222 -12.263  -0.471
  477    H    ARG  67           HN       ARG  67  -2.626 -10.133  -2.894
  478    HA   ARG  67           HA       ARG  67  -1.372 -11.774  -4.986
  479    HB2  ARG  67           HB2      ARG  67  -4.304 -11.020  -4.949
  480    HB3  ARG  67           HB1      ARG  67  -3.483 -11.974  -6.177
  481    HG2  ARG  67           HG2      ARG  67  -3.010 -13.700  -4.489
  482    HG3  ARG  67           HG1      ARG  67  -3.914 -12.758  -3.304
  483    HD2  ARG  67           HD2      ARG  67  -5.436 -14.357  -4.069
  484    HD3  ARG  67           HD1      ARG  67  -5.859 -12.891  -4.948
  485    HE   ARG  67           HE       ARG  67  -4.334 -13.969  -6.752
  486   HH11  ARG  67          HH11      ARG  67  -6.555 -15.628  -4.615
  487   HH12  ARG  67          HH12      ARG  67  -6.810 -16.952  -5.714
  488   HH21  ARG  67          HH21      ARG  67  -4.669 -15.704  -8.210
  489   HH22  ARG  67          HH22      ARG  67  -5.758 -16.993  -7.767
  490    H    VAL  68           HN       VAL  68  -1.477  -8.851  -3.788
  491    HA   VAL  68           HA       VAL  68  -1.797  -7.411  -6.309
  492    HB   VAL  68           HB       VAL  68  -1.343  -5.369  -4.926
  493   HG11  VAL  68          HG11      VAL  68  -3.511  -5.418  -3.751
  494   HG12  VAL  68          HG12      VAL  68  -3.595  -7.158  -4.021
  495   HG13  VAL  68          HG13      VAL  68  -3.619  -6.051  -5.394
  496   HG21  VAL  68          HG21      VAL  68  -0.032  -6.418  -3.146
  497   HG22  VAL  68          HG22      VAL  68  -1.457  -7.314  -2.622
  498   HG23  VAL  68          HG23      VAL  68  -1.423  -5.556  -2.486
  499    H    ASP  69           HN       ASP  69  -0.111  -6.763  -7.535
  500    HA   ASP  69           HA       ASP  69   2.541  -7.615  -6.622
  501    HB2  ASP  69           HB2      ASP  69   1.556  -8.459  -8.784
  502    HB3  ASP  69           HB1      ASP  69   1.710  -6.822  -9.414
  503    H    THR  70           HN       THR  70   0.949  -4.816  -8.108
  504    HA   THR  70           HA       THR  70   3.234  -3.179  -7.228
  505    HB   THR  70           HB       THR  70   2.580  -1.564  -8.999
  506    HG1  THR  70           HG1      THR  70   0.771  -3.660  -9.721
  507   HG21  THR  70          HG21      THR  70   4.347  -3.204  -9.442
  508   HG22  THR  70          HG22      THR  70   3.416  -2.870 -10.904
  509   HG23  THR  70          HG23      THR  70   3.140  -4.360 -10.002
  510    HA   PRO  71           HA       PRO  71   0.736  -0.629  -4.530
  511    HB2  PRO  71           HB2      PRO  71   1.759   1.594  -6.254
  512    HB3  PRO  71           HB1      PRO  71   1.691   1.485  -4.491
  513    HG2  PRO  71           HG2      PRO  71   3.986   1.085  -5.749
  514    HG3  PRO  71           HG1      PRO  71   3.526   0.047  -4.387
  515    HD2  PRO  71           HD2      PRO  71   3.514  -0.546  -7.308
  516    HD3  PRO  71           HD1      PRO  71   3.852  -1.618  -5.936
  517    H    ARG  72           HN       ARG  72   0.647   0.109  -8.012
  518    HA   ARG  72           HA       ARG  72  -1.675   1.599  -8.175
  519    HB2  ARG  72           HB2      ARG  72  -0.269   1.212 -10.109
  520    HB3  ARG  72           HB1      ARG  72  -0.640  -0.500 -10.080
  521    HG2  ARG  72           HG2      ARG  72  -2.918  -0.094 -10.686
  522    HG3  ARG  72           HG1      ARG  72  -2.703   1.650 -10.524
  523    HD2  ARG  72           HD2      ARG  72  -1.193  -0.054 -12.488
  524    HD3  ARG  72           HD1      ARG  72  -2.689   0.793 -12.873
  525    HE   ARG  72           HE       ARG  72  -1.479   2.880 -12.269
  526   HH11  ARG  72          HH11      ARG  72   0.330   0.068 -13.427
  527   HH12  ARG  72          HH12      ARG  72   1.705   1.022 -13.893
  528   HH21  ARG  72          HH21      ARG  72   0.314   4.082 -12.940
  529   HH22  ARG  72          HH22      ARG  72   1.703   3.280 -13.608
  530    H    GLU  73           HN       GLU  73  -1.330  -1.911  -8.330
  531    HA   GLU  73           HA       GLU  73  -4.045  -2.556  -8.639
  532    HB2  GLU  73           HB2      GLU  73  -1.840  -4.152  -7.330
  533    HB3  GLU  73           HB1      GLU  73  -3.391  -4.799  -7.847
  534    HG2  GLU  73           HG2      GLU  73  -2.870  -4.625 -10.084
  535    HG3  GLU  73           HG1      GLU  73  -1.630  -3.398  -9.804
  536    H    LEU  74           HN       LEU  74  -2.025  -2.422  -5.732
  537    HA   LEU  74           HA       LEU  74  -3.931  -3.177  -3.846
  538    HB2  LEU  74           HB2      LEU  74  -1.308  -2.532  -3.774
  539    HB3  LEU  74           HB1      LEU  74  -1.989  -1.074  -3.081
  540    HG   LEU  74           HG       LEU  74  -2.426  -3.867  -2.007
  541   HD11  LEU  74          HD11      LEU  74  -0.653  -1.619  -1.070
  542   HD12  LEU  74          HD12      LEU  74  -0.140  -3.193  -1.678
  543   HD13  LEU  74          HD13      LEU  74  -1.002  -3.079  -0.143
  544   HD21  LEU  74          HD21      LEU  74  -3.166  -1.180  -0.854
  545   HD22  LEU  74          HD22      LEU  74  -3.418  -2.749  -0.089
  546   HD23  LEU  74          HD23      LEU  74  -4.296  -2.333  -1.562
  547    H    LEU  75           HN       LEU  75  -2.973   0.096  -4.873
  548    HA   LEU  75           HA       LEU  75  -4.845   1.537  -3.381
  549    HB2  LEU  75           HB2      LEU  75  -2.908   2.532  -4.494
  550    HB3  LEU  75           HB1      LEU  75  -3.617   2.182  -6.057
  551    HG   LEU  75           HG       LEU  75  -5.489   3.728  -5.509
  552   HD11  LEU  75          HD11      LEU  75  -5.248   5.270  -3.651
  553   HD12  LEU  75          HD12      LEU  75  -3.778   4.444  -3.136
  554   HD13  LEU  75          HD13      LEU  75  -5.330   3.607  -3.068
  555   HD21  LEU  75          HD21      LEU  75  -4.170   5.786  -5.799
  556   HD22  LEU  75          HD22      LEU  75  -3.648   4.489  -6.874
  557   HD23  LEU  75          HD23      LEU  75  -2.705   4.875  -5.434
  558    H    ASP  76           HN       ASP  76  -5.005   0.451  -6.755
  559    HA   ASP  76           HA       ASP  76  -7.435   1.617  -7.432
  560    HB2  ASP  76           HB2      ASP  76  -5.755   0.658  -9.011
  561    HB3  ASP  76           HB1      ASP  76  -6.296  -0.950  -8.542
  562    H    LEU  77           HN       LEU  77  -6.785  -1.613  -6.125
  563    HA   LEU  77           HA       LEU  77  -9.429  -2.566  -6.265
  564    HB2  LEU  77           HB2      LEU  77  -7.170  -3.322  -4.417
  565    HB3  LEU  77           HB1      LEU  77  -8.697  -4.183  -4.494
  566    HG   LEU  77           HG       LEU  77  -6.732  -3.895  -6.767
  567   HD11  LEU  77          HD11      LEU  77  -7.441  -6.280  -5.065
  568   HD12  LEU  77          HD12      LEU  77  -5.930  -5.376  -4.996
  569   HD13  LEU  77          HD13      LEU  77  -6.350  -6.284  -6.449
  570   HD21  LEU  77          HD21      LEU  77  -9.290  -5.480  -6.592
  571   HD22  LEU  77          HD22      LEU  77  -8.162  -5.463  -7.946
  572   HD23  LEU  77          HD23      LEU  77  -9.058  -4.003  -7.529
  573    H    ILE  78           HN       ILE  78  -7.697  -0.871  -3.665
  574    HA   ILE  78           HA       ILE  78  -9.851  -0.968  -1.822
  575    HB   ILE  78           HB       ILE  78  -7.588   1.037  -1.963
  576   HG12  ILE  78          HG12      ILE  78  -7.872  -1.531  -0.377
  577   HG13  ILE  78          HG11      ILE  78  -6.800  -1.282  -1.752
  578   HG21  ILE  78          HG21      ILE  78  -8.077   1.444   0.409
  579   HG22  ILE  78          HG22      ILE  78  -9.450   0.341   0.310
  580   HG23  ILE  78          HG23      ILE  78  -9.459   1.843  -0.615
  581   HD11  ILE  78          HD11      ILE  78  -5.594  -1.177   0.350
  582   HD12  ILE  78          HD12      ILE  78  -6.632   0.142   0.892
  583   HD13  ILE  78          HD13      ILE  78  -5.551   0.374  -0.482
  584    H    ASN  79           HN       ASN  79  -8.820   1.429  -4.230
  585    HA   ASN  79           HA       ASN  79 -10.781   3.380  -3.710
  586    HB2  ASN  79           HB2      ASN  79  -9.418   2.653  -6.311
  587    HB3  ASN  79           HB1      ASN  79 -10.455   4.058  -6.111
  588   HD21  ASN  79          HD21      ASN  79  -9.456   4.518  -3.363
  589   HD22  ASN  79          HD22      ASN  79  -7.889   5.215  -3.568
  590    H    GLY  80           HN       GLY  80 -10.880   0.432  -5.628
  591    HA2  GLY  80           HA2      GLY  80 -13.390   0.843  -6.846
  592    HA3  GLY  80           HA1      GLY  80 -12.637  -0.718  -6.561
  593    H    ALA  81           HN       ALA  81 -12.487  -0.546  -3.739
  594    HA   ALA  81           HA       ALA  81 -15.121  -1.396  -3.056
  595    HB1  ALA  81           HB1      ALA  81 -13.098  -2.385  -2.058
  596    HB2  ALA  81           HB2      ALA  81 -14.216  -1.781  -0.836
  597    HB3  ALA  81           HB3      ALA  81 -12.771  -0.857  -1.238
  598    H    LEU  82           HN       LEU  82 -13.240   1.515  -2.579
  599    HA   LEU  82           HA       LEU  82 -15.027   2.768  -0.766
  600    HB2  LEU  82           HB2      LEU  82 -12.931   3.930  -2.599
  601    HB3  LEU  82           HB1      LEU  82 -13.771   4.827  -1.345
  602    HG   LEU  82           HG       LEU  82 -12.015   2.422  -0.839
  603   HD11  LEU  82          HD11      LEU  82 -11.434   5.350  -0.432
  604   HD12  LEU  82          HD12      LEU  82 -10.705   4.310  -1.657
  605   HD13  LEU  82          HD13      LEU  82 -10.398   4.008   0.053
  606   HD21  LEU  82          HD21      LEU  82 -13.783   2.740   0.821
  607   HD22  LEU  82          HD22      LEU  82 -13.268   4.409   1.055
  608   HD23  LEU  82          HD23      LEU  82 -12.194   3.083   1.503
  609    H    ALA  83           HN       ALA  83 -14.671   2.808  -4.289
  610    HA   ALA  83           HA       ALA  83 -16.710   4.726  -4.785
  611    HB1  ALA  83           HB1      ALA  83 -15.740   2.509  -6.590
  612    HB2  ALA  83           HB2      ALA  83 -15.006   4.107  -6.455
  613    HB3  ALA  83           HB3      ALA  83 -16.646   3.939  -7.085
  614    H    GLU  84           HN       GLU  84 -16.696   1.261  -4.290
  615    HA   GLU  84           HA       GLU  84 -19.413   0.796  -5.008
  616    HB2  GLU  84           HB2      GLU  84 -17.528  -0.916  -4.820
  617    HB3  GLU  84           HB1      GLU  84 -17.749  -0.833  -3.078
  618    HG2  GLU  84           HG2      GLU  84 -19.802  -1.878  -3.159
  619    HG3  GLU  84           HG1      GLU  84 -20.070  -1.445  -4.850
  620    H    ALA  85           HN       ALA  85 -17.762   1.085  -1.877
  621    HA   ALA  85           HA       ALA  85 -18.291   2.210   0.007
  622    HB1  ALA  85           HB1      ALA  85 -20.677   3.281  -1.480
  623    HB2  ALA  85           HB2      ALA  85 -19.062   3.987  -1.505
  624    HB3  ALA  85           HB3      ALA  85 -19.973   3.929   0.003
  625    H    ALA  86           HN       ALA  86 -21.611   1.515  -1.125
  626    HA   ALA  86           HA       ALA  86 -21.996   0.061   1.400
  627    HB1  ALA  86           HB1      ALA  86 -22.870   2.338   1.630
  628    HB2  ALA  86           HB2      ALA  86 -24.157   1.135   1.695
  629    HB3  ALA  86           HB3      ALA  86 -23.907   2.076   0.226
  630    H28  SXO  87          H28B      SXO  87   6.406 -11.920   5.646
  631   H28A  SXO  87          H28A      SXO  87   7.475 -13.078   6.438
  632    H30  SXO  87          H30A      SXO  87   4.627 -12.170   7.066
  633   H30A  SXO  87          H30C      SXO  87   3.953 -13.741   7.509
  634   H30B  SXO  87          H30B      SXO  87   5.547 -13.270   8.098
  635    H31  SXO  87          H31A      SXO  87   4.196 -12.830   4.655
  636   H31A  SXO  87          H31B      SXO  87   3.625 -14.419   5.167
  637   H31B  SXO  87          H31C      SXO  87   4.953 -14.288   4.011
  638    H32  SXO  87          H32A      SXO  87   6.491 -15.297   7.297
  639   HO33  SXO  87          H33A      SXO  87   6.467 -16.523   4.895
  640   HN36  SXO  87          H36A      SXO  87   4.060 -15.365   8.032
  641    H37  SXO  87          H37A      SXO  87   3.059 -17.994   7.393
  642   H37A  SXO  87          H37B      SXO  87   2.466 -16.909   8.650
  643    H38  SXO  87          H38B      SXO  87   0.841 -17.383   6.816
  644   H38A  SXO  87          H38A      SXO  87   1.930 -16.559   5.705
  645   HN41  SXO  87          H41A      SXO  87  -0.129 -15.392   5.422
  646    H42  SXO  87          H42A      SXO  87  -1.451 -13.730   7.111
  647   H42A  SXO  87          H42B      SXO  87  -0.006 -12.815   6.675
  648    H43  SXO  87          H43B      SXO  87  -1.957 -13.999   4.703
  649   H43A  SXO  87          H43A      SXO  87  -1.922 -12.304   5.208
  650    H2   SXO  87           H2A      SXO  87   1.772 -11.265   2.845
  651    H2A  SXO  87           H2B      SXO  87   2.024 -10.020   4.073
  652    H3   SXO  87           H3B      SXO  87  -0.146 -10.070   1.980
  653    H3A  SXO  87           H3A      SXO  87   0.018  -8.847   3.238
  654    H4   SXO  87           H4A      SXO  87   2.092  -9.453   1.137
  655    H4A  SXO  87           H4B      SXO  87   2.167  -8.171   2.348
  656    H5   SXO  87           H5B      SXO  87   1.471  -7.268   0.201
  657    H5A  SXO  87           H5A      SXO  87   0.141  -8.424   0.125
  658    H6   SXO  87           H6A      SXO  87   0.486  -6.253   2.198
  659    H6A  SXO  87           H6B      SXO  87  -0.838  -7.417   2.136
  660    H7   SXO  87           H7A      SXO  87  -1.461  -6.541  -0.091
  661    H7A  SXO  87           H7B      SXO  87  -0.196  -5.310   0.067
  662    H8   SXO  87           H8C      SXO  87  -2.544  -5.690   1.917
  663    H8A  SXO  87           H8A      SXO  87  -2.384  -4.427   0.697
  664    H8B  SXO  87           H8B      SXO  87  -1.290  -4.463   2.079
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1 -16.307  10.740  -2.284
    2    H2   MET   1           HT2      MET   1 -17.908  10.808  -2.851
    3    H3   MET   1           HT3      MET   1 -17.363   9.448  -2.014
    4    HA   MET   1           HA       MET   1 -17.531  12.158  -0.848
    5    HB2  MET   1           HB2      MET   1 -19.769  11.318  -1.351
    6    HB3  MET   1           HB1      MET   1 -19.398   9.796  -0.555
    7    HG2  MET   1           HG2      MET   1 -19.134  10.993   1.573
    8    HG3  MET   1           HG1      MET   1 -19.573  12.498   0.763
    9    HE1  MET   1           HE1      MET   1 -22.692  11.590   3.025
   10    HE2  MET   1           HE2      MET   1 -21.467  12.811   2.677
   11    HE3  MET   1           HE3      MET   1 -20.995  11.267   3.383
   12    H    ALA   2           HN       ALA   2 -17.069   8.665  -0.375
   13    HA   ALA   2           HA       ALA   2 -16.320   8.858   2.357
   14    HB1  ALA   2           HB1      ALA   2 -17.149   6.778   1.372
   15    HB2  ALA   2           HB2      ALA   2 -15.566   6.552   2.115
   16    HB3  ALA   2           HB3      ALA   2 -15.708   6.682   0.362
   17    H    THR   3           HN       THR   3 -14.190   8.396   3.234
   18    HA   THR   3           HA       THR   3 -12.157   9.961   1.990
   19    HB   THR   3           HB       THR   3 -12.329   9.996   4.388
   20    HG1  THR   3           HG1      THR   3 -10.089   9.538   3.114
   21   HG21  THR   3          HG21      THR   3 -11.758   7.034   4.316
   22   HG22  THR   3          HG22      THR   3 -13.271   7.799   4.800
   23   HG23  THR   3          HG23      THR   3 -11.821   8.026   5.776
   24    H    LEU   4           HN       LEU   4 -11.163   9.224   0.252
   25    HA   LEU   4           HA       LEU   4 -10.723   6.393  -0.160
   26    HB2  LEU   4           HB2      LEU   4  -9.961   8.757  -1.879
   27    HB3  LEU   4           HB1      LEU   4  -9.830   7.074  -2.348
   28    HG   LEU   4           HG       LEU   4 -12.391   8.572  -1.799
   29   HD11  LEU   4          HD11      LEU   4 -11.234   7.447  -4.342
   30   HD12  LEU   4          HD12      LEU   4 -11.320   9.156  -3.913
   31   HD13  LEU   4          HD13      LEU   4 -12.803   8.235  -4.176
   32   HD21  LEU   4          HD21      LEU   4 -13.512   6.528  -2.551
   33   HD22  LEU   4          HD22      LEU   4 -12.579   6.252  -1.079
   34   HD23  LEU   4          HD23      LEU   4 -11.953   5.708  -2.635
   35    H    LEU   5           HN       LEU   5  -8.597   5.611  -0.909
   36    HA   LEU   5           HA       LEU   5  -6.428   6.644   0.737
   37    HB2  LEU   5           HB2      LEU   5  -7.064   4.141   0.159
   38    HB3  LEU   5           HB1      LEU   5  -6.144   4.451  -1.298
   39    HG   LEU   5           HG       LEU   5  -5.070   4.675   1.517
   40   HD11  LEU   5          HD11      LEU   5  -5.556   2.381   0.961
   41   HD12  LEU   5          HD12      LEU   5  -3.814   2.645   0.934
   42   HD13  LEU   5          HD13      LEU   5  -4.711   2.543  -0.580
   43   HD21  LEU   5          HD21      LEU   5  -3.607   4.781  -1.120
   44   HD22  LEU   5          HD22      LEU   5  -2.893   4.895   0.489
   45   HD23  LEU   5          HD23      LEU   5  -3.957   6.173  -0.097
   46    H    THR   6           HN       THR   6  -5.073   8.171  -0.060
   47    HA   THR   6           HA       THR   6  -5.082   8.603  -2.954
   48    HB   THR   6           HB       THR   6  -3.915  10.843  -1.921
   49    HG1  THR   6           HG1      THR   6  -4.331  10.691   0.188
   50   HG21  THR   6          HG21      THR   6  -6.856  10.301  -2.334
   51   HG22  THR   6          HG22      THR   6  -5.701  10.777  -3.579
   52   HG23  THR   6          HG23      THR   6  -6.107  11.898  -2.279
   53    H    THR   7           HN       THR   7  -3.088   9.458  -3.927
   54    HA   THR   7           HA       THR   7  -1.070   7.562  -3.753
   55    HB   THR   7           HB       THR   7   0.215   9.489  -5.076
   56    HG1  THR   7           HG1      THR   7  -1.048  11.217  -5.063
   57   HG21  THR   7          HG21      THR   7  -2.193   8.003  -6.131
   58   HG22  THR   7          HG22      THR   7  -0.553   7.360  -6.022
   59   HG23  THR   7          HG23      THR   7  -0.909   8.703  -7.112
   60    H    ASP   8           HN       ASP   8  -0.975  10.962  -2.617
   61    HA   ASP   8           HA       ASP   8   1.664  10.891  -1.664
   62    HB2  ASP   8           HB2      ASP   8   0.579  13.011  -1.883
   63    HB3  ASP   8           HB1      ASP   8  -0.706  12.536  -0.776
   64    H    ASP   9           HN       ASP   9  -1.368  10.165  -0.020
   65    HA   ASP   9           HA       ASP   9  -0.255   9.718   2.533
   66    HB2  ASP   9           HB2      ASP   9  -2.806   8.605   1.350
   67    HB3  ASP   9           HB1      ASP   9  -2.391   8.630   3.064
   68    H    LEU  10           HN       LEU  10  -0.776   7.629  -0.239
   69    HA   LEU  10           HA       LEU  10   0.000   5.207   1.025
   70    HB2  LEU  10           HB2      LEU  10  -1.227   5.298  -1.118
   71    HB3  LEU  10           HB1      LEU  10   0.186   5.996  -1.885
   72    HG   LEU  10           HG       LEU  10   1.447   3.927  -1.444
   73   HD11  LEU  10          HD11      LEU  10   0.250   1.926  -0.675
   74   HD12  LEU  10          HD12      LEU  10  -1.182   2.910  -0.371
   75   HD13  LEU  10          HD13      LEU  10   0.292   3.185   0.560
   76   HD21  LEU  10          HD21      LEU  10   0.305   2.526  -3.078
   77   HD22  LEU  10          HD22      LEU  10   0.262   4.221  -3.568
   78   HD23  LEU  10          HD23      LEU  10  -1.171   3.467  -2.869
   79    H    ARG  11           HN       ARG  11   1.744   7.643  -0.862
   80    HA   ARG  11           HA       ARG  11   4.293   6.540  -0.850
   81    HB2  ARG  11           HB2      ARG  11   3.827   8.489  -2.161
   82    HB3  ARG  11           HB1      ARG  11   3.360   9.407  -0.737
   83    HG2  ARG  11           HG2      ARG  11   5.625   9.485   0.035
   84    HG3  ARG  11           HG1      ARG  11   6.146   8.388  -1.246
   85    HD2  ARG  11           HD2      ARG  11   6.719  10.706  -1.771
   86    HD3  ARG  11           HD1      ARG  11   5.563  10.051  -2.929
   87    HE   ARG  11           HE       ARG  11   4.217  11.424  -0.841
   88   HH11  ARG  11          HH11      ARG  11   6.148  11.997  -3.720
   89   HH12  ARG  11          HH12      ARG  11   5.433  13.557  -4.032
   90   HH21  ARG  11          HH21      ARG  11   3.290  13.485  -1.260
   91   HH22  ARG  11          HH22      ARG  11   3.826  14.388  -2.655
   92    H    ARG  12           HN       ARG  12   2.685   8.523   1.603
   93    HA   ARG  12           HA       ARG  12   4.912   8.674   3.363
   94    HB2  ARG  12           HB2      ARG  12   1.957   9.030   3.867
   95    HB3  ARG  12           HB1      ARG  12   3.207   9.381   5.051
   96    HG2  ARG  12           HG2      ARG  12   4.126  11.096   3.585
   97    HG3  ARG  12           HG1      ARG  12   2.890  10.729   2.377
   98    HD2  ARG  12           HD2      ARG  12   2.339  12.703   3.774
   99    HD3  ARG  12           HD1      ARG  12   1.141  11.415   3.882
  100    HE   ARG  12           HE       ARG  12   3.201  11.395   5.932
  101   HH11  ARG  12          HH11      ARG  12  -0.035  12.431   5.035
  102   HH12  ARG  12          HH12      ARG  12  -0.567  12.577   6.686
  103   HH21  ARG  12          HH21      ARG  12   2.506  11.616   8.078
  104   HH22  ARG  12          HH22      ARG  12   0.891  12.149   8.417
  105    H    ALA  13           HN       ALA  13   2.360   6.338   2.917
  106    HA   ALA  13           HA       ALA  13   2.246   5.260   5.492
  107    HB1  ALA  13           HB1      ALA  13   1.099   3.372   4.483
  108    HB2  ALA  13           HB2      ALA  13   1.650   3.877   2.886
  109    HB3  ALA  13           HB3      ALA  13   0.528   4.892   3.793
  110    H    LEU  14           HN       LEU  14   4.163   4.213   2.683
  111    HA   LEU  14           HA       LEU  14   5.277   1.937   3.913
  112    HB2  LEU  14           HB2      LEU  14   6.168   3.648   1.609
  113    HB3  LEU  14           HB1      LEU  14   7.134   2.298   2.162
  114    HG   LEU  14           HG       LEU  14   5.877   1.583   0.270
  115   HD11  LEU  14          HD11      LEU  14   4.615   0.507   2.781
  116   HD12  LEU  14          HD12      LEU  14   6.109  -0.059   2.033
  117   HD13  LEU  14          HD13      LEU  14   4.571  -0.262   1.193
  118   HD21  LEU  14          HD21      LEU  14   4.139   3.267   0.276
  119   HD22  LEU  14          HD22      LEU  14   3.414   2.541   1.709
  120   HD23  LEU  14          HD23      LEU  14   3.434   1.653   0.186
  121    H    VAL  15           HN       VAL  15   6.288   5.310   3.819
  122    HA   VAL  15           HA       VAL  15   8.849   4.908   5.000
  123    HB   VAL  15           HB       VAL  15   7.165   7.420   4.937
  124   HG11  VAL  15          HG11      VAL  15   9.300   8.599   5.204
  125   HG12  VAL  15          HG12      VAL  15  10.134   7.052   5.352
  126   HG13  VAL  15          HG13      VAL  15   8.963   7.546   6.576
  127   HG21  VAL  15          HG21      VAL  15   9.256   6.427   3.001
  128   HG22  VAL  15          HG22      VAL  15   8.497   8.019   2.953
  129   HG23  VAL  15          HG23      VAL  15   7.526   6.569   2.693
  130    H    GLU  16           HN       GLU  16   5.696   5.944   6.277
  131    HA   GLU  16           HA       GLU  16   6.558   6.351   8.933
  132    HB2  GLU  16           HB2      GLU  16   3.801   5.711   7.873
  133    HB3  GLU  16           HB1      GLU  16   4.146   6.253   9.510
  134    HG2  GLU  16           HG2      GLU  16   5.038   8.348   8.633
  135    HG3  GLU  16           HG1      GLU  16   4.698   7.804   6.992
  136    H    SER  17           HN       SER  17   5.503   3.481   7.224
  137    HA   SER  17           HA       SER  17   5.177   1.928   9.620
  138    HB2  SER  17           HB2      SER  17   5.369   1.009   6.744
  139    HB3  SER  17           HB1      SER  17   4.791   0.050   8.109
  140    HG   SER  17           HG       SER  17   3.595   2.281   6.862
  141    H    ALA  18           HN       ALA  18   7.673   2.289   7.144
  142    HA   ALA  18           HA       ALA  18   9.354   0.228   8.156
  143    HB1  ALA  18           HB1      ALA  18  11.057   1.145   6.696
  144    HB2  ALA  18           HB2      ALA  18  10.112   2.618   6.482
  145    HB3  ALA  18           HB3      ALA  18   9.509   1.087   5.849
  146    H    GLY  19           HN       GLY  19   8.928   3.617   8.855
  147    HA2  GLY  19           HA2      GLY  19   9.438   4.550  10.963
  148    HA3  GLY  19           HA1      GLY  19  10.612   3.267  11.224
  149    H    GLU  20           HN       GLU  20   9.995   6.012   9.075
  150    HA   GLU  20           HA       GLU  20  11.308   7.679   8.280
  151    HB2  GLU  20           HB2      GLU  20  11.750   8.015  10.722
  152    HB3  GLU  20           HB1      GLU  20  13.162   6.980  10.573
  153    HG2  GLU  20           HG2      GLU  20  13.827   9.288  10.560
  154    HG3  GLU  20           HG1      GLU  20  14.138   8.567   8.981
  155    H    THR  21           HN       THR  21  11.743   6.494   6.357
  156    HA   THR  21           HA       THR  21  14.528   5.628   6.106
  157    HB   THR  21           HB       THR  21  13.718   3.719   4.640
  158    HG1  THR  21           HG1      THR  21  11.561   4.351   4.425
  159   HG21  THR  21          HG21      THR  21  14.658   3.309   6.856
  160   HG22  THR  21          HG22      THR  21  13.323   2.199   6.542
  161   HG23  THR  21          HG23      THR  21  13.084   3.596   7.593
  162    H    ASP  22           HN       ASP  22  14.640   7.736   5.028
  163    HA   ASP  22           HA       ASP  22  13.359   7.900   2.421
  164    HB2  ASP  22           HB2      ASP  22  14.304  10.075   2.229
  165    HB3  ASP  22           HB1      ASP  22  13.807   9.928   3.912
  166    H    GLY  23           HN       GLY  23  14.729   8.244   0.467
  167    HA2  GLY  23           HA2      GLY  23  17.091   8.068  -0.358
  168    HA3  GLY  23           HA1      GLY  23  17.190   6.619   0.633
  169    H    THR  24           HN       THR  24  15.052   5.193   0.122
  170    HA   THR  24           HA       THR  24  15.418   4.117  -2.441
  171    HB   THR  24           HB       THR  24  12.927   3.801  -0.751
  172    HG1  THR  24           HG1      THR  24  14.631   1.814  -0.311
  173   HG21  THR  24          HG21      THR  24  12.863   2.824  -3.020
  174   HG22  THR  24          HG22      THR  24  12.825   1.585  -1.766
  175   HG23  THR  24          HG23      THR  24  14.319   1.900  -2.648
  176    H    ASP  25           HN       ASP  25  14.133   4.232  -4.312
  177    HA   ASP  25           HA       ASP  25  12.930   6.752  -4.827
  178    HB2  ASP  25           HB2      ASP  25  13.014   4.211  -6.456
  179    HB3  ASP  25           HB1      ASP  25  12.295   5.711  -7.031
  180    H    LEU  26           HN       LEU  26  11.363   6.850  -3.221
  181    HA   LEU  26           HA       LEU  26   8.825   5.580  -4.003
  182    HB2  LEU  26           HB2      LEU  26   9.764   4.521  -1.963
  183    HB3  LEU  26           HB1      LEU  26   9.800   6.090  -1.184
  184    HG   LEU  26           HG       LEU  26   7.282   6.160  -1.474
  185   HD11  LEU  26          HD11      LEU  26   6.182   3.965  -1.712
  186   HD12  LEU  26          HD12      LEU  26   7.740   3.261  -2.147
  187   HD13  LEU  26          HD13      LEU  26   7.007   4.490  -3.179
  188   HD21  LEU  26          HD21      LEU  26   8.376   5.688   0.655
  189   HD22  LEU  26          HD22      LEU  26   8.464   3.977   0.236
  190   HD23  LEU  26          HD23      LEU  26   6.895   4.749   0.474
  191    H    SER  27           HN       SER  27  10.541   8.326  -3.797
  192    HA   SER  27           HA       SER  27   8.647  10.027  -2.434
  193    HB2  SER  27           HB2      SER  27  11.143  10.813  -3.956
  194    HB3  SER  27           HB1      SER  27  10.277  11.781  -2.761
  195    HG   SER  27           HG       SER  27  11.628  10.895  -1.410
  196    H    GLY  28           HN       GLY  28   9.878   9.643  -5.753
  197    HA2  GLY  28           HA2      GLY  28   7.831  11.559  -6.644
  198    HA3  GLY  28           HA1      GLY  28   9.268  11.111  -7.546
  199    H    ASP  29           HN       ASP  29   8.803   8.214  -6.977
  200    HA   ASP  29           HA       ASP  29   6.431   7.707  -8.604
  201    HB2  ASP  29           HB2      ASP  29   8.776   8.118  -9.906
  202    HB3  ASP  29           HB1      ASP  29   8.887   6.387  -9.597
  203    H    PHE  30           HN       PHE  30   5.679   5.554  -8.425
  204    HA   PHE  30           HA       PHE  30   7.206   3.508  -7.185
  205    HB2  PHE  30           HB2      PHE  30   5.874   3.370  -5.054
  206    HB3  PHE  30           HB1      PHE  30   6.994   4.723  -5.154
  207    HD1  PHE  30           HD2      PHE  30   6.173   7.012  -5.331
  208    HD2  PHE  30           HD1      PHE  30   3.487   3.724  -5.056
  209    HE1  PHE  30           HE2      PHE  30   4.330   8.557  -4.802
  210    HE2  PHE  30           HE1      PHE  30   1.642   5.265  -4.542
  211    HZ   PHE  30           HZ       PHE  30   2.084   7.707  -4.388
  212    H    LEU  31           HN       LEU  31   4.116   4.694  -8.294
  213    HA   LEU  31           HA       LEU  31   2.441   2.646  -7.460
  214    HB2  LEU  31           HB2      LEU  31   2.262   4.493  -9.808
  215    HB3  LEU  31           HB1      LEU  31   1.022   3.302  -9.472
  216    HG   LEU  31           HG       LEU  31   1.862   5.538  -7.624
  217   HD11  LEU  31          HD11      LEU  31  -0.645   5.125  -9.238
  218   HD12  LEU  31          HD12      LEU  31   0.609   6.328  -9.546
  219   HD13  LEU  31          HD13      LEU  31  -0.367   6.426  -8.079
  220   HD21  LEU  31          HD21      LEU  31  -0.234   3.392  -7.329
  221   HD22  LEU  31          HD22      LEU  31  -0.138   4.833  -6.319
  222   HD23  LEU  31          HD23      LEU  31   1.177   3.660  -6.306
  223    H    ASP  32           HN       ASP  32   4.584   2.632 -10.262
  224    HA   ASP  32           HA       ASP  32   3.366   0.090 -11.107
  225    HB2  ASP  32           HB2      ASP  32   4.406   0.387 -13.245
  226    HB3  ASP  32           HB1      ASP  32   3.614   1.898 -12.813
  227    H    LEU  33           HN       LEU  33   5.710   0.986  -9.071
  228    HA   LEU  33           HA       LEU  33   7.663  -1.015  -9.884
  229    HB2  LEU  33           HB2      LEU  33   7.590   0.855  -7.515
  230    HB3  LEU  33           HB1      LEU  33   8.888  -0.275  -7.843
  231    HG   LEU  33           HG       LEU  33   8.088   2.000  -9.661
  232   HD11  LEU  33          HD11      LEU  33   9.041   2.843  -7.605
  233   HD12  LEU  33          HD12      LEU  33  10.194   3.027  -8.926
  234   HD13  LEU  33          HD13      LEU  33  10.402   1.729  -7.749
  235   HD21  LEU  33          HD21      LEU  33   9.059   0.137 -10.880
  236   HD22  LEU  33          HD22      LEU  33  10.416   0.081  -9.757
  237   HD23  LEU  33          HD23      LEU  33  10.203   1.479 -10.810
  238    H    ARG  34           HN       ARG  34   7.780  -3.018  -9.073
  239    HA   ARG  34           HA       ARG  34   5.640  -4.034  -7.492
  240    HB2  ARG  34           HB2      ARG  34   8.254  -5.310  -8.321
  241    HB3  ARG  34           HB1      ARG  34   6.908  -6.167  -7.585
  242    HG2  ARG  34           HG2      ARG  34   5.512  -5.715  -9.487
  243    HG3  ARG  34           HG1      ARG  34   6.760  -4.695 -10.204
  244    HD2  ARG  34           HD2      ARG  34   6.775  -6.859 -11.267
  245    HD3  ARG  34           HD1      ARG  34   8.250  -6.644 -10.329
  246    HE   ARG  34           HE       ARG  34   6.264  -7.978  -8.791
  247   HH11  ARG  34          HH11      ARG  34   8.617  -8.457 -11.337
  248   HH12  ARG  34          HH12      ARG  34   8.702 -10.176 -11.124
  249   HH21  ARG  34          HH21      ARG  34   6.438 -10.226  -8.431
  250   HH22  ARG  34          HH22      ARG  34   7.496 -11.186  -9.416
  251    H    PHE  35           HN       PHE  35   5.587  -4.621  -5.362
  252    HA   PHE  35           HA       PHE  35   7.151  -3.313  -3.471
  253    HB2  PHE  35           HB2      PHE  35   5.609  -5.897  -3.154
  254    HB3  PHE  35           HB1      PHE  35   6.234  -4.927  -1.823
  255    HD1  PHE  35           HD2      PHE  35   5.549  -2.288  -2.175
  256    HD2  PHE  35           HD1      PHE  35   3.354  -5.693  -3.497
  257    HE1  PHE  35           HE2      PHE  35   3.482  -0.950  -2.186
  258    HE2  PHE  35           HE1      PHE  35   1.290  -4.355  -3.511
  259    HZ   PHE  35           HZ       PHE  35   1.338  -2.000  -2.812
  260    H    GLU  36           HN       GLU  36   7.517  -6.546  -4.827
  261    HA   GLU  36           HA       GLU  36   9.681  -7.440  -3.301
  262    HB2  GLU  36           HB2      GLU  36   8.924  -7.993  -6.173
  263    HB3  GLU  36           HB1      GLU  36  10.236  -8.824  -5.354
  264    HG2  GLU  36           HG2      GLU  36   7.385  -8.827  -4.407
  265    HG3  GLU  36           HG1      GLU  36   8.096 -10.077  -5.429
  266    H    ASP  37           HN       ASP  37   9.580  -5.256  -6.048
  267    HA   ASP  37           HA       ASP  37  12.444  -5.418  -6.448
  268    HB2  ASP  37           HB2      ASP  37  10.213  -4.017  -7.885
  269    HB3  ASP  37           HB1      ASP  37  11.887  -3.566  -8.190
  270    H    ILE  38           HN       ILE  38  10.269  -3.419  -4.691
  271    HA   ILE  38           HA       ILE  38  12.290  -1.321  -4.475
  272    HB   ILE  38           HB       ILE  38  10.588  -0.112  -3.096
  273   HG12  ILE  38          HG12      ILE  38   8.765  -2.335  -4.056
  274   HG13  ILE  38          HG11      ILE  38   9.272  -2.080  -2.390
  275   HG21  ILE  38          HG21      ILE  38  10.921   0.394  -5.434
  276   HG22  ILE  38          HG22      ILE  38   9.206   0.506  -5.035
  277   HG23  ILE  38          HG23      ILE  38   9.821  -0.903  -5.901
  278   HD11  ILE  38          HD11      ILE  38   8.122   0.072  -2.371
  279   HD12  ILE  38          HD12      ILE  38   7.023  -1.252  -2.762
  280   HD13  ILE  38          HD13      ILE  38   7.616  -0.189  -4.038
  281    H    GLY  39           HN       GLY  39  12.086  -4.180  -3.181
  282    HA2  GLY  39           HA2      GLY  39  13.155  -5.115  -1.380
  283    HA3  GLY  39           HA1      GLY  39  13.793  -3.522  -1.025
  284    H    TYR  40           HN       TYR  40  10.453  -4.797  -1.014
  285    HA   TYR  40           HA       TYR  40  10.342  -4.065   1.837
  286    HB2  TYR  40           HB2      TYR  40   8.364  -3.660  -0.354
  287    HB3  TYR  40           HB1      TYR  40   7.758  -3.984   1.268
  288    HD1  TYR  40           HD1      TYR  40   9.634  -1.608  -0.818
  289    HD2  TYR  40           HD2      TYR  40   8.003  -2.371   3.029
  290    HE1  TYR  40           HE1      TYR  40   9.962   0.753  -0.220
  291    HE2  TYR  40           HE2      TYR  40   8.324  -0.011   3.642
  292    HH   TYR  40           HH       TYR  40   9.706   1.891   2.977
  293    H    ASP  41           HN       ASP  41  10.326  -5.742   3.081
  294    HA   ASP  41           HA       ASP  41   9.846  -8.390   2.259
  295    HB2  ASP  41           HB2      ASP  41   9.750  -7.316   5.089
  296    HB3  ASP  41           HB1      ASP  41  10.032  -8.983   4.604
  297    H    SER  42           HN       SER  42   8.175  -9.814   2.843
  298    HA   SER  42           HA       SER  42   5.571  -8.977   2.469
  299    HB2  SER  42           HB2      SER  42   4.964 -11.225   3.479
  300    HB3  SER  42           HB1      SER  42   6.126 -11.277   2.147
  301    H    LEU  43           HN       LEU  43   7.267  -9.566   5.530
  302    HA   LEU  43           HA       LEU  43   5.051  -9.108   7.209
  303    HB2  LEU  43           HB2      LEU  43   7.115 -10.222   7.957
  304    HB3  LEU  43           HB1      LEU  43   7.983  -8.706   7.807
  305    HG   LEU  43           HG       LEU  43   6.509  -7.733   9.560
  306   HD11  LEU  43          HD11      LEU  43   4.578  -9.179   9.268
  307   HD12  LEU  43          HD12      LEU  43   5.161  -9.252  10.932
  308   HD13  LEU  43          HD13      LEU  43   5.518 -10.568   9.814
  309   HD21  LEU  43          HD21      LEU  43   8.696  -8.612  10.145
  310   HD22  LEU  43          HD22      LEU  43   8.011 -10.226  10.340
  311   HD23  LEU  43          HD23      LEU  43   7.534  -8.929  11.434
  312    H    ALA  44           HN       ALA  44   7.635  -6.936   6.088
  313    HA   ALA  44           HA       ALA  44   6.711  -4.640   7.437
  314    HB1  ALA  44           HB1      ALA  44   8.116  -3.386   5.877
  315    HB2  ALA  44           HB2      ALA  44   8.297  -4.832   4.884
  316    HB3  ALA  44           HB3      ALA  44   8.958  -4.798   6.517
  317    H    LEU  45           HN       LEU  45   5.768  -6.178   4.477
  318    HA   LEU  45           HA       LEU  45   4.302  -4.009   3.382
  319    HB2  LEU  45           HB2      LEU  45   5.140  -5.993   2.114
  320    HB3  LEU  45           HB1      LEU  45   3.911  -6.962   2.898
  321    HG   LEU  45           HG       LEU  45   2.158  -5.582   1.838
  322   HD11  LEU  45          HD11      LEU  45   4.491  -4.241   0.474
  323   HD12  LEU  45          HD12      LEU  45   3.354  -3.493   1.596
  324   HD13  LEU  45          HD13      LEU  45   2.799  -4.049   0.016
  325   HD21  LEU  45          HD21      LEU  45   2.872  -7.627   0.736
  326   HD22  LEU  45          HD22      LEU  45   4.167  -6.755  -0.084
  327   HD23  LEU  45          HD23      LEU  45   2.482  -6.387  -0.455
  328    H    MET  46           HN       MET  46   3.368  -6.816   5.376
  329    HA   MET  46           HA       MET  46   0.617  -6.049   5.471
  330    HB2  MET  46           HB2      MET  46   0.315  -7.779   7.128
  331    HB3  MET  46           HB1      MET  46   1.348  -8.390   5.847
  332    HG2  MET  46           HG2      MET  46   3.305  -8.075   7.245
  333    HG3  MET  46           HG1      MET  46   2.298  -7.390   8.521
  334    HE1  MET  46           HE1      MET  46   0.136 -10.471   9.602
  335    HE2  MET  46           HE2      MET  46  -0.267  -9.185   8.464
  336    HE3  MET  46           HE3      MET  46   0.565  -8.802   9.969
  337    H    GLU  47           HN       GLU  47   3.442  -5.279   7.360
  338    HA   GLU  47           HA       GLU  47   2.224  -4.030   9.553
  339    HB2  GLU  47           HB2      GLU  47   4.807  -3.519   8.089
  340    HB3  GLU  47           HB1      GLU  47   4.323  -2.519   9.450
  341    HG2  GLU  47           HG2      GLU  47   4.614  -5.511   9.589
  342    HG3  GLU  47           HG1      GLU  47   5.897  -4.374  10.001
  343    H    THR  48           HN       THR  48   3.213  -2.709   6.422
  344    HA   THR  48           HA       THR  48   2.233  -0.112   6.780
  345    HB   THR  48           HB       THR  48   2.418  -1.613   4.156
  346    HG1  THR  48           HG1      THR  48   4.418  -1.776   5.165
  347   HG21  THR  48          HG21      THR  48   1.274   0.566   4.039
  348   HG22  THR  48          HG22      THR  48   2.826   0.601   3.203
  349   HG23  THR  48          HG23      THR  48   2.671   1.333   4.799
  350    H    ALA  49           HN       ALA  49   0.717  -3.031   5.483
  351    HA   ALA  49           HA       ALA  49  -1.647  -1.975   4.486
  352    HB1  ALA  49           HB1      ALA  49  -0.885  -4.295   4.162
  353    HB2  ALA  49           HB2      ALA  49  -2.563  -4.199   4.696
  354    HB3  ALA  49           HB3      ALA  49  -1.300  -4.645   5.843
  355    H    ALA  50           HN       ALA  50  -0.966  -3.155   7.769
  356    HA   ALA  50           HA       ALA  50  -3.583  -2.932   8.770
  357    HB1  ALA  50           HB1      ALA  50  -0.995  -2.751  10.305
  358    HB2  ALA  50           HB2      ALA  50  -1.803  -4.251   9.847
  359    HB3  ALA  50           HB3      ALA  50  -2.584  -3.133  10.967
  360    H    ARG  51           HN       ARG  51  -0.986  -0.659   8.420
  361    HA   ARG  51           HA       ARG  51  -1.929   1.362  10.154
  362    HB2  ARG  51           HB2      ARG  51  -0.296   1.755   7.642
  363    HB3  ARG  51           HB1      ARG  51  -0.370   2.817   9.030
  364    HG2  ARG  51           HG2      ARG  51   0.853   0.084   8.897
  365    HG3  ARG  51           HG1      ARG  51   1.693   1.621   9.086
  366    HD2  ARG  51           HD2      ARG  51   0.783   1.922  11.280
  367    HD3  ARG  51           HD1      ARG  51  -0.283   0.531  11.080
  368    HE   ARG  51           HE       ARG  51   2.648   0.272  11.114
  369   HH11  ARG  51          HH11      ARG  51  -0.525  -0.683  12.267
  370   HH12  ARG  51          HH12      ARG  51   0.070  -2.098  13.084
  371   HH21  ARG  51          HH21      ARG  51   3.420  -1.581  12.233
  372   HH22  ARG  51          HH22      ARG  51   2.298  -2.590  13.087
  373    H    LEU  52           HN       LEU  52  -2.515   0.610   6.774
  374    HA   LEU  52           HA       LEU  52  -3.999   3.038   6.319
  375    HB2  LEU  52           HB2      LEU  52  -3.703   0.601   4.571
  376    HB3  LEU  52           HB1      LEU  52  -4.365   2.149   4.078
  377    HG   LEU  52           HG       LEU  52  -1.509   1.588   4.886
  378   HD11  LEU  52          HD11      LEU  52  -2.017   0.825   2.664
  379   HD12  LEU  52          HD12      LEU  52  -1.034   2.290   2.577
  380   HD13  LEU  52          HD13      LEU  52  -2.772   2.370   2.274
  381   HD21  LEU  52          HD21      LEU  52  -1.082   3.941   4.332
  382   HD22  LEU  52          HD22      LEU  52  -2.178   3.779   5.705
  383   HD23  LEU  52          HD23      LEU  52  -2.813   4.198   4.113
  384    H    GLU  53           HN       GLU  53  -4.734  -0.364   6.888
  385    HA   GLU  53           HA       GLU  53  -7.498  -0.258   6.447
  386    HB2  GLU  53           HB2      GLU  53  -5.950  -1.902   8.465
  387    HB3  GLU  53           HB1      GLU  53  -7.640  -2.161   8.049
  388    HG2  GLU  53           HG2      GLU  53  -7.001  -2.645   5.743
  389    HG3  GLU  53           HG1      GLU  53  -5.306  -2.388   6.156
  390    H    SER  54           HN       SER  54  -5.570   0.454   9.323
  391    HA   SER  54           HA       SER  54  -7.713   1.171  11.011
  392    HB2  SER  54           HB2      SER  54  -4.854   2.159  11.083
  393    HB3  SER  54           HB1      SER  54  -6.011   2.217  12.412
  394    HG   SER  54           HG       SER  54  -4.795  -0.050  11.225
  395    H    ARG  55           HN       ARG  55  -5.762   3.035   8.722
  396    HA   ARG  55           HA       ARG  55  -6.638   5.582   9.565
  397    HB2  ARG  55           HB2      ARG  55  -5.150   4.485   7.249
  398    HB3  ARG  55           HB1      ARG  55  -5.853   6.078   7.073
  399    HG2  ARG  55           HG2      ARG  55  -4.659   6.778   9.139
  400    HG3  ARG  55           HG1      ARG  55  -3.868   5.200   9.149
  401    HD2  ARG  55           HD2      ARG  55  -2.871   5.645   6.991
  402    HD3  ARG  55           HD1      ARG  55  -3.730   7.181   6.884
  403    HE   ARG  55           HE       ARG  55  -2.280   7.323   9.216
  404   HH11  ARG  55          HH11      ARG  55  -1.507   6.879   5.809
  405   HH12  ARG  55          HH12      ARG  55   0.066   7.595   5.960
  406   HH21  ARG  55          HH21      ARG  55  -0.228   8.263   9.380
  407   HH22  ARG  55          HH22      ARG  55   0.808   8.359   7.977
  408    H    TYR  56           HN       TYR  56  -7.581   3.586   6.765
  409    HA   TYR  56           HA       TYR  56  -9.597   5.606   6.108
  410    HB2  TYR  56           HB2      TYR  56  -8.749   3.235   4.439
  411    HB3  TYR  56           HB1      TYR  56  -9.614   4.675   3.903
  412    HD1  TYR  56           HD2      TYR  56  -8.318   6.959   4.343
  413    HD2  TYR  56           HD1      TYR  56  -6.463   3.130   4.062
  414    HE1  TYR  56           HE2      TYR  56  -6.199   8.036   3.753
  415    HE2  TYR  56           HE1      TYR  56  -4.334   4.209   3.466
  416    HH   TYR  56           HH       TYR  56  -3.754   7.499   3.861
  417    H    GLY  57           HN       GLY  57  -9.458   2.854   7.889
  418    HA2  GLY  57           HA2      GLY  57 -11.150   1.642   8.884
  419    HA3  GLY  57           HA1      GLY  57 -12.299   2.666   8.035
  420    H    VAL  58           HN       VAL  58  -9.805   0.741   6.491
  421    HA   VAL  58           HA       VAL  58 -11.955  -0.706   5.117
  422    HB   VAL  58           HB       VAL  58 -10.382  -1.111   3.288
  423   HG11  VAL  58          HG11      VAL  58 -11.769   0.896   3.226
  424   HG12  VAL  58          HG12      VAL  58 -10.207   1.176   2.456
  425   HG13  VAL  58          HG13      VAL  58 -10.516   1.796   4.078
  426   HG21  VAL  58          HG21      VAL  58  -8.297  -1.166   4.558
  427   HG22  VAL  58          HG22      VAL  58  -8.441   0.559   4.895
  428   HG23  VAL  58          HG23      VAL  58  -8.194   0.001   3.240
  429    H    SER  59           HN       SER  59 -10.757  -2.821   4.075
  430    HA   SER  59           HA       SER  59  -9.097  -4.180   5.992
  431    HB2  SER  59           HB2      SER  59 -11.856  -5.213   5.279
  432    HB3  SER  59           HB1      SER  59 -10.642  -6.098   6.197
  433    HG   SER  59           HG       SER  59 -10.924  -3.732   7.345
  434    H    ILE  60           HN       ILE  60  -7.624  -5.258   4.862
  435    HA   ILE  60           HA       ILE  60  -8.106  -5.688   2.009
  436    HB   ILE  60           HB       ILE  60  -5.542  -5.971   3.592
  437   HG12  ILE  60          HG12      ILE  60  -6.484  -3.743   1.758
  438   HG13  ILE  60          HG11      ILE  60  -6.392  -3.651   3.515
  439   HG21  ILE  60          HG21      ILE  60  -5.567  -7.357   1.591
  440   HG22  ILE  60          HG22      ILE  60  -4.449  -6.007   1.401
  441   HG23  ILE  60          HG23      ILE  60  -6.026  -5.963   0.613
  442   HD11  ILE  60          HD11      ILE  60  -4.054  -4.056   1.666
  443   HD12  ILE  60          HD12      ILE  60  -3.982  -3.895   3.421
  444   HD13  ILE  60          HD13      ILE  60  -4.513  -2.535   2.431
  445    HA   PRO  61           HA       PRO  61  -9.212  -9.931   2.924
  446    HB2  PRO  61           HB2      PRO  61  -8.827 -10.157  -0.012
  447    HB3  PRO  61           HB1      PRO  61 -10.216 -10.610   0.979
  448    HG2  PRO  61           HG2      PRO  61 -10.302  -8.439  -0.556
  449    HG3  PRO  61           HG1      PRO  61 -11.035  -8.439   1.061
  450    HD2  PRO  61           HD2      PRO  61  -8.437  -7.258   0.156
  451    HD3  PRO  61           HD1      PRO  61  -9.636  -6.605   1.291
  452    H    ASP  62           HN       ASP  62  -8.039 -11.692   3.346
  453    HA   ASP  62           HA       ASP  62  -5.242 -11.592   3.269
  454    HB2  ASP  62           HB2      ASP  62  -6.459 -12.885   4.927
  455    HB3  ASP  62           HB1      ASP  62  -7.095 -13.944   3.674
  456    H    ASP  63           HN       ASP  63  -7.536 -13.204   1.134
  457    HA   ASP  63           HA       ASP  63  -5.503 -14.627  -0.307
  458    HB2  ASP  63           HB2      ASP  63  -7.606 -15.694  -0.267
  459    HB3  ASP  63           HB1      ASP  63  -8.458 -14.224  -0.731
  460    H    VAL  64           HN       VAL  64  -7.373 -11.684  -0.841
  461    HA   VAL  64           HA       VAL  64  -6.388 -11.277  -3.488
  462    HB   VAL  64           HB       VAL  64  -7.629  -9.229  -1.640
  463   HG11  VAL  64          HG11      VAL  64  -6.469  -8.262  -3.571
  464   HG12  VAL  64          HG12      VAL  64  -8.216  -8.060  -3.711
  465   HG13  VAL  64          HG13      VAL  64  -7.393  -9.304  -4.651
  466   HG21  VAL  64          HG21      VAL  64  -9.129 -11.116  -1.873
  467   HG22  VAL  64          HG22      VAL  64  -8.923 -11.105  -3.625
  468   HG23  VAL  64          HG23      VAL  64  -9.742  -9.763  -2.823
  469    H    ALA  65           HN       ALA  65  -5.290 -10.475  -0.294
  470    HA   ALA  65           HA       ALA  65  -3.423  -8.478  -0.933
  471    HB1  ALA  65           HB1      ALA  65  -3.281 -10.533   1.264
  472    HB2  ALA  65           HB2      ALA  65  -4.119  -8.984   1.361
  473    HB3  ALA  65           HB3      ALA  65  -2.365  -9.029   1.187
  474    H    GLY  66           HN       GLY  66  -3.211 -11.981  -0.901
  475    HA2  GLY  66           HA2      GLY  66  -0.380 -11.926  -1.553
  476    HA3  GLY  66           HA1      GLY  66  -1.352 -13.355  -1.245
  477    H    ARG  67           HN       ARG  67  -2.281 -10.877  -3.564
  478    HA   ARG  67           HA       ARG  67  -1.184 -12.455  -5.749
  479    HB2  ARG  67           HB2      ARG  67  -3.330 -12.471  -6.980
  480    HB3  ARG  67           HB1      ARG  67  -3.374 -13.433  -5.511
  481    HG2  ARG  67           HG2      ARG  67  -4.565 -11.644  -4.367
  482    HG3  ARG  67           HG1      ARG  67  -4.501 -10.660  -5.827
  483    HD2  ARG  67           HD2      ARG  67  -6.667 -11.676  -5.687
  484    HD3  ARG  67           HD1      ARG  67  -5.781 -12.426  -7.014
  485    HE   ARG  67           HE       ARG  67  -5.857 -13.745  -4.384
  486   HH11  ARG  67          HH11      ARG  67  -6.759 -13.672  -7.760
  487   HH12  ARG  67          HH12      ARG  67  -7.244 -15.337  -7.803
  488   HH21  ARG  67          HH21      ARG  67  -6.540 -15.936  -4.405
  489   HH22  ARG  67          HH22      ARG  67  -7.118 -16.623  -5.894
  490    H    VAL  68           HN       VAL  68  -1.205  -9.615  -4.387
  491    HA   VAL  68           HA       VAL  68  -1.518  -8.055  -6.849
  492    HB   VAL  68           HB       VAL  68  -1.244  -6.049  -5.486
  493   HG11  VAL  68          HG11      VAL  68  -3.306  -6.193  -4.192
  494   HG12  VAL  68          HG12      VAL  68  -3.272  -7.952  -4.327
  495   HG13  VAL  68          HG13      VAL  68  -3.480  -6.959  -5.771
  496   HG21  VAL  68          HG21      VAL  68  -1.125  -6.167  -3.049
  497   HG22  VAL  68          HG22      VAL  68   0.285  -6.918  -3.797
  498   HG23  VAL  68          HG23      VAL  68  -1.004  -7.925  -3.136
  499    H    ASP  69           HN       ASP  69   0.272  -6.213  -6.977
  500    HA   ASP  69           HA       ASP  69   2.890  -7.164  -6.188
  501    HB2  ASP  69           HB2      ASP  69   1.897  -7.834  -8.742
  502    HB3  ASP  69           HB1      ASP  69   3.070  -6.543  -8.998
  503    H    THR  70           HN       THR  70   1.205  -4.834  -8.285
  504    HA   THR  70           HA       THR  70   3.181  -2.815  -7.550
  505    HB   THR  70           HB       THR  70   1.906  -1.502  -9.398
  506    HG1  THR  70           HG1      THR  70   0.380  -2.587 -10.413
  507   HG21  THR  70          HG21      THR  70   3.513  -3.968 -10.075
  508   HG22  THR  70          HG22      THR  70   4.168  -2.378  -9.683
  509   HG23  THR  70          HG23      THR  70   3.225  -2.607 -11.156
  510    HA   PRO  71           HA       PRO  71   0.601  -0.589  -4.680
  511    HB2  PRO  71           HB2      PRO  71   1.706   1.731  -6.213
  512    HB3  PRO  71           HB1      PRO  71   1.598   1.498  -4.465
  513    HG2  PRO  71           HG2      PRO  71   3.912   1.147  -5.688
  514    HG3  PRO  71           HG1      PRO  71   3.396  -0.003  -4.438
  515    HD2  PRO  71           HD2      PRO  71   3.395  -0.306  -7.408
  516    HD3  PRO  71           HD1      PRO  71   3.749  -1.506  -6.148
  517    H    ARG  72           HN       ARG  72   0.564   0.210  -8.120
  518    HA   ARG  72           HA       ARG  72  -1.644   1.878  -8.268
  519    HB2  ARG  72           HB2      ARG  72  -0.190   1.336 -10.194
  520    HB3  ARG  72           HB1      ARG  72  -0.890  -0.277 -10.249
  521    HG2  ARG  72           HG2      ARG  72  -3.147   0.927 -10.490
  522    HG3  ARG  72           HG1      ARG  72  -2.179   2.346 -10.887
  523    HD2  ARG  72           HD2      ARG  72  -2.105  -0.305 -12.317
  524    HD3  ARG  72           HD1      ARG  72  -2.893   1.160 -12.891
  525    HE   ARG  72           HE       ARG  72  -0.056   1.383 -12.348
  526   HH11  ARG  72          HH11      ARG  72  -2.591   0.925 -14.716
  527   HH12  ARG  72          HH12      ARG  72  -1.557   1.246 -16.082
  528   HH21  ARG  72          HH21      ARG  72   1.309   1.844 -14.153
  529   HH22  ARG  72          HH22      ARG  72   0.663   1.737 -15.763
  530    H    GLU  73           HN       GLU  73  -1.590  -1.656  -8.624
  531    HA   GLU  73           HA       GLU  73  -4.361  -1.986  -8.907
  532    HB2  GLU  73           HB2      GLU  73  -2.856  -4.145  -7.520
  533    HB3  GLU  73           HB1      GLU  73  -3.976  -4.249  -8.866
  534    HG2  GLU  73           HG2      GLU  73  -1.087  -3.413  -8.979
  535    HG3  GLU  73           HG1      GLU  73  -1.785  -4.914  -9.577
  536    H    LEU  74           HN       LEU  74  -2.268  -2.096  -6.084
  537    HA   LEU  74           HA       LEU  74  -4.146  -2.859  -4.150
  538    HB2  LEU  74           HB2      LEU  74  -1.554  -2.618  -4.082
  539    HB3  LEU  74           HB1      LEU  74  -1.877  -0.965  -3.608
  540    HG   LEU  74           HG       LEU  74  -1.383  -2.573  -1.739
  541   HD11  LEU  74          HD11      LEU  74  -4.057  -1.190  -1.616
  542   HD12  LEU  74          HD12      LEU  74  -2.489  -0.422  -1.363
  543   HD13  LEU  74          HD13      LEU  74  -3.053  -1.663  -0.244
  544   HD21  LEU  74          HD21      LEU  74  -3.186  -4.043  -0.992
  545   HD22  LEU  74          HD22      LEU  74  -2.613  -4.492  -2.599
  546   HD23  LEU  74          HD23      LEU  74  -4.131  -3.614  -2.418
  547    H    LEU  75           HN       LEU  75  -3.101   0.334  -5.242
  548    HA   LEU  75           HA       LEU  75  -4.668   1.906  -3.541
  549    HB2  LEU  75           HB2      LEU  75  -2.777   2.672  -4.985
  550    HB3  LEU  75           HB1      LEU  75  -3.834   2.535  -6.375
  551    HG   LEU  75           HG       LEU  75  -5.338   4.230  -5.293
  552   HD11  LEU  75          HD11      LEU  75  -2.995   4.484  -3.417
  553   HD12  LEU  75          HD12      LEU  75  -4.635   3.986  -2.997
  554   HD13  LEU  75          HD13      LEU  75  -4.323   5.636  -3.536
  555   HD21  LEU  75          HD21      LEU  75  -3.887   6.137  -5.862
  556   HD22  LEU  75          HD22      LEU  75  -3.828   4.859  -7.075
  557   HD23  LEU  75          HD23      LEU  75  -2.504   5.042  -5.924
  558    H    ASP  76           HN       ASP  76  -5.320   0.860  -6.886
  559    HA   ASP  76           HA       ASP  76  -7.863   2.145  -7.000
  560    HB2  ASP  76           HB2      ASP  76  -6.474   1.676  -9.007
  561    HB3  ASP  76           HB1      ASP  76  -6.784  -0.044  -8.792
  562    H    LEU  77           HN       LEU  77  -6.799  -1.030  -6.032
  563    HA   LEU  77           HA       LEU  77  -9.269  -2.380  -6.137
  564    HB2  LEU  77           HB2      LEU  77  -7.137  -3.530  -5.849
  565    HB3  LEU  77           HB1      LEU  77  -6.913  -2.762  -4.290
  566    HG   LEU  77           HG       LEU  77  -8.937  -3.980  -3.466
  567   HD11  LEU  77          HD11      LEU  77  -8.690  -5.419  -6.105
  568   HD12  LEU  77          HD12      LEU  77 -10.027  -4.384  -5.602
  569   HD13  LEU  77          HD13      LEU  77  -9.723  -5.903  -4.759
  570   HD21  LEU  77          HD21      LEU  77  -6.667  -5.655  -4.531
  571   HD22  LEU  77          HD22      LEU  77  -7.786  -6.127  -3.252
  572   HD23  LEU  77          HD23      LEU  77  -6.686  -4.772  -3.004
  573    H    ILE  78           HN       ILE  78  -7.643  -0.822  -3.372
  574    HA   ILE  78           HA       ILE  78  -9.753  -1.202  -1.547
  575    HB   ILE  78           HB       ILE  78  -7.599   0.928  -1.541
  576   HG12  ILE  78          HG12      ILE  78  -7.757  -1.776  -0.185
  577   HG13  ILE  78          HG11      ILE  78  -6.716  -1.364  -1.545
  578   HG21  ILE  78          HG21      ILE  78  -9.330  -0.044   0.733
  579   HG22  ILE  78          HG22      ILE  78  -9.512   1.501  -0.098
  580   HG23  ILE  78          HG23      ILE  78  -8.050   1.167   0.830
  581   HD11  ILE  78          HD11      ILE  78  -5.501   0.208  -0.147
  582   HD12  ILE  78          HD12      ILE  78  -5.498  -1.407   0.560
  583   HD13  ILE  78          HD13      ILE  78  -6.565  -0.161   1.211
  584    H    ASN  79           HN       ASN  79  -8.885   1.591  -3.573
  585    HA   ASN  79           HA       ASN  79 -11.070   3.203  -2.764
  586    HB2  ASN  79           HB2      ASN  79  -9.326   3.275  -5.224
  587    HB3  ASN  79           HB1      ASN  79 -10.580   4.469  -4.903
  588   HD21  ASN  79          HD21      ASN  79  -7.743   4.916  -5.150
  589   HD22  ASN  79          HD22      ASN  79  -7.204   5.576  -3.643
  590    H    GLY  80           HN       GLY  80 -10.814   0.548  -4.933
  591    HA2  GLY  80           HA2      GLY  80 -13.122   1.096  -6.515
  592    HA3  GLY  80           HA1      GLY  80 -12.341  -0.469  -6.322
  593    H    ALA  81           HN       ALA  81 -12.584  -0.548  -3.462
  594    HA   ALA  81           HA       ALA  81 -15.260  -1.519  -3.212
  595    HB1  ALA  81           HB1      ALA  81 -13.171  -1.073  -1.082
  596    HB2  ALA  81           HB2      ALA  81 -13.397  -2.556  -2.009
  597    HB3  ALA  81           HB3      ALA  81 -14.655  -2.009  -0.901
  598    H    LEU  82           HN       LEU  82 -13.565   1.403  -2.385
  599    HA   LEU  82           HA       LEU  82 -15.730   2.431  -0.755
  600    HB2  LEU  82           HB2      LEU  82 -13.194   3.752  -1.717
  601    HB3  LEU  82           HB1      LEU  82 -14.306   4.429  -0.546
  602    HG   LEU  82           HG       LEU  82 -12.721   1.892  -0.155
  603   HD11  LEU  82          HD11      LEU  82 -12.295   4.648   0.992
  604   HD12  LEU  82          HD12      LEU  82 -11.282   3.854  -0.214
  605   HD13  LEU  82          HD13      LEU  82 -11.386   3.195   1.418
  606   HD21  LEU  82          HD21      LEU  82 -14.411   3.466   1.784
  607   HD22  LEU  82          HD22      LEU  82 -13.467   2.022   2.155
  608   HD23  LEU  82          HD23      LEU  82 -14.847   1.918   1.061
  609    H    ALA  83           HN       ALA  83 -15.042   2.273  -4.033
  610    HA   ALA  83           HA       ALA  83 -15.857   4.815  -4.938
  611    HB1  ALA  83           HB1      ALA  83 -15.954   2.172  -6.386
  612    HB2  ALA  83           HB2      ALA  83 -14.574   3.269  -6.321
  613    HB3  ALA  83           HB3      ALA  83 -16.059   3.768  -7.130
  614    H    GLU  84           HN       GLU  84 -17.648   2.127  -3.766
  615    HA   GLU  84           HA       GLU  84 -20.134   2.732  -4.995
  616    HB2  GLU  84           HB2      GLU  84 -19.492   1.274  -2.430
  617    HB3  GLU  84           HB1      GLU  84 -21.095   1.353  -3.151
  618    HG2  GLU  84           HG2      GLU  84 -18.663   0.194  -4.494
  619    HG3  GLU  84           HG1      GLU  84 -19.894  -0.744  -3.651
  620    H    ALA  85           HN       ALA  85 -18.333   4.158  -2.478
  621    HA   ALA  85           HA       ALA  85 -20.641   5.786  -1.641
  622    HB1  ALA  85           HB1      ALA  85 -18.066   5.213  -0.177
  623    HB2  ALA  85           HB2      ALA  85 -19.656   4.544   0.194
  624    HB3  ALA  85           HB3      ALA  85 -19.356   6.269   0.399
  625    H    ALA  86           HN       ALA  86 -18.819   6.032  -4.002
  626    HA   ALA  86           HA       ALA  86 -17.322   8.444  -3.524
  627    HB1  ALA  86           HB1      ALA  86 -16.600   6.774  -5.204
  628    HB2  ALA  86           HB2      ALA  86 -16.809   8.385  -5.889
  629    HB3  ALA  86           HB3      ALA  86 -18.036   7.149  -6.160
  630    H28  SXO  87          H28B      SXO  87   4.972 -12.076   5.617
  631   H28A  SXO  87          H28A      SXO  87   5.266 -13.654   6.354
  632    H30  SXO  87          H30A      SXO  87   1.667 -13.025   6.754
  633   H30A  SXO  87          H30C      SXO  87   3.187 -13.316   7.597
  634   H30B  SXO  87          H30B      SXO  87   2.921 -11.785   6.759
  635    H31  SXO  87          H31A      SXO  87   3.193 -13.127   3.355
  636   H31A  SXO  87          H31B      SXO  87   2.813 -11.703   4.323
  637   H31B  SXO  87          H31C      SXO  87   1.647 -13.018   4.197
  638    H32  SXO  87          H32A      SXO  87   3.293 -15.399   6.384
  639   HO33  SXO  87          H33A      SXO  87   4.560 -14.910   4.117
  640   HN36  SXO  87          H36A      SXO  87   0.973 -14.441   6.748
  641    H37  SXO  87          H37A      SXO  87  -1.061 -14.674   4.820
  642   H37A  SXO  87          H37B      SXO  87  -0.948 -16.169   5.745
  643    H38  SXO  87          H38B      SXO  87  -1.275 -14.932   7.818
  644   H38A  SXO  87          H38A      SXO  87  -2.612 -14.678   6.698
  645   HN41  SXO  87          H41A      SXO  87  -1.601 -12.857   5.008
  646    H42  SXO  87          H42A      SXO  87  -2.257 -10.422   5.800
  647   H42A  SXO  87          H42B      SXO  87  -0.624 -10.530   6.463
  648    H43  SXO  87          H43B      SXO  87   0.279 -10.918   4.237
  649   H43A  SXO  87          H43A      SXO  87  -1.356 -10.895   3.556
  650    H2   SXO  87           H2A      SXO  87   0.304  -7.553   0.854
  651    H2A  SXO  87           H2B      SXO  87   0.787  -6.757   2.349
  652    H3   SXO  87           H3B      SXO  87  -2.056  -7.497   2.181
  653    H3A  SXO  87           H3A      SXO  87  -1.291  -6.034   2.805
  654    H4   SXO  87           H4A      SXO  87  -2.639  -5.548   0.822
  655    H4A  SXO  87           H4B      SXO  87  -1.708  -6.723  -0.107
  656    H5   SXO  87           H5B      SXO  87   0.331  -5.363   0.313
  657    H5A  SXO  87           H5A      SXO  87  -0.900  -4.537  -0.644
  658    H6   SXO  87           H6A      SXO  87  -0.308  -4.148   2.288
  659    H6A  SXO  87           H6B      SXO  87  -1.680  -3.420   1.449
  660    H7   SXO  87           H7A      SXO  87  -0.160  -2.239  -0.049
  661    H7A  SXO  87           H7B      SXO  87   1.229  -2.985   0.764
  662    H8   SXO  87           H8C      SXO  87  -0.819  -1.198   2.081
  663    H8A  SXO  87           H8A      SXO  87   0.794  -0.696   1.572
  664    H8B  SXO  87           H8B      SXO  87   0.606  -1.900   2.847
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -16.224  14.678   3.338
    2    H2   MET   1           HT2      MET   1 -17.727  15.335   2.919
    3    H3   MET   1           HT3      MET   1 -17.103  14.027   2.039
    4    HA   MET   1           HA       MET   1 -17.956  13.999   4.877
    5    HB2  MET   1           HB2      MET   1 -19.117  12.724   2.392
    6    HB3  MET   1           HB1      MET   1 -19.642  12.353   4.029
    7    HG2  MET   1           HG2      MET   1 -20.354  14.654   4.344
    8    HG3  MET   1           HG1      MET   1 -19.786  15.061   2.727
    9    HE1  MET   1           HE1      MET   1 -20.876  14.156   0.501
   10    HE2  MET   1           HE2      MET   1 -22.251  13.054   0.450
   11    HE3  MET   1           HE3      MET   1 -20.688  12.488   1.042
   12    H    ALA   2           HN       ALA   2 -16.461  12.289   2.181
   13    HA   ALA   2           HA       ALA   2 -15.040  10.620   4.116
   14    HB1  ALA   2           HB1      ALA   2 -15.353   8.614   2.723
   15    HB2  ALA   2           HB2      ALA   2 -16.447   9.521   1.678
   16    HB3  ALA   2           HB3      ALA   2 -16.883   9.215   3.359
   17    H    THR   3           HN       THR   3 -13.113   9.564   3.049
   18    HA   THR   3           HA       THR   3 -12.193  11.089   0.726
   19    HB   THR   3           HB       THR   3 -11.352  12.223   2.779
   20    HG1  THR   3           HG1      THR   3  -9.047  11.130   1.650
   21   HG21  THR   3          HG21      THR   3  -9.848   9.641   3.206
   22   HG22  THR   3          HG22      THR   3 -11.115  10.290   4.247
   23   HG23  THR   3          HG23      THR   3  -9.574  11.139   4.094
   24    H    LEU   4           HN       LEU   4 -10.945   9.986  -0.664
   25    HA   LEU   4           HA       LEU   4 -10.786   7.119  -0.355
   26    HB2  LEU   4           HB2      LEU   4  -9.890   8.919  -2.605
   27    HB3  LEU   4           HB1      LEU   4  -9.926   7.169  -2.663
   28    HG   LEU   4           HG       LEU   4 -12.334   8.978  -2.413
   29   HD11  LEU   4          HD11      LEU   4 -11.347   9.046  -4.631
   30   HD12  LEU   4          HD12      LEU   4 -12.872   8.159  -4.662
   31   HD13  LEU   4          HD13      LEU   4 -11.341   7.282  -4.702
   32   HD21  LEU   4          HD21      LEU   4 -12.678   6.890  -1.221
   33   HD22  LEU   4          HD22      LEU   4 -12.145   5.976  -2.632
   34   HD23  LEU   4          HD23      LEU   4 -13.637   6.915  -2.703
   35    H    LEU   5           HN       LEU   5  -8.728   6.062  -1.162
   36    HA   LEU   5           HA       LEU   5  -6.427   7.075   0.273
   37    HB2  LEU   5           HB2      LEU   5  -6.678   4.750   0.438
   38    HB3  LEU   5           HB1      LEU   5  -7.108   4.582  -1.250
   39    HG   LEU   5           HG       LEU   5  -4.780   4.949  -1.901
   40   HD11  LEU   5          HD11      LEU   5  -3.021   4.956  -0.160
   41   HD12  LEU   5          HD12      LEU   5  -4.280   5.174   1.059
   42   HD13  LEU   5          HD13      LEU   5  -4.015   6.412  -0.170
   43   HD21  LEU   5          HD21      LEU   5  -5.119   2.841   0.225
   44   HD22  LEU   5          HD22      LEU   5  -3.858   2.870  -1.008
   45   HD23  LEU   5          HD23      LEU   5  -5.547   2.682  -1.478
   46    H    THR   6           HN       THR   6  -5.041   8.467  -0.649
   47    HA   THR   6           HA       THR   6  -4.993   8.636  -3.563
   48    HB   THR   6           HB       THR   6  -3.585  10.816  -2.499
   49    HG1  THR   6           HG1      THR   6  -4.425  10.889  -0.523
   50   HG21  THR   6          HG21      THR   6  -5.038  10.794  -4.486
   51   HG22  THR   6          HG22      THR   6  -5.471  12.095  -3.376
   52   HG23  THR   6          HG23      THR   6  -6.446  10.626  -3.437
   53    H    THR   7           HN       THR   7  -2.842   9.540  -4.409
   54    HA   THR   7           HA       THR   7  -0.910   7.560  -4.292
   55    HB   THR   7           HB       THR   7   0.536   9.539  -5.279
   56    HG1  THR   7           HG1      THR   7  -0.564  11.351  -5.631
   57   HG21  THR   7          HG21      THR   7  -1.938   8.481  -6.662
   58   HG22  THR   7          HG22      THR   7  -0.384   7.654  -6.566
   59   HG23  THR   7          HG23      THR   7  -0.521   9.170  -7.454
   60    H    ASP   8           HN       ASP   8  -0.699  10.853  -2.921
   61    HA   ASP   8           HA       ASP   8   1.762  10.487  -1.631
   62    HB2  ASP   8           HB2      ASP   8  -0.496  12.408  -1.081
   63    HB3  ASP   8           HB1      ASP   8   1.042  12.464  -0.226
   64    H    ASP   9           HN       ASP   9  -1.530   9.962  -0.519
   65    HA   ASP   9           HA       ASP   9  -0.999   9.501   2.188
   66    HB2  ASP   9           HB2      ASP   9  -3.179   8.431   0.393
   67    HB3  ASP   9           HB1      ASP   9  -3.151   8.183   2.134
   68    H    LEU  10           HN       LEU  10  -1.169   7.223  -0.538
   69    HA   LEU  10           HA       LEU  10  -0.517   4.927   0.964
   70    HB2  LEU  10           HB2      LEU  10  -1.432   4.810  -1.314
   71    HB3  LEU  10           HB1      LEU  10   0.043   5.518  -1.946
   72    HG   LEU  10           HG       LEU  10   1.288   3.517  -1.069
   73   HD11  LEU  10          HD11      LEU  10  -0.338   2.815   0.607
   74   HD12  LEU  10          HD12      LEU  10   0.009   1.517  -0.535
   75   HD13  LEU  10          HD13      LEU  10  -1.494   2.430  -0.669
   76   HD21  LEU  10          HD21      LEU  10  -0.895   2.946  -3.073
   77   HD22  LEU  10          HD22      LEU  10   0.621   2.058  -2.898
   78   HD23  LEU  10          HD23      LEU  10   0.638   3.740  -3.428
   79    H    ARG  11           HN       ARG  11   1.479   7.218  -0.865
   80    HA   ARG  11           HA       ARG  11   3.955   6.008  -0.541
   81    HB2  ARG  11           HB2      ARG  11   3.636   7.866  -2.055
   82    HB3  ARG  11           HB1      ARG  11   3.280   8.948  -0.717
   83    HG2  ARG  11           HG2      ARG  11   5.500   8.986  -0.004
   84    HG3  ARG  11           HG1      ARG  11   5.908   7.532  -0.913
   85    HD2  ARG  11           HD2      ARG  11   6.857   9.462  -1.997
   86    HD3  ARG  11           HD1      ARG  11   5.592   8.772  -3.005
   87    HE   ARG  11           HE       ARG  11   4.280  10.717  -1.678
   88   HH11  ARG  11          HH11      ARG  11   7.304  10.649  -3.419
   89   HH12  ARG  11          HH12      ARG  11   7.180  12.293  -3.986
   90   HH21  ARG  11          HH21      ARG  11   4.100  12.905  -2.396
   91   HH22  ARG  11          HH22      ARG  11   5.358  13.564  -3.400
   92    H    ARG  12           HN       ARG  12   2.169   8.027   1.724
   93    HA   ARG  12           HA       ARG  12   4.313   8.322   3.567
   94    HB2  ARG  12           HB2      ARG  12   1.328   8.594   3.892
   95    HB3  ARG  12           HB1      ARG  12   2.477   8.942   5.174
   96    HG2  ARG  12           HG2      ARG  12   2.456  10.317   2.496
   97    HG3  ARG  12           HG1      ARG  12   1.677  10.948   3.948
   98    HD2  ARG  12           HD2      ARG  12   3.782  12.028   3.773
   99    HD3  ARG  12           HD1      ARG  12   3.925  10.844   5.067
  100    HE   ARG  12           HE       ARG  12   4.791   9.656   2.691
  101   HH11  ARG  12          HH11      ARG  12   5.793  12.133   4.959
  102   HH12  ARG  12          HH12      ARG  12   7.474  12.002   4.546
  103   HH21  ARG  12          HH21      ARG  12   7.010   9.516   2.144
  104   HH22  ARG  12          HH22      ARG  12   8.172  10.511   2.966
  105    H    ALA  13           HN       ALA  13   1.839   5.891   3.074
  106    HA   ALA  13           HA       ALA  13   1.960   4.645   5.594
  107    HB1  ALA  13           HB1      ALA  13   0.131   4.254   4.054
  108    HB2  ALA  13           HB2      ALA  13   0.906   2.725   4.471
  109    HB3  ALA  13           HB3      ALA  13   1.228   3.482   2.911
  110    H    LEU  14           HN       LEU  14   3.827   4.138   2.633
  111    HA   LEU  14           HA       LEU  14   5.218   1.831   3.527
  112    HB2  LEU  14           HB2      LEU  14   5.840   3.885   1.408
  113    HB3  LEU  14           HB1      LEU  14   6.909   2.540   1.739
  114    HG   LEU  14           HG       LEU  14   5.663   1.872  -0.126
  115   HD11  LEU  14          HD11      LEU  14   5.773   0.121   1.544
  116   HD12  LEU  14          HD12      LEU  14   4.266   0.020   0.634
  117   HD13  LEU  14          HD13      LEU  14   4.268   0.691   2.266
  118   HD21  LEU  14          HD21      LEU  14   3.180   2.820   1.280
  119   HD22  LEU  14          HD22      LEU  14   3.227   2.007  -0.284
  120   HD23  LEU  14          HD23      LEU  14   3.970   3.595  -0.093
  121    H    VAL  15           HN       VAL  15   5.567   5.189   4.136
  122    HA   VAL  15           HA       VAL  15   8.303   5.000   5.071
  123    HB   VAL  15           HB       VAL  15   6.373   7.323   5.206
  124   HG11  VAL  15          HG11      VAL  15   8.414   8.686   5.523
  125   HG12  VAL  15          HG12      VAL  15   9.351   7.198   5.654
  126   HG13  VAL  15          HG13      VAL  15   8.119   7.572   6.859
  127   HG21  VAL  15          HG21      VAL  15   6.832   6.658   2.915
  128   HG22  VAL  15          HG22      VAL  15   8.567   6.710   3.239
  129   HG23  VAL  15          HG23      VAL  15   7.617   8.195   3.287
  130    H    GLU  16           HN       GLU  16   5.094   4.853   6.336
  131    HA   GLU  16           HA       GLU  16   5.808   5.225   9.078
  132    HB2  GLU  16           HB2      GLU  16   3.395   3.967   7.775
  133    HB3  GLU  16           HB1      GLU  16   3.554   4.225   9.507
  134    HG2  GLU  16           HG2      GLU  16   3.662   6.610   9.188
  135    HG3  GLU  16           HG1      GLU  16   3.648   6.408   7.436
  136    H    SER  17           HN       SER  17   5.554   2.456   6.920
  137    HA   SER  17           HA       SER  17   5.989   0.559   9.047
  138    HB2  SER  17           HB2      SER  17   6.142  -1.070   7.106
  139    HB3  SER  17           HB1      SER  17   4.620  -0.190   7.246
  140    HG   SER  17           HG       SER  17   5.145   0.030   5.150
  141    H    ALA  18           HN       ALA  18   7.832   1.365   6.095
  142    HA   ALA  18           HA       ALA  18  10.247   0.351   7.427
  143    HB1  ALA  18           HB1      ALA  18   9.760  -0.636   5.261
  144    HB2  ALA  18           HB2      ALA  18  11.243   0.317   5.180
  145    HB3  ALA  18           HB3      ALA  18   9.742   0.962   4.514
  146    H    GLY  19           HN       GLY  19   9.305   3.059   5.305
  147    HA2  GLY  19           HA2      GLY  19   9.706   5.337   5.930
  148    HA3  GLY  19           HA1      GLY  19  11.060   4.791   6.908
  149    H    GLU  20           HN       GLU  20  11.088   6.870   4.982
  150    HA   GLU  20           HA       GLU  20  12.328   6.010   2.582
  151    HB2  GLU  20           HB2      GLU  20  12.408   8.706   3.956
  152    HB3  GLU  20           HB1      GLU  20  12.925   8.390   2.304
  153    HG2  GLU  20           HG2      GLU  20  10.686   7.816   1.655
  154    HG3  GLU  20           HG1      GLU  20  10.125   7.953   3.322
  155    H    THR  21           HN       THR  21  14.177   4.925   2.623
  156    HA   THR  21           HA       THR  21  16.271   5.770   4.500
  157    HB   THR  21           HB       THR  21  17.198   3.418   4.014
  158    HG1  THR  21           HG1      THR  21  14.583   2.589   3.570
  159   HG21  THR  21          HG21      THR  21  15.736   2.417   5.729
  160   HG22  THR  21          HG22      THR  21  14.628   3.778   5.551
  161   HG23  THR  21          HG23      THR  21  16.259   4.045   6.164
  162    H    ASP  22           HN       ASP  22  16.997   3.565   1.990
  163    HA   ASP  22           HA       ASP  22  18.208   5.604   0.292
  164    HB2  ASP  22           HB2      ASP  22  19.811   4.800   2.207
  165    HB3  ASP  22           HB1      ASP  22  19.961   3.345   1.229
  166    H    GLY  23           HN       GLY  23  18.982   4.674  -1.764
  167    HA2  GLY  23           HA2      GLY  23  18.927   3.136  -3.503
  168    HA3  GLY  23           HA1      GLY  23  18.335   1.932  -2.366
  169    H    THR  24           HN       THR  24  16.020   2.521  -1.547
  170    HA   THR  24           HA       THR  24  14.413   2.827  -3.972
  171    HB   THR  24           HB       THR  24  13.943   0.791  -2.834
  172    HG1  THR  24           HG1      THR  24  11.690   1.571  -1.874
  173   HG21  THR  24          HG21      THR  24  13.529   2.418  -0.325
  174   HG22  THR  24          HG22      THR  24  14.848   1.288  -0.642
  175   HG23  THR  24          HG23      THR  24  13.193   0.695  -0.488
  176    H    ASP  25           HN       ASP  25  14.366   5.035  -4.207
  177    HA   ASP  25           HA       ASP  25  13.266   6.642  -2.028
  178    HB2  ASP  25           HB2      ASP  25  15.158   7.656  -3.054
  179    HB3  ASP  25           HB1      ASP  25  14.524   7.366  -4.670
  180    H    LEU  26           HN       LEU  26  11.289   7.534  -2.054
  181    HA   LEU  26           HA       LEU  26   9.473   6.538  -4.122
  182    HB2  LEU  26           HB2      LEU  26   8.971   7.527  -1.314
  183    HB3  LEU  26           HB1      LEU  26   7.686   7.151  -2.443
  184    HG   LEU  26           HG       LEU  26   8.643   4.799  -2.558
  185   HD11  LEU  26          HD11      LEU  26  10.108   5.721  -0.092
  186   HD12  LEU  26          HD12      LEU  26  10.850   5.275  -1.628
  187   HD13  LEU  26          HD13      LEU  26   9.997   4.061  -0.674
  188   HD21  LEU  26          HD21      LEU  26   7.580   4.142  -0.426
  189   HD22  LEU  26          HD22      LEU  26   6.609   5.277  -1.363
  190   HD23  LEU  26          HD23      LEU  26   7.522   5.845   0.033
  191    H    SER  27           HN       SER  27  11.226   9.169  -3.814
  192    HA   SER  27           HA       SER  27   9.198  11.198  -4.126
  193    HB2  SER  27           HB2      SER  27  12.174  11.422  -4.617
  194    HB3  SER  27           HB1      SER  27  11.038  12.746  -4.359
  195    HG   SER  27           HG       SER  27  11.898  10.774  -2.504
  196    H    GLY  28           HN       GLY  28   8.055  10.397  -5.934
  197    HA2  GLY  28           HA2      GLY  28   8.192  11.474  -8.302
  198    HA3  GLY  28           HA1      GLY  28   9.523  10.334  -8.471
  199    H    ASP  29           HN       ASP  29   9.003   8.515  -9.448
  200    HA   ASP  29           HA       ASP  29   6.209   7.599  -9.339
  201    HB2  ASP  29           HB2      ASP  29   6.709   6.303 -11.364
  202    HB3  ASP  29           HB1      ASP  29   7.065   8.010 -11.606
  203    H    PHE  30           HN       PHE  30   5.812   5.324  -9.026
  204    HA   PHE  30           HA       PHE  30   7.827   3.551  -8.133
  205    HB2  PHE  30           HB2      PHE  30   7.528   3.571  -5.760
  206    HB3  PHE  30           HB1      PHE  30   7.828   5.234  -6.246
  207    HD1  PHE  30           HD2      PHE  30   5.730   6.743  -6.571
  208    HD2  PHE  30           HD1      PHE  30   5.716   3.053  -4.434
  209    HE1  PHE  30           HE2      PHE  30   3.679   7.428  -5.393
  210    HE2  PHE  30           HE1      PHE  30   3.667   3.738  -3.261
  211    HZ   PHE  30           HZ       PHE  30   2.650   5.926  -3.736
  212    H    LEU  31           HN       LEU  31   4.519   4.486  -8.426
  213    HA   LEU  31           HA       LEU  31   3.172   2.261  -7.446
  214    HB2  LEU  31           HB2      LEU  31   2.473   4.008  -9.801
  215    HB3  LEU  31           HB1      LEU  31   1.369   2.896  -9.020
  216    HG   LEU  31           HG       LEU  31   2.640   5.270  -7.664
  217   HD11  LEU  31          HD11      LEU  31   1.100   5.956  -9.425
  218   HD12  LEU  31          HD12      LEU  31   0.446   6.304  -7.825
  219   HD13  LEU  31          HD13      LEU  31  -0.149   4.916  -8.736
  220   HD21  LEU  31          HD21      LEU  31   0.893   4.841  -5.954
  221   HD22  LEU  31          HD22      LEU  31   2.107   3.568  -6.068
  222   HD23  LEU  31          HD23      LEU  31   0.513   3.332  -6.784
  223    H    ASP  32           HN       ASP  32   5.137   2.553 -10.250
  224    HA   ASP  32           HA       ASP  32   3.955   0.249 -11.596
  225    HB2  ASP  32           HB2      ASP  32   6.319   1.951 -12.427
  226    HB3  ASP  32           HB1      ASP  32   5.477   0.776 -13.429
  227    H    LEU  33           HN       LEU  33   6.347   0.921  -9.348
  228    HA   LEU  33           HA       LEU  33   8.138  -1.214 -10.128
  229    HB2  LEU  33           HB2      LEU  33   8.138   0.567  -7.689
  230    HB3  LEU  33           HB1      LEU  33   9.413  -0.554  -8.132
  231    HG   LEU  33           HG       LEU  33   8.596   1.870  -9.745
  232   HD11  LEU  33          HD11      LEU  33  10.990   1.391  -7.974
  233   HD12  LEU  33          HD12      LEU  33   9.660   2.503  -7.650
  234   HD13  LEU  33          HD13      LEU  33  10.746   2.797  -9.008
  235   HD21  LEU  33          HD21      LEU  33  10.890  -0.064 -10.080
  236   HD22  LEU  33          HD22      LEU  33  10.631   1.403 -11.023
  237   HD23  LEU  33          HD23      LEU  33   9.482   0.071 -11.135
  238    H    ARG  34           HN       ARG  34   7.998  -3.235  -9.405
  239    HA   ARG  34           HA       ARG  34   5.802  -4.091  -7.823
  240    HB2  ARG  34           HB2      ARG  34   8.324  -5.625  -8.486
  241    HB3  ARG  34           HB1      ARG  34   6.785  -6.310  -7.974
  242    HG2  ARG  34           HG2      ARG  34   5.744  -5.625 -10.029
  243    HG3  ARG  34           HG1      ARG  34   7.200  -4.752 -10.514
  244    HD2  ARG  34           HD2      ARG  34   8.419  -6.949 -10.400
  245    HD3  ARG  34           HD1      ARG  34   6.848  -7.728 -10.219
  246    HE   ARG  34           HE       ARG  34   6.272  -6.813 -12.415
  247   HH11  ARG  34          HH11      ARG  34   9.661  -6.990 -11.519
  248   HH12  ARG  34          HH12      ARG  34  10.221  -6.935 -13.164
  249   HH21  ARG  34          HH21      ARG  34   6.997  -6.789 -14.567
  250   HH22  ARG  34          HH22      ARG  34   8.704  -6.837 -14.905
  251    H    PHE  35           HN       PHE  35   5.811  -5.025  -5.737
  252    HA   PHE  35           HA       PHE  35   7.229  -3.687  -3.768
  253    HB2  PHE  35           HB2      PHE  35   5.921  -6.411  -3.655
  254    HB3  PHE  35           HB1      PHE  35   6.535  -5.561  -2.240
  255    HD1  PHE  35           HD2      PHE  35   5.635  -3.065  -2.012
  256    HD2  PHE  35           HD1      PHE  35   3.696  -6.177  -4.163
  257    HE1  PHE  35           HE2      PHE  35   3.494  -1.872  -1.792
  258    HE2  PHE  35           HE1      PHE  35   1.547  -4.991  -3.952
  259    HZ   PHE  35           HZ       PHE  35   1.452  -2.816  -2.782
  260    H    GLU  36           HN       GLU  36   8.074  -6.617  -5.500
  261    HA   GLU  36           HA       GLU  36  10.271  -7.476  -4.004
  262    HB2  GLU  36           HB2      GLU  36   9.852  -7.609  -7.000
  263    HB3  GLU  36           HB1      GLU  36  11.049  -8.534  -6.106
  264    HG2  GLU  36           HG2      GLU  36   9.187  -9.591  -4.838
  265    HG3  GLU  36           HG1      GLU  36   8.056  -8.752  -5.899
  266    H    ASP  37           HN       ASP  37   9.939  -4.801  -6.218
  267    HA   ASP  37           HA       ASP  37  12.804  -4.521  -6.607
  268    HB2  ASP  37           HB2      ASP  37  10.464  -2.891  -7.611
  269    HB3  ASP  37           HB1      ASP  37  12.141  -2.521  -7.982
  270    H    ILE  38           HN       ILE  38  10.226  -3.002  -4.780
  271    HA   ILE  38           HA       ILE  38  11.967  -0.811  -4.001
  272    HB   ILE  38           HB       ILE  38  10.011   0.001  -2.677
  273   HG12  ILE  38          HG12      ILE  38   8.561  -2.271  -4.062
  274   HG13  ILE  38          HG11      ILE  38   8.941  -2.215  -2.345
  275   HG21  ILE  38          HG21      ILE  38   9.494  -0.531  -5.603
  276   HG22  ILE  38          HG22      ILE  38  10.488   0.772  -4.952
  277   HG23  ILE  38          HG23      ILE  38   8.756   0.738  -4.627
  278   HD11  ILE  38          HD11      ILE  38   6.620  -1.607  -2.807
  279   HD12  ILE  38          HD12      ILE  38   7.180  -0.254  -3.790
  280   HD13  ILE  38          HD13      ILE  38   7.518  -0.287  -2.059
  281    H    GLY  39           HN       GLY  39  12.065  -3.804  -3.129
  282    HA2  GLY  39           HA2      GLY  39  13.247  -4.768  -1.414
  283    HA3  GLY  39           HA1      GLY  39  13.469  -3.164  -0.744
  284    H    TYR  40           HN       TYR  40  10.343  -4.748  -1.310
  285    HA   TYR  40           HA       TYR  40  10.001  -4.756   1.604
  286    HB2  TYR  40           HB2      TYR  40   8.053  -4.412  -0.640
  287    HB3  TYR  40           HB1      TYR  40   7.496  -5.026   0.917
  288    HD1  TYR  40           HD1      TYR  40   9.237  -2.173  -0.695
  289    HD2  TYR  40           HD2      TYR  40   7.142  -3.567   2.728
  290    HE1  TYR  40           HE1      TYR  40   9.103   0.130   0.156
  291    HE2  TYR  40           HE2      TYR  40   7.007  -1.270   3.596
  292    HH   TYR  40           HH       TYR  40   7.730   1.451   1.679
  293    H    ASP  41           HN       ASP  41  10.021  -6.554   2.634
  294    HA   ASP  41           HA       ASP  41  10.434  -9.002   1.209
  295    HB2  ASP  41           HB2      ASP  41  10.921  -9.946   3.431
  296    HB3  ASP  41           HB1      ASP  41  11.804  -8.453   3.154
  297    H    SER  42           HN       SER  42   8.203  -8.110   3.812
  298    HA   SER  42           HA       SER  42   5.862  -9.221   2.840
  299    HB2  SER  42           HB2      SER  42   5.793 -11.388   4.099
  300    HB3  SER  42           HB1      SER  42   7.010 -11.392   2.816
  301    H    LEU  43           HN       LEU  43   7.902  -9.229   5.729
  302    HA   LEU  43           HA       LEU  43   5.845  -8.722   7.594
  303    HB2  LEU  43           HB2      LEU  43   8.417  -9.430   7.801
  304    HB3  LEU  43           HB1      LEU  43   8.604  -7.713   8.088
  305    HG   LEU  43           HG       LEU  43   8.460  -8.968  10.179
  306   HD11  LEU  43          HD11      LEU  43   6.674  -7.687  11.256
  307   HD12  LEU  43          HD12      LEU  43   6.053  -7.230   9.670
  308   HD13  LEU  43          HD13      LEU  43   7.652  -6.689  10.181
  309   HD21  LEU  43          HD21      LEU  43   7.115 -10.833   9.432
  310   HD22  LEU  43          HD22      LEU  43   5.726  -9.771   9.200
  311   HD23  LEU  43          HD23      LEU  43   6.358 -10.056  10.823
  312    H    ALA  44           HN       ALA  44   8.145  -6.588   5.911
  313    HA   ALA  44           HA       ALA  44   7.186  -4.173   7.015
  314    HB1  ALA  44           HB1      ALA  44   8.333  -3.071   5.162
  315    HB2  ALA  44           HB2      ALA  44   8.514  -4.625   4.349
  316    HB3  ALA  44           HB3      ALA  44   9.341  -4.330   5.878
  317    H    LEU  45           HN       LEU  45   5.987  -6.231   4.513
  318    HA   LEU  45           HA       LEU  45   4.337  -4.267   3.244
  319    HB2  LEU  45           HB2      LEU  45   5.188  -6.312   2.108
  320    HB3  LEU  45           HB1      LEU  45   4.141  -7.279   3.130
  321    HG   LEU  45           HG       LEU  45   2.177  -6.078   2.146
  322   HD11  LEU  45          HD11      LEU  45   2.478  -4.834   0.084
  323   HD12  LEU  45          HD12      LEU  45   4.226  -5.021   0.208
  324   HD13  LEU  45          HD13      LEU  45   3.354  -4.062   1.405
  325   HD21  LEU  45          HD21      LEU  45   2.834  -8.284   1.360
  326   HD22  LEU  45          HD22      LEU  45   3.966  -7.553   0.222
  327   HD23  LEU  45          HD23      LEU  45   2.233  -7.298   0.026
  328    H    MET  46           HN       MET  46   3.771  -6.902   5.580
  329    HA   MET  46           HA       MET  46   0.975  -6.466   5.732
  330    HB2  MET  46           HB2      MET  46   0.992  -7.966   7.645
  331    HB3  MET  46           HB1      MET  46   1.988  -8.607   6.349
  332    HG2  MET  46           HG2      MET  46   3.992  -7.929   7.495
  333    HG3  MET  46           HG1      MET  46   3.043  -7.155   8.763
  334    HE1  MET  46           HE1      MET  46   0.682  -9.240   9.167
  335    HE2  MET  46           HE2      MET  46   1.548  -8.498  10.514
  336    HE3  MET  46           HE3      MET  46   1.327 -10.247  10.461
  337    H    GLU  47           HN       GLU  47   3.698  -5.121   7.496
  338    HA   GLU  47           HA       GLU  47   2.228  -3.884   9.559
  339    HB2  GLU  47           HB2      GLU  47   4.830  -3.039   8.270
  340    HB3  GLU  47           HB1      GLU  47   4.182  -2.357   9.754
  341    HG2  GLU  47           HG2      GLU  47   4.996  -5.224   9.335
  342    HG3  GLU  47           HG1      GLU  47   5.916  -3.997  10.204
  343    H    THR  48           HN       THR  48   3.053  -2.878   6.295
  344    HA   THR  48           HA       THR  48   2.102  -0.241   6.433
  345    HB   THR  48           HB       THR  48   2.146  -2.030   3.996
  346    HG1  THR  48           HG1      THR  48   4.224  -2.040   4.727
  347   HG21  THR  48          HG21      THR  48   0.923   0.048   3.649
  348   HG22  THR  48          HG22      THR  48   2.454   0.087   2.775
  349   HG23  THR  48          HG23      THR  48   2.281   0.973   4.290
  350    H    ALA  49           HN       ALA  49   0.481  -3.292   5.863
  351    HA   ALA  49           HA       ALA  49  -1.915  -2.442   4.745
  352    HB1  ALA  49           HB1      ALA  49  -2.852  -4.526   5.516
  353    HB2  ALA  49           HB2      ALA  49  -1.558  -4.708   6.702
  354    HB3  ALA  49           HB3      ALA  49  -1.193  -4.794   4.981
  355    H    ALA  50           HN       ALA  50  -0.980  -2.665   8.153
  356    HA   ALA  50           HA       ALA  50  -3.514  -2.162   9.267
  357    HB1  ALA  50           HB1      ALA  50  -1.712  -3.111  10.581
  358    HB2  ALA  50           HB2      ALA  50  -2.285  -1.620  11.327
  359    HB3  ALA  50           HB3      ALA  50  -0.778  -1.626  10.412
  360    H    ARG  51           HN       ARG  51  -1.022  -0.086   8.043
  361    HA   ARG  51           HA       ARG  51  -1.894   2.335   9.220
  362    HB2  ARG  51           HB2      ARG  51  -0.256   1.811   6.736
  363    HB3  ARG  51           HB1      ARG  51  -0.468   3.389   7.472
  364    HG2  ARG  51           HG2      ARG  51   0.789   1.013   8.813
  365    HG3  ARG  51           HG1      ARG  51   1.666   2.356   8.075
  366    HD2  ARG  51           HD2      ARG  51   0.862   3.897   9.666
  367    HD3  ARG  51           HD1      ARG  51  -0.386   2.787  10.224
  368    HE   ARG  51           HE       ARG  51   1.596   1.410  11.039
  369   HH11  ARG  51          HH11      ARG  51   1.646   4.916  10.824
  370   HH12  ARG  51          HH12      ARG  51   2.685   5.096  12.213
  371   HH21  ARG  51          HH21      ARG  51   2.947   1.651  12.838
  372   HH22  ARG  51          HH22      ARG  51   3.447   3.241  13.348
  373    H    LEU  52           HN       LEU  52  -2.743   0.622   6.292
  374    HA   LEU  52           HA       LEU  52  -4.331   2.817   5.271
  375    HB2  LEU  52           HB2      LEU  52  -4.204  -0.047   4.320
  376    HB3  LEU  52           HB1      LEU  52  -4.894   1.313   3.452
  377    HG   LEU  52           HG       LEU  52  -1.970   1.063   4.167
  378   HD11  LEU  52          HD11      LEU  52  -3.360   0.560   1.540
  379   HD12  LEU  52          HD12      LEU  52  -2.629  -0.665   2.579
  380   HD13  LEU  52          HD13      LEU  52  -1.617   0.556   1.807
  381   HD21  LEU  52          HD21      LEU  52  -1.671   2.918   2.634
  382   HD22  LEU  52          HD22      LEU  52  -2.797   3.367   3.915
  383   HD23  LEU  52          HD23      LEU  52  -3.405   2.958   2.311
  384    H    GLU  53           HN       GLU  53  -4.905  -0.403   6.632
  385    HA   GLU  53           HA       GLU  53  -7.682  -0.433   6.383
  386    HB2  GLU  53           HB2      GLU  53  -5.933  -1.780   8.446
  387    HB3  GLU  53           HB1      GLU  53  -7.628  -2.160   8.171
  388    HG2  GLU  53           HG2      GLU  53  -7.122  -2.870   5.905
  389    HG3  GLU  53           HG1      GLU  53  -5.428  -2.446   6.138
  390    H    SER  54           HN       SER  54  -5.698   0.502   9.194
  391    HA   SER  54           HA       SER  54  -7.912   1.120  10.845
  392    HB2  SER  54           HB2      SER  54  -5.608   0.558  11.652
  393    HB3  SER  54           HB1      SER  54  -5.079   2.152  11.117
  394    HG   SER  54           HG       SER  54  -7.066   1.576  13.068
  395    H    ARG  55           HN       ARG  55  -6.368   2.864   8.327
  396    HA   ARG  55           HA       ARG  55  -7.056   5.480   9.350
  397    HB2  ARG  55           HB2      ARG  55  -5.005   5.152   8.044
  398    HB3  ARG  55           HB1      ARG  55  -5.960   4.645   6.659
  399    HG2  ARG  55           HG2      ARG  55  -6.903   6.842   6.436
  400    HG3  ARG  55           HG1      ARG  55  -6.117   7.374   7.925
  401    HD2  ARG  55           HD2      ARG  55  -4.737   6.490   5.394
  402    HD3  ARG  55           HD1      ARG  55  -4.882   8.150   5.978
  403    HE   ARG  55           HE       ARG  55  -3.694   6.907   8.045
  404   HH11  ARG  55          HH11      ARG  55  -2.935   7.014   4.627
  405   HH12  ARG  55          HH12      ARG  55  -1.237   6.769   4.879
  406   HH21  ARG  55          HH21      ARG  55  -1.484   6.606   8.371
  407   HH22  ARG  55          HH22      ARG  55  -0.399   6.525   7.010
  408    H    TYR  56           HN       TYR  56  -8.135   3.381   6.685
  409    HA   TYR  56           HA       TYR  56 -10.265   5.307   6.103
  410    HB2  TYR  56           HB2      TYR  56  -9.330   2.920   4.508
  411    HB3  TYR  56           HB1      TYR  56 -10.534   4.096   3.988
  412    HD1  TYR  56           HD2      TYR  56  -9.827   6.470   3.574
  413    HD2  TYR  56           HD1      TYR  56  -7.004   3.362   4.267
  414    HE1  TYR  56           HE2      TYR  56  -8.057   7.866   2.594
  415    HE2  TYR  56           HE1      TYR  56  -5.227   4.752   3.284
  416    HH   TYR  56           HH       TYR  56  -4.920   6.612   1.852
  417    H    GLY  57           HN       GLY  57  -9.915   2.771   8.080
  418    HA2  GLY  57           HA2      GLY  57 -11.463   1.528   9.245
  419    HA3  GLY  57           HA1      GLY  57 -12.720   2.405   8.387
  420    H    VAL  58           HN       VAL  58 -10.177   0.509   6.900
  421    HA   VAL  58           HA       VAL  58 -12.259  -1.240   5.772
  422    HB   VAL  58           HB       VAL  58 -10.804  -1.598   3.853
  423   HG11  VAL  58          HG11      VAL  58 -12.363   0.254   3.756
  424   HG12  VAL  58          HG12      VAL  58 -10.884   0.645   2.876
  425   HG13  VAL  58          HG13      VAL  58 -11.163   1.325   4.479
  426   HG21  VAL  58          HG21      VAL  58  -8.737  -0.305   3.558
  427   HG22  VAL  58          HG22      VAL  58  -8.636  -1.403   4.936
  428   HG23  VAL  58          HG23      VAL  58  -8.903   0.321   5.199
  429    H    SER  59           HN       SER  59 -10.860  -3.262   4.770
  430    HA   SER  59           HA       SER  59  -8.799  -4.218   6.514
  431    HB2  SER  59           HB2      SER  59 -10.066  -6.355   6.984
  432    HB3  SER  59           HB1      SER  59 -10.643  -4.934   7.851
  433    HG   SER  59           HG       SER  59 -11.859  -5.284   5.419
  434    H    ILE  60           HN       ILE  60  -7.474  -5.566   5.421
  435    HA   ILE  60           HA       ILE  60  -8.144  -5.966   2.596
  436    HB   ILE  60           HB       ILE  60  -5.468  -6.273   3.970
  437   HG12  ILE  60          HG12      ILE  60  -6.535  -3.965   2.327
  438   HG13  ILE  60          HG11      ILE  60  -6.358  -3.959   4.078
  439   HG21  ILE  60          HG21      ILE  60  -6.206  -6.120   1.050
  440   HG22  ILE  60          HG22      ILE  60  -5.631  -7.550   1.907
  441   HG23  ILE  60          HG23      ILE  60  -4.563  -6.164   1.687
  442   HD11  ILE  60          HD11      ILE  60  -4.129  -4.217   2.078
  443   HD12  ILE  60          HD12      ILE  60  -3.947  -4.210   3.834
  444   HD13  ILE  60          HD13      ILE  60  -4.544  -2.774   3.001
  445    HA   PRO  61           HA       PRO  61  -8.902 -10.302   3.557
  446    HB2  PRO  61           HB2      PRO  61  -9.089 -10.506   0.621
  447    HB3  PRO  61           HB1      PRO  61 -10.283 -10.923   1.853
  448    HG2  PRO  61           HG2      PRO  61 -10.594  -8.778   0.287
  449    HG3  PRO  61           HG1      PRO  61 -11.094  -8.764   1.985
  450    HD2  PRO  61           HD2      PRO  61  -8.645  -7.595   0.728
  451    HD3  PRO  61           HD1      PRO  61  -9.700  -6.916   1.985
  452    H    ASP  62           HN       ASP  62  -7.529 -11.984   3.666
  453    HA   ASP  62           HA       ASP  62  -4.824 -11.598   3.009
  454    HB2  ASP  62           HB2      ASP  62  -4.526 -13.926   3.827
  455    HB3  ASP  62           HB1      ASP  62  -5.454 -12.916   4.929
  456    H    ASP  63           HN       ASP  63  -7.406 -13.070   1.218
  457    HA   ASP  63           HA       ASP  63  -5.686 -14.454  -0.634
  458    HB2  ASP  63           HB2      ASP  63  -7.974 -15.236  -0.368
  459    HB3  ASP  63           HB1      ASP  63  -8.602 -13.658  -0.829
  460    H    VAL  64           HN       VAL  64  -7.554 -11.455  -0.695
  461    HA   VAL  64           HA       VAL  64  -6.827 -10.812  -3.366
  462    HB   VAL  64           HB       VAL  64  -7.884  -8.914  -1.278
  463   HG11  VAL  64          HG11      VAL  64  -7.086  -7.831  -3.302
  464   HG12  VAL  64          HG12      VAL  64  -8.845  -7.742  -3.209
  465   HG13  VAL  64          HG13      VAL  64  -8.077  -8.906  -4.288
  466   HG21  VAL  64          HG21      VAL  64  -9.309 -10.884  -1.362
  467   HG22  VAL  64          HG22      VAL  64  -9.425 -10.746  -3.116
  468   HG23  VAL  64          HG23      VAL  64 -10.125  -9.498  -2.086
  469    H    ALA  65           HN       ALA  65  -5.457 -10.152  -0.235
  470    HA   ALA  65           HA       ALA  65  -3.758  -8.010  -0.865
  471    HB1  ALA  65           HB1      ALA  65  -2.466  -8.696   1.096
  472    HB2  ALA  65           HB2      ALA  65  -3.329 -10.235   1.124
  473    HB3  ALA  65           HB3      ALA  65  -4.198  -8.730   1.424
  474    H    GLY  66           HN       GLY  66  -3.449 -11.444  -1.388
  475    HA2  GLY  66           HA2      GLY  66  -0.661 -11.183  -2.204
  476    HA3  GLY  66           HA1      GLY  66  -1.561 -12.682  -2.052
  477    H    ARG  67           HN       ARG  67  -3.299 -10.330  -3.730
  478    HA   ARG  67           HA       ARG  67  -2.853 -11.773  -6.220
  479    HB2  ARG  67           HB2      ARG  67  -4.883  -9.652  -5.498
  480    HB3  ARG  67           HB1      ARG  67  -4.820 -10.503  -7.033
  481    HG2  ARG  67           HG2      ARG  67  -5.286 -11.797  -4.355
  482    HG3  ARG  67           HG1      ARG  67  -6.542 -11.379  -5.519
  483    HD2  ARG  67           HD2      ARG  67  -5.629 -12.907  -7.129
  484    HD3  ARG  67           HD1      ARG  67  -4.248 -13.241  -6.089
  485    HE   ARG  67           HE       ARG  67  -6.461 -13.906  -4.591
  486   HH11  ARG  67          HH11      ARG  67  -5.220 -14.855  -7.723
  487   HH12  ARG  67          HH12      ARG  67  -5.755 -16.503  -7.584
  488   HH21  ARG  67          HH21      ARG  67  -7.182 -16.072  -4.394
  489   HH22  ARG  67          HH22      ARG  67  -6.904 -17.184  -5.705
  490    H    VAL  68           HN       VAL  68  -2.111  -8.741  -4.734
  491    HA   VAL  68           HA       VAL  68  -1.465  -7.512  -7.305
  492    HB   VAL  68           HB       VAL  68  -1.075  -5.446  -6.034
  493   HG11  VAL  68          HG11      VAL  68  -3.712  -6.785  -5.455
  494   HG12  VAL  68          HG12      VAL  68  -3.286  -5.884  -6.911
  495   HG13  VAL  68          HG13      VAL  68  -3.404  -5.049  -5.362
  496   HG21  VAL  68          HG21      VAL  68  -1.689  -5.338  -3.647
  497   HG22  VAL  68          HG22      VAL  68  -0.291  -6.373  -3.938
  498   HG23  VAL  68          HG23      VAL  68  -1.872  -7.093  -3.634
  499    H    ASP  69           HN       ASP  69   0.579  -6.544  -7.703
  500    HA   ASP  69           HA       ASP  69   2.776  -7.359  -5.931
  501    HB2  ASP  69           HB2      ASP  69   4.177  -7.933  -7.843
  502    HB3  ASP  69           HB1      ASP  69   2.725  -8.919  -7.848
  503    H    THR  70           HN       THR  70   1.196  -4.967  -7.675
  504    HA   THR  70           HA       THR  70   3.486  -3.155  -7.337
  505    HB   THR  70           HB       THR  70   2.525  -1.848  -9.294
  506    HG1  THR  70           HG1      THR  70   1.053  -4.276  -9.540
  507   HG21  THR  70          HG21      THR  70   3.601  -3.302 -10.969
  508   HG22  THR  70          HG22      THR  70   3.615  -4.621  -9.796
  509   HG23  THR  70          HG23      THR  70   4.563  -3.162  -9.496
  510    HA   PRO  71           HA       PRO  71   1.134  -0.788  -4.512
  511    HB2  PRO  71           HB2      PRO  71   2.249   1.532  -6.021
  512    HB3  PRO  71           HB1      PRO  71   2.247   1.226  -4.282
  513    HG2  PRO  71           HG2      PRO  71   4.456   0.840  -5.690
  514    HG3  PRO  71           HG1      PRO  71   3.989  -0.320  -4.430
  515    HD2  PRO  71           HD2      PRO  71   3.783  -0.562  -7.403
  516    HD3  PRO  71           HD1      PRO  71   4.159  -1.801  -6.189
  517    H    ARG  72           HN       ARG  72   1.016   0.447  -7.854
  518    HA   ARG  72           HA       ARG  72  -1.133   2.181  -7.594
  519    HB2  ARG  72           HB2      ARG  72   0.184   2.174  -9.600
  520    HB3  ARG  72           HB1      ARG  72  -0.285   0.522  -9.971
  521    HG2  ARG  72           HG2      ARG  72  -2.605   1.259 -10.278
  522    HG3  ARG  72           HG1      ARG  72  -2.111   2.917  -9.934
  523    HD2  ARG  72           HD2      ARG  72  -1.055   1.232 -12.191
  524    HD3  ARG  72           HD1      ARG  72  -2.324   2.442 -12.342
  525    HE   ARG  72           HE       ARG  72  -0.677   4.120 -11.671
  526   HH11  ARG  72          HH11      ARG  72   0.580   1.047 -12.881
  527   HH12  ARG  72          HH12      ARG  72   2.101   1.743 -13.370
  528   HH21  ARG  72          HH21      ARG  72   1.320   4.997 -12.345
  529   HH22  ARG  72          HH22      ARG  72   2.533   3.950 -13.039
  530    H    GLU  73           HN       GLU  73  -1.170  -1.271  -8.357
  531    HA   GLU  73           HA       GLU  73  -3.946  -1.420  -8.859
  532    HB2  GLU  73           HB2      GLU  73  -2.305  -3.737  -7.872
  533    HB3  GLU  73           HB1      GLU  73  -3.663  -3.750  -8.988
  534    HG2  GLU  73           HG2      GLU  73  -0.888  -2.722  -9.541
  535    HG3  GLU  73           HG1      GLU  73  -1.622  -4.189 -10.180
  536    H    LEU  74           HN       LEU  74  -1.975  -1.893  -5.993
  537    HA   LEU  74           HA       LEU  74  -3.997  -2.886  -4.286
  538    HB2  LEU  74           HB2      LEU  74  -1.471  -2.936  -3.965
  539    HB3  LEU  74           HB1      LEU  74  -1.584  -1.258  -3.483
  540    HG   LEU  74           HG       LEU  74  -1.435  -2.983  -1.621
  541   HD11  LEU  74          HD11      LEU  74  -3.788  -1.099  -1.599
  542   HD12  LEU  74          HD12      LEU  74  -2.120  -0.686  -1.196
  543   HD13  LEU  74          HD13      LEU  74  -3.019  -1.815  -0.183
  544   HD21  LEU  74          HD21      LEU  74  -4.298  -3.470  -2.428
  545   HD22  LEU  74          HD22      LEU  74  -3.518  -4.081  -0.969
  546   HD23  LEU  74          HD23      LEU  74  -2.973  -4.626  -2.557
  547    H    LEU  75           HN       LEU  75  -2.740   0.365  -4.889
  548    HA   LEU  75           HA       LEU  75  -4.325   1.783  -3.075
  549    HB2  LEU  75           HB2      LEU  75  -2.319   2.529  -4.522
  550    HB3  LEU  75           HB1      LEU  75  -3.505   2.849  -5.768
  551    HG   LEU  75           HG       LEU  75  -3.730   4.127  -3.053
  552   HD11  LEU  75          HD11      LEU  75  -2.224   5.185  -5.443
  553   HD12  LEU  75          HD12      LEU  75  -1.493   4.627  -3.939
  554   HD13  LEU  75          HD13      LEU  75  -2.533   6.054  -3.941
  555   HD21  LEU  75          HD21      LEU  75  -4.990   5.792  -4.238
  556   HD22  LEU  75          HD22      LEU  75  -5.665   4.197  -4.575
  557   HD23  LEU  75          HD23      LEU  75  -4.657   5.000  -5.780
  558    H    ASP  76           HN       ASP  76  -4.914   1.055  -6.509
  559    HA   ASP  76           HA       ASP  76  -7.436   2.326  -6.667
  560    HB2  ASP  76           HB2      ASP  76  -6.057   1.783  -8.641
  561    HB3  ASP  76           HB1      ASP  76  -6.317   0.068  -8.345
  562    H    LEU  77           HN       LEU  77  -6.430  -0.886  -5.748
  563    HA   LEU  77           HA       LEU  77  -8.860  -2.246  -5.918
  564    HB2  LEU  77           HB2      LEU  77  -6.779  -3.422  -5.645
  565    HB3  LEU  77           HB1      LEU  77  -6.465  -2.616  -4.121
  566    HG   LEU  77           HG       LEU  77  -8.463  -3.801  -3.174
  567   HD11  LEU  77          HD11      LEU  77  -9.621  -4.313  -5.241
  568   HD12  LEU  77          HD12      LEU  77  -9.259  -5.794  -4.353
  569   HD13  LEU  77          HD13      LEU  77  -8.285  -5.344  -5.753
  570   HD21  LEU  77          HD21      LEU  77  -6.199  -5.496  -4.222
  571   HD22  LEU  77          HD22      LEU  77  -7.287  -5.935  -2.906
  572   HD23  LEU  77          HD23      LEU  77  -6.198  -4.559  -2.728
  573    H    ILE  78           HN       ILE  78  -7.362  -0.680  -3.079
  574    HA   ILE  78           HA       ILE  78  -9.491  -1.262  -1.320
  575    HB   ILE  78           HB       ILE  78  -7.443   0.951  -1.118
  576   HG12  ILE  78          HG12      ILE  78  -7.478  -1.869  -0.023
  577   HG13  ILE  78          HG11      ILE  78  -6.415  -1.254  -1.284
  578   HG21  ILE  78          HG21      ILE  78  -7.944   0.957   1.267
  579   HG22  ILE  78          HG22      ILE  78  -9.178  -0.278   1.022
  580   HG23  ILE  78          HG23      ILE  78  -9.388   1.330   0.326
  581   HD11  ILE  78          HD11      ILE  78  -6.433  -0.435   1.613
  582   HD12  ILE  78          HD12      ILE  78  -5.414   0.282   0.363
  583   HD13  ILE  78          HD13      ILE  78  -5.219  -1.417   0.792
  584    H    ASN  79           HN       ASN  79  -8.833   1.487  -3.420
  585    HA   ASN  79           HA       ASN  79 -10.881   3.160  -2.413
  586    HB2  ASN  79           HB2      ASN  79  -9.355   3.123  -5.005
  587    HB3  ASN  79           HB1      ASN  79 -10.665   4.271  -4.735
  588   HD21  ASN  79          HD21      ASN  79  -7.818   4.762  -5.095
  589   HD22  ASN  79          HD22      ASN  79  -7.281   5.605  -3.683
  590    H    GLY  80           HN       GLY  80 -10.897   0.509  -4.667
  591    HA2  GLY  80           HA2      GLY  80 -13.346   0.968  -5.945
  592    HA3  GLY  80           HA1      GLY  80 -12.667  -0.620  -5.614
  593    H    ALA  81           HN       ALA  81 -12.643  -0.430  -2.781
  594    HA   ALA  81           HA       ALA  81 -15.349  -1.189  -2.242
  595    HB1  ALA  81           HB1      ALA  81 -14.539  -1.643   0.025
  596    HB2  ALA  81           HB2      ALA  81 -13.010  -0.854  -0.364
  597    HB3  ALA  81           HB3      ALA  81 -13.474  -2.339  -1.196
  598    H    LEU  82           HN       LEU  82 -13.458   1.687  -1.796
  599    HA   LEU  82           HA       LEU  82 -15.284   2.892   0.085
  600    HB2  LEU  82           HB2      LEU  82 -12.988   4.077  -1.479
  601    HB3  LEU  82           HB1      LEU  82 -13.874   4.900  -0.212
  602    HG   LEU  82           HG       LEU  82 -12.207   2.408   0.185
  603   HD11  LEU  82          HD11      LEU  82 -10.659   3.906   1.363
  604   HD12  LEU  82          HD12      LEU  82 -11.641   5.291   0.878
  605   HD13  LEU  82          HD13      LEU  82 -10.814   4.325  -0.343
  606   HD21  LEU  82          HD21      LEU  82 -13.558   4.225   2.180
  607   HD22  LEU  82          HD22      LEU  82 -12.559   2.819   2.555
  608   HD23  LEU  82          HD23      LEU  82 -14.103   2.611   1.731
  609    H    ALA  83           HN       ALA  83 -14.655   3.028  -3.366
  610    HA   ALA  83           HA       ALA  83 -16.163   5.346  -3.944
  611    HB1  ALA  83           HB1      ALA  83 -15.539   3.035  -5.775
  612    HB2  ALA  83           HB2      ALA  83 -14.469   4.399  -5.458
  613    HB3  ALA  83           HB3      ALA  83 -16.018   4.661  -6.261
  614    H    GLU  84           HN       GLU  84 -17.072   1.998  -3.521
  615    HA   GLU  84           HA       GLU  84 -19.762   2.519  -4.496
  616    HB2  GLU  84           HB2      GLU  84 -18.425   0.024  -3.451
  617    HB3  GLU  84           HB1      GLU  84 -20.130   0.095  -3.871
  618    HG2  GLU  84           HG2      GLU  84 -19.440   0.824  -6.168
  619    HG3  GLU  84           HG1      GLU  84 -17.775   0.468  -5.706
  620    H    ALA  85           HN       ALA  85 -18.201   3.191  -1.720
  621    HA   ALA  85           HA       ALA  85 -20.432   2.488   0.048
  622    HB1  ALA  85           HB1      ALA  85 -18.187   1.881   0.819
  623    HB2  ALA  85           HB2      ALA  85 -18.931   3.068   1.890
  624    HB3  ALA  85           HB3      ALA  85 -17.699   3.575   0.734
  625    H    ALA  86           HN       ALA  86 -18.256   5.307  -0.308
  626    HA   ALA  86           HA       ALA  86 -20.619   7.041  -0.081
  627    HB1  ALA  86           HB1      ALA  86 -18.031   7.410   1.426
  628    HB2  ALA  86           HB2      ALA  86 -19.576   6.916   2.120
  629    HB3  ALA  86           HB3      ALA  86 -19.393   8.527   1.426
  630    H28  SXO  87          H28B      SXO  87   5.815 -11.712   6.470
  631   H28A  SXO  87          H28A      SXO  87   6.710 -12.798   7.539
  632    H30  SXO  87          H30A      SXO  87   3.112 -13.171   8.345
  633   H30A  SXO  87          H30C      SXO  87   4.690 -12.804   9.033
  634   H30B  SXO  87          H30B      SXO  87   3.960 -11.698   7.867
  635    H31  SXO  87          H31A      SXO  87   3.608 -12.499   5.493
  636   H31A  SXO  87          H31B      SXO  87   2.910 -14.019   6.043
  637   H31B  SXO  87          H31C      SXO  87   4.320 -14.033   4.983
  638    H32  SXO  87          H32A      SXO  87   5.567 -14.925   8.412
  639   HO33  SXO  87          H33A      SXO  87   6.350 -14.851   5.955
  640   HN36  SXO  87          H36A      SXO  87   3.113 -14.670   9.032
  641    H37  SXO  87          H37A      SXO  87   1.863 -17.233   8.687
  642   H37A  SXO  87          H37B      SXO  87   1.301 -15.905   9.703
  643    H38  SXO  87          H38B      SXO  87  -0.288 -16.398   7.925
  644   H38A  SXO  87          H38A      SXO  87   0.962 -16.128   6.716
  645   HN41  SXO  87          H41A      SXO  87  -0.626 -14.675   5.875
  646    H42  SXO  87          H42A      SXO  87  -1.379 -12.247   7.155
  647   H42A  SXO  87          H42B      SXO  87  -0.017 -12.015   6.058
  648    H43  SXO  87          H43B      SXO  87  -2.707 -13.170   5.325
  649   H43A  SXO  87          H43A      SXO  87  -2.098 -11.567   4.894
  650    H2   SXO  87           H2A      SXO  87  -1.661 -10.695   3.279
  651    H2A  SXO  87           H2B      SXO  87  -0.371 -10.241   2.168
  652    H3   SXO  87           H3B      SXO  87  -0.185  -9.955   5.161
  653    H3A  SXO  87           H3A      SXO  87   0.937  -9.328   3.949
  654    H4   SXO  87           H4A      SXO  87  -0.632  -7.629   4.897
  655    H4A  SXO  87           H4B      SXO  87  -1.960  -8.519   4.153
  656    H5   SXO  87           H5B      SXO  87   0.280  -7.043   2.801
  657    H5A  SXO  87           H5A      SXO  87  -0.708  -8.233   1.946
  658    H6   SXO  87           H6A      SXO  87  -1.847  -5.865   3.427
  659    H6A  SXO  87           H6B      SXO  87  -2.698  -6.970   2.351
  660    H7   SXO  87           H7A      SXO  87  -2.293  -4.955   1.133
  661    H7A  SXO  87           H7B      SXO  87  -1.187  -6.185   0.502
  662    H8   SXO  87           H8C      SXO  87  -0.066  -4.029   0.827
  663    H8A  SXO  87           H8A      SXO  87   0.612  -5.277   1.875
  664    H8B  SXO  87           H8B      SXO  87  -0.491  -4.070   2.538
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -14.831  16.878   5.838
    2    H2   MET   1           HT2      MET   1 -13.293  16.249   5.510
    3    H3   MET   1           HT3      MET   1 -14.240  15.572   6.742
    4    HA   MET   1           HA       MET   1 -15.847  14.801   5.162
    5    HB2  MET   1           HB2      MET   1 -13.946  15.958   3.111
    6    HB3  MET   1           HB1      MET   1 -15.369  14.991   2.748
    7    HG2  MET   1           HG2      MET   1 -16.809  16.703   3.675
    8    HG3  MET   1           HG1      MET   1 -15.405  17.654   4.151
    9    HE1  MET   1           HE1      MET   1 -16.023  15.631   0.820
   10    HE2  MET   1           HE2      MET   1 -16.674  16.900  -0.221
   11    HE3  MET   1           HE3      MET   1 -17.594  16.353   1.178
   12    H    ALA   2           HN       ALA   2 -15.242  12.956   3.426
   13    HA   ALA   2           HA       ALA   2 -13.255  11.347   4.834
   14    HB1  ALA   2           HB1      ALA   2 -15.297  10.607   2.740
   15    HB2  ALA   2           HB2      ALA   2 -15.429  10.350   4.479
   16    HB3  ALA   2           HB3      ALA   2 -14.218   9.470   3.545
   17    H    THR   3           HN       THR   3 -11.369  10.670   3.971
   18    HA   THR   3           HA       THR   3 -10.805  11.556   1.231
   19    HB   THR   3           HB       THR   3  -9.359  12.646   2.865
   20    HG1  THR   3           HG1      THR   3  -7.765  10.688   1.562
   21   HG21  THR   3          HG21      THR   3  -8.442   9.865   3.609
   22   HG22  THR   3          HG22      THR   3  -9.424  10.926   4.622
   23   HG23  THR   3          HG23      THR   3  -7.767  11.379   4.214
   24    H    LEU   4           HN       LEU   4 -10.228  10.128  -0.271
   25    HA   LEU   4           HA       LEU   4 -10.248   7.308   0.346
   26    HB2  LEU   4           HB2      LEU   4  -9.726   8.773  -2.243
   27    HB3  LEU   4           HB1      LEU   4  -9.886   7.034  -2.088
   28    HG   LEU   4           HG       LEU   4 -12.052   9.067  -1.547
   29   HD11  LEU   4          HD11      LEU   4 -13.132   8.019  -3.507
   30   HD12  LEU   4          HD12      LEU   4 -11.661   7.082  -3.779
   31   HD13  LEU   4          HD13      LEU   4 -11.622   8.841  -3.902
   32   HD21  LEU   4          HD21      LEU   4 -13.520   7.119  -1.279
   33   HD22  LEU   4          HD22      LEU   4 -12.259   7.171  -0.048
   34   HD23  LEU   4          HD23      LEU   4 -12.119   6.054  -1.408
   35    H    LEU   5           HN       LEU   5  -8.396   6.103  -1.083
   36    HA   LEU   5           HA       LEU   5  -5.951   6.797   0.306
   37    HB2  LEU   5           HB2      LEU   5  -6.931   4.439  -0.081
   38    HB3  LEU   5           HB1      LEU   5  -6.313   4.586  -1.713
   39    HG   LEU   5           HG       LEU   5  -4.556   4.799   0.735
   40   HD11  LEU   5          HD11      LEU   5  -5.150   2.385  -0.969
   41   HD12  LEU   5          HD12      LEU   5  -5.603   2.611   0.720
   42   HD13  LEU   5          HD13      LEU   5  -3.903   2.483   0.272
   43   HD21  LEU   5          HD21      LEU   5  -3.929   4.276  -2.168
   44   HD22  LEU   5          HD22      LEU   5  -2.764   4.307  -0.844
   45   HD23  LEU   5          HD23      LEU   5  -3.627   5.778  -1.294
   46    H    THR   6           HN       THR   6  -4.443   8.078  -0.536
   47    HA   THR   6           HA       THR   6  -4.481   8.547  -3.447
   48    HB   THR   6           HB       THR   6  -3.524  10.739  -3.040
   49    HG1  THR   6           HG1      THR   6  -3.826  10.499  -0.243
   50   HG21  THR   6          HG21      THR   6  -5.381  11.797  -1.844
   51   HG22  THR   6          HG22      THR   6  -5.875  10.223  -1.221
   52   HG23  THR   6          HG23      THR   6  -5.954  10.550  -2.952
   53    H    THR   7           HN       THR   7  -2.290   9.163  -4.369
   54    HA   THR   7           HA       THR   7  -0.343   7.240  -3.794
   55    HB   THR   7           HB       THR   7   1.240   8.870  -5.035
   56    HG1  THR   7           HG1      THR   7  -0.755  10.521  -4.657
   57   HG21  THR   7          HG21      THR   7   0.250   8.245  -7.189
   58   HG22  THR   7          HG22      THR   7  -1.247   7.797  -6.369
   59   HG23  THR   7          HG23      THR   7   0.238   6.896  -6.052
   60    H    ASP   8           HN       ASP   8  -0.808  10.481  -2.489
   61    HA   ASP   8           HA       ASP   8   1.741  10.582  -1.194
   62    HB2  ASP   8           HB2      ASP   8   0.475  12.636  -1.710
   63    HB3  ASP   8           HB1      ASP   8  -0.775  12.144  -0.569
   64    H    ASP   9           HN       ASP   9  -1.545   9.769  -0.117
   65    HA   ASP   9           HA       ASP   9  -0.947   9.238   2.565
   66    HB2  ASP   9           HB2      ASP   9  -3.071   8.234   0.698
   67    HB3  ASP   9           HB1      ASP   9  -2.925   7.554   2.315
   68    H    LEU  10           HN       LEU  10  -1.053   7.027  -0.211
   69    HA   LEU  10           HA       LEU  10  -0.240   4.723   1.165
   70    HB2  LEU  10           HB2      LEU  10  -1.209   4.747  -1.113
   71    HB3  LEU  10           HB1      LEU  10   0.272   5.462  -1.719
   72    HG   LEU  10           HG       LEU  10   1.510   3.422  -1.069
   73   HD11  LEU  10          HD11      LEU  10  -1.212   2.296  -0.408
   74   HD12  LEU  10          HD12      LEU  10   0.040   2.702   0.768
   75   HD13  LEU  10          HD13      LEU  10   0.318   1.417  -0.408
   76   HD21  LEU  10          HD21      LEU  10  -0.886   2.934  -2.830
   77   HD22  LEU  10          HD22      LEU  10   0.601   1.985  -2.820
   78   HD23  LEU  10          HD23      LEU  10   0.633   3.674  -3.326
   79    H    ARG  11           HN       ARG  11   1.637   7.159  -0.596
   80    HA   ARG  11           HA       ARG  11   4.177   6.095  -0.347
   81    HB2  ARG  11           HB2      ARG  11   3.656   8.064  -1.711
   82    HB3  ARG  11           HB1      ARG  11   3.348   9.000  -0.255
   83    HG2  ARG  11           HG2      ARG  11   5.638   8.908   0.376
   84    HG3  ARG  11           HG1      ARG  11   6.002   7.756  -0.912
   85    HD2  ARG  11           HD2      ARG  11   6.728   9.982  -1.534
   86    HD3  ARG  11           HD1      ARG  11   5.419   9.444  -2.579
   87    HE   ARG  11           HE       ARG  11   4.211  10.881  -0.575
   88   HH11  ARG  11          HH11      ARG  11   6.623  11.506  -3.061
   89   HH12  ARG  11          HH12      ARG  11   6.241  13.201  -3.164
   90   HH21  ARG  11          HH21      ARG  11   3.706  13.113  -0.747
   91   HH22  ARG  11          HH22      ARG  11   4.610  14.101  -1.864
   92    H    ARG  12           HN       ARG  12   2.465   8.261   1.903
   93    HA   ARG  12           HA       ARG  12   4.578   8.341   3.799
   94    HB2  ARG  12           HB2      ARG  12   1.634   8.945   4.114
   95    HB3  ARG  12           HB1      ARG  12   2.850   9.265   5.341
   96    HG2  ARG  12           HG2      ARG  12   4.014  10.749   3.722
   97    HG3  ARG  12           HG1      ARG  12   2.666  10.512   2.607
   98    HD2  ARG  12           HD2      ARG  12   2.354  12.578   3.823
   99    HD3  ARG  12           HD1      ARG  12   1.134  11.409   4.329
  100    HE   ARG  12           HE       ARG  12   3.300  11.186   6.067
  101   HH11  ARG  12          HH11      ARG  12   0.856  13.538   5.193
  102   HH12  ARG  12          HH12      ARG  12   0.852  14.290   6.760
  103   HH21  ARG  12          HH21      ARG  12   3.295  12.194   8.134
  104   HH22  ARG  12          HH22      ARG  12   2.221  13.534   8.425
  105    H    ALA  13           HN       ALA  13   1.760   6.290   3.381
  106    HA   ALA  13           HA       ALA  13   1.709   5.062   5.886
  107    HB1  ALA  13           HB1      ALA  13   0.951   3.891   3.206
  108    HB2  ALA  13           HB2      ALA  13  -0.095   4.855   4.255
  109    HB3  ALA  13           HB3      ALA  13   0.460   3.267   4.783
  110    H    LEU  14           HN       LEU  14   3.488   4.216   2.954
  111    HA   LEU  14           HA       LEU  14   4.628   1.834   3.962
  112    HB2  LEU  14           HB2      LEU  14   5.468   3.689   1.744
  113    HB3  LEU  14           HB1      LEU  14   6.247   2.152   2.074
  114    HG   LEU  14           HG       LEU  14   3.337   1.962   1.764
  115   HD11  LEU  14          HD11      LEU  14   5.055   2.893  -0.526
  116   HD12  LEU  14          HD12      LEU  14   3.618   3.675   0.137
  117   HD13  LEU  14          HD13      LEU  14   3.471   2.141  -0.721
  118   HD21  LEU  14          HD21      LEU  14   3.957   0.041   0.402
  119   HD22  LEU  14          HD22      LEU  14   4.831   0.024   1.931
  120   HD23  LEU  14          HD23      LEU  14   5.649   0.530   0.453
  121    H    VAL  15           HN       VAL  15   5.634   5.204   4.016
  122    HA   VAL  15           HA       VAL  15   8.242   4.708   5.075
  123    HB   VAL  15           HB       VAL  15   6.609   7.250   5.171
  124   HG11  VAL  15          HG11      VAL  15   9.571   6.809   5.516
  125   HG12  VAL  15          HG12      VAL  15   8.433   7.277   6.779
  126   HG13  VAL  15          HG13      VAL  15   8.770   8.377   5.442
  127   HG21  VAL  15          HG21      VAL  15   8.669   6.345   3.160
  128   HG22  VAL  15          HG22      VAL  15   7.873   7.918   3.183
  129   HG23  VAL  15          HG23      VAL  15   6.932   6.458   2.882
  130    H    GLU  16           HN       GLU  16   5.094   5.480   6.470
  131    HA   GLU  16           HA       GLU  16   5.863   5.764   9.152
  132    HB2  GLU  16           HB2      GLU  16   3.290   4.739   7.936
  133    HB3  GLU  16           HB1      GLU  16   3.492   5.062   9.652
  134    HG2  GLU  16           HG2      GLU  16   3.744   7.373   9.296
  135    HG3  GLU  16           HG1      GLU  16   3.963   7.164   7.560
  136    H    SER  17           HN       SER  17   5.288   2.930   7.185
  137    HA   SER  17           HA       SER  17   5.446   1.094   9.411
  138    HB2  SER  17           HB2      SER  17   5.557   0.495   6.449
  139    HB3  SER  17           HB1      SER  17   5.144  -0.627   7.748
  140    HG   SER  17           HG       SER  17   3.657   1.561   6.751
  141    H    ALA  18           HN       ALA  18   7.428   1.757   6.525
  142    HA   ALA  18           HA       ALA  18   9.772   0.802   8.025
  143    HB1  ALA  18           HB1      ALA  18   9.259   0.422   5.075
  144    HB2  ALA  18           HB2      ALA  18   9.112  -0.831   6.309
  145    HB3  ALA  18           HB3      ALA  18  10.685  -0.111   5.967
  146    H    GLY  19           HN       GLY  19  10.398   2.855   8.632
  147    HA2  GLY  19           HA2      GLY  19  11.075   4.688   6.418
  148    HA3  GLY  19           HA1      GLY  19  10.650   5.213   8.041
  149    H    GLU  20           HN       GLU  20  13.116   3.667   6.079
  150    HA   GLU  20           HA       GLU  20  15.044   4.252   8.220
  151    HB2  GLU  20           HB2      GLU  20  16.508   2.533   7.121
  152    HB3  GLU  20           HB1      GLU  20  15.044   1.904   7.853
  153    HG2  GLU  20           HG2      GLU  20  14.976   0.757   5.915
  154    HG3  GLU  20           HG1      GLU  20  14.123   2.207   5.392
  155    H    THR  21           HN       THR  21  17.329   4.614   7.239
  156    HA   THR  21           HA       THR  21  16.975   6.731   5.219
  157    HB   THR  21           HB       THR  21  19.190   6.621   7.238
  158    HG1  THR  21           HG1      THR  21  16.510   7.212   7.616
  159   HG21  THR  21          HG21      THR  21  17.891   8.889   5.719
  160   HG22  THR  21          HG22      THR  21  19.476   8.187   5.387
  161   HG23  THR  21          HG23      THR  21  19.201   9.068   6.890
  162    H    ASP  22           HN       ASP  22  17.345   4.398   4.077
  163    HA   ASP  22           HA       ASP  22  20.119   4.579   3.139
  164    HB2  ASP  22           HB2      ASP  22  19.959   2.637   4.652
  165    HB3  ASP  22           HB1      ASP  22  18.640   1.999   3.677
  166    H    GLY  23           HN       GLY  23  17.082   2.818   2.408
  167    HA2  GLY  23           HA2      GLY  23  17.467   3.639  -0.412
  168    HA3  GLY  23           HA1      GLY  23  17.097   1.975   0.007
  169    H    THR  24           HN       THR  24  15.497   4.101   2.058
  170    HA   THR  24           HA       THR  24  12.969   3.451   0.853
  171    HB   THR  24           HB       THR  24  13.486   5.325   3.168
  172    HG1  THR  24           HG1      THR  24  14.365   3.246   3.595
  173   HG21  THR  24          HG21      THR  24  11.035   3.723   2.415
  174   HG22  THR  24          HG22      THR  24  11.221   5.467   2.225
  175   HG23  THR  24          HG23      THR  24  11.205   4.751   3.836
  176    H    ASP  25           HN       ASP  25  13.309   4.552  -1.222
  177    HA   ASP  25           HA       ASP  25  12.669   7.420  -0.989
  178    HB2  ASP  25           HB2      ASP  25  14.857   7.131  -2.037
  179    HB3  ASP  25           HB1      ASP  25  14.159   6.049  -3.238
  180    H    LEU  26           HN       LEU  26  10.583   7.660  -1.316
  181    HA   LEU  26           HA       LEU  26   9.382   6.330  -3.654
  182    HB2  LEU  26           HB2      LEU  26   8.024   7.204  -1.098
  183    HB3  LEU  26           HB1      LEU  26   7.206   6.532  -2.494
  184    HG   LEU  26           HG       LEU  26   9.206   5.067  -0.761
  185   HD11  LEU  26          HD11      LEU  26   7.256   3.766  -0.046
  186   HD12  LEU  26          HD12      LEU  26   6.209   4.832  -0.983
  187   HD13  LEU  26          HD13      LEU  26   7.111   5.468   0.394
  188   HD21  LEU  26          HD21      LEU  26   8.533   3.092  -2.033
  189   HD22  LEU  26          HD22      LEU  26   9.259   4.305  -3.086
  190   HD23  LEU  26          HD23      LEU  26   7.508   4.092  -3.060
  191    H    SER  27           HN       SER  27  10.852   8.668  -3.815
  192    HA   SER  27           HA       SER  27   9.582  11.067  -3.297
  193    HB2  SER  27           HB2      SER  27  11.112  11.925  -5.187
  194    HB3  SER  27           HB1      SER  27  11.875  11.158  -3.793
  195    HG   SER  27           HG       SER  27  12.352   9.403  -4.981
  196    H    GLY  28           HN       GLY  28   9.856   9.657  -6.571
  197    HA2  GLY  28           HA2      GLY  28   7.652  11.369  -7.411
  198    HA3  GLY  28           HA1      GLY  28   8.697  10.426  -8.465
  199    H    ASP  29           HN       ASP  29   7.935   8.582  -9.265
  200    HA   ASP  29           HA       ASP  29   5.379   7.602  -8.201
  201    HB2  ASP  29           HB2      ASP  29   5.220   8.279 -10.523
  202    HB3  ASP  29           HB1      ASP  29   6.598   7.268 -10.949
  203    H    PHE  30           HN       PHE  30   5.030   5.422  -7.930
  204    HA   PHE  30           HA       PHE  30   7.272   3.581  -8.129
  205    HB2  PHE  30           HB2      PHE  30   6.914   2.830  -5.757
  206    HB3  PHE  30           HB1      PHE  30   7.593   4.449  -5.903
  207    HD1  PHE  30           HD2      PHE  30   6.248   6.415  -5.355
  208    HD2  PHE  30           HD1      PHE  30   4.708   2.477  -4.866
  209    HE1  PHE  30           HE2      PHE  30   4.436   7.298  -3.942
  210    HE2  PHE  30           HE1      PHE  30   2.899   3.358  -3.456
  211    HZ   PHE  30           HZ       PHE  30   2.757   5.773  -3.000
  212    H    LEU  31           HN       LEU  31   4.085   4.283  -8.596
  213    HA   LEU  31           HA       LEU  31   2.693   2.047  -7.622
  214    HB2  LEU  31           HB2      LEU  31   2.054   3.738 -10.032
  215    HB3  LEU  31           HB1      LEU  31   0.946   2.623  -9.255
  216    HG   LEU  31           HG       LEU  31   2.029   5.217  -8.161
  217   HD11  LEU  31          HD11      LEU  31  -0.760   4.219  -8.705
  218   HD12  LEU  31          HD12      LEU  31   0.128   5.410  -9.658
  219   HD13  LEU  31          HD13      LEU  31  -0.343   5.780  -8.000
  220   HD21  LEU  31          HD21      LEU  31   2.093   3.630  -6.345
  221   HD22  LEU  31          HD22      LEU  31   0.461   3.078  -6.724
  222   HD23  LEU  31          HD23      LEU  31   0.720   4.717  -6.124
  223    H    ASP  32           HN       ASP  32   4.766   2.351 -10.349
  224    HA   ASP  32           HA       ASP  32   3.631   0.038 -11.712
  225    HB2  ASP  32           HB2      ASP  32   4.263   2.005 -13.040
  226    HB3  ASP  32           HB1      ASP  32   5.922   1.866 -12.473
  227    H    LEU  33           HN       LEU  33   6.054   0.703  -9.442
  228    HA   LEU  33           HA       LEU  33   7.802  -1.473 -10.267
  229    HB2  LEU  33           HB2      LEU  33   7.967   0.555  -8.045
  230    HB3  LEU  33           HB1      LEU  33   9.091  -0.783  -8.176
  231    HG   LEU  33           HG       LEU  33  10.171   1.119  -9.092
  232   HD11  LEU  33          HD11      LEU  33   9.130  -0.589 -11.342
  233   HD12  LEU  33          HD12      LEU  33  10.548  -0.907 -10.344
  234   HD13  LEU  33          HD13      LEU  33  10.531   0.479 -11.435
  235   HD21  LEU  33          HD21      LEU  33   8.280   2.569  -9.454
  236   HD22  LEU  33          HD22      LEU  33   7.709   1.550 -10.775
  237   HD23  LEU  33          HD23      LEU  33   9.222   2.444 -10.941
  238    H    ARG  34           HN       ARG  34   7.923  -3.427  -9.310
  239    HA   ARG  34           HA       ARG  34   5.731  -4.286  -7.702
  240    HB2  ARG  34           HB2      ARG  34   8.298  -5.756  -8.326
  241    HB3  ARG  34           HB1      ARG  34   6.795  -6.474  -7.756
  242    HG2  ARG  34           HG2      ARG  34   5.689  -5.815  -9.831
  243    HG3  ARG  34           HG1      ARG  34   7.189  -5.077 -10.397
  244    HD2  ARG  34           HD2      ARG  34   7.089  -7.194 -11.425
  245    HD3  ARG  34           HD1      ARG  34   8.257  -7.352 -10.113
  246    HE   ARG  34           HE       ARG  34   5.845  -8.134  -9.044
  247   HH11  ARG  34          HH11      ARG  34   7.905  -9.154 -11.688
  248   HH12  ARG  34          HH12      ARG  34   7.331 -10.792 -11.662
  249   HH21  ARG  34          HH21      ARG  34   5.093 -10.283  -9.008
  250   HH22  ARG  34          HH22      ARG  34   5.744 -11.437 -10.149
  251    H    PHE  35           HN       PHE  35   5.680  -4.893  -5.556
  252    HA   PHE  35           HA       PHE  35   7.137  -3.422  -3.712
  253    HB2  PHE  35           HB2      PHE  35   5.746  -6.074  -3.273
  254    HB3  PHE  35           HB1      PHE  35   6.258  -4.977  -1.997
  255    HD1  PHE  35           HD2      PHE  35   5.355  -2.484  -2.337
  256    HD2  PHE  35           HD1      PHE  35   3.541  -6.002  -3.894
  257    HE1  PHE  35           HE2      PHE  35   3.205  -1.301  -2.492
  258    HE2  PHE  35           HE1      PHE  35   1.385  -4.824  -4.058
  259    HZ   PHE  35           HZ       PHE  35   1.193  -2.510  -3.293
  260    H    GLU  36           HN       GLU  36   7.739  -6.658  -4.953
  261    HA   GLU  36           HA       GLU  36   9.705  -7.537  -3.198
  262    HB2  GLU  36           HB2      GLU  36   9.673  -8.095  -6.167
  263    HB3  GLU  36           HB1      GLU  36  10.314  -9.123  -4.895
  264    HG2  GLU  36           HG2      GLU  36   7.403  -8.420  -5.171
  265    HG3  GLU  36           HG1      GLU  36   8.138  -9.858  -5.872
  266    H    ASP  37           HN       ASP  37   9.932  -5.294  -5.876
  267    HA   ASP  37           HA       ASP  37  12.828  -5.454  -5.980
  268    HB2  ASP  37           HB2      ASP  37  10.725  -4.107  -7.610
  269    HB3  ASP  37           HB1      ASP  37  12.366  -3.467  -7.662
  270    H    ILE  38           HN       ILE  38  10.375  -3.263  -4.754
  271    HA   ILE  38           HA       ILE  38  12.307  -1.120  -4.434
  272    HB   ILE  38           HB       ILE  38  10.331   0.125  -3.451
  273   HG12  ILE  38          HG12      ILE  38   8.821  -2.252  -4.569
  274   HG13  ILE  38          HG11      ILE  38   9.000  -1.881  -2.858
  275   HG21  ILE  38          HG21      ILE  38  10.129  -0.918  -6.267
  276   HG22  ILE  38          HG22      ILE  38  11.132   0.430  -5.732
  277   HG23  ILE  38          HG23      ILE  38   9.373   0.554  -5.657
  278   HD11  ILE  38          HD11      ILE  38   7.593  -0.179  -4.904
  279   HD12  ILE  38          HD12      ILE  38   7.786   0.213  -3.195
  280   HD13  ILE  38          HD13      ILE  38   6.829  -1.187  -3.674
  281    H    GLY  39           HN       GLY  39  12.365  -3.665  -2.809
  282    HA2  GLY  39           HA2      GLY  39  13.388  -4.109  -0.815
  283    HA3  GLY  39           HA1      GLY  39  13.561  -2.379  -0.586
  284    H    TYR  40           HN       TYR  40  10.462  -4.051  -0.947
  285    HA   TYR  40           HA       TYR  40   9.980  -3.495   1.899
  286    HB2  TYR  40           HB2      TYR  40   8.089  -3.506  -0.435
  287    HB3  TYR  40           HB1      TYR  40   7.507  -3.675   1.220
  288    HD1  TYR  40           HD2      TYR  40   8.126  -1.864   2.892
  289    HD2  TYR  40           HD1      TYR  40   8.571  -1.371  -1.307
  290    HE1  TYR  40           HE2      TYR  40   8.217   0.570   3.202
  291    HE2  TYR  40           HE1      TYR  40   8.670   1.067  -1.017
  292    HH   TYR  40           HH       TYR  40   9.089   2.542   2.025
  293    H    ASP  41           HN       ASP  41  10.203  -5.176   3.096
  294    HA   ASP  41           HA       ASP  41  10.069  -7.845   2.050
  295    HB2  ASP  41           HB2      ASP  41  11.567  -6.753   3.985
  296    HB3  ASP  41           HB1      ASP  41  10.245  -7.353   4.983
  297    H    SER  42           HN       SER  42   8.849  -9.539   3.464
  298    HA   SER  42           HA       SER  42   6.154  -9.218   2.938
  299    HB2  SER  42           HB2      SER  42   6.197 -11.117   4.957
  300    HB3  SER  42           HB1      SER  42   6.411 -11.425   3.233
  301    H    LEU  43           HN       LEU  43   7.717  -9.017   6.147
  302    HA   LEU  43           HA       LEU  43   5.361  -8.427   7.559
  303    HB2  LEU  43           HB2      LEU  43   7.505  -9.177   8.572
  304    HB3  LEU  43           HB1      LEU  43   8.175  -7.590   8.248
  305    HG   LEU  43           HG       LEU  43   6.450  -6.599   9.742
  306   HD11  LEU  43          HD11      LEU  43   5.241  -8.128  11.258
  307   HD12  LEU  43          HD12      LEU  43   5.813  -9.493  10.300
  308   HD13  LEU  43          HD13      LEU  43   4.739  -8.295   9.576
  309   HD21  LEU  43          HD21      LEU  43   8.696  -7.101  10.563
  310   HD22  LEU  43          HD22      LEU  43   8.178  -8.732  10.988
  311   HD23  LEU  43          HD23      LEU  43   7.484  -7.342  11.822
  312    H    ALA  44           HN       ALA  44   7.819  -6.289   6.156
  313    HA   ALA  44           HA       ALA  44   6.757  -3.865   7.095
  314    HB1  ALA  44           HB1      ALA  44   8.348  -4.345   4.574
  315    HB2  ALA  44           HB2      ALA  44   9.025  -4.086   6.182
  316    HB3  ALA  44           HB3      ALA  44   8.124  -2.795   5.387
  317    H    LEU  45           HN       LEU  45   6.049  -5.780   4.228
  318    HA   LEU  45           HA       LEU  45   4.450  -3.849   2.922
  319    HB2  LEU  45           HB2      LEU  45   5.444  -5.751   1.763
  320    HB3  LEU  45           HB1      LEU  45   4.459  -6.858   2.694
  321    HG   LEU  45           HG       LEU  45   2.440  -6.023   1.613
  322   HD11  LEU  45          HD11      LEU  45   3.112  -3.705   1.263
  323   HD12  LEU  45          HD12      LEU  45   2.586  -4.437  -0.255
  324   HD13  LEU  45          HD13      LEU  45   4.307  -4.216   0.070
  325   HD21  LEU  45          HD21      LEU  45   4.621  -6.719  -0.349
  326   HD22  LEU  45          HD22      LEU  45   2.886  -6.837  -0.649
  327   HD23  LEU  45          HD23      LEU  45   3.642  -7.861   0.572
  328    H    MET  46           HN       MET  46   3.637  -6.542   5.108
  329    HA   MET  46           HA       MET  46   0.823  -6.007   4.938
  330    HB2  MET  46           HB2      MET  46   0.539  -7.745   6.585
  331    HB3  MET  46           HB1      MET  46   1.697  -8.276   5.380
  332    HG2  MET  46           HG2      MET  46   2.719  -8.982   7.283
  333    HG3  MET  46           HG1      MET  46   3.445  -7.388   7.112
  334    HE1  MET  46           HE1      MET  46  -0.251  -8.133   8.265
  335    HE2  MET  46           HE2      MET  46  -0.030  -8.302  10.009
  336    HE3  MET  46           HE3      MET  46   0.671  -9.490   8.912
  337    H    GLU  47           HN       GLU  47   3.427  -5.002   7.050
  338    HA   GLU  47           HA       GLU  47   1.900  -3.808   9.085
  339    HB2  GLU  47           HB2      GLU  47   4.625  -3.289   7.947
  340    HB3  GLU  47           HB1      GLU  47   3.955  -2.191   9.148
  341    HG2  GLU  47           HG2      GLU  47   4.230  -5.157   9.576
  342    HG3  GLU  47           HG1      GLU  47   5.467  -3.984  10.031
  343    H    THR  48           HN       THR  48   2.982  -2.615   5.950
  344    HA   THR  48           HA       THR  48   1.989  -0.005   6.128
  345    HB   THR  48           HB       THR  48   2.178  -1.707   3.635
  346    HG1  THR  48           HG1      THR  48   4.197  -1.598   4.726
  347   HG21  THR  48          HG21      THR  48   2.460   0.457   2.503
  348   HG22  THR  48          HG22      THR  48   2.202   1.281   4.041
  349   HG23  THR  48          HG23      THR  48   0.899   0.340   3.316
  350    H    ALA  49           HN       ALA  49   0.483  -3.016   5.036
  351    HA   ALA  49           HA       ALA  49  -1.980  -2.031   4.195
  352    HB1  ALA  49           HB1      ALA  49  -2.839  -4.278   4.611
  353    HB2  ALA  49           HB2      ALA  49  -1.401  -4.659   5.555
  354    HB3  ALA  49           HB3      ALA  49  -1.259  -4.333   3.829
  355    H    ALA  50           HN       ALA  50  -0.876  -2.911   7.446
  356    HA   ALA  50           HA       ALA  50  -3.353  -2.607   8.761
  357    HB1  ALA  50           HB1      ALA  50  -1.476  -3.800   9.774
  358    HB2  ALA  50           HB2      ALA  50  -2.049  -2.503  10.823
  359    HB3  ALA  50           HB3      ALA  50  -0.570  -2.288   9.885
  360    H    ARG  51           HN       ARG  51  -0.729  -0.387   8.031
  361    HA   ARG  51           HA       ARG  51  -1.660   1.846   9.459
  362    HB2  ARG  51           HB2      ARG  51  -0.107   1.776   6.864
  363    HB3  ARG  51           HB1      ARG  51  -0.272   3.168   7.918
  364    HG2  ARG  51           HG2      ARG  51   1.087   0.573   8.613
  365    HG3  ARG  51           HG1      ARG  51   1.888   2.085   8.187
  366    HD2  ARG  51           HD2      ARG  51   0.061   1.713  10.556
  367    HD3  ARG  51           HD1      ARG  51   1.820   1.656  10.629
  368    HE   ARG  51           HE       ARG  51   1.055   4.087   9.446
  369   HH11  ARG  51          HH11      ARG  51   0.920   2.484  12.569
  370   HH12  ARG  51          HH12      ARG  51   0.925   3.976  13.464
  371   HH21  ARG  51          HH21      ARG  51   1.088   6.031  10.613
  372   HH22  ARG  51          HH22      ARG  51   1.033   5.985  12.356
  373    H    LEU  52           HN       LEU  52  -2.454   0.593   6.277
  374    HA   LEU  52           HA       LEU  52  -3.999   2.841   5.443
  375    HB2  LEU  52           HB2      LEU  52  -4.059  -0.015   4.460
  376    HB3  LEU  52           HB1      LEU  52  -4.790   1.354   3.651
  377    HG   LEU  52           HG       LEU  52  -1.825   1.040   4.132
  378   HD11  LEU  52          HD11      LEU  52  -2.597  -0.617   2.549
  379   HD12  LEU  52          HD12      LEU  52  -1.709   0.654   1.704
  380   HD13  LEU  52          HD13      LEU  52  -3.473   0.617   1.643
  381   HD21  LEU  52          HD21      LEU  52  -1.668   2.918   2.535
  382   HD22  LEU  52          HD22      LEU  52  -2.488   3.358   4.032
  383   HD23  LEU  52          HD23      LEU  52  -3.425   3.060   2.567
  384    H    GLU  53           HN       GLU  53  -4.879  -0.411   6.637
  385    HA   GLU  53           HA       GLU  53  -7.648  -0.038   6.634
  386    HB2  GLU  53           HB2      GLU  53  -6.038  -1.725   8.559
  387    HB3  GLU  53           HB1      GLU  53  -7.755  -1.888   8.229
  388    HG2  GLU  53           HG2      GLU  53  -7.179  -2.419   5.865
  389    HG3  GLU  53           HG1      GLU  53  -5.483  -2.421   6.338
  390    H    SER  54           HN       SER  54  -5.245   0.647   9.134
  391    HA   SER  54           HA       SER  54  -7.068   1.407  11.147
  392    HB2  SER  54           HB2      SER  54  -4.725   0.787  11.594
  393    HB3  SER  54           HB1      SER  54  -4.185   2.261  10.791
  394    HG   SER  54           HG       SER  54  -5.819   3.190  12.489
  395    H    ARG  55           HN       ARG  55  -6.010   3.076   8.338
  396    HA   ARG  55           HA       ARG  55  -6.591   5.705   9.449
  397    HB2  ARG  55           HB2      ARG  55  -4.622   5.411   8.002
  398    HB3  ARG  55           HB1      ARG  55  -5.669   4.915   6.683
  399    HG2  ARG  55           HG2      ARG  55  -6.651   7.108   6.561
  400    HG3  ARG  55           HG1      ARG  55  -5.784   7.621   8.008
  401    HD2  ARG  55           HD2      ARG  55  -4.570   6.875   5.343
  402    HD3  ARG  55           HD1      ARG  55  -4.663   8.492   6.049
  403    HE   ARG  55           HE       ARG  55  -3.333   6.722   7.803
  404   HH11  ARG  55          HH11      ARG  55  -2.821   8.562   4.856
  405   HH12  ARG  55          HH12      ARG  55  -1.097   8.602   5.054
  406   HH21  ARG  55          HH21      ARG  55  -1.074   6.804   8.054
  407   HH22  ARG  55          HH22      ARG  55  -0.095   7.615   6.874
  408    H    TYR  56           HN       TYR  56  -7.800   3.564   6.878
  409    HA   TYR  56           HA       TYR  56  -9.939   5.475   6.333
  410    HB2  TYR  56           HB2      TYR  56  -9.195   2.938   4.865
  411    HB3  TYR  56           HB1      TYR  56 -10.359   4.145   4.326
  412    HD1  TYR  56           HD2      TYR  56  -9.526   6.476   3.818
  413    HD2  TYR  56           HD1      TYR  56  -6.897   3.181   4.384
  414    HE1  TYR  56           HE2      TYR  56  -7.731   7.720   2.691
  415    HE2  TYR  56           HE1      TYR  56  -5.096   4.419   3.260
  416    HH   TYR  56           HH       TYR  56  -5.339   7.763   2.540
  417    H    GLY  57           HN       GLY  57  -9.425   2.516   7.979
  418    HA2  GLY  57           HA2      GLY  57 -10.930   1.349   9.316
  419    HA3  GLY  57           HA1      GLY  57 -12.226   2.358   8.690
  420    H    VAL  58           HN       VAL  58  -9.953   0.545   6.725
  421    HA   VAL  58           HA       VAL  58 -12.235  -0.872   5.545
  422    HB   VAL  58           HB       VAL  58 -10.767  -1.278   3.600
  423   HG11  VAL  58          HG11      VAL  58 -12.184   0.659   3.536
  424   HG12  VAL  58          HG12      VAL  58 -10.622   1.079   2.830
  425   HG13  VAL  58          HG13      VAL  58 -11.017   1.595   4.470
  426   HG21  VAL  58          HG21      VAL  58  -8.615  -1.299   4.742
  427   HG22  VAL  58          HG22      VAL  58  -8.776   0.421   5.099
  428   HG23  VAL  58          HG23      VAL  58  -8.613  -0.121   3.428
  429    H    SER  59           HN       SER  59 -11.208  -2.972   4.359
  430    HA   SER  59           HA       SER  59  -9.443  -4.443   6.132
  431    HB2  SER  59           HB2      SER  59 -11.113  -6.397   6.061
  432    HB3  SER  59           HB1      SER  59 -11.490  -5.061   7.147
  433    HG   SER  59           HG       SER  59 -12.608  -5.600   4.590
  434    H    ILE  60           HN       ILE  60  -8.034  -5.550   4.930
  435    HA   ILE  60           HA       ILE  60  -8.575  -5.776   2.064
  436    HB   ILE  60           HB       ILE  60  -5.995  -6.288   3.549
  437   HG12  ILE  60          HG12      ILE  60  -6.925  -3.835   2.035
  438   HG13  ILE  60          HG11      ILE  60  -6.746  -3.957   3.780
  439   HG21  ILE  60          HG21      ILE  60  -6.111  -7.426   1.392
  440   HG22  ILE  60          HG22      ILE  60  -4.950  -6.099   1.344
  441   HG23  ILE  60          HG23      ILE  60  -6.540  -5.905   0.605
  442   HD11  ILE  60          HD11      ILE  60  -4.516  -4.176   1.775
  443   HD12  ILE  60          HD12      ILE  60  -4.346  -4.261   3.529
  444   HD13  ILE  60          HD13      ILE  60  -4.889  -2.767   2.766
  445    HA   PRO  61           HA       PRO  61  -9.820 -10.032   2.597
  446    HB2  PRO  61           HB2      PRO  61  -9.259 -10.108  -0.316
  447    HB3  PRO  61           HB1      PRO  61 -10.724 -10.556   0.561
  448    HG2  PRO  61           HG2      PRO  61 -10.638  -8.302  -0.841
  449    HG3  PRO  61           HG1      PRO  61 -11.454  -8.357   0.733
  450    HD2  PRO  61           HD2      PRO  61  -8.756  -7.253   0.032
  451    HD3  PRO  61           HD1      PRO  61  -9.992  -6.601   1.130
  452    H    ASP  62           HN       ASP  62  -8.797 -11.912   2.919
  453    HA   ASP  62           HA       ASP  62  -6.028 -12.098   3.076
  454    HB2  ASP  62           HB2      ASP  62  -7.952 -14.413   2.769
  455    HB3  ASP  62           HB1      ASP  62  -6.355 -14.467   3.506
  456    H    ASP  63           HN       ASP  63  -8.214 -13.093   0.525
  457    HA   ASP  63           HA       ASP  63  -6.239 -14.692  -0.805
  458    HB2  ASP  63           HB2      ASP  63  -8.022 -15.088  -2.463
  459    HB3  ASP  63           HB1      ASP  63  -8.567 -15.383  -0.818
  460    H    VAL  64           HN       VAL  64  -7.871 -11.608  -1.488
  461    HA   VAL  64           HA       VAL  64  -6.607 -11.306  -4.032
  462    HB   VAL  64           HB       VAL  64  -7.951  -9.163  -2.382
  463   HG11  VAL  64          HG11      VAL  64  -6.615  -8.315  -4.246
  464   HG12  VAL  64          HG12      VAL  64  -8.339  -8.068  -4.521
  465   HG13  VAL  64          HG13      VAL  64  -7.492  -9.371  -5.353
  466   HG21  VAL  64          HG21      VAL  64  -9.452 -11.058  -2.670
  467   HG22  VAL  64          HG22      VAL  64  -9.156 -11.045  -4.409
  468   HG23  VAL  64          HG23      VAL  64  -9.980  -9.687  -3.645
  469    H    ALA  65           HN       ALA  65  -5.794 -10.427  -0.783
  470    HA   ALA  65           HA       ALA  65  -4.134  -8.227  -1.217
  471    HB1  ALA  65           HB1      ALA  65  -4.933  -8.876   0.993
  472    HB2  ALA  65           HB2      ALA  65  -3.179  -8.704   0.971
  473    HB3  ALA  65           HB3      ALA  65  -3.907 -10.309   0.946
  474    H    GLY  66           HN       GLY  66  -3.362 -11.658  -1.279
  475    HA2  GLY  66           HA2      GLY  66  -0.534 -11.056  -1.671
  476    HA3  GLY  66           HA1      GLY  66  -1.222 -12.641  -1.378
  477    H    ARG  67           HN       ARG  67  -2.948 -10.955  -3.728
  478    HA   ARG  67           HA       ARG  67  -1.614 -12.527  -5.822
  479    HB2  ARG  67           HB2      ARG  67  -4.449 -11.545  -5.547
  480    HB3  ARG  67           HB1      ARG  67  -3.809 -12.143  -7.069
  481    HG2  ARG  67           HG2      ARG  67  -3.380 -14.305  -6.102
  482    HG3  ARG  67           HG1      ARG  67  -3.861 -13.724  -4.509
  483    HD2  ARG  67           HD2      ARG  67  -5.621 -15.047  -5.631
  484    HD3  ARG  67           HD1      ARG  67  -6.127 -13.399  -5.255
  485    HE   ARG  67           HE       ARG  67  -5.077 -13.558  -7.890
  486   HH11  ARG  67          HH11      ARG  67  -7.894 -14.500  -6.024
  487   HH12  ARG  67          HH12      ARG  67  -8.995 -14.306  -7.362
  488   HH21  ARG  67          HH21      ARG  67  -6.495 -13.334  -9.635
  489   HH22  ARG  67          HH22      ARG  67  -8.195 -13.642  -9.425
  490    H    VAL  68           HN       VAL  68  -1.564  -9.481  -4.696
  491    HA   VAL  68           HA       VAL  68  -1.616  -8.166  -7.304
  492    HB   VAL  68           HB       VAL  68  -1.375  -6.062  -6.108
  493   HG11  VAL  68          HG11      VAL  68  -3.476  -6.079  -4.846
  494   HG12  VAL  68          HG12      VAL  68  -3.465  -7.844  -4.874
  495   HG13  VAL  68          HG13      VAL  68  -3.616  -6.939  -6.381
  496   HG21  VAL  68          HG21      VAL  68  -1.253  -7.724  -3.591
  497   HG22  VAL  68          HG22      VAL  68  -1.309  -5.962  -3.669
  498   HG23  VAL  68          HG23      VAL  68   0.090  -6.830  -4.303
  499    H    ASP  69           HN       ASP  69   0.215  -6.422  -7.543
  500    HA   ASP  69           HA       ASP  69   2.783  -7.419  -6.552
  501    HB2  ASP  69           HB2      ASP  69   1.927  -7.363  -9.400
  502    HB3  ASP  69           HB1      ASP  69   3.578  -6.863  -9.047
  503    H    THR  70           HN       THR  70   1.036  -4.902  -8.284
  504    HA   THR  70           HA       THR  70   3.226  -3.033  -7.680
  505    HB   THR  70           HB       THR  70   2.172  -1.566  -9.392
  506    HG1  THR  70           HG1      THR  70   0.413  -3.797  -9.621
  507   HG21  THR  70          HG21      THR  70   2.854  -2.894 -11.337
  508   HG22  THR  70          HG22      THR  70   2.839  -4.352 -10.347
  509   HG23  THR  70          HG23      THR  70   4.005  -3.071 -10.012
  510    HA   PRO  71           HA       PRO  71   0.940  -0.840  -4.573
  511    HB2  PRO  71           HB2      PRO  71   2.049   1.540  -5.973
  512    HB3  PRO  71           HB1      PRO  71   2.091   1.129  -4.255
  513    HG2  PRO  71           HG2      PRO  71   4.258   0.832  -5.765
  514    HG3  PRO  71           HG1      PRO  71   3.845  -0.368  -4.526
  515    HD2  PRO  71           HD2      PRO  71   3.550  -0.524  -7.489
  516    HD3  PRO  71           HD1      PRO  71   3.956  -1.800  -6.324
  517    H    ARG  72           HN       ARG  72   0.747   0.116  -7.959
  518    HA   ARG  72           HA       ARG  72  -1.427   1.863  -7.837
  519    HB2  ARG  72           HB2      ARG  72   0.096   1.188  -9.843
  520    HB3  ARG  72           HB1      ARG  72  -1.092  -0.076 -10.115
  521    HG2  ARG  72           HG2      ARG  72  -1.823   2.838  -9.941
  522    HG3  ARG  72           HG1      ARG  72  -1.391   2.040 -11.454
  523    HD2  ARG  72           HD2      ARG  72  -3.279   0.661 -11.401
  524    HD3  ARG  72           HD1      ARG  72  -3.539   0.933  -9.677
  525    HE   ARG  72           HE       ARG  72  -3.830   3.397 -10.886
  526   HH11  ARG  72          HH11      ARG  72  -5.372   0.273 -11.274
  527   HH12  ARG  72          HH12      ARG  72  -6.947   0.948 -11.525
  528   HH21  ARG  72          HH21      ARG  72  -5.897   4.276 -11.244
  529   HH22  ARG  72          HH22      ARG  72  -7.249   3.212 -11.534
  530    H    GLU  73           HN       GLU  73  -1.358  -1.667  -8.169
  531    HA   GLU  73           HA       GLU  73  -4.143  -2.043  -8.430
  532    HB2  GLU  73           HB2      GLU  73  -2.075  -3.952  -7.324
  533    HB3  GLU  73           HB1      GLU  73  -3.668  -4.389  -7.921
  534    HG2  GLU  73           HG2      GLU  73  -3.085  -3.840 -10.147
  535    HG3  GLU  73           HG1      GLU  73  -1.586  -3.068  -9.631
  536    H    LEU  74           HN       LEU  74  -1.992  -2.052  -5.628
  537    HA   LEU  74           HA       LEU  74  -3.866  -2.853  -3.689
  538    HB2  LEU  74           HB2      LEU  74  -1.234  -2.448  -3.626
  539    HB3  LEU  74           HB1      LEU  74  -1.717  -0.882  -3.012
  540    HG   LEU  74           HG       LEU  74  -1.143  -2.465  -1.213
  541   HD11  LEU  74          HD11      LEU  74  -2.733  -0.689  -0.752
  542   HD12  LEU  74          HD12      LEU  74  -3.122  -2.144   0.165
  543   HD13  LEU  74          HD13      LEU  74  -4.061  -1.726  -1.270
  544   HD21  LEU  74          HD21      LEU  74  -1.794  -4.534  -2.280
  545   HD22  LEU  74          HD22      LEU  74  -3.489  -4.041  -2.260
  546   HD23  LEU  74          HD23      LEU  74  -2.641  -4.352  -0.744
  547    H    LEU  75           HN       LEU  75  -2.833   0.361  -4.752
  548    HA   LEU  75           HA       LEU  75  -4.502   1.911  -3.139
  549    HB2  LEU  75           HB2      LEU  75  -2.586   2.747  -4.446
  550    HB3  LEU  75           HB1      LEU  75  -3.477   2.469  -5.928
  551    HG   LEU  75           HG       LEU  75  -4.611   4.331  -3.876
  552   HD11  LEU  75          HD11      LEU  75  -2.466   5.032  -5.884
  553   HD12  LEU  75          HD12      LEU  75  -2.273   5.021  -4.131
  554   HD13  LEU  75          HD13      LEU  75  -3.362   6.182  -4.893
  555   HD21  LEU  75          HD21      LEU  75  -4.649   4.268  -6.896
  556   HD22  LEU  75          HD22      LEU  75  -5.485   5.441  -5.881
  557   HD23  LEU  75          HD23      LEU  75  -5.957   3.743  -5.834
  558    H    ASP  76           HN       ASP  76  -5.017   0.632  -6.404
  559    HA   ASP  76           HA       ASP  76  -7.552   1.793  -6.829
  560    HB2  ASP  76           HB2      ASP  76  -6.171   1.000  -8.676
  561    HB3  ASP  76           HB1      ASP  76  -6.289  -0.653  -8.088
  562    H    LEU  77           HN       LEU  77  -6.574  -1.314  -5.474
  563    HA   LEU  77           HA       LEU  77  -9.078  -2.570  -5.456
  564    HB2  LEU  77           HB2      LEU  77  -6.979  -3.757  -5.054
  565    HB3  LEU  77           HB1      LEU  77  -6.752  -2.883  -3.552
  566    HG   LEU  77           HG       LEU  77  -8.810  -3.971  -2.663
  567   HD11  LEU  77          HD11      LEU  77  -9.675  -5.948  -3.832
  568   HD12  LEU  77          HD12      LEU  77  -8.638  -5.577  -5.208
  569   HD13  LEU  77          HD13      LEU  77  -9.932  -4.468  -4.753
  570   HD21  LEU  77          HD21      LEU  77  -6.634  -5.833  -3.603
  571   HD22  LEU  77          HD22      LEU  77  -7.775  -6.147  -2.295
  572   HD23  LEU  77          HD23      LEU  77  -6.598  -4.842  -2.144
  573    H    ILE  78           HN       ILE  78  -7.465  -0.721  -2.868
  574    HA   ILE  78           HA       ILE  78  -9.636  -0.982  -1.051
  575    HB   ILE  78           HB       ILE  78  -7.394   1.052  -1.050
  576   HG12  ILE  78          HG12      ILE  78  -7.685  -1.633   0.319
  577   HG13  ILE  78          HG11      ILE  78  -6.568  -1.243  -0.984
  578   HG21  ILE  78          HG21      ILE  78  -7.892   1.344   1.314
  579   HG22  ILE  78          HG22      ILE  78  -9.226   0.197   1.195
  580   HG23  ILE  78          HG23      ILE  78  -9.309   1.736   0.338
  581   HD11  ILE  78          HD11      ILE  78  -5.426  -1.315   1.143
  582   HD12  ILE  78          HD12      ILE  78  -6.521  -0.097   1.794
  583   HD13  ILE  78          HD13      ILE  78  -5.409   0.323   0.490
  584    H    ASN  79           HN       ASN  79  -8.725   1.431  -3.442
  585    HA   ASN  79           HA       ASN  79 -10.631   3.394  -2.724
  586    HB2  ASN  79           HB2      ASN  79  -8.949   2.861  -5.116
  587    HB3  ASN  79           HB1      ASN  79 -10.372   3.859  -5.365
  588   HD21  ASN  79          HD21      ASN  79  -7.299   3.609  -3.781
  589   HD22  ASN  79          HD22      ASN  79  -7.162   5.287  -3.374
  590    H    GLY  80           HN       GLY  80 -10.768   0.619  -4.904
  591    HA2  GLY  80           HA2      GLY  80 -13.250   1.183  -6.100
  592    HA3  GLY  80           HA1      GLY  80 -12.525  -0.411  -5.952
  593    H    ALA  81           HN       ALA  81 -12.461  -0.541  -3.123
  594    HA   ALA  81           HA       ALA  81 -15.105  -1.482  -2.663
  595    HB1  ALA  81           HB1      ALA  81 -13.141  -2.575  -1.699
  596    HB2  ALA  81           HB2      ALA  81 -14.293  -2.100  -0.449
  597    HB3  ALA  81           HB3      ALA  81 -12.833  -1.147  -0.710
  598    H    LEU  82           HN       LEU  82 -13.440   1.478  -1.962
  599    HA   LEU  82           HA       LEU  82 -15.444   2.384  -0.074
  600    HB2  LEU  82           HB2      LEU  82 -13.053   3.757  -1.301
  601    HB3  LEU  82           HB1      LEU  82 -14.118   4.508  -0.130
  602    HG   LEU  82           HG       LEU  82 -12.485   2.024   0.389
  603   HD11  LEU  82          HD11      LEU  82 -12.022   4.888   1.219
  604   HD12  LEU  82          HD12      LEU  82 -11.048   3.963   0.075
  605   HD13  LEU  82          HD13      LEU  82 -11.094   3.497   1.776
  606   HD21  LEU  82          HD21      LEU  82 -14.521   2.143   1.724
  607   HD22  LEU  82          HD22      LEU  82 -14.113   3.786   2.221
  608   HD23  LEU  82          HD23      LEU  82 -13.100   2.435   2.729
  609    H    ALA  83           HN       ALA  83 -14.715   2.676  -3.456
  610    HA   ALA  83           HA       ALA  83 -16.122   5.054  -4.014
  611    HB1  ALA  83           HB1      ALA  83 -14.472   4.076  -5.539
  612    HB2  ALA  83           HB2      ALA  83 -16.014   4.361  -6.347
  613    HB3  ALA  83           HB3      ALA  83 -15.566   2.730  -5.850
  614    H    GLU  84           HN       GLU  84 -17.138   1.658  -4.038
  615    HA   GLU  84           HA       GLU  84 -19.816   2.429  -4.892
  616    HB2  GLU  84           HB2      GLU  84 -18.628  -0.299  -4.343
  617    HB3  GLU  84           HB1      GLU  84 -20.247  -0.007  -4.960
  618    HG2  GLU  84           HG2      GLU  84 -17.683   0.739  -6.347
  619    HG3  GLU  84           HG1      GLU  84 -18.699  -0.650  -6.729
  620    H    ALA  85           HN       ALA  85 -18.479   2.832  -2.109
  621    HA   ALA  85           HA       ALA  85 -20.158   1.226  -0.388
  622    HB1  ALA  85           HB1      ALA  85 -18.254   3.442   0.343
  623    HB2  ALA  85           HB2      ALA  85 -17.846   1.728   0.255
  624    HB3  ALA  85           HB3      ALA  85 -19.007   2.299   1.455
  625    H    ALA  86           HN       ALA  86 -19.655   4.777  -0.559
  626    HA   ALA  86           HA       ALA  86 -22.533   5.101  -0.087
  627    HB1  ALA  86           HB1      ALA  86 -20.393   6.541   1.481
  628    HB2  ALA  86           HB2      ALA  86 -21.447   5.266   2.094
  629    HB3  ALA  86           HB3      ALA  86 -22.129   6.816   1.599
  630    H28  SXO  87          H28B      SXO  87   5.896 -11.385   6.190
  631   H28A  SXO  87          H28A      SXO  87   6.628 -11.119   7.773
  632    H30  SXO  87          H30A      SXO  87   4.494 -11.463   8.816
  633   H30A  SXO  87          H30C      SXO  87   3.735 -11.765   7.252
  634   H30B  SXO  87          H30B      SXO  87   3.567 -12.940   8.558
  635    H31  SXO  87          H31A      SXO  87   4.464 -14.713   6.992
  636   H31A  SXO  87          H31B      SXO  87   6.031 -14.465   6.220
  637   H31B  SXO  87          H31C      SXO  87   4.644 -13.496   5.729
  638    H32  SXO  87          H32A      SXO  87   6.240 -12.940   9.655
  639   HO33  SXO  87          H33A      SXO  87   7.757 -13.587   7.617
  640   HN36  SXO  87          H36A      SXO  87   3.926 -13.776   9.928
  641    H37  SXO  87          H37A      SXO  87   3.715 -16.709   9.860
  642   H37A  SXO  87          H37B      SXO  87   3.453 -15.831  11.361
  643    H38  SXO  87          H38B      SXO  87   1.660 -14.521  10.142
  644   H38A  SXO  87          H38A      SXO  87   1.310 -16.220  10.475
  645   HN41  SXO  87          H41A      SXO  87   0.071 -14.591   8.575
  646    H42  SXO  87          H42A      SXO  87   0.832 -15.816   6.005
  647   H42A  SXO  87          H42B      SXO  87  -0.836 -15.757   6.573
  648    H43  SXO  87          H43B      SXO  87  -0.553 -13.981   5.009
  649   H43A  SXO  87          H43A      SXO  87  -0.624 -13.248   6.618
  650    H2   SXO  87           H2A      SXO  87   2.395 -11.541   3.782
  651    H2A  SXO  87           H2B      SXO  87   2.337 -10.053   4.726
  652    H3   SXO  87           H3B      SXO  87   0.228 -10.971   2.777
  653    H3A  SXO  87           H3A      SXO  87   0.205  -9.469   3.704
  654    H4   SXO  87           H4A      SXO  87   2.245 -10.252   1.622
  655    H4A  SXO  87           H4B      SXO  87   2.278  -8.770   2.578
  656    H5   SXO  87           H5B      SXO  87   1.344  -8.431   0.315
  657    H5A  SXO  87           H5A      SXO  87   0.046  -9.563   0.710
  658    H6   SXO  87           H6A      SXO  87   0.635  -6.998   2.192
  659    H6A  SXO  87           H6B      SXO  87  -0.703  -8.107   2.504
  660    H7   SXO  87           H7A      SXO  87  -1.605  -7.659   0.273
  661    H7A  SXO  87           H7B      SXO  87  -0.257  -6.552  -0.046
  662    H8   SXO  87           H8C      SXO  87  -2.314  -6.261   2.137
  663    H8A  SXO  87           H8A      SXO  87  -2.270  -5.340   0.634
  664    H8B  SXO  87           H8B      SXO  87  -0.980  -5.153   1.824
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -18.242  13.237  -0.485
    2    H2   MET   1           HT2      MET   1 -18.015  11.554  -0.547
    3    H3   MET   1           HT3      MET   1 -16.673  12.594  -0.527
    4    HA   MET   1           HA       MET   1 -17.190  13.325   1.678
    5    HB2  MET   1           HB2      MET   1 -19.610  13.118   1.567
    6    HB3  MET   1           HB1      MET   1 -19.483  11.368   1.446
    7    HG2  MET   1           HG2      MET   1 -18.600  11.241   3.690
    8    HG3  MET   1           HG1      MET   1 -18.598  13.003   3.814
    9    HE1  MET   1           HE1      MET   1 -20.810  14.480   3.830
   10    HE2  MET   1           HE2      MET   1 -22.438  13.806   3.713
   11    HE3  MET   1           HE3      MET   1 -21.346  13.714   2.333
   12    H    ALA   2           HN       ALA   2 -17.438  10.067   0.329
   13    HA   ALA   2           HA       ALA   2 -16.010   8.796   2.442
   14    HB1  ALA   2           HB1      ALA   2 -17.490   7.565   0.899
   15    HB2  ALA   2           HB2      ALA   2 -15.863   6.887   0.952
   16    HB3  ALA   2           HB3      ALA   2 -16.358   7.885  -0.416
   17    H    THR   3           HN       THR   3 -13.946   8.997   2.884
   18    HA   THR   3           HA       THR   3 -12.145  10.382   1.164
   19    HB   THR   3           HB       THR   3 -10.498   9.489   3.040
   20    HG1  THR   3           HG1      THR   3 -11.561   8.900   4.906
   21   HG21  THR   3          HG21      THR   3 -11.099  11.425   4.408
   22   HG22  THR   3          HG22      THR   3 -12.661  11.529   3.597
   23   HG23  THR   3          HG23      THR   3 -11.177  11.835   2.693
   24    H    LEU   4           HN       LEU   4 -11.510   9.364  -0.644
   25    HA   LEU   4           HA       LEU   4 -10.962   6.549  -0.750
   26    HB2  LEU   4           HB2      LEU   4 -10.210   8.715  -2.724
   27    HB3  LEU   4           HB1      LEU   4 -10.224   6.991  -3.036
   28    HG   LEU   4           HG       LEU   4 -12.658   8.688  -2.460
   29   HD11  LEU   4          HD11      LEU   4 -11.664   7.450  -5.023
   30   HD12  LEU   4          HD12      LEU   4 -11.709   9.173  -4.641
   31   HD13  LEU   4          HD13      LEU   4 -13.213   8.265  -4.809
   32   HD21  LEU   4          HD21      LEU   4 -12.921   6.403  -1.658
   33   HD22  LEU   4          HD22      LEU   4 -12.421   5.783  -3.232
   34   HD23  LEU   4          HD23      LEU   4 -13.925   6.690  -3.079
   35    H    LEU   5           HN       LEU   5  -8.766   5.753  -1.471
   36    HA   LEU   5           HA       LEU   5  -6.818   6.781   0.391
   37    HB2  LEU   5           HB2      LEU   5  -7.292   4.316  -0.176
   38    HB3  LEU   5           HB1      LEU   5  -6.386   4.598  -1.647
   39    HG   LEU   5           HG       LEU   5  -5.186   5.087   1.074
   40   HD11  LEU   5          HD11      LEU   5  -5.129   2.548  -0.549
   41   HD12  LEU   5          HD12      LEU   5  -5.965   2.777   0.987
   42   HD13  LEU   5          HD13      LEU   5  -4.204   2.860   0.919
   43   HD21  LEU   5          HD21      LEU   5  -4.022   6.083  -0.825
   44   HD22  LEU   5          HD22      LEU   5  -3.982   4.516  -1.632
   45   HD23  LEU   5          HD23      LEU   5  -3.085   4.758  -0.131
   46    H    THR   6           HN       THR   6  -5.349   8.255  -0.062
   47    HA   THR   6           HA       THR   6  -5.007   9.092  -2.831
   48    HB   THR   6           HB       THR   6  -3.542  10.779  -1.136
   49    HG1  THR   6           HG1      THR   6  -4.485  10.474   0.758
   50   HG21  THR   6          HG21      THR   6  -6.324  11.062  -2.268
   51   HG22  THR   6          HG22      THR   6  -4.816  11.500  -3.071
   52   HG23  THR   6          HG23      THR   6  -5.343  12.387  -1.641
   53    H    THR   7           HN       THR   7  -3.021   9.311  -3.817
   54    HA   THR   7           HA       THR   7  -1.038   7.420  -3.329
   55    HB   THR   7           HB       THR   7   0.363   8.954  -4.854
   56    HG1  THR   7           HG1      THR   7  -0.460  10.892  -5.128
   57   HG21  THR   7          HG21      THR   7  -0.925   8.327  -6.824
   58   HG22  THR   7          HG22      THR   7  -2.347   8.035  -5.824
   59   HG23  THR   7          HG23      THR   7  -0.924   7.005  -5.655
   60    H    ASP   8           HN       ASP   8  -1.344  10.759  -2.321
   61    HA   ASP   8           HA       ASP   8   1.210  11.183  -1.264
   62    HB2  ASP   8           HB2      ASP   8  -1.425  12.320  -0.305
   63    HB3  ASP   8           HB1      ASP   8   0.169  12.999   0.013
   64    H    ASP   9           HN       ASP   9  -1.749   9.986   0.303
   65    HA   ASP   9           HA       ASP   9  -0.602   9.568   2.845
   66    HB2  ASP   9           HB2      ASP   9  -3.051   8.521   1.475
   67    HB3  ASP   9           HB1      ASP   9  -2.549   7.835   3.017
   68    H    LEU  10           HN       LEU  10  -1.086   7.411   0.076
   69    HA   LEU  10           HA       LEU  10  -0.096   5.079   1.252
   70    HB2  LEU  10           HB2      LEU  10  -1.312   5.205  -0.903
   71    HB3  LEU  10           HB1      LEU  10   0.110   5.918  -1.638
   72    HG   LEU  10           HG       LEU  10   1.370   3.858  -1.247
   73   HD11  LEU  10          HD11      LEU  10   0.247   1.853  -0.424
   74   HD12  LEU  10          HD12      LEU  10  -1.221   2.785  -0.131
   75   HD13  LEU  10          HD13      LEU  10   0.241   3.125   0.799
   76   HD21  LEU  10          HD21      LEU  10  -1.289   3.400  -2.598
   77   HD22  LEU  10          HD22      LEU  10   0.161   2.425  -2.829
   78   HD23  LEU  10          HD23      LEU  10   0.141   4.113  -3.342
   79    H    ARG  11           HN       ARG  11   1.567   7.647  -0.521
   80    HA   ARG  11           HA       ARG  11   4.149   6.640  -0.575
   81    HB2  ARG  11           HB2      ARG  11   3.368   8.766  -1.648
   82    HB3  ARG  11           HB1      ARG  11   3.391   9.522  -0.062
   83    HG2  ARG  11           HG2      ARG  11   5.822   8.969   0.076
   84    HG3  ARG  11           HG1      ARG  11   5.735   8.443  -1.605
   85    HD2  ARG  11           HD2      ARG  11   5.178  11.207  -0.533
   86    HD3  ARG  11           HD1      ARG  11   6.552  10.712  -1.524
   87    HE   ARG  11           HE       ARG  11   4.053  10.191  -2.811
   88   HH11  ARG  11          HH11      ARG  11   6.464  12.658  -2.189
   89   HH12  ARG  11          HH12      ARG  11   5.943  13.672  -3.502
   90   HH21  ARG  11          HH21      ARG  11   3.381  11.525  -4.561
   91   HH22  ARG  11          HH22      ARG  11   4.203  13.038  -4.850
   92    H    ARG  12           HN       ARG  12   2.439   8.332   2.019
   93    HA   ARG  12           HA       ARG  12   4.697   8.460   3.763
   94    HB2  ARG  12           HB2      ARG  12   1.748   8.791   4.295
   95    HB3  ARG  12           HB1      ARG  12   2.988   9.020   5.516
   96    HG2  ARG  12           HG2      ARG  12   3.981  10.779   4.026
   97    HG3  ARG  12           HG1      ARG  12   2.528  10.635   3.028
   98    HD2  ARG  12           HD2      ARG  12   2.280  12.460   4.607
   99    HD3  ARG  12           HD1      ARG  12   1.150  11.164   4.993
  100    HE   ARG  12           HE       ARG  12   3.721  11.343   6.421
  101   HH11  ARG  12          HH11      ARG  12   0.218  11.430   6.460
  102   HH12  ARG  12          HH12      ARG  12   0.098  11.383   8.189
  103   HH21  ARG  12          HH21      ARG  12   3.566  11.281   8.713
  104   HH22  ARG  12          HH22      ARG  12   2.005  11.292   9.467
  105    H    ALA  13           HN       ALA  13   1.983   6.259   3.368
  106    HA   ALA  13           HA       ALA  13   2.146   4.932   5.818
  107    HB1  ALA  13           HB1      ALA  13   1.217   3.842   3.165
  108    HB2  ALA  13           HB2      ALA  13   0.236   4.739   4.323
  109    HB3  ALA  13           HB3      ALA  13   0.866   3.149   4.748
  110    H    LEU  14           HN       LEU  14   3.821   4.291   2.771
  111    HA   LEU  14           HA       LEU  14   5.060   1.887   3.550
  112    HB2  LEU  14           HB2      LEU  14   5.685   3.985   1.503
  113    HB3  LEU  14           HB1      LEU  14   6.854   2.723   1.829
  114    HG   LEU  14           HG       LEU  14   5.509   2.179  -0.121
  115   HD11  LEU  14          HD11      LEU  14   4.691  -0.039   0.587
  116   HD12  LEU  14          HD12      LEU  14   4.950   0.437   2.266
  117   HD13  LEU  14          HD13      LEU  14   6.317   0.330   1.157
  118   HD21  LEU  14          HD21      LEU  14   3.140   2.243   1.738
  119   HD22  LEU  14          HD22      LEU  14   3.131   1.709   0.057
  120   HD23  LEU  14          HD23      LEU  14   3.478   3.393   0.444
  121    H    VAL  15           HN       VAL  15   6.161   5.259   3.765
  122    HA   VAL  15           HA       VAL  15   8.681   4.656   4.919
  123    HB   VAL  15           HB       VAL  15   7.131   7.247   5.106
  124   HG11  VAL  15          HG11      VAL  15  10.078   6.663   5.385
  125   HG12  VAL  15          HG12      VAL  15   8.979   7.136   6.681
  126   HG13  VAL  15          HG13      VAL  15   9.349   8.270   5.382
  127   HG21  VAL  15          HG21      VAL  15   7.366   6.609   2.784
  128   HG22  VAL  15          HG22      VAL  15   9.085   6.287   3.016
  129   HG23  VAL  15          HG23      VAL  15   8.473   7.935   3.143
  130    H    GLU  16           HN       GLU  16   5.552   5.625   6.283
  131    HA   GLU  16           HA       GLU  16   6.300   5.820   8.968
  132    HB2  GLU  16           HB2      GLU  16   3.665   4.990   7.743
  133    HB3  GLU  16           HB1      GLU  16   3.892   5.307   9.455
  134    HG2  GLU  16           HG2      GLU  16   4.483   7.603   8.991
  135    HG3  GLU  16           HG1      GLU  16   4.368   7.307   7.257
  136    H    SER  17           HN       SER  17   5.435   2.999   7.048
  137    HA   SER  17           HA       SER  17   5.421   1.236   9.324
  138    HB2  SER  17           HB2      SER  17   5.478   0.543   6.379
  139    HB3  SER  17           HB1      SER  17   5.010  -0.522   7.708
  140    HG   SER  17           HG       SER  17   3.643   1.674   6.603
  141    H    ALA  18           HN       ALA  18   7.691   2.145   6.795
  142    HA   ALA  18           HA       ALA  18   9.618   0.141   7.316
  143    HB1  ALA  18           HB1      ALA  18  11.160   1.536   6.064
  144    HB2  ALA  18           HB2      ALA  18  10.047   2.899   6.175
  145    HB3  ALA  18           HB3      ALA  18   9.596   1.466   5.250
  146    H    GLY  19           HN       GLY  19   9.264   3.483   8.465
  147    HA2  GLY  19           HA2      GLY  19   9.880   4.302  10.570
  148    HA3  GLY  19           HA1      GLY  19  10.722   2.791  10.886
  149    H    GLU  20           HN       GLU  20  11.537   3.926   7.865
  150    HA   GLU  20           HA       GLU  20  13.723   5.604   8.782
  151    HB2  GLU  20           HB2      GLU  20  14.519   3.236   8.903
  152    HB3  GLU  20           HB1      GLU  20  14.226   3.092   7.176
  153    HG2  GLU  20           HG2      GLU  20  16.583   3.497   7.712
  154    HG3  GLU  20           HG1      GLU  20  15.887   4.768   6.705
  155    H    THR  21           HN       THR  21  14.792   6.718   7.025
  156    HA   THR  21           HA       THR  21  12.983   7.046   4.722
  157    HB   THR  21           HB       THR  21  13.379   9.008   6.216
  158    HG1  THR  21           HG1      THR  21  14.014   9.032   3.462
  159   HG21  THR  21          HG21      THR  21  16.169   8.877   5.078
  160   HG22  THR  21          HG22      THR  21  15.716   8.622   6.765
  161   HG23  THR  21          HG23      THR  21  15.510  10.210   6.025
  162    H    ASP  22           HN       ASP  22  15.684   5.493   5.467
  163    HA   ASP  22           HA       ASP  22  17.317   6.215   3.184
  164    HB2  ASP  22           HB2      ASP  22  18.540   5.741   5.167
  165    HB3  ASP  22           HB1      ASP  22  17.662   4.241   5.439
  166    H    GLY  23           HN       GLY  23  16.776   5.470   1.246
  167    HA2  GLY  23           HA2      GLY  23  16.762   3.620  -0.272
  168    HA3  GLY  23           HA1      GLY  23  16.128   2.612   1.018
  169    H    THR  24           HN       THR  24  14.263   4.978   1.634
  170    HA   THR  24           HA       THR  24  12.075   3.935   0.093
  171    HB   THR  24           HB       THR  24  10.728   5.602   1.409
  172    HG1  THR  24           HG1      THR  24  12.344   7.135   1.816
  173   HG21  THR  24          HG21      THR  24  12.513   3.749   2.992
  174   HG22  THR  24          HG22      THR  24  11.016   3.300   2.175
  175   HG23  THR  24          HG23      THR  24  10.974   4.412   3.544
  176    H    ASP  25           HN       ASP  25  13.155   4.705  -1.976
  177    HA   ASP  25           HA       ASP  25  12.768   7.533  -2.542
  178    HB2  ASP  25           HB2      ASP  25  14.699   6.151  -3.475
  179    HB3  ASP  25           HB1      ASP  25  13.519   5.397  -4.541
  180    H    LEU  26           HN       LEU  26  10.583   7.764  -2.303
  181    HA   LEU  26           HA       LEU  26   8.926   6.483  -4.374
  182    HB2  LEU  26           HB2      LEU  26   8.237   7.590  -1.655
  183    HB3  LEU  26           HB1      LEU  26   7.012   7.364  -2.885
  184    HG   LEU  26           HG       LEU  26   7.652   4.925  -2.955
  185   HD11  LEU  26          HD11      LEU  26   9.150   5.628  -0.441
  186   HD12  LEU  26          HD12      LEU  26   9.869   5.095  -1.961
  187   HD13  LEU  26          HD13      LEU  26   8.832   4.002  -1.043
  188   HD21  LEU  26          HD21      LEU  26   5.680   5.755  -1.764
  189   HD22  LEU  26          HD22      LEU  26   6.662   5.972  -0.314
  190   HD23  LEU  26          HD23      LEU  26   6.403   4.356  -0.970
  191    H    SER  27           HN       SER  27  10.535   8.452  -5.209
  192    HA   SER  27           HA       SER  27   9.533  11.083  -4.839
  193    HB2  SER  27           HB2      SER  27  11.392  10.074  -6.999
  194    HB3  SER  27           HB1      SER  27  11.238  11.734  -6.419
  195    HG   SER  27           HG       SER  27  12.520   9.540  -5.276
  196    H    GLY  28           HN       GLY  28   7.369  11.134  -5.456
  197    HA2  GLY  28           HA2      GLY  28   5.789  11.840  -7.000
  198    HA3  GLY  28           HA1      GLY  28   6.958  11.567  -8.283
  199    H    ASP  29           HN       ASP  29   7.442   9.225  -8.730
  200    HA   ASP  29           HA       ASP  29   4.894   7.761  -8.765
  201    HB2  ASP  29           HB2      ASP  29   5.762   6.571 -10.711
  202    HB3  ASP  29           HB1      ASP  29   5.865   8.308 -10.975
  203    H    PHE  30           HN       PHE  30   4.976   5.437  -8.518
  204    HA   PHE  30           HA       PHE  30   7.157   3.970  -7.618
  205    HB2  PHE  30           HB2      PHE  30   6.780   3.808  -5.210
  206    HB3  PHE  30           HB1      PHE  30   7.152   5.463  -5.665
  207    HD1  PHE  30           HD2      PHE  30   5.307   7.155  -5.743
  208    HD2  PHE  30           HD1      PHE  30   4.751   3.249  -4.133
  209    HE1  PHE  30           HE2      PHE  30   3.273   7.918  -4.588
  210    HE2  PHE  30           HE1      PHE  30   2.718   4.010  -2.984
  211    HZ   PHE  30           HZ       PHE  30   2.003   6.355  -3.154
  212    H    LEU  31           HN       LEU  31   3.763   4.526  -7.751
  213    HA   LEU  31           HA       LEU  31   2.661   2.137  -6.900
  214    HB2  LEU  31           HB2      LEU  31   1.790   3.800  -9.262
  215    HB3  LEU  31           HB1      LEU  31   0.807   2.614  -8.430
  216    HG   LEU  31           HG       LEU  31   1.841   5.176  -7.208
  217   HD11  LEU  31          HD11      LEU  31   0.135   5.578  -8.906
  218   HD12  LEU  31          HD12      LEU  31  -0.487   5.898  -7.287
  219   HD13  LEU  31          HD13      LEU  31  -0.925   4.407  -8.123
  220   HD21  LEU  31          HD21      LEU  31   0.391   4.635  -5.343
  221   HD22  LEU  31          HD22      LEU  31   1.569   3.343  -5.593
  222   HD23  LEU  31          HD23      LEU  31  -0.098   3.136  -6.134
  223    H    ASP  32           HN       ASP  32   4.619   2.711  -9.644
  224    HA   ASP  32           HA       ASP  32   3.497   0.558 -11.231
  225    HB2  ASP  32           HB2      ASP  32   5.894   2.262 -11.895
  226    HB3  ASP  32           HB1      ASP  32   4.826   1.412 -13.007
  227    H    LEU  33           HN       LEU  33   6.026   1.020  -8.990
  228    HA   LEU  33           HA       LEU  33   7.685  -1.115 -10.085
  229    HB2  LEU  33           HB2      LEU  33   8.035   0.550  -7.587
  230    HB3  LEU  33           HB1      LEU  33   9.208  -0.583  -8.235
  231    HG   LEU  33           HG       LEU  33   8.285   1.965  -9.570
  232   HD11  LEU  33          HD11      LEU  33  10.911   1.238  -8.278
  233   HD12  LEU  33          HD12      LEU  33   9.719   2.378  -7.654
  234   HD13  LEU  33          HD13      LEU  33  10.572   2.729  -9.156
  235   HD21  LEU  33          HD21      LEU  33   8.800   0.234 -11.203
  236   HD22  LEU  33          HD22      LEU  33  10.361  -0.050 -10.431
  237   HD23  LEU  33          HD23      LEU  33  10.030   1.497 -11.213
  238    H    ARG  34           HN       ARG  34   8.182  -3.029  -8.909
  239    HA   ARG  34           HA       ARG  34   6.035  -4.150  -7.409
  240    HB2  ARG  34           HB2      ARG  34   8.768  -5.013  -8.201
  241    HB3  ARG  34           HB1      ARG  34   8.032  -5.836  -6.835
  242    HG2  ARG  34           HG2      ARG  34   6.096  -6.388  -8.287
  243    HG3  ARG  34           HG1      ARG  34   6.977  -5.683  -9.646
  244    HD2  ARG  34           HD2      ARG  34   8.744  -7.289  -9.408
  245    HD3  ARG  34           HD1      ARG  34   8.038  -7.907  -7.919
  246    HE   ARG  34           HE       ARG  34   6.057  -8.431  -9.562
  247   HH11  ARG  34          HH11      ARG  34   9.499  -8.792 -10.066
  248   HH12  ARG  34          HH12      ARG  34   9.345 -10.123 -11.173
  249   HH21  ARG  34          HH21      ARG  34   5.829 -10.199 -11.013
  250   HH22  ARG  34          HH22      ARG  34   7.245 -10.919 -11.720
  251    H    PHE  35           HN       PHE  35   5.985  -4.741  -5.212
  252    HA   PHE  35           HA       PHE  35   7.054  -2.979  -3.325
  253    HB2  PHE  35           HB2      PHE  35   6.096  -5.822  -2.967
  254    HB3  PHE  35           HB1      PHE  35   6.458  -4.727  -1.639
  255    HD1  PHE  35           HD2      PHE  35   5.207  -2.398  -1.779
  256    HD2  PHE  35           HD1      PHE  35   3.919  -5.984  -3.687
  257    HE1  PHE  35           HE2      PHE  35   2.914  -1.514  -1.884
  258    HE2  PHE  35           HE1      PHE  35   1.624  -5.102  -3.796
  259    HZ   PHE  35           HZ       PHE  35   1.113  -2.889  -2.871
  260    H    GLU  36           HN       GLU  36   8.219  -6.127  -4.446
  261    HA   GLU  36           HA       GLU  36  10.444  -6.366  -2.754
  262    HB2  GLU  36           HB2      GLU  36  11.347  -7.922  -4.421
  263    HB3  GLU  36           HB1      GLU  36   9.635  -8.223  -4.143
  264    HG2  GLU  36           HG2      GLU  36   9.018  -7.412  -6.211
  265    HG3  GLU  36           HG1      GLU  36  10.484  -6.452  -6.389
  266    H    ASP  37           HN       ASP  37   9.883  -4.253  -5.399
  267    HA   ASP  37           HA       ASP  37  12.685  -3.944  -6.097
  268    HB2  ASP  37           HB2      ASP  37  10.748  -3.892  -7.764
  269    HB3  ASP  37           HB1      ASP  37  10.363  -2.301  -7.121
  270    H    ILE  38           HN       ILE  38  10.159  -2.263  -4.362
  271    HA   ILE  38           HA       ILE  38  11.875   0.039  -3.924
  272    HB   ILE  38           HB       ILE  38   9.921   0.868  -2.522
  273   HG12  ILE  38          HG12      ILE  38   8.503  -1.398  -3.935
  274   HG13  ILE  38          HG11      ILE  38   8.875  -1.373  -2.214
  275   HG21  ILE  38          HG21      ILE  38   8.656   1.542  -4.510
  276   HG22  ILE  38          HG22      ILE  38   9.520   0.330  -5.458
  277   HG23  ILE  38          HG23      ILE  38  10.398   1.687  -4.750
  278   HD11  ILE  38          HD11      ILE  38   7.093   0.591  -3.636
  279   HD12  ILE  38          HD12      ILE  38   7.424   0.542  -1.903
  280   HD13  ILE  38          HD13      ILE  38   6.552  -0.785  -2.676
  281    H    GLY  39           HN       GLY  39  12.088  -2.838  -2.698
  282    HA2  GLY  39           HA2      GLY  39  13.471  -3.459  -0.953
  283    HA3  GLY  39           HA1      GLY  39  13.428  -1.808  -0.367
  284    H    TYR  40           HN       TYR  40  10.434  -3.543  -0.890
  285    HA   TYR  40           HA       TYR  40  10.180  -3.757   2.035
  286    HB2  TYR  40           HB2      TYR  40   8.081  -3.253  -0.073
  287    HB3  TYR  40           HB1      TYR  40   7.683  -3.707   1.583
  288    HD1  TYR  40           HD1      TYR  40   9.021  -1.075  -0.571
  289    HD2  TYR  40           HD2      TYR  40   8.042  -2.161   3.421
  290    HE1  TYR  40           HE1      TYR  40   9.170   1.281   0.098
  291    HE2  TYR  40           HE2      TYR  40   8.190   0.196   4.107
  292    HH   TYR  40           HH       TYR  40   8.336   2.752   1.857
  293    H    ASP  41           HN       ASP  41  10.187  -5.698   2.842
  294    HA   ASP  41           HA       ASP  41   9.922  -7.979   1.046
  295    HB2  ASP  41           HB2      ASP  41  11.867  -7.505   2.759
  296    HB3  ASP  41           HB1      ASP  41  10.751  -8.226   3.914
  297    H    SER  42           HN       SER  42   9.243  -9.993   2.746
  298    HA   SER  42           HA       SER  42   6.500 -10.065   2.465
  299    HB2  SER  42           HB2      SER  42   6.590 -12.073   3.910
  300    HB3  SER  42           HB1      SER  42   7.891 -12.063   2.715
  301    H    LEU  43           HN       LEU  43   8.211  -9.806   5.571
  302    HA   LEU  43           HA       LEU  43   5.937  -9.497   7.154
  303    HB2  LEU  43           HB2      LEU  43   8.132 -10.129   8.027
  304    HB3  LEU  43           HB1      LEU  43   8.746  -8.527   7.668
  305    HG   LEU  43           HG       LEU  43   7.128  -7.585   9.307
  306   HD11  LEU  43          HD11      LEU  43   6.045  -9.109  10.885
  307   HD12  LEU  43          HD12      LEU  43   6.619 -10.489   9.949
  308   HD13  LEU  43          HD13      LEU  43   5.463  -9.361   9.240
  309   HD21  LEU  43          HD21      LEU  43   8.348  -8.343  11.292
  310   HD22  LEU  43          HD22      LEU  43   9.436  -8.026   9.941
  311   HD23  LEU  43          HD23      LEU  43   9.017  -9.685  10.364
  312    H    ALA  44           HN       ALA  44   8.143  -7.004   5.916
  313    HA   ALA  44           HA       ALA  44   6.883  -4.833   7.166
  314    HB1  ALA  44           HB1      ALA  44   8.510  -4.828   4.629
  315    HB2  ALA  44           HB2      ALA  44   9.162  -4.752   6.266
  316    HB3  ALA  44           HB3      ALA  44   8.163  -3.434   5.652
  317    H    LEU  45           HN       LEU  45   6.198  -6.526   4.205
  318    HA   LEU  45           HA       LEU  45   4.672  -4.559   2.911
  319    HB2  LEU  45           HB2      LEU  45   5.537  -6.620   1.848
  320    HB3  LEU  45           HB1      LEU  45   4.369  -7.559   2.756
  321    HG   LEU  45           HG       LEU  45   2.530  -6.470   1.579
  322   HD11  LEU  45          HD11      LEU  45   2.951  -4.937  -0.264
  323   HD12  LEU  45          HD12      LEU  45   4.681  -4.992   0.069
  324   HD13  LEU  45          HD13      LEU  45   3.579  -4.285   1.250
  325   HD21  LEU  45          HD21      LEU  45   2.906  -7.404  -0.637
  326   HD22  LEU  45          HD22      LEU  45   3.534  -8.487   0.605
  327   HD23  LEU  45          HD23      LEU  45   4.640  -7.478  -0.326
  328    H    MET  46           HN       MET  46   3.616  -7.270   5.005
  329    HA   MET  46           HA       MET  46   0.881  -6.496   4.903
  330    HB2  MET  46           HB2      MET  46   0.463  -8.135   6.625
  331    HB3  MET  46           HB1      MET  46   1.561  -8.809   5.432
  332    HG2  MET  46           HG2      MET  46   3.401  -8.649   6.880
  333    HG3  MET  46           HG1      MET  46   2.532  -7.594   7.990
  334    HE1  MET  46           HE1      MET  46   0.596  -8.398   9.609
  335    HE2  MET  46           HE2      MET  46  -0.063 -10.033   9.599
  336    HE3  MET  46           HE3      MET  46  -0.299  -8.980   8.204
  337    H    GLU  47           HN       GLU  47   3.545  -5.680   7.037
  338    HA   GLU  47           HA       GLU  47   2.002  -4.517   9.103
  339    HB2  GLU  47           HB2      GLU  47   4.824  -3.887   8.214
  340    HB3  GLU  47           HB1      GLU  47   4.092  -3.320   9.709
  341    HG2  GLU  47           HG2      GLU  47   3.808  -5.657  10.425
  342    HG3  GLU  47           HG1      GLU  47   4.612  -6.186   8.949
  343    H    THR  48           HN       THR  48   3.377  -3.242   6.121
  344    HA   THR  48           HA       THR  48   2.634  -0.556   6.448
  345    HB   THR  48           HB       THR  48   2.794  -2.083   3.841
  346    HG1  THR  48           HG1      THR  48   4.745  -2.290   5.006
  347   HG21  THR  48          HG21      THR  48   1.758   0.124   3.627
  348   HG22  THR  48          HG22      THR  48   3.355   0.108   2.882
  349   HG23  THR  48          HG23      THR  48   3.129   0.855   4.463
  350    H    ALA  49           HN       ALA  49   0.888  -3.313   5.081
  351    HA   ALA  49           HA       ALA  49  -1.316  -2.006   4.006
  352    HB1  ALA  49           HB1      ALA  49  -1.299  -4.725   5.298
  353    HB2  ALA  49           HB2      ALA  49  -0.773  -4.382   3.649
  354    HB3  ALA  49           HB3      ALA  49  -2.458  -4.130   4.109
  355    H    ALA  50           HN       ALA  50  -0.713  -3.025   7.322
  356    HA   ALA  50           HA       ALA  50  -3.334  -2.728   8.305
  357    HB1  ALA  50           HB1      ALA  50  -2.310  -2.712  10.527
  358    HB2  ALA  50           HB2      ALA  50  -0.718  -2.503   9.797
  359    HB3  ALA  50           HB3      ALA  50  -1.634  -3.985   9.513
  360    H    ARG  51           HN       ARG  51  -0.764  -0.466   7.730
  361    HA   ARG  51           HA       ARG  51  -1.715   1.646   9.356
  362    HB2  ARG  51           HB2      ARG  51   0.013   1.727   6.880
  363    HB3  ARG  51           HB1      ARG  51  -0.215   3.051   8.001
  364    HG2  ARG  51           HG2      ARG  51   0.992   0.400   8.731
  365    HG3  ARG  51           HG1      ARG  51   1.912   1.841   8.305
  366    HD2  ARG  51           HD2      ARG  51   1.860   1.721  10.679
  367    HD3  ARG  51           HD1      ARG  51   0.779   3.024  10.196
  368    HE   ARG  51           HE       ARG  51  -1.011   1.167  10.474
  369   HH11  ARG  51          HH11      ARG  51   1.857   1.535  12.434
  370   HH12  ARG  51          HH12      ARG  51   1.110   0.937  13.886
  371   HH21  ARG  51          HH21      ARG  51  -2.002   0.321  12.368
  372   HH22  ARG  51          HH22      ARG  51  -1.073   0.191  13.835
  373    H    LEU  52           HN       LEU  52  -2.334   0.656   6.052
  374    HA   LEU  52           HA       LEU  52  -3.803   2.968   5.284
  375    HB2  LEU  52           HB2      LEU  52  -3.885   0.162   4.162
  376    HB3  LEU  52           HB1      LEU  52  -4.566   1.583   3.396
  377    HG   LEU  52           HG       LEU  52  -1.627   1.195   3.967
  378   HD11  LEU  52          HD11      LEU  52  -1.413   0.878   1.553
  379   HD12  LEU  52          HD12      LEU  52  -3.170   0.933   1.391
  380   HD13  LEU  52          HD13      LEU  52  -2.406  -0.379   2.289
  381   HD21  LEU  52          HD21      LEU  52  -3.105   3.296   2.387
  382   HD22  LEU  52          HD22      LEU  52  -1.353   3.133   2.493
  383   HD23  LEU  52          HD23      LEU  52  -2.290   3.530   3.934
  384    H    GLU  53           HN       GLU  53  -4.690  -0.231   6.510
  385    HA   GLU  53           HA       GLU  53  -7.466   0.012   6.332
  386    HB2  GLU  53           HB2      GLU  53  -5.823  -1.501   8.369
  387    HB3  GLU  53           HB1      GLU  53  -7.548  -1.706   8.125
  388    HG2  GLU  53           HG2      GLU  53  -7.128  -2.461   5.833
  389    HG3  GLU  53           HG1      GLU  53  -5.396  -2.281   6.107
  390    H    SER  54           HN       SER  54  -5.300   0.803   9.050
  391    HA   SER  54           HA       SER  54  -7.305   1.541  10.870
  392    HB2  SER  54           HB2      SER  54  -4.473   2.598  10.753
  393    HB3  SER  54           HB1      SER  54  -5.525   2.551  12.167
  394    HG   SER  54           HG       SER  54  -5.373   0.081  11.158
  395    H    ARG  55           HN       ARG  55  -5.677   3.367   8.349
  396    HA   ARG  55           HA       ARG  55  -6.430   5.940   9.365
  397    HB2  ARG  55           HB2      ARG  55  -4.379   5.574   8.043
  398    HB3  ARG  55           HB1      ARG  55  -5.360   5.166   6.642
  399    HG2  ARG  55           HG2      ARG  55  -6.179   7.391   6.462
  400    HG3  ARG  55           HG1      ARG  55  -5.507   7.829   8.034
  401    HD2  ARG  55           HD2      ARG  55  -3.914   7.057   5.588
  402    HD3  ARG  55           HD1      ARG  55  -4.134   8.698   6.198
  403    HE   ARG  55           HE       ARG  55  -3.113   7.234   8.302
  404   HH11  ARG  55          HH11      ARG  55  -2.058   8.237   5.112
  405   HH12  ARG  55          HH12      ARG  55  -0.370   8.102   5.497
  406   HH21  ARG  55          HH21      ARG  55  -0.892   7.087   8.804
  407   HH22  ARG  55          HH22      ARG  55   0.302   7.467   7.595
  408    H    TYR  56           HN       TYR  56  -7.609   3.854   6.747
  409    HA   TYR  56           HA       TYR  56  -9.669   5.846   6.145
  410    HB2  TYR  56           HB2      TYR  56  -8.713   3.432   4.609
  411    HB3  TYR  56           HB1      TYR  56 -10.079   4.429   4.112
  412    HD1  TYR  56           HD2      TYR  56  -9.676   6.868   3.589
  413    HD2  TYR  56           HD1      TYR  56  -6.498   4.095   4.144
  414    HE1  TYR  56           HE2      TYR  56  -8.139   8.405   2.441
  415    HE2  TYR  56           HE1      TYR  56  -4.951   5.624   2.998
  416    HH   TYR  56           HH       TYR  56  -5.038   7.481   1.396
  417    H    GLY  57           HN       GLY  57  -9.333   3.053   7.964
  418    HA2  GLY  57           HA2      GLY  57 -10.911   1.890   9.171
  419    HA3  GLY  57           HA1      GLY  57 -12.138   2.963   8.513
  420    H    VAL  58           HN       VAL  58  -9.884   0.800   6.868
  421    HA   VAL  58           HA       VAL  58 -12.215  -0.516   5.636
  422    HB   VAL  58           HB       VAL  58 -10.827  -1.021   3.690
  423   HG11  VAL  58          HG11      VAL  58 -10.741   1.891   4.458
  424   HG12  VAL  58          HG12      VAL  58 -12.074   1.055   3.658
  425   HG13  VAL  58          HG13      VAL  58 -10.531   1.259   2.825
  426   HG21  VAL  58          HG21      VAL  58  -8.667  -1.181   4.832
  427   HG22  VAL  58          HG22      VAL  58  -8.672   0.564   5.083
  428   HG23  VAL  58          HG23      VAL  58  -8.587  -0.092   3.448
  429    H    SER  59           HN       SER  59 -11.245  -2.723   4.581
  430    HA   SER  59           HA       SER  59  -9.568  -4.116   6.515
  431    HB2  SER  59           HB2      SER  59 -12.275  -5.144   5.615
  432    HB3  SER  59           HB1      SER  59 -11.159  -5.962   6.702
  433    HG   SER  59           HG       SER  59 -12.873  -4.832   7.790
  434    H    ILE  60           HN       ILE  60  -8.002  -5.064   5.365
  435    HA   ILE  60           HA       ILE  60  -8.446  -5.516   2.512
  436    HB   ILE  60           HB       ILE  60  -5.889  -5.706   4.121
  437   HG12  ILE  60          HG12      ILE  60  -6.869  -3.568   2.208
  438   HG13  ILE  60          HG11      ILE  60  -6.813  -3.421   3.961
  439   HG21  ILE  60          HG21      ILE  60  -4.748  -5.792   1.962
  440   HG22  ILE  60          HG22      ILE  60  -6.303  -5.772   1.128
  441   HG23  ILE  60          HG23      ILE  60  -5.860  -7.150   2.137
  442   HD11  ILE  60          HD11      ILE  60  -4.947  -2.272   2.919
  443   HD12  ILE  60          HD12      ILE  60  -4.436  -3.775   2.151
  444   HD13  ILE  60          HD13      ILE  60  -4.387  -3.622   3.907
  445    HA   PRO  61           HA       PRO  61  -9.279  -9.820   3.504
  446    HB2  PRO  61           HB2      PRO  61  -9.536 -10.066   0.583
  447    HB3  PRO  61           HB1      PRO  61 -10.730 -10.380   1.846
  448    HG2  PRO  61           HG2      PRO  61 -10.925  -8.266   0.201
  449    HG3  PRO  61           HG1      PRO  61 -11.451  -8.193   1.894
  450    HD2  PRO  61           HD2      PRO  61  -8.930  -7.164   0.645
  451    HD3  PRO  61           HD1      PRO  61  -9.968  -6.408   1.873
  452    H    ASP  62           HN       ASP  62  -7.752 -11.304   3.805
  453    HA   ASP  62           HA       ASP  62  -5.187 -11.089   2.645
  454    HB2  ASP  62           HB2      ASP  62  -4.672 -13.202   3.807
  455    HB3  ASP  62           HB1      ASP  62  -5.454 -12.037   4.869
  456    H    ASP  63           HN       ASP  63  -8.017 -12.389   1.409
  457    HA   ASP  63           HA       ASP  63  -6.881 -14.373  -0.310
  458    HB2  ASP  63           HB2      ASP  63  -9.437 -12.766  -0.575
  459    HB3  ASP  63           HB1      ASP  63  -8.998 -14.131  -1.596
  460    H    VAL  64           HN       VAL  64  -8.022 -11.040  -0.836
  461    HA   VAL  64           HA       VAL  64  -6.946 -10.959  -3.493
  462    HB   VAL  64           HB       VAL  64  -7.820  -8.541  -1.942
  463   HG11  VAL  64          HG11      VAL  64  -8.479  -7.723  -4.155
  464   HG12  VAL  64          HG12      VAL  64  -7.927  -9.234  -4.878
  465   HG13  VAL  64          HG13      VAL  64  -6.770  -8.149  -4.107
  466   HG21  VAL  64          HG21      VAL  64  -9.614 -10.481  -3.397
  467   HG22  VAL  64          HG22      VAL  64 -10.103  -8.920  -2.737
  468   HG23  VAL  64          HG23      VAL  64  -9.570 -10.208  -1.657
  469    H    ALA  65           HN       ALA  65  -5.793 -10.246  -0.349
  470    HA   ALA  65           HA       ALA  65  -3.791  -8.372  -0.899
  471    HB1  ALA  65           HB1      ALA  65  -4.460  -8.917   1.368
  472    HB2  ALA  65           HB2      ALA  65  -2.726  -9.161   1.168
  473    HB3  ALA  65           HB3      ALA  65  -3.816 -10.549   1.187
  474    H    GLY  66           HN       GLY  66  -3.959 -11.789  -1.462
  475    HA2  GLY  66           HA2      GLY  66  -1.120 -11.879  -2.195
  476    HA3  GLY  66           HA1      GLY  66  -2.187 -13.266  -2.025
  477    H    ARG  67           HN       ARG  67  -3.619 -10.711  -3.716
  478    HA   ARG  67           HA       ARG  67  -3.108 -12.104  -6.256
  479    HB2  ARG  67           HB2      ARG  67  -5.430 -10.343  -5.439
  480    HB3  ARG  67           HB1      ARG  67  -5.219 -11.044  -7.039
  481    HG2  ARG  67           HG2      ARG  67  -5.366 -13.284  -6.083
  482    HG3  ARG  67           HG1      ARG  67  -5.552 -12.590  -4.473
  483    HD2  ARG  67           HD2      ARG  67  -7.704 -13.275  -5.438
  484    HD3  ARG  67           HD1      ARG  67  -7.640 -11.540  -5.138
  485    HE   ARG  67           HE       ARG  67  -6.881 -12.255  -7.818
  486   HH11  ARG  67          HH11      ARG  67  -9.646 -11.705  -5.727
  487   HH12  ARG  67          HH12      ARG  67 -10.659 -11.134  -7.022
  488   HH21  ARG  67          HH21      ARG  67  -8.217 -11.535  -9.503
  489   HH22  ARG  67          HH22      ARG  67  -9.848 -11.048  -9.171
  490    H    VAL  68           HN       VAL  68  -2.227  -9.394  -4.568
  491    HA   VAL  68           HA       VAL  68  -1.962  -7.719  -6.958
  492    HB   VAL  68           HB       VAL  68  -1.336  -5.894  -5.444
  493   HG11  VAL  68          HG11      VAL  68  -3.877  -7.318  -4.666
  494   HG12  VAL  68          HG12      VAL  68  -3.675  -6.164  -5.987
  495   HG13  VAL  68          HG13      VAL  68  -3.509  -5.631  -4.313
  496   HG21  VAL  68          HG21      VAL  68  -0.247  -7.180  -3.688
  497   HG22  VAL  68          HG22      VAL  68  -1.790  -7.905  -3.239
  498   HG23  VAL  68          HG23      VAL  68  -1.528  -6.177  -3.007
  499    H    ASP  69           HN       ASP  69   0.126  -6.489  -7.135
  500    HA   ASP  69           HA       ASP  69   2.457  -7.825  -6.009
  501    HB2  ASP  69           HB2      ASP  69   1.899  -8.972  -8.192
  502    HB3  ASP  69           HB1      ASP  69   2.181  -7.438  -9.001
  503    H    THR  70           HN       THR  70   1.070  -5.257  -7.969
  504    HA   THR  70           HA       THR  70   3.278  -3.492  -7.138
  505    HB   THR  70           HB       THR  70   2.493  -2.004  -9.020
  506    HG1  THR  70           HG1      THR  70   0.880  -4.301  -9.524
  507   HG21  THR  70          HG21      THR  70   4.453  -3.434  -9.282
  508   HG22  THR  70          HG22      THR  70   3.545  -3.345 -10.794
  509   HG23  THR  70          HG23      THR  70   3.419  -4.775  -9.771
  510    HA   PRO  71           HA       PRO  71   0.566  -1.073  -4.545
  511    HB2  PRO  71           HB2      PRO  71   1.894   1.272  -5.805
  512    HB3  PRO  71           HB1      PRO  71   1.717   0.863  -4.096
  513    HG2  PRO  71           HG2      PRO  71   4.052   0.566  -5.339
  514    HG3  PRO  71           HG1      PRO  71   3.508  -0.605  -4.124
  515    HD2  PRO  71           HD2      PRO  71   3.554  -0.831  -7.098
  516    HD3  PRO  71           HD1      PRO  71   3.855  -2.069  -5.864
  517    H    ARG  72           HN       ARG  72   0.979  -0.297  -7.934
  518    HA   ARG  72           HA       ARG  72  -1.153   1.400  -8.411
  519    HB2  ARG  72           HB2      ARG  72   0.710   0.084  -9.933
  520    HB3  ARG  72           HB1      ARG  72  -0.773  -0.721 -10.421
  521    HG2  ARG  72           HG2      ARG  72  -0.733   2.250 -10.378
  522    HG3  ARG  72           HG1      ARG  72   0.129   1.413 -11.669
  523    HD2  ARG  72           HD2      ARG  72  -2.022   1.847 -12.513
  524    HD3  ARG  72           HD1      ARG  72  -2.020   0.140 -12.078
  525    HE   ARG  72           HE       ARG  72  -3.019   1.374  -9.869
  526   HH11  ARG  72          HH11      ARG  72  -3.859   1.385 -13.267
  527   HH12  ARG  72          HH12      ARG  72  -5.555   1.659 -12.980
  528   HH21  ARG  72          HH21      ARG  72  -5.251   1.743  -9.493
  529   HH22  ARG  72          HH22      ARG  72  -6.343   1.838 -10.836
  530    H    GLU  73           HN       GLU  73  -1.109  -2.146  -8.345
  531    HA   GLU  73           HA       GLU  73  -3.883  -2.499  -8.851
  532    HB2  GLU  73           HB2      GLU  73  -1.943  -4.370  -7.487
  533    HB3  GLU  73           HB1      GLU  73  -3.493  -4.817  -8.187
  534    HG2  GLU  73           HG2      GLU  73  -2.711  -4.371 -10.388
  535    HG3  GLU  73           HG1      GLU  73  -1.230  -3.639  -9.769
  536    H    LEU  74           HN       LEU  74  -1.930  -2.474  -5.904
  537    HA   LEU  74           HA       LEU  74  -3.902  -3.188  -4.060
  538    HB2  LEU  74           HB2      LEU  74  -1.350  -2.904  -3.777
  539    HB3  LEU  74           HB1      LEU  74  -1.703  -1.218  -3.466
  540    HG   LEU  74           HG       LEU  74  -1.369  -2.646  -1.431
  541   HD11  LEU  74          HD11      LEU  74  -3.186  -1.667  -0.169
  542   HD12  LEU  74          HD12      LEU  74  -4.070  -1.331  -1.660
  543   HD13  LEU  74          HD13      LEU  74  -2.547  -0.505  -1.328
  544   HD21  LEU  74          HD21      LEU  74  -3.984  -3.835  -2.338
  545   HD22  LEU  74          HD22      LEU  74  -3.288  -4.048  -0.730
  546   HD23  LEU  74          HD23      LEU  74  -2.442  -4.668  -2.150
  547    H    LEU  75           HN       LEU  75  -2.914  -0.004  -5.217
  548    HA   LEU  75           HA       LEU  75  -4.648   1.591  -3.744
  549    HB2  LEU  75           HB2      LEU  75  -2.825   2.467  -5.107
  550    HB3  LEU  75           HB1      LEU  75  -3.641   1.947  -6.566
  551    HG   LEU  75           HG       LEU  75  -5.488   3.550  -6.010
  552   HD11  LEU  75          HD11      LEU  75  -4.986   5.339  -4.405
  553   HD12  LEU  75          HD12      LEU  75  -3.519   4.482  -3.924
  554   HD13  LEU  75          HD13      LEU  75  -5.100   3.760  -3.629
  555   HD21  LEU  75          HD21      LEU  75  -4.208   5.541  -6.711
  556   HD22  LEU  75          HD22      LEU  75  -3.821   4.107  -7.662
  557   HD23  LEU  75          HD23      LEU  75  -2.711   4.659  -6.408
  558    H    ASP  76           HN       ASP  76  -5.159  -0.047  -6.840
  559    HA   ASP  76           HA       ASP  76  -7.698   1.133  -7.346
  560    HB2  ASP  76           HB2      ASP  76  -6.052   0.069  -9.010
  561    HB3  ASP  76           HB1      ASP  76  -6.750  -1.470  -8.519
  562    H    LEU  77           HN       LEU  77  -6.626  -1.672  -5.621
  563    HA   LEU  77           HA       LEU  77  -9.072  -3.069  -5.446
  564    HB2  LEU  77           HB2      LEU  77  -6.992  -4.149  -4.872
  565    HB3  LEU  77           HB1      LEU  77  -6.687  -2.982  -3.601
  566    HG   LEU  77           HG       LEU  77  -8.635  -3.860  -2.355
  567   HD11  LEU  77          HD11      LEU  77  -9.592  -6.029  -3.048
  568   HD12  LEU  77          HD12      LEU  77  -8.726  -5.892  -4.578
  569   HD13  LEU  77          HD13      LEU  77  -9.974  -4.718  -4.161
  570   HD21  LEU  77          HD21      LEU  77  -6.434  -4.680  -1.817
  571   HD22  LEU  77          HD22      LEU  77  -6.522  -5.870  -3.114
  572   HD23  LEU  77          HD23      LEU  77  -7.593  -6.006  -1.719
  573    H    ILE  78           HN       ILE  78  -7.498  -0.929  -3.068
  574    HA   ILE  78           HA       ILE  78  -9.710  -1.012  -1.291
  575    HB   ILE  78           HB       ILE  78  -7.436   0.979  -1.385
  576   HG12  ILE  78          HG12      ILE  78  -7.769  -1.619   0.142
  577   HG13  ILE  78          HG11      ILE  78  -6.636  -1.321  -1.175
  578   HG21  ILE  78          HG21      ILE  78  -9.357   0.291   0.838
  579   HG22  ILE  78          HG22      ILE  78  -9.321   1.798  -0.078
  580   HG23  ILE  78          HG23      ILE  78  -7.972   1.376   0.978
  581   HD11  ILE  78          HD11      ILE  78  -5.509  -1.275   0.970
  582   HD12  ILE  78          HD12      ILE  78  -6.597  -0.006   1.539
  583   HD13  ILE  78          HD13      ILE  78  -5.472   0.320   0.219
  584    H    ASN  79           HN       ASN  79  -8.589   1.433  -3.623
  585    HA   ASN  79           HA       ASN  79 -10.580   3.345  -3.095
  586    HB2  ASN  79           HB2      ASN  79  -8.924   2.804  -5.555
  587    HB3  ASN  79           HB1      ASN  79 -10.090   4.120  -5.485
  588   HD21  ASN  79          HD21      ASN  79  -8.484   5.687  -5.694
  589   HD22  ASN  79          HD22      ASN  79  -7.384   6.055  -4.409
  590    H    GLY  80           HN       GLY  80 -10.553   0.528  -5.211
  591    HA2  GLY  80           HA2      GLY  80 -12.899   1.065  -6.659
  592    HA3  GLY  80           HA1      GLY  80 -12.232  -0.534  -6.365
  593    H    ALA  81           HN       ALA  81 -12.419  -0.420  -3.507
  594    HA   ALA  81           HA       ALA  81 -15.138  -1.236  -3.181
  595    HB1  ALA  81           HB1      ALA  81 -12.952  -0.827  -1.138
  596    HB2  ALA  81           HB2      ALA  81 -13.349  -2.336  -1.959
  597    HB3  ALA  81           HB3      ALA  81 -14.500  -1.615  -0.833
  598    H    LEU  82           HN       LEU  82 -13.220   1.537  -2.071
  599    HA   LEU  82           HA       LEU  82 -15.261   2.671  -0.459
  600    HB2  LEU  82           HB2      LEU  82 -12.820   3.939  -1.693
  601    HB3  LEU  82           HB1      LEU  82 -13.825   4.684  -0.467
  602    HG   LEU  82           HG       LEU  82 -12.274   2.126  -0.079
  603   HD11  LEU  82          HD11      LEU  82 -11.665   4.926   0.858
  604   HD12  LEU  82          HD12      LEU  82 -10.787   4.037  -0.387
  605   HD13  LEU  82          HD13      LEU  82 -10.763   3.472   1.285
  606   HD21  LEU  82          HD21      LEU  82 -12.797   2.467   2.286
  607   HD22  LEU  82          HD22      LEU  82 -14.265   2.291   1.324
  608   HD23  LEU  82          HD23      LEU  82 -13.756   3.889   1.871
  609    H    ALA  83           HN       ALA  83 -14.507   2.905  -3.847
  610    HA   ALA  83           HA       ALA  83 -15.848   5.343  -4.395
  611    HB1  ALA  83           HB1      ALA  83 -15.692   4.694  -6.739
  612    HB2  ALA  83           HB2      ALA  83 -15.239   3.057  -6.264
  613    HB3  ALA  83           HB3      ALA  83 -14.168   4.410  -5.899
  614    H    GLU  84           HN       GLU  84 -17.132   2.423  -3.430
  615    HA   GLU  84           HA       GLU  84 -19.548   2.549  -5.014
  616    HB2  GLU  84           HB2      GLU  84 -18.556   0.400  -4.147
  617    HB3  GLU  84           HB1      GLU  84 -19.016   0.910  -2.528
  618    HG2  GLU  84           HG2      GLU  84 -21.355   0.922  -3.175
  619    HG3  GLU  84           HG1      GLU  84 -20.915   0.464  -4.820
  620    H    ALA  85           HN       ALA  85 -18.330   4.101  -2.274
  621    HA   ALA  85           HA       ALA  85 -21.038   4.811  -1.353
  622    HB1  ALA  85           HB1      ALA  85 -18.416   5.074   0.118
  623    HB2  ALA  85           HB2      ALA  85 -19.623   3.814   0.378
  624    HB3  ALA  85           HB3      ALA  85 -20.007   5.494   0.750
  625    H    ALA  86           HN       ALA  86 -21.167   7.121  -0.509
  626    HA   ALA  86           HA       ALA  86 -20.066   8.866  -2.567
  627    HB1  ALA  86           HB1      ALA  86 -21.754  10.488  -1.796
  628    HB2  ALA  86           HB2      ALA  86 -22.254   9.347  -0.545
  629    HB3  ALA  86           HB3      ALA  86 -22.472   8.942  -2.246
  630    H28  SXO  87          H28B      SXO  87   6.181 -11.768   5.947
  631   H28A  SXO  87          H28A      SXO  87   6.765 -12.529   7.427
  632    H30  SXO  87          H30A      SXO  87   3.978 -11.481   6.422
  633   H30A  SXO  87          H30C      SXO  87   3.022 -12.682   7.292
  634   H30B  SXO  87          H30B      SXO  87   4.379 -11.886   8.090
  635    H31  SXO  87          H31A      SXO  87   3.473 -14.414   5.508
  636   H31A  SXO  87          H31B      SXO  87   5.133 -14.665   4.969
  637   H31B  SXO  87          H31C      SXO  87   4.315 -13.140   4.624
  638    H32  SXO  87          H32A      SXO  87   5.372 -14.092   8.658
  639   HO33  SXO  87          H33A      SXO  87   5.590 -16.065   6.641
  640   HN36  SXO  87          H36A      SXO  87   3.033 -13.678   9.001
  641    H37  SXO  87          H37A      SXO  87   1.283 -15.968   8.343
  642   H37A  SXO  87          H37B      SXO  87   1.408 -15.316   9.972
  643    H38  SXO  87          H38B      SXO  87   0.715 -13.073   8.910
  644   H38A  SXO  87          H38A      SXO  87  -0.516 -14.317   9.155
  645   HN41  SXO  87          H41A      SXO  87   0.322 -12.041   7.119
  646    H42  SXO  87          H42A      SXO  87   0.021 -13.441   4.585
  647   H42A  SXO  87          H42B      SXO  87  -1.313 -12.401   5.072
  648    H43  SXO  87          H43B      SXO  87   0.265 -10.497   5.203
  649   H43A  SXO  87          H43A      SXO  87   1.541 -11.559   4.585
  650    H2   SXO  87           H2A      SXO  87  -0.266  -9.500   0.882
  651    H2A  SXO  87           H2B      SXO  87   1.377  -8.895   0.681
  652    H3   SXO  87           H3B      SXO  87  -0.714  -7.591   2.420
  653    H3A  SXO  87           H3A      SXO  87   0.879  -6.951   2.010
  654    H4   SXO  87           H4A      SXO  87  -1.403  -7.449   0.099
  655    H4A  SXO  87           H4B      SXO  87   0.206  -6.896  -0.369
  656    H5   SXO  87           H5B      SXO  87  -1.488  -5.078  -0.179
  657    H5A  SXO  87           H5A      SXO  87  -1.598  -5.424   1.548
  658    H6   SXO  87           H6A      SXO  87   0.913  -4.602   0.082
  659    H6A  SXO  87           H6B      SXO  87   0.768  -4.896   1.818
  660    H7   SXO  87           H7A      SXO  87  -0.800  -3.033   2.019
  661    H7A  SXO  87           H7B      SXO  87  -0.693  -2.749   0.272
  662    H8   SXO  87           H8C      SXO  87   1.606  -2.607   2.216
  663    H8A  SXO  87           H8A      SXO  87   0.746  -1.221   1.546
  664    H8B  SXO  87           H8B      SXO  87   1.680  -2.276   0.485
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1 -18.307  12.806   2.811
    2    H2   MET   1           HT2      MET   1 -19.285  11.955   1.720
    3    H3   MET   1           HT3      MET   1 -19.539  13.611   1.970
    4    HA   MET   1           HA       MET   1 -18.427  13.275  -0.112
    5    HB2  MET   1           HB2      MET   1 -16.562  14.380   2.006
    6    HB3  MET   1           HB1      MET   1 -16.433  14.682   0.280
    7    HG2  MET   1           HG2      MET   1 -18.695  15.524   2.073
    8    HG3  MET   1           HG1      MET   1 -17.433  16.565   1.420
    9    HE1  MET   1           HE1      MET   1 -20.746  17.640  -0.451
   10    HE2  MET   1           HE2      MET   1 -19.412  18.203   0.556
   11    HE3  MET   1           HE3      MET   1 -20.597  17.070   1.210
   12    H    ALA   2           HN       ALA   2 -16.510  12.038   2.599
   13    HA   ALA   2           HA       ALA   2 -15.147  10.261   2.840
   14    HB1  ALA   2           HB1      ALA   2 -16.283   9.310   0.219
   15    HB2  ALA   2           HB2      ALA   2 -16.973   9.003   1.813
   16    HB3  ALA   2           HB3      ALA   2 -15.396   8.337   1.391
   17    H    THR   3           HN       THR   3 -13.145  11.084   2.777
   18    HA   THR   3           HA       THR   3 -11.813  11.589   0.261
   19    HB   THR   3           HB       THR   3 -11.243  13.071   2.069
   20    HG1  THR   3           HG1      THR   3  -8.982  11.377   1.852
   21   HG21  THR   3          HG21      THR   3 -11.765  11.646   3.975
   22   HG22  THR   3          HG22      THR   3 -10.138  12.311   4.125
   23   HG23  THR   3          HG23      THR   3 -10.361  10.635   3.622
   24    H    LEU   4           HN       LEU   4 -11.148   9.933  -0.908
   25    HA   LEU   4           HA       LEU   4 -10.756   7.326   0.236
   26    HB2  LEU   4           HB2      LEU   4 -10.201   8.239  -2.585
   27    HB3  LEU   4           HB1      LEU   4 -10.383   6.584  -2.034
   28    HG   LEU   4           HG       LEU   4 -12.547   8.688  -2.192
   29   HD11  LEU   4          HD11      LEU   4 -13.545   7.107  -3.798
   30   HD12  LEU   4          HD12      LEU   4 -12.106   6.094  -3.667
   31   HD13  LEU   4          HD13      LEU   4 -11.982   7.722  -4.336
   32   HD21  LEU   4          HD21      LEU   4 -14.077   6.969  -1.401
   33   HD22  LEU   4          HD22      LEU   4 -12.836   7.301  -0.193
   34   HD23  LEU   4          HD23      LEU   4 -12.730   5.849  -1.187
   35    H    LEU   5           HN       LEU   5  -8.764   6.131  -0.939
   36    HA   LEU   5           HA       LEU   5  -6.446   7.185   0.420
   37    HB2  LEU   5           HB2      LEU   5  -7.371   4.701   0.017
   38    HB3  LEU   5           HB1      LEU   5  -6.317   4.811  -1.375
   39    HG   LEU   5           HG       LEU   5  -5.422   5.191   1.484
   40   HD11  LEU   5          HD11      LEU   5  -5.148   2.814  -0.345
   41   HD12  LEU   5          HD12      LEU   5  -6.143   2.910   1.107
   42   HD13  LEU   5          HD13      LEU   5  -4.386   2.987   1.236
   43   HD21  LEU   5          HD21      LEU   5  -3.169   4.954   0.557
   44   HD22  LEU   5          HD22      LEU   5  -4.000   6.371  -0.084
   45   HD23  LEU   5          HD23      LEU   5  -3.846   4.916  -1.070
   46    H    THR   6           HN       THR   6  -4.964   8.496  -0.562
   47    HA   THR   6           HA       THR   6  -4.929   8.586  -3.499
   48    HB   THR   6           HB       THR   6  -3.899  10.768  -3.331
   49    HG1  THR   6           HG1      THR   6  -4.088  10.735  -0.503
   50   HG21  THR   6          HG21      THR   6  -6.200  10.560  -1.386
   51   HG22  THR   6          HG22      THR   6  -6.343  10.700  -3.138
   52   HG23  THR   6          HG23      THR   6  -5.665  12.030  -2.199
   53    H    THR   7           HN       THR   7  -2.693   9.147  -4.444
   54    HA   THR   7           HA       THR   7  -0.836   7.145  -3.764
   55    HB   THR   7           HB       THR   7   0.760   8.708  -5.163
   56    HG1  THR   7           HG1      THR   7  -1.478   9.628  -6.459
   57   HG21  THR   7          HG21      THR   7  -1.654   7.322  -6.326
   58   HG22  THR   7          HG22      THR   7  -0.109   6.568  -5.930
   59   HG23  THR   7          HG23      THR   7  -0.203   7.767  -7.221
   60    H    ASP   8           HN       ASP   8  -1.075  10.547  -2.782
   61    HA   ASP   8           HA       ASP   8   1.457  10.577  -1.453
   62    HB2  ASP   8           HB2      ASP   8   0.371  12.675  -2.132
   63    HB3  ASP   8           HB1      ASP   8  -0.948  12.368  -1.004
   64    H    ASP   9           HN       ASP   9  -1.849   9.920  -0.471
   65    HA   ASP   9           HA       ASP   9  -1.466   9.550   2.272
   66    HB2  ASP   9           HB2      ASP   9  -3.384   8.459   0.262
   67    HB3  ASP   9           HB1      ASP   9  -3.324   7.703   1.846
   68    H    LEU  10           HN       LEU  10  -1.149   7.283  -0.417
   69    HA   LEU  10           HA       LEU  10  -0.316   5.072   1.156
   70    HB2  LEU  10           HB2      LEU  10  -1.255   4.984  -1.180
   71    HB3  LEU  10           HB1      LEU  10   0.285   5.586  -1.755
   72    HG   LEU  10           HG       LEU  10   1.397   3.570  -0.866
   73   HD11  LEU  10          HD11      LEU  10  -1.412   2.703  -0.196
   74   HD12  LEU  10          HD12      LEU  10  -0.115   3.045   0.948
   75   HD13  LEU  10          HD13      LEU  10   0.015   1.667  -0.147
   76   HD21  LEU  10          HD21      LEU  10  -0.920   3.058  -2.728
   77   HD22  LEU  10          HD22      LEU  10   0.469   1.993  -2.511
   78   HD23  LEU  10          HD23      LEU  10   0.694   3.607  -3.182
   79    H    ARG  11           HN       ARG  11   1.394   7.630  -0.591
   80    HA   ARG  11           HA       ARG  11   4.010   6.755  -0.383
   81    HB2  ARG  11           HB2      ARG  11   3.334   8.763  -1.646
   82    HB3  ARG  11           HB1      ARG  11   3.001   9.601  -0.137
   83    HG2  ARG  11           HG2      ARG  11   5.365   9.443   0.475
   84    HG3  ARG  11           HG1      ARG  11   5.694   8.600  -1.037
   85    HD2  ARG  11           HD2      ARG  11   6.317  10.880  -1.334
   86    HD3  ARG  11           HD1      ARG  11   4.847  10.604  -2.259
   87    HE   ARG  11           HE       ARG  11   3.621  11.827  -0.571
   88   HH11  ARG  11          HH11      ARG  11   7.116  12.040  -0.363
   89   HH12  ARG  11          HH12      ARG  11   7.107  13.523   0.540
   90   HH21  ARG  11          HH21      ARG  11   3.592  13.784   0.562
   91   HH22  ARG  11          HH22      ARG  11   5.087  14.536   1.058
   92    H    ARG  12           HN       ARG  12   2.209   8.778   1.918
   93    HA   ARG  12           HA       ARG  12   4.215   8.921   3.878
   94    HB2  ARG  12           HB2      ARG  12   1.223   9.182   4.018
   95    HB3  ARG  12           HB1      ARG  12   2.230   9.327   5.447
   96    HG2  ARG  12           HG2      ARG  12   3.500  11.116   4.140
   97    HG3  ARG  12           HG1      ARG  12   2.118  11.103   3.042
   98    HD2  ARG  12           HD2      ARG  12   1.820  12.842   4.695
   99    HD3  ARG  12           HD1      ARG  12   0.629  11.569   4.958
  100    HE   ARG  12           HE       ARG  12   2.510  10.781   6.652
  101   HH11  ARG  12          HH11      ARG  12   1.163  13.974   6.124
  102   HH12  ARG  12          HH12      ARG  12   1.580  14.545   7.711
  103   HH21  ARG  12          HH21      ARG  12   3.041  11.507   8.734
  104   HH22  ARG  12          HH22      ARG  12   2.643  13.144   9.201
  105    H    ALA  13           HN       ALA  13   1.631   6.586   3.348
  106    HA   ALA  13           HA       ALA  13   1.737   5.316   5.840
  107    HB1  ALA  13           HB1      ALA  13   0.493   3.514   4.806
  108    HB2  ALA  13           HB2      ALA  13   0.917   4.112   3.203
  109    HB3  ALA  13           HB3      ALA  13  -0.123   5.072   4.257
  110    H    LEU  14           HN       LEU  14   3.514   4.665   2.856
  111    HA   LEU  14           HA       LEU  14   4.757   2.304   3.857
  112    HB2  LEU  14           HB2      LEU  14   5.199   4.060   1.479
  113    HB3  LEU  14           HB1      LEU  14   6.438   2.905   1.922
  114    HG   LEU  14           HG       LEU  14   5.009   1.997   0.180
  115   HD11  LEU  14          HD11      LEU  14   4.383  -0.108   1.235
  116   HD12  LEU  14          HD12      LEU  14   4.528   0.639   2.826
  117   HD13  LEU  14          HD13      LEU  14   5.955   0.451   1.809
  118   HD21  LEU  14          HD21      LEU  14   2.977   3.258   0.651
  119   HD22  LEU  14          HD22      LEU  14   2.743   2.343   2.140
  120   HD23  LEU  14          HD23      LEU  14   2.644   1.526   0.580
  121    H    VAL  15           HN       VAL  15   5.849   5.671   3.499
  122    HA   VAL  15           HA       VAL  15   8.488   5.246   4.391
  123    HB   VAL  15           HB       VAL  15   6.830   7.775   4.484
  124   HG11  VAL  15          HG11      VAL  15   8.761   7.916   5.970
  125   HG12  VAL  15          HG12      VAL  15   8.954   8.965   4.566
  126   HG13  VAL  15          HG13      VAL  15   9.819   7.430   4.644
  127   HG21  VAL  15          HG21      VAL  15   7.029   6.856   2.235
  128   HG22  VAL  15          HG22      VAL  15   8.783   6.782   2.411
  129   HG23  VAL  15          HG23      VAL  15   7.964   8.343   2.392
  130    H    GLU  16           HN       GLU  16   5.648   6.506   6.144
  131    HA   GLU  16           HA       GLU  16   7.030   6.811   8.600
  132    HB2  GLU  16           HB2      GLU  16   4.081   6.697   7.972
  133    HB3  GLU  16           HB1      GLU  16   4.723   7.059   9.569
  134    HG2  GLU  16           HG2      GLU  16   5.825   9.029   8.729
  135    HG3  GLU  16           HG1      GLU  16   5.327   8.645   7.084
  136    H    SER  17           HN       SER  17   5.496   4.060   7.123
  137    HA   SER  17           HA       SER  17   5.309   2.606   9.615
  138    HB2  SER  17           HB2      SER  17   3.753   2.279   7.614
  139    HB3  SER  17           HB1      SER  17   5.094   1.436   6.837
  140    HG   SER  17           HG       SER  17   4.854  -0.210   8.159
  141    H    ALA  18           HN       ALA  18   7.565   2.967   6.982
  142    HA   ALA  18           HA       ALA  18   9.133   0.664   7.628
  143    HB1  ALA  18           HB1      ALA  18   9.093   1.618   5.366
  144    HB2  ALA  18           HB2      ALA  18  10.731   1.533   6.017
  145    HB3  ALA  18           HB3      ALA  18   9.878   3.075   5.976
  146    H    GLY  19           HN       GLY  19   9.891   4.153   7.844
  147    HA2  GLY  19           HA2      GLY  19  10.588   4.992  10.064
  148    HA3  GLY  19           HA1      GLY  19  11.506   3.505  10.236
  149    H    GLU  20           HN       GLU  20  11.201   6.293   8.074
  150    HA   GLU  20           HA       GLU  20  12.695   7.650   7.075
  151    HB2  GLU  20           HB2      GLU  20  14.609   6.541   9.137
  152    HB3  GLU  20           HB1      GLU  20  14.933   7.923   8.098
  153    HG2  GLU  20           HG2      GLU  20  12.677   7.763  10.086
  154    HG3  GLU  20           HG1      GLU  20  14.224   8.559  10.373
  155    H    THR  21           HN       THR  21  12.583   6.574   5.119
  156    HA   THR  21           HA       THR  21  14.455   4.428   4.543
  157    HB   THR  21           HB       THR  21  12.720   5.777   2.507
  158    HG1  THR  21           HG1      THR  21  11.449   3.686   3.599
  159   HG21  THR  21          HG21      THR  21  12.603   3.536   1.565
  160   HG22  THR  21          HG22      THR  21  13.520   2.897   2.927
  161   HG23  THR  21          HG23      THR  21  14.284   4.014   1.795
  162    H    ASP  22           HN       ASP  22  16.487   5.076   4.257
  163    HA   ASP  22           HA       ASP  22  17.069   7.674   3.072
  164    HB2  ASP  22           HB2      ASP  22  18.205   6.914   5.171
  165    HB3  ASP  22           HB1      ASP  22  18.984   5.644   4.234
  166    H    GLY  23           HN       GLY  23  17.233   7.773   0.934
  167    HA2  GLY  23           HA2      GLY  23  18.479   7.404  -1.036
  168    HA3  GLY  23           HA1      GLY  23  18.983   5.846  -0.401
  169    H    THR  24           HN       THR  24  15.638   6.762  -0.280
  170    HA   THR  24           HA       THR  24  15.027   5.163  -2.655
  171    HB   THR  24           HB       THR  24  13.722   4.617   0.017
  172    HG1  THR  24           HG1      THR  24  16.073   3.717  -1.025
  173   HG21  THR  24          HG21      THR  24  12.846   2.615  -1.162
  174   HG22  THR  24          HG22      THR  24  13.564   3.214  -2.658
  175   HG23  THR  24          HG23      THR  24  12.277   4.127  -1.872
  176    H    ASP  25           HN       ASP  25  14.069   6.777  -3.781
  177    HA   ASP  25           HA       ASP  25  12.236   8.604  -2.470
  178    HB2  ASP  25           HB2      ASP  25  13.745   9.452  -4.225
  179    HB3  ASP  25           HB1      ASP  25  12.985   8.376  -5.396
  180    H    LEU  26           HN       LEU  26  10.207   8.151  -2.163
  181    HA   LEU  26           HA       LEU  26   8.781   6.520  -4.155
  182    HB2  LEU  26           HB2      LEU  26   8.257   6.810  -1.192
  183    HB3  LEU  26           HB1      LEU  26   7.199   5.963  -2.307
  184    HG   LEU  26           HG       LEU  26  10.048   5.180  -1.664
  185   HD11  LEU  26          HD11      LEU  26   9.016   3.280  -0.512
  186   HD12  LEU  26          HD12      LEU  26   7.419   3.957  -0.832
  187   HD13  LEU  26          HD13      LEU  26   8.550   4.817   0.214
  188   HD21  LEU  26          HD21      LEU  26   9.537   3.147  -2.928
  189   HD22  LEU  26          HD22      LEU  26   9.402   4.583  -3.945
  190   HD23  LEU  26          HD23      LEU  26   7.948   3.795  -3.335
  191    H    SER  27           HN       SER  27   9.314   9.409  -4.108
  192    HA   SER  27           HA       SER  27   6.702  10.539  -3.448
  193    HB2  SER  27           HB2      SER  27   8.933  11.605  -2.739
  194    HB3  SER  27           HB1      SER  27   9.095  12.082  -4.428
  195    HG   SER  27           HG       SER  27   7.182  13.262  -4.242
  196    H    GLY  28           HN       GLY  28   8.740   9.689  -6.115
  197    HA2  GLY  28           HA2      GLY  28   7.165  11.051  -8.099
  198    HA3  GLY  28           HA1      GLY  28   8.406   9.843  -8.403
  199    H    ASP  29           HN       ASP  29   6.786   9.162 -10.057
  200    HA   ASP  29           HA       ASP  29   4.369   7.926  -9.092
  201    HB2  ASP  29           HB2      ASP  29   5.630   7.683 -11.836
  202    HB3  ASP  29           HB1      ASP  29   3.974   7.275 -11.402
  203    H    PHE  30           HN       PHE  30   5.070   6.367  -7.624
  204    HA   PHE  30           HA       PHE  30   7.011   4.389  -8.517
  205    HB2  PHE  30           HB2      PHE  30   7.039   3.645  -6.182
  206    HB3  PHE  30           HB1      PHE  30   7.298   5.382  -6.295
  207    HD1  PHE  30           HD2      PHE  30   5.393   6.931  -5.749
  208    HD2  PHE  30           HD1      PHE  30   5.236   2.753  -4.960
  209    HE1  PHE  30           HE2      PHE  30   3.546   7.303  -4.166
  210    HE2  PHE  30           HE1      PHE  30   3.387   3.116  -3.379
  211    HZ   PHE  30           HZ       PHE  30   2.540   5.393  -2.976
  212    H    LEU  31           HN       LEU  31   3.821   4.653  -8.939
  213    HA   LEU  31           HA       LEU  31   2.674   2.329  -7.928
  214    HB2  LEU  31           HB2      LEU  31   2.012   3.840 -10.442
  215    HB3  LEU  31           HB1      LEU  31   1.025   2.549  -9.788
  216    HG   LEU  31           HG       LEU  31   1.534   5.269  -8.614
  217   HD11  LEU  31          HD11      LEU  31  -0.244   5.044 -10.277
  218   HD12  LEU  31          HD12      LEU  31  -0.870   5.442  -8.676
  219   HD13  LEU  31          HD13      LEU  31  -0.993   3.791  -9.285
  220   HD21  LEU  31          HD21      LEU  31   0.279   4.586  -6.646
  221   HD22  LEU  31          HD22      LEU  31   1.752   3.626  -6.815
  222   HD23  LEU  31          HD23      LEU  31   0.192   2.935  -7.264
  223    H    ASP  32           HN       ASP  32   4.886   2.654 -10.573
  224    HA   ASP  32           HA       ASP  32   4.162   0.049 -11.669
  225    HB2  ASP  32           HB2      ASP  32   6.071   2.201 -12.567
  226    HB3  ASP  32           HB1      ASP  32   6.043   0.606 -13.315
  227    H    LEU  33           HN       LEU  33   6.216   1.289  -9.344
  228    HA   LEU  33           HA       LEU  33   8.312  -0.686  -9.710
  229    HB2  LEU  33           HB2      LEU  33   7.904   1.351  -7.517
  230    HB3  LEU  33           HB1      LEU  33   9.319   0.341  -7.716
  231    HG   LEU  33           HG       LEU  33   8.407   2.440  -9.684
  232   HD11  LEU  33          HD11      LEU  33   9.202   3.438  -7.613
  233   HD12  LEU  33          HD12      LEU  33  10.351   3.709  -8.924
  234   HD13  LEU  33          HD13      LEU  33  10.679   2.480  -7.703
  235   HD21  LEU  33          HD21      LEU  33   9.588   0.612 -10.764
  236   HD22  LEU  33          HD22      LEU  33  10.907   0.758  -9.604
  237   HD23  LEU  33          HD23      LEU  33  10.581   2.069 -10.740
  238    H    ARG  34           HN       ARG  34   8.020  -2.687  -9.028
  239    HA   ARG  34           HA       ARG  34   5.796  -3.433  -7.418
  240    HB2  ARG  34           HB2      ARG  34   8.216  -5.146  -7.947
  241    HB3  ARG  34           HB1      ARG  34   6.574  -5.670  -7.617
  242    HG2  ARG  34           HG2      ARG  34   5.868  -4.721  -9.781
  243    HG3  ARG  34           HG1      ARG  34   7.554  -4.306 -10.113
  244    HD2  ARG  34           HD2      ARG  34   6.361  -7.047  -9.747
  245    HD3  ARG  34           HD1      ARG  34   7.124  -6.382 -11.190
  246    HE   ARG  34           HE       ARG  34   9.227  -6.341  -9.816
  247   HH11  ARG  34          HH11      ARG  34   6.609  -8.532  -8.981
  248   HH12  ARG  34          HH12      ARG  34   7.676  -9.756  -8.361
  249   HH21  ARG  34          HH21      ARG  34  10.620  -7.949  -8.991
  250   HH22  ARG  34          HH22      ARG  34   9.957  -9.432  -8.361
  251    H    PHE  35           HN       PHE  35   5.727  -4.237  -5.323
  252    HA   PHE  35           HA       PHE  35   7.271  -3.030  -3.372
  253    HB2  PHE  35           HB2      PHE  35   5.785  -5.660  -3.183
  254    HB3  PHE  35           HB1      PHE  35   6.348  -4.713  -1.811
  255    HD1  PHE  35           HD2      PHE  35   5.479  -2.266  -1.687
  256    HD2  PHE  35           HD1      PHE  35   3.644  -5.340  -3.987
  257    HE1  PHE  35           HE2      PHE  35   3.367  -0.997  -1.691
  258    HE2  PHE  35           HE1      PHE  35   1.534  -4.077  -3.997
  259    HZ   PHE  35           HZ       PHE  35   1.390  -1.913  -2.841
  260    H    GLU  36           HN       GLU  36   7.652  -6.225  -4.821
  261    HA   GLU  36           HA       GLU  36   9.760  -7.229  -3.349
  262    HB2  GLU  36           HB2      GLU  36   9.102  -7.532  -6.275
  263    HB3  GLU  36           HB1      GLU  36  10.337  -8.478  -5.462
  264    HG2  GLU  36           HG2      GLU  36   7.447  -8.434  -4.634
  265    HG3  GLU  36           HG1      GLU  36   8.143  -9.619  -5.740
  266    H    ASP  37           HN       ASP  37   9.839  -4.868  -5.970
  267    HA   ASP  37           HA       ASP  37  12.716  -5.091  -6.228
  268    HB2  ASP  37           HB2      ASP  37  10.692  -3.328  -7.616
  269    HB3  ASP  37           HB1      ASP  37  12.421  -3.257  -7.934
  270    H    ILE  38           HN       ILE  38  10.393  -3.022  -4.662
  271    HA   ILE  38           HA       ILE  38  12.443  -1.018  -4.135
  272    HB   ILE  38           HB       ILE  38  10.596   0.265  -3.024
  273   HG12  ILE  38          HG12      ILE  38   8.898  -1.942  -4.202
  274   HG13  ILE  38          HG11      ILE  38   9.119  -1.608  -2.490
  275   HG21  ILE  38          HG21      ILE  38   9.534   0.912  -5.151
  276   HG22  ILE  38          HG22      ILE  38  10.232  -0.519  -5.912
  277   HG23  ILE  38          HG23      ILE  38  11.284   0.754  -5.288
  278   HD11  ILE  38          HD11      ILE  38   8.010   0.546  -2.772
  279   HD12  ILE  38          HD12      ILE  38   6.981  -0.790  -3.282
  280   HD13  ILE  38          HD13      ILE  38   7.793   0.207  -4.491
  281    H    GLY  39           HN       GLY  39  12.152  -3.825  -2.878
  282    HA2  GLY  39           HA2      GLY  39  13.296  -4.548  -0.994
  283    HA3  GLY  39           HA1      GLY  39  13.307  -2.899  -0.396
  284    H    TYR  40           HN       TYR  40  10.174  -3.526  -1.198
  285    HA   TYR  40           HA       TYR  40   9.534  -4.018   1.590
  286    HB2  TYR  40           HB2      TYR  40   7.885  -3.124  -0.762
  287    HB3  TYR  40           HB1      TYR  40   7.136  -3.630   0.751
  288    HD1  TYR  40           HD2      TYR  40   7.842  -2.433   2.885
  289    HD2  TYR  40           HD1      TYR  40   8.705  -0.932  -1.001
  290    HE1  TYR  40           HE2      TYR  40   8.219  -0.205   3.838
  291    HE2  TYR  40           HE1      TYR  40   9.091   1.303  -0.057
  292    HH   TYR  40           HH       TYR  40   8.434   2.593   1.949
  293    H    ASP  41           HN       ASP  41   9.770  -6.081   2.078
  294    HA   ASP  41           HA       ASP  41   8.952  -8.169   0.246
  295    HB2  ASP  41           HB2      ASP  41   9.936  -9.706   1.789
  296    HB3  ASP  41           HB1      ASP  41  11.014  -8.316   1.707
  297    H    SER  42           HN       SER  42   7.834 -10.089   1.496
  298    HA   SER  42           HA       SER  42   5.169  -9.491   1.780
  299    HB2  SER  42           HB2      SER  42   5.037 -11.736   2.945
  300    HB3  SER  42           HB1      SER  42   5.866 -11.748   1.384
  301    H    LEU  43           HN       LEU  43   7.612  -9.820   4.357
  302    HA   LEU  43           HA       LEU  43   5.769  -9.552   6.500
  303    HB2  LEU  43           HB2      LEU  43   7.999 -10.566   6.738
  304    HB3  LEU  43           HB1      LEU  43   8.738  -9.002   6.463
  305    HG   LEU  43           HG       LEU  43   7.677  -8.157   8.530
  306   HD11  LEU  43          HD11      LEU  43   6.797 -11.018   8.903
  307   HD12  LEU  43          HD12      LEU  43   5.740  -9.647   8.571
  308   HD13  LEU  43          HD13      LEU  43   6.639  -9.719  10.086
  309   HD21  LEU  43          HD21      LEU  43   9.325 -10.657   8.879
  310   HD22  LEU  43          HD22      LEU  43   9.083  -9.405  10.097
  311   HD23  LEU  43          HD23      LEU  43   9.943  -9.029   8.603
  312    H    ALA  44           HN       ALA  44   7.968  -7.223   4.932
  313    HA   ALA  44           HA       ALA  44   7.258  -5.035   6.574
  314    HB1  ALA  44           HB1      ALA  44   9.293  -5.084   5.186
  315    HB2  ALA  44           HB2      ALA  44   8.328  -3.633   4.912
  316    HB3  ALA  44           HB3      ALA  44   8.295  -4.950   3.737
  317    H    LEU  45           HN       LEU  45   5.890  -6.361   3.639
  318    HA   LEU  45           HA       LEU  45   4.160  -4.194   3.056
  319    HB2  LEU  45           HB2      LEU  45   4.844  -5.931   1.431
  320    HB3  LEU  45           HB1      LEU  45   3.896  -7.111   2.314
  321    HG   LEU  45           HG       LEU  45   1.848  -5.827   1.792
  322   HD11  LEU  45          HD11      LEU  45   3.685  -4.158   0.076
  323   HD12  LEU  45          HD12      LEU  45   2.865  -3.618   1.542
  324   HD13  LEU  45          HD13      LEU  45   1.925  -4.061   0.117
  325   HD21  LEU  45          HD21      LEU  45   2.499  -7.693   0.393
  326   HD22  LEU  45          HD22      LEU  45   3.513  -6.634  -0.586
  327   HD23  LEU  45          HD23      LEU  45   1.761  -6.421  -0.583
  328    H    MET  46           HN       MET  46   3.664  -7.270   4.789
  329    HA   MET  46           HA       MET  46   0.899  -6.863   5.239
  330    HB2  MET  46           HB2      MET  46   0.980  -8.762   6.695
  331    HB3  MET  46           HB1      MET  46   2.038  -9.084   5.331
  332    HG2  MET  46           HG2      MET  46   3.368  -9.813   7.006
  333    HG3  MET  46           HG1      MET  46   3.864  -8.127   6.977
  334    HE1  MET  46           HE1      MET  46   0.781  -9.763   9.998
  335    HE2  MET  46           HE2      MET  46   1.598 -10.799   8.830
  336    HE3  MET  46           HE3      MET  46   0.477  -9.556   8.271
  337    H    GLU  47           HN       GLU  47   3.762  -5.941   7.046
  338    HA   GLU  47           HA       GLU  47   2.526  -5.031   9.406
  339    HB2  GLU  47           HB2      GLU  47   4.970  -4.022   7.932
  340    HB3  GLU  47           HB1      GLU  47   4.520  -3.506   9.552
  341    HG2  GLU  47           HG2      GLU  47   4.960  -6.396   8.910
  342    HG3  GLU  47           HG1      GLU  47   6.313  -5.324   9.256
  343    H    THR  48           HN       THR  48   3.230  -3.425   6.345
  344    HA   THR  48           HA       THR  48   2.269  -0.876   7.057
  345    HB   THR  48           HB       THR  48   2.504  -2.029   4.273
  346    HG1  THR  48           HG1      THR  48   4.499  -2.267   5.244
  347   HG21  THR  48          HG21      THR  48   2.884   0.298   3.617
  348   HG22  THR  48          HG22      THR  48   2.641   0.811   5.287
  349   HG23  THR  48          HG23      THR  48   1.308   0.098   4.378
  350    H    ALA  49           HN       ALA  49   0.602  -3.757   6.162
  351    HA   ALA  49           HA       ALA  49  -1.677  -2.755   4.899
  352    HB1  ALA  49           HB1      ALA  49  -1.565  -5.101   6.790
  353    HB2  ALA  49           HB2      ALA  49  -1.125  -5.158   5.085
  354    HB3  ALA  49           HB3      ALA  49  -2.787  -4.799   5.555
  355    H    ALA  50           HN       ALA  50  -0.903  -3.037   8.318
  356    HA   ALA  50           HA       ALA  50  -3.452  -2.488   9.368
  357    HB1  ALA  50           HB1      ALA  50  -0.778  -1.883  10.627
  358    HB2  ALA  50           HB2      ALA  50  -1.571  -3.460  10.655
  359    HB3  ALA  50           HB3      ALA  50  -2.320  -2.081  11.461
  360    H    ARG  51           HN       ARG  51  -0.949  -0.478   8.106
  361    HA   ARG  51           HA       ARG  51  -1.576   1.956   9.357
  362    HB2  ARG  51           HB2      ARG  51  -0.355   1.522   6.625
  363    HB3  ARG  51           HB1      ARG  51  -0.265   2.993   7.579
  364    HG2  ARG  51           HG2      ARG  51   0.916   0.341   8.371
  365    HG3  ARG  51           HG1      ARG  51   1.808   1.686   7.654
  366    HD2  ARG  51           HD2      ARG  51   1.221   3.092   9.568
  367    HD3  ARG  51           HD1      ARG  51   0.325   1.751  10.282
  368    HE   ARG  51           HE       ARG  51   3.056   1.088   9.714
  369   HH11  ARG  51          HH11      ARG  51   0.929   2.655  12.022
  370   HH12  ARG  51          HH12      ARG  51   1.984   2.366  13.380
  371   HH21  ARG  51          HH21      ARG  51   4.457   0.756  11.492
  372   HH22  ARG  51          HH22      ARG  51   4.008   1.334  13.071
  373    H    LEU  52           HN       LEU  52  -2.764   0.417   6.427
  374    HA   LEU  52           HA       LEU  52  -4.256   2.759   5.621
  375    HB2  LEU  52           HB2      LEU  52  -4.298  -0.029   4.473
  376    HB3  LEU  52           HB1      LEU  52  -4.976   1.406   3.727
  377    HG   LEU  52           HG       LEU  52  -2.042   0.928   4.255
  378   HD11  LEU  52          HD11      LEU  52  -1.867   0.766   1.822
  379   HD12  LEU  52          HD12      LEU  52  -3.622   0.903   1.689
  380   HD13  LEU  52          HD13      LEU  52  -2.903  -0.497   2.484
  381   HD21  LEU  52          HD21      LEU  52  -1.669   2.951   2.963
  382   HD22  LEU  52          HD22      LEU  52  -2.663   3.302   4.379
  383   HD23  LEU  52          HD23      LEU  52  -3.409   3.179   2.786
  384    H    GLU  53           HN       GLU  53  -5.012  -0.495   6.819
  385    HA   GLU  53           HA       GLU  53  -7.785  -0.348   6.629
  386    HB2  GLU  53           HB2      GLU  53  -6.063  -1.859   8.589
  387    HB3  GLU  53           HB1      GLU  53  -7.799  -2.086   8.438
  388    HG2  GLU  53           HG2      GLU  53  -7.507  -2.763   6.110
  389    HG3  GLU  53           HG1      GLU  53  -5.766  -2.552   6.275
  390    H    SER  54           HN       SER  54  -5.757   0.365   9.477
  391    HA   SER  54           HA       SER  54  -7.907   1.142  11.131
  392    HB2  SER  54           HB2      SER  54  -5.774   0.505  12.094
  393    HB3  SER  54           HB1      SER  54  -4.967   1.846  11.284
  394    HG   SER  54           HG       SER  54  -5.711   3.200  12.739
  395    H    ARG  55           HN       ARG  55  -5.946   2.890   8.828
  396    HA   ARG  55           HA       ARG  55  -6.399   5.499   9.777
  397    HB2  ARG  55           HB2      ARG  55  -4.667   4.564   8.071
  398    HB3  ARG  55           HB1      ARG  55  -5.926   4.866   6.883
  399    HG2  ARG  55           HG2      ARG  55  -5.937   7.215   7.435
  400    HG3  ARG  55           HG1      ARG  55  -4.748   6.944   8.713
  401    HD2  ARG  55           HD2      ARG  55  -3.194   6.056   6.990
  402    HD3  ARG  55           HD1      ARG  55  -4.366   6.516   5.759
  403    HE   ARG  55           HE       ARG  55  -3.612   8.690   7.482
  404   HH11  ARG  55          HH11      ARG  55  -2.788   6.877   4.603
  405   HH12  ARG  55          HH12      ARG  55  -1.837   8.144   3.910
  406   HH21  ARG  55          HH21      ARG  55  -2.344  10.388   6.565
  407   HH22  ARG  55          HH22      ARG  55  -1.613  10.146   5.011
  408    H    TYR  56           HN       TYR  56  -7.977   3.682   7.138
  409    HA   TYR  56           HA       TYR  56  -9.907   5.871   6.867
  410    HB2  TYR  56           HB2      TYR  56  -9.513   3.461   5.083
  411    HB3  TYR  56           HB1      TYR  56 -10.495   4.880   4.730
  412    HD1  TYR  56           HD2      TYR  56  -9.416   7.049   4.267
  413    HD2  TYR  56           HD1      TYR  56  -7.134   3.495   4.782
  414    HE1  TYR  56           HE2      TYR  56  -7.489   8.139   3.206
  415    HE2  TYR  56           HE1      TYR  56  -5.201   4.578   3.718
  416    HH   TYR  56           HH       TYR  56  -4.663   6.385   2.271
  417    H    GLY  57           HN       GLY  57  -9.653   2.799   8.276
  418    HA2  GLY  57           HA2      GLY  57 -11.273   1.742   9.589
  419    HA3  GLY  57           HA1      GLY  57 -12.495   2.798   8.892
  420    H    VAL  58           HN       VAL  58 -10.191   0.876   7.085
  421    HA   VAL  58           HA       VAL  58 -12.446  -0.586   5.891
  422    HB   VAL  58           HB       VAL  58 -11.008  -0.999   3.949
  423   HG11  VAL  58          HG11      VAL  58 -10.852   1.283   3.102
  424   HG12  VAL  58          HG12      VAL  58 -11.089   1.905   4.736
  425   HG13  VAL  58          HG13      VAL  58 -12.375   0.997   3.941
  426   HG21  VAL  58          HG21      VAL  58  -8.822   0.082   3.742
  427   HG22  VAL  58          HG22      VAL  58  -8.845  -1.057   5.086
  428   HG23  VAL  58          HG23      VAL  58  -8.952   0.676   5.398
  429    H    SER  59           HN       SER  59 -11.259  -2.698   4.759
  430    HA   SER  59           HA       SER  59  -9.291  -3.924   6.462
  431    HB2  SER  59           HB2      SER  59 -11.532  -4.409   7.567
  432    HB3  SER  59           HB1      SER  59 -11.934  -5.352   6.132
  433    HG   SER  59           HG       SER  59  -9.483  -5.910   7.302
  434    H    ILE  60           HN       ILE  60  -8.085  -5.354   5.327
  435    HA   ILE  60           HA       ILE  60  -8.751  -5.559   2.479
  436    HB   ILE  60           HB       ILE  60  -6.133  -6.228   3.834
  437   HG12  ILE  60          HG12      ILE  60  -6.936  -3.678   2.405
  438   HG13  ILE  60          HG11      ILE  60  -6.783  -3.846   4.149
  439   HG21  ILE  60          HG21      ILE  60  -6.841  -5.734   0.943
  440   HG22  ILE  60          HG22      ILE  60  -6.414  -7.286   1.665
  441   HG23  ILE  60          HG23      ILE  60  -5.212  -5.997   1.566
  442   HD11  ILE  60          HD11      ILE  60  -4.408  -4.332   3.891
  443   HD12  ILE  60          HD12      ILE  60  -4.837  -2.769   3.197
  444   HD13  ILE  60          HD13      ILE  60  -4.565  -4.156   2.142
  445    HA   PRO  61           HA       PRO  61 -10.171  -9.771   3.049
  446    HB2  PRO  61           HB2      PRO  61  -9.395  -9.844   0.166
  447    HB3  PRO  61           HB1      PRO  61 -10.894 -10.370   0.942
  448    HG2  PRO  61           HG2      PRO  61 -10.819  -8.093  -0.421
  449    HG3  PRO  61           HG1      PRO  61 -11.731  -8.216   1.095
  450    HD2  PRO  61           HD2      PRO  61  -9.100  -6.907   0.570
  451    HD3  PRO  61           HD1      PRO  61 -10.402  -6.426   1.676
  452    H    ASP  62           HN       ASP  62  -9.114 -11.572   3.597
  453    HA   ASP  62           HA       ASP  62  -6.384 -11.510   4.047
  454    HB2  ASP  62           HB2      ASP  62  -7.975 -14.064   3.811
  455    HB3  ASP  62           HB1      ASP  62  -6.579 -13.750   4.833
  456    H    ASP  63           HN       ASP  63  -8.135 -13.321   1.544
  457    HA   ASP  63           HA       ASP  63  -5.714 -14.486   0.530
  458    HB2  ASP  63           HB2      ASP  63  -7.877 -15.685   0.518
  459    HB3  ASP  63           HB1      ASP  63  -8.505 -14.513  -0.635
  460    H    VAL  64           HN       VAL  64  -7.870 -11.882  -0.430
  461    HA   VAL  64           HA       VAL  64  -6.741 -11.515  -3.025
  462    HB   VAL  64           HB       VAL  64  -8.398  -9.560  -1.419
  463   HG11  VAL  64          HG11      VAL  64  -7.880  -9.740  -4.387
  464   HG12  VAL  64          HG12      VAL  64  -7.281  -8.493  -3.295
  465   HG13  VAL  64          HG13      VAL  64  -9.010  -8.629  -3.613
  466   HG21  VAL  64          HG21      VAL  64  -9.278 -11.652  -3.398
  467   HG22  VAL  64          HG22      VAL  64 -10.322 -10.464  -2.618
  468   HG23  VAL  64          HG23      VAL  64  -9.525 -11.709  -1.654
  469    H    ALA  65           HN       ALA  65  -5.911 -10.451   0.146
  470    HA   ALA  65           HA       ALA  65  -4.515  -8.087  -0.418
  471    HB1  ALA  65           HB1      ALA  65  -5.134  -8.802   1.849
  472    HB2  ALA  65           HB2      ALA  65  -3.420  -8.405   1.728
  473    HB3  ALA  65           HB3      ALA  65  -3.935 -10.092   1.758
  474    H    GLY  66           HN       GLY  66  -3.641 -11.406  -0.847
  475    HA2  GLY  66           HA2      GLY  66  -0.849 -10.648  -1.387
  476    HA3  GLY  66           HA1      GLY  66  -1.404 -12.271  -1.000
  477    H    ARG  67           HN       ARG  67  -3.293 -10.409  -3.192
  478    HA   ARG  67           HA       ARG  67  -2.489 -12.199  -5.356
  479    HB2  ARG  67           HB2      ARG  67  -4.860 -12.129  -4.773
  480    HB3  ARG  67           HB1      ARG  67  -4.887 -10.391  -5.028
  481    HG2  ARG  67           HG2      ARG  67  -5.808 -11.189  -6.961
  482    HG3  ARG  67           HG1      ARG  67  -4.122 -10.965  -7.414
  483    HD2  ARG  67           HD2      ARG  67  -5.481 -13.552  -6.678
  484    HD3  ARG  67           HD1      ARG  67  -4.922 -13.070  -8.277
  485    HE   ARG  67           HE       ARG  67  -3.072 -13.539  -6.027
  486   HH11  ARG  67          HH11      ARG  67  -3.963 -13.893  -9.389
  487   HH12  ARG  67          HH12      ARG  67  -2.587 -14.881  -9.782
  488   HH21  ARG  67          HH21      ARG  67  -1.248 -14.816  -6.540
  489   HH22  ARG  67          HH22      ARG  67  -1.057 -15.417  -8.162
  490    H    VAL  68           HN       VAL  68  -1.971  -9.047  -4.280
  491    HA   VAL  68           HA       VAL  68  -1.788  -7.868  -6.937
  492    HB   VAL  68           HB       VAL  68  -1.247  -5.762  -5.791
  493   HG11  VAL  68          HG11      VAL  68  -3.580  -6.312  -6.194
  494   HG12  VAL  68          HG12      VAL  68  -3.407  -5.431  -4.676
  495   HG13  VAL  68          HG13      VAL  68  -3.656  -7.177  -4.660
  496   HG21  VAL  68          HG21      VAL  68  -1.471  -7.399  -3.266
  497   HG22  VAL  68          HG22      VAL  68  -1.369  -5.639  -3.326
  498   HG23  VAL  68          HG23      VAL  68  -0.014  -6.621  -3.887
  499    H    ASP  69           HN       ASP  69   0.201  -6.383  -7.250
  500    HA   ASP  69           HA       ASP  69   2.665  -7.618  -6.283
  501    HB2  ASP  69           HB2      ASP  69   2.255  -8.870  -8.299
  502    HB3  ASP  69           HB1      ASP  69   1.906  -7.406  -9.206
  503    H    THR  70           HN       THR  70   1.202  -5.120  -8.323
  504    HA   THR  70           HA       THR  70   3.424  -3.330  -7.627
  505    HB   THR  70           HB       THR  70   2.492  -1.859  -9.439
  506    HG1  THR  70           HG1      THR  70   0.837  -4.153  -9.841
  507   HG21  THR  70          HG21      THR  70   3.326  -4.653 -10.217
  508   HG22  THR  70          HG22      THR  70   4.401  -3.301  -9.860
  509   HG23  THR  70          HG23      THR  70   3.356  -3.246 -11.280
  510    HA   PRO  71           HA       PRO  71   1.104  -0.829  -4.826
  511    HB2  PRO  71           HB2      PRO  71   2.191   1.504  -6.314
  512    HB3  PRO  71           HB1      PRO  71   2.279   1.124  -4.591
  513    HG2  PRO  71           HG2      PRO  71   4.406   0.826  -6.166
  514    HG3  PRO  71           HG1      PRO  71   4.057  -0.327  -4.864
  515    HD2  PRO  71           HD2      PRO  71   3.656  -0.608  -7.807
  516    HD3  PRO  71           HD1      PRO  71   4.164  -1.819  -6.613
  517    H    ARG  72           HN       ARG  72   0.997   0.027  -8.251
  518    HA   ARG  72           HA       ARG  72  -1.258   1.659  -8.220
  519    HB2  ARG  72           HB2      ARG  72   0.086   1.451 -10.212
  520    HB3  ARG  72           HB1      ARG  72  -0.297  -0.255 -10.347
  521    HG2  ARG  72           HG2      ARG  72  -2.596   0.248 -10.856
  522    HG3  ARG  72           HG1      ARG  72  -2.308   1.966 -10.580
  523    HD2  ARG  72           HD2      ARG  72  -0.964   0.305 -12.700
  524    HD3  ARG  72           HD1      ARG  72  -2.330   1.379 -12.976
  525    HE   ARG  72           HE       ARG  72  -0.845   3.218 -12.215
  526   HH11  ARG  72          HH11      ARG  72   0.613   0.299 -13.539
  527   HH12  ARG  72          HH12      ARG  72   2.083   1.099 -14.008
  528   HH21  ARG  72          HH21      ARG  72   1.071   4.254 -12.852
  529   HH22  ARG  72          HH22      ARG  72   2.358   3.331 -13.594
  530    H    GLU  73           HN       GLU  73  -1.036  -1.862  -8.522
  531    HA   GLU  73           HA       GLU  73  -3.811  -2.336  -8.775
  532    HB2  GLU  73           HB2      GLU  73  -1.662  -4.155  -7.677
  533    HB3  GLU  73           HB1      GLU  73  -3.261  -4.661  -8.216
  534    HG2  GLU  73           HG2      GLU  73  -2.752  -4.090 -10.474
  535    HG3  GLU  73           HG1      GLU  73  -1.227  -3.339  -9.999
  536    H    LEU  74           HN       LEU  74  -1.632  -2.250  -6.003
  537    HA   LEU  74           HA       LEU  74  -3.441  -3.052  -4.013
  538    HB2  LEU  74           HB2      LEU  74  -0.899  -2.748  -3.899
  539    HB3  LEU  74           HB1      LEU  74  -1.219  -1.048  -3.641
  540    HG   LEU  74           HG       LEU  74  -0.730  -2.403  -1.576
  541   HD11  LEU  74          HD11      LEU  74  -1.825  -0.226  -1.450
  542   HD12  LEU  74          HD12      LEU  74  -2.427  -1.325  -0.208
  543   HD13  LEU  74          HD13      LEU  74  -3.396  -1.002  -1.647
  544   HD21  LEU  74          HD21      LEU  74  -1.942  -4.421  -2.157
  545   HD22  LEU  74          HD22      LEU  74  -3.468  -3.535  -2.140
  546   HD23  LEU  74          HD23      LEU  74  -2.555  -3.747  -0.646
  547    H    LEU  75           HN       LEU  75  -2.534   0.201  -5.123
  548    HA   LEU  75           HA       LEU  75  -4.265   1.655  -3.472
  549    HB2  LEU  75           HB2      LEU  75  -2.418   2.644  -4.774
  550    HB3  LEU  75           HB1      LEU  75  -3.315   2.351  -6.251
  551    HG   LEU  75           HG       LEU  75  -5.109   3.887  -5.388
  552   HD11  LEU  75          HD11      LEU  75  -3.041   4.481  -3.278
  553   HD12  LEU  75          HD12      LEU  75  -4.606   3.712  -3.018
  554   HD13  LEU  75          HD13      LEU  75  -4.526   5.392  -3.552
  555   HD21  LEU  75          HD21      LEU  75  -3.832   5.941  -5.838
  556   HD22  LEU  75          HD22      LEU  75  -3.475   4.664  -6.999
  557   HD23  LEU  75          HD23      LEU  75  -2.333   5.023  -5.704
  558    H    ASP  76           HN       ASP  76  -4.715   0.549  -6.818
  559    HA   ASP  76           HA       ASP  76  -7.242   1.723  -7.193
  560    HB2  ASP  76           HB2      ASP  76  -5.644   0.838  -8.970
  561    HB3  ASP  76           HB1      ASP  76  -6.269  -0.765  -8.598
  562    H    LEU  77           HN       LEU  77  -6.293  -1.419  -5.918
  563    HA   LEU  77           HA       LEU  77  -8.830  -2.641  -5.978
  564    HB2  LEU  77           HB2      LEU  77  -6.589  -3.755  -5.600
  565    HB3  LEU  77           HB1      LEU  77  -6.642  -3.150  -3.958
  566    HG   LEU  77           HG       LEU  77  -7.309  -5.574  -4.307
  567   HD11  LEU  77          HD11      LEU  77  -9.106  -5.514  -2.678
  568   HD12  LEU  77          HD12      LEU  77  -9.345  -3.794  -2.980
  569   HD13  LEU  77          HD13      LEU  77  -7.843  -4.359  -2.249
  570   HD21  LEU  77          HD21      LEU  77  -9.783  -4.293  -5.448
  571   HD22  LEU  77          HD22      LEU  77  -9.595  -6.002  -5.049
  572   HD23  LEU  77          HD23      LEU  77  -8.619  -5.280  -6.330
  573    H    ILE  78           HN       ILE  78  -7.134  -1.001  -3.302
  574    HA   ILE  78           HA       ILE  78  -9.342  -1.145  -1.524
  575    HB   ILE  78           HB       ILE  78  -6.980   0.746  -1.450
  576   HG12  ILE  78          HG12      ILE  78  -7.411  -1.929  -0.094
  577   HG13  ILE  78          HG11      ILE  78  -6.362  -1.653  -1.480
  578   HG21  ILE  78          HG21      ILE  78  -8.844   1.494  -0.046
  579   HG22  ILE  78          HG22      ILE  78  -7.484   0.954   0.934
  580   HG23  ILE  78          HG23      ILE  78  -8.894  -0.086   0.735
  581   HD11  ILE  78          HD11      ILE  78  -6.023  -0.485   1.276
  582   HD12  ILE  78          HD12      ILE  78  -4.981  -0.158  -0.111
  583   HD13  ILE  78          HD13      ILE  78  -5.073  -1.786   0.556
  584    H    ASN  79           HN       ASN  79  -8.189   1.330  -3.753
  585    HA   ASN  79           HA       ASN  79  -9.979   3.388  -3.027
  586    HB2  ASN  79           HB2      ASN  79  -7.905   3.536  -4.513
  587    HB3  ASN  79           HB1      ASN  79  -8.896   2.889  -5.810
  588   HD21  ASN  79          HD21      ASN  79  -8.116   5.628  -3.892
  589   HD22  ASN  79          HD22      ASN  79  -9.100   6.773  -4.734
  590    H    GLY  80           HN       GLY  80 -10.179   0.787  -5.427
  591    HA2  GLY  80           HA2      GLY  80 -12.714   1.483  -6.480
  592    HA3  GLY  80           HA1      GLY  80 -11.930  -0.083  -6.613
  593    H    ALA  81           HN       ALA  81 -11.729  -0.499  -3.748
  594    HA   ALA  81           HA       ALA  81 -14.243  -1.715  -3.278
  595    HB1  ALA  81           HB1      ALA  81 -12.048  -1.134  -1.281
  596    HB2  ALA  81           HB2      ALA  81 -12.138  -2.565  -2.310
  597    HB3  ALA  81           HB3      ALA  81 -13.370  -2.284  -1.079
  598    H    LEU  82           HN       LEU  82 -12.734   1.257  -2.180
  599    HA   LEU  82           HA       LEU  82 -14.801   2.034  -0.385
  600    HB2  LEU  82           HB2      LEU  82 -12.636   3.594  -1.788
  601    HB3  LEU  82           HB1      LEU  82 -13.714   4.299  -0.604
  602    HG   LEU  82           HG       LEU  82 -11.793   2.034  -0.081
  603   HD11  LEU  82          HD11      LEU  82 -10.647   4.153  -0.469
  604   HD12  LEU  82          HD12      LEU  82 -10.541   3.665   1.222
  605   HD13  LEU  82          HD13      LEU  82 -11.669   4.934   0.739
  606   HD21  LEU  82          HD21      LEU  82 -12.374   2.375   2.259
  607   HD22  LEU  82          HD22      LEU  82 -13.786   1.914   1.308
  608   HD23  LEU  82          HD23      LEU  82 -13.560   3.596   1.795
  609    H    ALA  83           HN       ALA  83 -14.187   2.509  -3.802
  610    HA   ALA  83           HA       ALA  83 -16.094   4.543  -4.263
  611    HB1  ALA  83           HB1      ALA  83 -14.998   2.491  -6.188
  612    HB2  ALA  83           HB2      ALA  83 -14.292   4.069  -5.837
  613    HB3  ALA  83           HB3      ALA  83 -15.865   3.963  -6.631
  614    H    GLU  84           HN       GLU  84 -16.445   1.181  -3.680
  615    HA   GLU  84           HA       GLU  84 -19.188   1.216  -4.743
  616    HB2  GLU  84           HB2      GLU  84 -17.406  -1.123  -4.030
  617    HB3  GLU  84           HB1      GLU  84 -19.069  -1.259  -4.582
  618    HG2  GLU  84           HG2      GLU  84 -18.454  -0.229  -6.705
  619    HG3  GLU  84           HG1      GLU  84 -16.784  -0.095  -6.155
  620    H    ALA  85           HN       ALA  85 -17.943   2.143  -2.052
  621    HA   ALA  85           HA       ALA  85 -19.833   0.676  -0.339
  622    HB1  ALA  85           HB1      ALA  85 -18.284   0.859   1.516
  623    HB2  ALA  85           HB2      ALA  85 -17.121   1.701   0.493
  624    HB3  ALA  85           HB3      ALA  85 -17.523   0.015   0.168
  625    H    ALA  86           HN       ALA  86 -20.548   1.885   1.562
  626    HA   ALA  86           HA       ALA  86 -20.216   4.762   1.509
  627    HB1  ALA  86           HB1      ALA  86 -22.069   4.408  -0.065
  628    HB2  ALA  86           HB2      ALA  86 -22.596   5.253   1.389
  629    HB3  ALA  86           HB3      ALA  86 -22.957   3.539   1.189
  630    H28  SXO  87          H28B      SXO  87   5.790 -12.674   5.138
  631   H28A  SXO  87          H28A      SXO  87   6.822 -13.993   5.695
  632    H30  SXO  87          H30A      SXO  87   5.291 -14.054   7.668
  633   H30A  SXO  87          H30C      SXO  87   4.274 -12.818   6.925
  634   H30B  SXO  87          H30B      SXO  87   3.567 -14.350   7.437
  635    H31  SXO  87          H31A      SXO  87   2.659 -14.722   5.140
  636   H31A  SXO  87          H31B      SXO  87   3.744 -14.659   3.753
  637   H31B  SXO  87          H31C      SXO  87   3.350 -13.179   4.625
  638    H32  SXO  87          H32A      SXO  87   5.710 -16.152   6.579
  639   HO33  SXO  87          H33A      SXO  87   5.836 -15.687   3.986
  640   HN36  SXO  87          H36A      SXO  87   3.583 -16.063   7.863
  641    H37  SXO  87          H37A      SXO  87   1.287 -17.445   6.761
  642   H37A  SXO  87          H37B      SXO  87   2.236 -18.375   7.907
  643    H38  SXO  87          H38B      SXO  87   1.947 -16.195   9.369
  644   H38A  SXO  87          H38A      SXO  87   0.740 -17.478   9.344
  645   HN41  SXO  87          H41A      SXO  87   1.139 -15.508   6.620
  646    H42  SXO  87          H42A      SXO  87  -1.370 -14.775   6.048
  647   H42A  SXO  87          H42B      SXO  87  -0.914 -13.576   7.258
  648    H43  SXO  87          H43B      SXO  87   0.944 -12.842   5.867
  649   H43A  SXO  87          H43A      SXO  87   0.551 -14.085   4.666
  650    H2   SXO  87           H2A      SXO  87  -1.585 -10.492   2.897
  651    H2A  SXO  87           H2B      SXO  87  -0.310 -10.690   1.696
  652    H3   SXO  87           H3B      SXO  87  -0.112  -8.911   4.119
  653    H3A  SXO  87           H3A      SXO  87   1.043  -9.027   2.792
  654    H4   SXO  87           H4A      SXO  87  -1.819  -8.116   2.506
  655    H4A  SXO  87           H4B      SXO  87  -0.587  -8.134   1.242
  656    H5   SXO  87           H5B      SXO  87  -0.463  -6.504   3.774
  657    H5A  SXO  87           H5A      SXO  87   0.731  -6.507   2.477
  658    H6   SXO  87           H6A      SXO  87  -2.149  -5.641   2.210
  659    H6A  SXO  87           H6B      SXO  87  -0.925  -5.602   0.937
  660    H7   SXO  87           H7A      SXO  87   0.389  -3.997   2.208
  661    H7A  SXO  87           H7B      SXO  87  -0.776  -4.071   3.540
  662    H8   SXO  87           H8C      SXO  87  -1.122  -2.100   2.125
  663    H8A  SXO  87           H8A      SXO  87  -2.507  -3.188   2.079
  664    H8B  SXO  87           H8B      SXO  87  -1.369  -3.151   0.731
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -18.584  12.903   2.219
    2    H2   MET   1           HT2      MET   1 -18.533  14.484   1.604
    3    H3   MET   1           HT3      MET   1 -17.800  14.124   3.090
    4    HA   MET   1           HA       MET   1 -16.967  13.048   0.470
    5    HB2  MET   1           HB2      MET   1 -15.713  15.146   2.253
    6    HB3  MET   1           HB1      MET   1 -14.913  14.418   0.868
    7    HG2  MET   1           HG2      MET   1 -16.591  15.344  -0.617
    8    HG3  MET   1           HG1      MET   1 -17.453  16.029   0.760
    9    HE1  MET   1           HE1      MET   1 -14.166  16.174  -1.416
   10    HE2  MET   1           HE2      MET   1 -13.564  15.812   0.201
   11    HE3  MET   1           HE3      MET   1 -13.229  17.378  -0.535
   12    H    ALA   2           HN       ALA   2 -15.639  11.344   0.557
   13    HA   ALA   2           HA       ALA   2 -14.955  10.326   3.230
   14    HB1  ALA   2           HB1      ALA   2 -15.042   8.893   0.572
   15    HB2  ALA   2           HB2      ALA   2 -16.292   8.843   1.815
   16    HB3  ALA   2           HB3      ALA   2 -14.703   8.148   2.137
   17    H    THR   3           HN       THR   3 -12.851   9.632   3.706
   18    HA   THR   3           HA       THR   3 -10.758  10.926   2.188
   19    HB   THR   3           HB       THR   3  -9.274   9.932   3.976
   20    HG1  THR   3           HG1      THR   3 -10.790   8.186   4.460
   21   HG21  THR   3          HG21      THR   3 -10.058  11.433   5.742
   22   HG22  THR   3          HG22      THR   3 -11.624  11.568   4.941
   23   HG23  THR   3          HG23      THR   3 -10.178  12.208   4.161
   24    H    LEU   4           HN       LEU   4 -10.324   9.920   0.319
   25    HA   LEU   4           HA       LEU   4 -10.254   7.034   0.128
   26    HB2  LEU   4           HB2      LEU   4  -9.569   9.147  -1.919
   27    HB3  LEU   4           HB1      LEU   4  -9.683   7.426  -2.234
   28    HG   LEU   4           HG       LEU   4 -11.953   9.249  -1.438
   29   HD11  LEU   4          HD11      LEU   4 -11.349   7.789  -4.005
   30   HD12  LEU   4          HD12      LEU   4 -11.240   9.531  -3.746
   31   HD13  LEU   4          HD13      LEU   4 -12.807   8.722  -3.670
   32   HD21  LEU   4          HD21      LEU   4 -13.395   7.305  -1.736
   33   HD22  LEU   4          HD22      LEU   4 -12.214   7.015  -0.458
   34   HD23  LEU   4          HD23      LEU   4 -11.982   6.295  -2.049
   35    H    LEU   5           HN       LEU   5  -8.376   5.952  -0.835
   36    HA   LEU   5           HA       LEU   5  -5.885   6.837   0.343
   37    HB2  LEU   5           HB2      LEU   5  -6.275   4.508   0.479
   38    HB3  LEU   5           HB1      LEU   5  -6.789   4.410  -1.191
   39    HG   LEU   5           HG       LEU   5  -4.494   4.701  -1.953
   40   HD11  LEU   5          HD11      LEU   5  -2.637   4.707  -0.353
   41   HD12  LEU   5          HD12      LEU   5  -3.793   4.846   0.973
   42   HD13  LEU   5          HD13      LEU   5  -3.645   6.144  -0.213
   43   HD21  LEU   5          HD21      LEU   5  -4.803   2.584   0.170
   44   HD22  LEU   5          HD22      LEU   5  -3.562   2.596  -1.083
   45   HD23  LEU   5          HD23      LEU   5  -5.264   2.450  -1.525
   46    H    THR   6           HN       THR   6  -4.549   8.198  -0.733
   47    HA   THR   6           HA       THR   6  -4.758   8.220  -3.667
   48    HB   THR   6           HB       THR   6  -3.968  10.525  -3.657
   49    HG1  THR   6           HG1      THR   6  -4.146  10.420  -0.799
   50   HG21  THR   6          HG21      THR   6  -5.921  11.604  -2.594
   51   HG22  THR   6          HG22      THR   6  -6.310  10.072  -1.808
   52   HG23  THR   6          HG23      THR   6  -6.365  10.203  -3.566
   53    H    THR   7           HN       THR   7  -2.640   9.352  -4.561
   54    HA   THR   7           HA       THR   7  -0.544   7.541  -4.403
   55    HB   THR   7           HB       THR   7   0.762   9.574  -5.390
   56    HG1  THR   7           HG1      THR   7  -0.642  11.239  -6.102
   57   HG21  THR   7          HG21      THR   7  -1.712   8.469  -6.728
   58   HG22  THR   7          HG22      THR   7  -0.101   7.753  -6.748
   59   HG23  THR   7          HG23      THR   7  -0.390   9.294  -7.554
   60    H    ASP   8           HN       ASP   8  -0.705  10.838  -3.057
   61    HA   ASP   8           HA       ASP   8   1.760  10.639  -1.695
   62    HB2  ASP   8           HB2      ASP   8  -0.545  12.559  -1.401
   63    HB3  ASP   8           HB1      ASP   8   0.939  12.698  -0.462
   64    H    ASP   9           HN       ASP   9  -1.494   9.778  -0.771
   65    HA   ASP   9           HA       ASP   9  -1.035   9.494   2.000
   66    HB2  ASP   9           HB2      ASP   9  -2.986   8.217   0.109
   67    HB3  ASP   9           HB1      ASP   9  -2.898   7.712   1.792
   68    H    LEU  10           HN       LEU  10  -0.959   7.073  -0.605
   69    HA   LEU  10           HA       LEU  10   0.091   4.969   0.934
   70    HB2  LEU  10           HB2      LEU  10  -0.921   4.821  -1.369
   71    HB3  LEU  10           HB1      LEU  10   0.569   5.486  -2.008
   72    HG   LEU  10           HG       LEU  10   1.773   3.505  -1.013
   73   HD11  LEU  10          HD11      LEU  10   0.443   1.547  -0.437
   74   HD12  LEU  10          HD12      LEU  10  -1.038   2.482  -0.642
   75   HD13  LEU  10          HD13      LEU  10   0.094   2.894   0.646
   76   HD21  LEU  10          HD21      LEU  10   1.125   1.987  -2.794
   77   HD22  LEU  10          HD22      LEU  10   1.191   3.647  -3.388
   78   HD23  LEU  10          HD23      LEU  10  -0.367   2.896  -3.046
   79    H    ARG  11           HN       ARG  11   1.567   7.529  -0.923
   80    HA   ARG  11           HA       ARG  11   4.266   6.968  -0.766
   81    HB2  ARG  11           HB2      ARG  11   3.101   8.811  -2.007
   82    HB3  ARG  11           HB1      ARG  11   2.930   9.665  -0.487
   83    HG2  ARG  11           HG2      ARG  11   5.357   9.858  -0.315
   84    HG3  ARG  11           HG1      ARG  11   5.532   8.983  -1.845
   85    HD2  ARG  11           HD2      ARG  11   4.064  10.740  -2.886
   86    HD3  ARG  11           HD1      ARG  11   4.198  11.645  -1.383
   87    HE   ARG  11           HE       ARG  11   6.783  11.080  -2.260
   88   HH11  ARG  11          HH11      ARG  11   3.984  12.961  -3.273
   89   HH12  ARG  11          HH12      ARG  11   4.930  14.099  -4.191
   90   HH21  ARG  11          HH21      ARG  11   8.020  12.621  -3.420
   91   HH22  ARG  11          HH22      ARG  11   7.226  13.906  -4.280
   92    H    ARG  12           HN       ARG  12   2.125   8.341   1.694
   93    HA   ARG  12           HA       ARG  12   4.282   8.799   3.558
   94    HB2  ARG  12           HB2      ARG  12   1.287   8.893   3.915
   95    HB3  ARG  12           HB1      ARG  12   2.446   9.328   5.159
   96    HG2  ARG  12           HG2      ARG  12   2.242  10.696   2.484
   97    HG3  ARG  12           HG1      ARG  12   1.444  11.259   3.953
   98    HD2  ARG  12           HD2      ARG  12   3.448  12.513   3.723
   99    HD3  ARG  12           HD1      ARG  12   3.713  11.357   5.025
  100    HE   ARG  12           HE       ARG  12   4.849   9.990   3.182
  101   HH11  ARG  12          HH11      ARG  12   4.815  13.501   3.296
  102   HH12  ARG  12          HH12      ARG  12   6.351  13.656   2.482
  103   HH21  ARG  12          HH21      ARG  12   6.885  10.227   2.112
  104   HH22  ARG  12          HH22      ARG  12   7.509  11.824   1.828
  105    H    ALA  13           HN       ALA  13   1.740   6.372   3.100
  106    HA   ALA  13           HA       ALA  13   1.881   5.180   5.623
  107    HB1  ALA  13           HB1      ALA  13   1.048   3.909   3.025
  108    HB2  ALA  13           HB2      ALA  13   0.011   4.848   4.099
  109    HB3  ALA  13           HB3      ALA  13   0.678   3.307   4.640
  110    H    LEU  14           HN       LEU  14   3.634   4.363   2.642
  111    HA   LEU  14           HA       LEU  14   4.892   2.048   3.654
  112    HB2  LEU  14           HB2      LEU  14   5.576   3.958   1.445
  113    HB3  LEU  14           HB1      LEU  14   6.727   2.726   1.918
  114    HG   LEU  14           HG       LEU  14   5.501   1.946   0.011
  115   HD11  LEU  14          HD11      LEU  14   6.060   0.272   1.670
  116   HD12  LEU  14          HD12      LEU  14   4.525  -0.116   0.888
  117   HD13  LEU  14          HD13      LEU  14   4.542   0.576   2.511
  118   HD21  LEU  14          HD21      LEU  14   2.995   2.395   1.619
  119   HD22  LEU  14          HD22      LEU  14   3.086   1.660   0.019
  120   HD23  LEU  14          HD23      LEU  14   3.521   3.356   0.236
  121    H    VAL  15           HN       VAL  15   5.719   5.452   3.815
  122    HA   VAL  15           HA       VAL  15   8.317   5.110   4.905
  123    HB   VAL  15           HB       VAL  15   6.482   7.512   5.074
  124   HG11  VAL  15          HG11      VAL  15   9.451   7.264   5.540
  125   HG12  VAL  15          HG12      VAL  15   8.224   7.636   6.751
  126   HG13  VAL  15          HG13      VAL  15   8.561   8.784   5.454
  127   HG21  VAL  15          HG21      VAL  15   6.919   6.907   2.775
  128   HG22  VAL  15          HG22      VAL  15   8.647   6.798   3.102
  129   HG23  VAL  15          HG23      VAL  15   7.832   8.359   3.183
  130    H    GLU  16           HN       GLU  16   5.093   5.440   6.284
  131    HA   GLU  16           HA       GLU  16   5.766   5.936   8.944
  132    HB2  GLU  16           HB2      GLU  16   3.469   4.253   7.931
  133    HB3  GLU  16           HB1      GLU  16   3.600   4.955   9.534
  134    HG2  GLU  16           HG2      GLU  16   3.592   7.209   8.476
  135    HG3  GLU  16           HG1      GLU  16   3.276   6.419   6.930
  136    H    SER  17           HN       SER  17   5.491   2.887   7.196
  137    HA   SER  17           HA       SER  17   5.981   1.319   9.559
  138    HB2  SER  17           HB2      SER  17   5.866   0.444   6.665
  139    HB3  SER  17           HB1      SER  17   5.753  -0.599   8.083
  140    HG   SER  17           HG       SER  17   3.842   1.001   6.903
  141    H    ALA  18           HN       ALA  18   7.861   2.568   6.895
  142    HA   ALA  18           HA       ALA  18  10.056   0.732   7.320
  143    HB1  ALA  18           HB1      ALA  18  11.146   1.918   5.507
  144    HB2  ALA  18           HB2      ALA  18   9.898   3.164   5.550
  145    HB3  ALA  18           HB3      ALA  18   9.484   1.519   5.070
  146    H    GLY  19           HN       GLY  19   9.535   4.252   7.739
  147    HA2  GLY  19           HA2      GLY  19  10.678   5.783   9.042
  148    HA3  GLY  19           HA1      GLY  19  11.328   4.419   9.944
  149    H    GLU  20           HN       GLU  20  11.767   4.572   6.527
  150    HA   GLU  20           HA       GLU  20  14.635   4.706   6.892
  151    HB2  GLU  20           HB2      GLU  20  13.697   3.038   5.371
  152    HB3  GLU  20           HB1      GLU  20  12.936   4.301   4.419
  153    HG2  GLU  20           HG2      GLU  20  14.939   3.421   3.344
  154    HG3  GLU  20           HG1      GLU  20  15.101   5.132   3.737
  155    H    THR  21           HN       THR  21  15.960   6.321   6.160
  156    HA   THR  21           HA       THR  21  14.661   8.705   5.024
  157    HB   THR  21           HB       THR  21  16.771   8.894   7.181
  158    HG1  THR  21           HG1      THR  21  14.113   8.278   7.369
  159   HG21  THR  21          HG21      THR  21  16.474  10.885   5.760
  160   HG22  THR  21          HG22      THR  21  15.928  11.182   7.411
  161   HG23  THR  21          HG23      THR  21  14.752  10.886   6.130
  162    H    ASP  22           HN       ASP  22  16.832   6.375   4.487
  163    HA   ASP  22           HA       ASP  22  18.773   8.153   3.183
  164    HB2  ASP  22           HB2      ASP  22  19.665   6.373   4.703
  165    HB3  ASP  22           HB1      ASP  22  18.978   5.167   3.616
  166    H    GLY  23           HN       GLY  23  17.170   5.048   2.522
  167    HA2  GLY  23           HA2      GLY  23  17.175   5.714  -0.339
  168    HA3  GLY  23           HA1      GLY  23  16.974   4.107   0.341
  169    H    THR  24           HN       THR  24  15.072   3.505  -0.481
  170    HA   THR  24           HA       THR  24  12.881   3.472  -1.052
  171    HB   THR  24           HB       THR  24  11.289   4.124   0.763
  172    HG1  THR  24           HG1      THR  24  13.220   5.664   1.579
  173   HG21  THR  24          HG21      THR  24  12.316   1.888   0.647
  174   HG22  THR  24          HG22      THR  24  11.981   2.388   2.304
  175   HG23  THR  24          HG23      THR  24  13.629   2.458   1.679
  176    H    ASP  25           HN       ASP  25  13.634   5.173  -2.673
  177    HA   ASP  25           HA       ASP  25  12.718   7.843  -2.255
  178    HB2  ASP  25           HB2      ASP  25  14.556   7.531  -3.763
  179    HB3  ASP  25           HB1      ASP  25  13.634   6.406  -4.754
  180    H    LEU  26           HN       LEU  26  10.571   7.591  -1.646
  181    HA   LEU  26           HA       LEU  26   8.733   6.815  -3.773
  182    HB2  LEU  26           HB2      LEU  26   8.352   7.373  -0.845
  183    HB3  LEU  26           HB1      LEU  26   6.990   7.395  -1.945
  184    HG   LEU  26           HG       LEU  26   7.655   5.016  -2.586
  185   HD11  LEU  26          HD11      LEU  26   9.261   5.262  -0.049
  186   HD12  LEU  26          HD12      LEU  26   9.913   5.036  -1.672
  187   HD13  LEU  26          HD13      LEU  26   8.935   3.770  -0.930
  188   HD21  LEU  26          HD21      LEU  26   6.728   5.578   0.228
  189   HD22  LEU  26          HD22      LEU  26   6.504   4.065  -0.650
  190   HD23  LEU  26          HD23      LEU  26   5.715   5.538  -1.215
  191    H    SER  27           HN       SER  27   9.819   8.736  -4.831
  192    HA   SER  27           HA       SER  27   8.213  11.129  -4.237
  193    HB2  SER  27           HB2      SER  27  10.709  11.288  -3.710
  194    HB3  SER  27           HB1      SER  27  10.977  11.198  -5.450
  195    HG   SER  27           HG       SER  27  10.548  13.232  -5.532
  196    H    GLY  28           HN       GLY  28  10.008   9.394  -6.782
  197    HA2  GLY  28           HA2      GLY  28   8.510  10.743  -8.862
  198    HA3  GLY  28           HA1      GLY  28   9.747   9.518  -9.094
  199    H    ASP  29           HN       ASP  29   8.701   8.156 -10.451
  200    HA   ASP  29           HA       ASP  29   5.973   7.374  -9.881
  201    HB2  ASP  29           HB2      ASP  29   6.215   5.966 -11.957
  202    HB3  ASP  29           HB1      ASP  29   6.397   7.698 -12.189
  203    H    PHE  30           HN       PHE  30   6.172   6.314  -7.935
  204    HA   PHE  30           HA       PHE  30   7.809   3.912  -7.811
  205    HB2  PHE  30           HB2      PHE  30   6.973   3.826  -5.422
  206    HB3  PHE  30           HB1      PHE  30   7.925   5.244  -5.843
  207    HD1  PHE  30           HD1      PHE  30   4.479   4.029  -5.238
  208    HD2  PHE  30           HD2      PHE  30   7.030   7.412  -5.655
  209    HE1  PHE  30           HE1      PHE  30   2.678   5.487  -4.411
  210    HE2  PHE  30           HE2      PHE  30   5.232   8.871  -4.827
  211    HZ   PHE  30           HZ       PHE  30   3.057   7.909  -4.200
  212    H    LEU  31           HN       LEU  31   4.516   4.807  -8.302
  213    HA   LEU  31           HA       LEU  31   3.158   2.560  -7.382
  214    HB2  LEU  31           HB2      LEU  31   2.549   4.406  -9.674
  215    HB3  LEU  31           HB1      LEU  31   1.447   3.152  -9.133
  216    HG   LEU  31           HG       LEU  31   2.388   5.521  -7.511
  217   HD11  LEU  31          HD11      LEU  31   0.767   6.136  -9.196
  218   HD12  LEU  31          HD12      LEU  31   0.022   6.172  -7.599
  219   HD13  LEU  31          HD13      LEU  31  -0.296   4.822  -8.685
  220   HD21  LEU  31          HD21      LEU  31   0.528   3.263  -6.776
  221   HD22  LEU  31          HD22      LEU  31   0.774   4.731  -5.830
  222   HD23  LEU  31          HD23      LEU  31   2.106   3.601  -6.064
  223    H    ASP  32           HN       ASP  32   5.117   2.929 -10.210
  224    HA   ASP  32           HA       ASP  32   3.973   0.564 -11.476
  225    HB2  ASP  32           HB2      ASP  32   6.134   2.419 -12.495
  226    HB3  ASP  32           HB1      ASP  32   5.288   1.187 -13.425
  227    H    LEU  33           HN       LEU  33   6.352   1.255  -9.277
  228    HA   LEU  33           HA       LEU  33   8.175  -0.846 -10.154
  229    HB2  LEU  33           HB2      LEU  33   8.254   0.931  -7.710
  230    HB3  LEU  33           HB1      LEU  33   9.508  -0.201  -8.186
  231    HG   LEU  33           HG       LEU  33   8.660   2.219  -9.783
  232   HD11  LEU  33          HD11      LEU  33  11.153   1.746  -8.156
  233   HD12  LEU  33          HD12      LEU  33   9.805   2.778  -7.680
  234   HD13  LEU  33          HD13      LEU  33  10.769   3.185  -9.100
  235   HD21  LEU  33          HD21      LEU  33  10.570   1.723 -11.178
  236   HD22  LEU  33          HD22      LEU  33   9.493   0.326 -11.131
  237   HD23  LEU  33          HD23      LEU  33  10.976   0.328 -10.177
  238    H    ARG  34           HN       ARG  34   8.113  -2.876  -9.367
  239    HA   ARG  34           HA       ARG  34   5.803  -3.686  -7.907
  240    HB2  ARG  34           HB2      ARG  34   8.254  -5.337  -8.551
  241    HB3  ARG  34           HB1      ARG  34   6.644  -5.936  -8.177
  242    HG2  ARG  34           HG2      ARG  34   5.823  -4.785 -10.235
  243    HG3  ARG  34           HG1      ARG  34   7.504  -4.420 -10.627
  244    HD2  ARG  34           HD2      ARG  34   6.280  -7.153 -10.306
  245    HD3  ARG  34           HD1      ARG  34   6.785  -6.398 -11.816
  246    HE   ARG  34           HE       ARG  34   9.090  -6.527 -10.978
  247   HH11  ARG  34          HH11      ARG  34   6.639  -8.518  -9.484
  248   HH12  ARG  34          HH12      ARG  34   7.766  -9.685  -8.854
  249   HH21  ARG  34          HH21      ARG  34  10.604  -8.085 -10.208
  250   HH22  ARG  34          HH22      ARG  34  10.026  -9.452  -9.301
  251    H    PHE  35           HN       PHE  35   5.757  -4.836  -5.875
  252    HA   PHE  35           HA       PHE  35   6.966  -3.452  -3.797
  253    HB2  PHE  35           HB2      PHE  35   5.738  -6.206  -3.830
  254    HB3  PHE  35           HB1      PHE  35   6.247  -5.397  -2.354
  255    HD1  PHE  35           HD2      PHE  35   5.354  -2.785  -2.392
  256    HD2  PHE  35           HD1      PHE  35   3.486  -6.157  -4.186
  257    HE1  PHE  35           HE2      PHE  35   3.182  -1.639  -2.272
  258    HE2  PHE  35           HE1      PHE  35   1.310  -5.017  -4.070
  259    HZ   PHE  35           HZ       PHE  35   1.154  -2.755  -3.111
  260    H    GLU  36           HN       GLU  36   7.856  -6.713  -4.958
  261    HA   GLU  36           HA       GLU  36  10.086  -7.005  -3.273
  262    HB2  GLU  36           HB2      GLU  36  10.797  -8.796  -4.790
  263    HB3  GLU  36           HB1      GLU  36   9.084  -8.911  -4.406
  264    HG2  GLU  36           HG2      GLU  36   8.501  -7.978  -6.550
  265    HG3  GLU  36           HG1      GLU  36  10.203  -7.712  -6.927
  266    H    ASP  37           HN       ASP  37   9.625  -5.096  -6.056
  267    HA   ASP  37           HA       ASP  37  12.393  -5.020  -6.883
  268    HB2  ASP  37           HB2      ASP  37  10.611  -4.866  -8.548
  269    HB3  ASP  37           HB1      ASP  37   9.962  -3.438  -7.755
  270    H    ILE  38           HN       ILE  38  10.132  -3.028  -5.070
  271    HA   ILE  38           HA       ILE  38  12.127  -0.950  -4.697
  272    HB   ILE  38           HB       ILE  38  10.344   0.089  -3.205
  273   HG12  ILE  38          HG12      ILE  38   8.699  -2.117  -4.464
  274   HG13  ILE  38          HG11      ILE  38   9.031  -1.911  -2.748
  275   HG21  ILE  38          HG21      ILE  38  10.789   0.848  -5.468
  276   HG22  ILE  38          HG22      ILE  38   9.060   0.909  -5.118
  277   HG23  ILE  38          HG23      ILE  38   9.714  -0.396  -6.109
  278   HD11  ILE  38          HD11      ILE  38   7.754   0.174  -2.763
  279   HD12  ILE  38          HD12      ILE  38   6.781  -1.197  -3.294
  280   HD13  ILE  38          HD13      ILE  38   7.414  -0.054  -4.478
  281    H    GLY  39           HN       GLY  39  11.809  -3.880  -3.433
  282    HA2  GLY  39           HA2      GLY  39  12.959  -4.844  -1.692
  283    HA3  GLY  39           HA1      GLY  39  13.564  -3.249  -1.281
  284    H    TYR  40           HN       TYR  40  10.196  -4.411  -1.379
  285    HA   TYR  40           HA       TYR  40  10.083  -3.850   1.504
  286    HB2  TYR  40           HB2      TYR  40   8.074  -3.470  -0.668
  287    HB3  TYR  40           HB1      TYR  40   7.499  -3.825   0.962
  288    HD1  TYR  40           HD2      TYR  40   7.838  -2.249   2.774
  289    HD2  TYR  40           HD1      TYR  40   9.187  -1.353  -1.160
  290    HE1  TYR  40           HE2      TYR  40   8.129   0.104   3.415
  291    HE2  TYR  40           HE1      TYR  40   9.487   1.001  -0.526
  292    HH   TYR  40           HH       TYR  40   8.626   2.574   1.149
  293    H    ASP  41           HN       ASP  41   9.917  -5.482   2.809
  294    HA   ASP  41           HA       ASP  41   9.618  -8.153   1.816
  295    HB2  ASP  41           HB2      ASP  41   9.785  -7.137   4.661
  296    HB3  ASP  41           HB1      ASP  41   9.900  -8.823   4.175
  297    H    SER  42           HN       SER  42   8.120  -9.703   2.736
  298    HA   SER  42           HA       SER  42   5.429  -9.155   2.550
  299    HB2  SER  42           HB2      SER  42   5.192 -11.280   3.963
  300    HB3  SER  42           HB1      SER  42   6.194 -11.425   2.512
  301    H    LEU  43           HN       LEU  43   7.391  -9.404   5.472
  302    HA   LEU  43           HA       LEU  43   5.508  -8.821   7.405
  303    HB2  LEU  43           HB2      LEU  43   7.794  -9.610   7.844
  304    HB3  LEU  43           HB1      LEU  43   8.429  -8.049   7.362
  305    HG   LEU  43           HG       LEU  43   7.226  -7.010   9.270
  306   HD11  LEU  43          HD11      LEU  43   6.346  -8.464  11.035
  307   HD12  LEU  43          HD12      LEU  43   6.613  -9.869  10.000
  308   HD13  LEU  43          HD13      LEU  43   5.444  -8.634   9.531
  309   HD21  LEU  43          HD21      LEU  43   9.571  -7.637   9.465
  310   HD22  LEU  43          HD22      LEU  43   9.104  -9.257   9.980
  311   HD23  LEU  43          HD23      LEU  43   8.731  -7.869  10.999
  312    H    ALA  44           HN       ALA  44   7.688  -6.522   5.763
  313    HA   ALA  44           HA       ALA  44   6.707  -4.229   7.061
  314    HB1  ALA  44           HB1      ALA  44   7.893  -2.971   5.349
  315    HB2  ALA  44           HB2      ALA  44   8.052  -4.430   4.369
  316    HB3  ALA  44           HB3      ALA  44   8.877  -4.318   5.923
  317    H    LEU  45           HN       LEU  45   5.718  -5.885   4.127
  318    HA   LEU  45           HA       LEU  45   4.024  -3.828   3.160
  319    HB2  LEU  45           HB2      LEU  45   4.965  -5.617   1.751
  320    HB3  LEU  45           HB1      LEU  45   3.978  -6.793   2.594
  321    HG   LEU  45           HG       LEU  45   1.949  -5.805   1.691
  322   HD11  LEU  45          HD11      LEU  45   2.043  -3.989   0.064
  323   HD12  LEU  45          HD12      LEU  45   3.782  -3.841   0.319
  324   HD13  LEU  45          HD13      LEU  45   2.663  -3.473   1.633
  325   HD21  LEU  45          HD21      LEU  45   4.045  -6.257  -0.435
  326   HD22  LEU  45          HD22      LEU  45   2.298  -6.333  -0.671
  327   HD23  LEU  45          HD23      LEU  45   3.098  -7.507   0.372
  328    H    MET  46           HN       MET  46   3.465  -6.675   5.222
  329    HA   MET  46           HA       MET  46   0.638  -6.329   5.299
  330    HB2  MET  46           HB2      MET  46   0.547  -8.094   6.794
  331    HB3  MET  46           HB1      MET  46   2.048  -8.431   5.947
  332    HG2  MET  46           HG2      MET  46   3.335  -7.564   7.779
  333    HG3  MET  46           HG1      MET  46   1.872  -7.032   8.607
  334    HE1  MET  46           HE1      MET  46   3.887  -8.638  10.239
  335    HE2  MET  46           HE2      MET  46   2.892  -9.892  10.982
  336    HE3  MET  46           HE3      MET  46   2.281  -8.243  10.850
  337    H    GLU  47           HN       GLU  47   3.300  -5.133   7.274
  338    HA   GLU  47           HA       GLU  47   1.742  -3.955   9.297
  339    HB2  GLU  47           HB2      GLU  47   4.452  -3.197   8.207
  340    HB3  GLU  47           HB1      GLU  47   3.745  -2.487   9.650
  341    HG2  GLU  47           HG2      GLU  47   4.290  -5.425   9.301
  342    HG3  GLU  47           HG1      GLU  47   5.385  -4.296  10.091
  343    H    THR  48           HN       THR  48   2.888  -2.770   6.182
  344    HA   THR  48           HA       THR  48   1.862  -0.165   6.316
  345    HB   THR  48           HB       THR  48   2.145  -1.900   3.848
  346    HG1  THR  48           HG1      THR  48   4.139  -1.812   4.890
  347   HG21  THR  48          HG21      THR  48   2.171   1.100   4.194
  348   HG22  THR  48          HG22      THR  48   0.868   0.156   3.474
  349   HG23  THR  48          HG23      THR  48   2.442   0.236   2.681
  350    H    ALA  49           HN       ALA  49   0.434  -3.190   5.134
  351    HA   ALA  49           HA       ALA  49  -2.021  -2.218   4.245
  352    HB1  ALA  49           HB1      ALA  49  -1.440  -4.874   5.559
  353    HB2  ALA  49           HB2      ALA  49  -1.263  -4.505   3.842
  354    HB3  ALA  49           HB3      ALA  49  -2.861  -4.489   4.588
  355    H    ALA  50           HN       ALA  50  -1.022  -3.227   7.485
  356    HA   ALA  50           HA       ALA  50  -3.526  -2.997   8.747
  357    HB1  ALA  50           HB1      ALA  50  -0.764  -2.684   9.927
  358    HB2  ALA  50           HB2      ALA  50  -1.651  -4.198   9.743
  359    HB3  ALA  50           HB3      ALA  50  -2.251  -2.955  10.838
  360    H    ARG  51           HN       ARG  51  -0.957  -0.694   8.107
  361    HA   ARG  51           HA       ARG  51  -1.901   1.494   9.587
  362    HB2  ARG  51           HB2      ARG  51  -0.462   1.490   6.921
  363    HB3  ARG  51           HB1      ARG  51  -0.637   2.876   7.977
  364    HG2  ARG  51           HG2      ARG  51   0.812   0.342   8.691
  365    HG3  ARG  51           HG1      ARG  51   1.579   1.823   8.121
  366    HD2  ARG  51           HD2      ARG  51  -0.139   1.685  10.587
  367    HD3  ARG  51           HD1      ARG  51   1.609   1.464  10.610
  368    HE   ARG  51           HE       ARG  51   0.615   3.925   9.396
  369   HH11  ARG  51          HH11      ARG  51   2.038   2.334  12.170
  370   HH12  ARG  51          HH12      ARG  51   2.545   3.810  12.930
  371   HH21  ARG  51          HH21      ARG  51   1.287   5.883  10.382
  372   HH22  ARG  51          HH22      ARG  51   2.123   5.829  11.912
  373    H    LEU  52           HN       LEU  52  -2.581   0.447   6.272
  374    HA   LEU  52           HA       LEU  52  -4.283   2.591   5.578
  375    HB2  LEU  52           HB2      LEU  52  -4.240  -0.213   4.457
  376    HB3  LEU  52           HB1      LEU  52  -4.981   1.183   3.700
  377    HG   LEU  52           HG       LEU  52  -2.026   0.885   4.237
  378   HD11  LEU  52          HD11      LEU  52  -3.568   0.612   1.663
  379   HD12  LEU  52          HD12      LEU  52  -2.798  -0.701   2.556
  380   HD13  LEU  52          HD13      LEU  52  -1.813   0.571   1.834
  381   HD21  LEU  52          HD21      LEU  52  -2.755   3.199   4.234
  382   HD22  LEU  52          HD22      LEU  52  -3.581   2.955   2.695
  383   HD23  LEU  52          HD23      LEU  52  -1.823   2.848   2.778
  384    H    GLU  53           HN       GLU  53  -4.959  -0.671   6.803
  385    HA   GLU  53           HA       GLU  53  -7.724  -0.655   6.578
  386    HB2  GLU  53           HB2      GLU  53  -5.948  -2.000   8.610
  387    HB3  GLU  53           HB1      GLU  53  -7.678  -2.296   8.507
  388    HG2  GLU  53           HG2      GLU  53  -7.405  -3.135   6.236
  389    HG3  GLU  53           HG1      GLU  53  -5.674  -2.811   6.319
  390    H    SER  54           HN       SER  54  -5.871   0.083   9.543
  391    HA   SER  54           HA       SER  54  -8.178   0.920  10.958
  392    HB2  SER  54           HB2      SER  54  -6.197   0.067  12.117
  393    HB3  SER  54           HB1      SER  54  -5.262   1.453  11.563
  394    HG   SER  54           HG       SER  54  -7.187   2.618  12.675
  395    H    ARG  55           HN       ARG  55  -6.113   2.558   8.717
  396    HA   ARG  55           HA       ARG  55  -6.605   5.188   9.755
  397    HB2  ARG  55           HB2      ARG  55  -4.557   4.602   8.438
  398    HB3  ARG  55           HB1      ARG  55  -5.580   4.437   7.013
  399    HG2  ARG  55           HG2      ARG  55  -6.216   6.766   7.169
  400    HG3  ARG  55           HG1      ARG  55  -5.244   6.957   8.629
  401    HD2  ARG  55           HD2      ARG  55  -3.229   6.402   7.326
  402    HD3  ARG  55           HD1      ARG  55  -4.224   6.244   5.876
  403    HE   ARG  55           HE       ARG  55  -4.238   8.792   7.339
  404   HH11  ARG  55          HH11      ARG  55  -3.196   6.965   4.544
  405   HH12  ARG  55          HH12      ARG  55  -2.992   8.368   3.546
  406   HH21  ARG  55          HH21      ARG  55  -3.980  10.644   5.996
  407   HH22  ARG  55          HH22      ARG  55  -3.464  10.440   4.343
  408    H    TYR  56           HN       TYR  56  -7.827   3.301   7.014
  409    HA   TYR  56           HA       TYR  56  -9.654   5.480   6.350
  410    HB2  TYR  56           HB2      TYR  56  -9.002   2.923   4.876
  411    HB3  TYR  56           HB1      TYR  56 -10.126   4.156   4.302
  412    HD1  TYR  56           HD2      TYR  56  -9.200   6.523   3.948
  413    HD2  TYR  56           HD1      TYR  56  -6.734   3.089   4.407
  414    HE1  TYR  56           HE2      TYR  56  -7.333   7.730   2.898
  415    HE2  TYR  56           HE1      TYR  56  -4.863   4.282   3.360
  416    HH   TYR  56           HH       TYR  56  -4.371   6.115   2.025
  417    H    GLY  57           HN       GLY  57  -9.656   2.562   8.071
  418    HA2  GLY  57           HA2      GLY  57 -11.430   1.654   9.279
  419    HA3  GLY  57           HA1      GLY  57 -12.535   2.713   8.413
  420    H    VAL  58           HN       VAL  58 -10.185   0.311   7.325
  421    HA   VAL  58           HA       VAL  58 -12.360  -1.139   5.968
  422    HB   VAL  58           HB       VAL  58 -10.930  -1.544   4.031
  423   HG11  VAL  58          HG11      VAL  58 -11.177   1.381   4.691
  424   HG12  VAL  58          HG12      VAL  58 -12.388   0.367   3.906
  425   HG13  VAL  58          HG13      VAL  58 -10.869   0.725   3.083
  426   HG21  VAL  58          HG21      VAL  58  -8.749  -1.460   5.105
  427   HG22  VAL  58          HG22      VAL  58  -8.933   0.271   5.386
  428   HG23  VAL  58          HG23      VAL  58  -8.800  -0.344   3.738
  429    H    SER  59           HN       SER  59 -11.027  -3.210   4.909
  430    HA   SER  59           HA       SER  59  -8.973  -4.229   6.620
  431    HB2  SER  59           HB2      SER  59 -11.105  -4.800   7.856
  432    HB3  SER  59           HB1      SER  59 -11.559  -5.800   6.474
  433    HG   SER  59           HG       SER  59  -9.063  -6.131   7.753
  434    H    ILE  60           HN       ILE  60  -7.697  -5.613   5.513
  435    HA   ILE  60           HA       ILE  60  -8.469  -6.139   2.734
  436    HB   ILE  60           HB       ILE  60  -5.763  -6.397   4.063
  437   HG12  ILE  60          HG12      ILE  60  -6.929  -4.247   2.262
  438   HG13  ILE  60          HG11      ILE  60  -6.516  -4.075   3.965
  439   HG21  ILE  60          HG21      ILE  60  -5.999  -7.902   2.159
  440   HG22  ILE  60          HG22      ILE  60  -4.890  -6.584   1.781
  441   HG23  ILE  60          HG23      ILE  60  -6.536  -6.559   1.150
  442   HD11  ILE  60          HD11      ILE  60  -4.156  -4.433   3.412
  443   HD12  ILE  60          HD12      ILE  60  -4.835  -3.037   2.577
  444   HD13  ILE  60          HD13      ILE  60  -4.585  -4.552   1.704
  445    HA   PRO  61           HA       PRO  61  -9.516 -10.307   3.878
  446    HB2  PRO  61           HB2      PRO  61  -9.317 -10.842   0.982
  447    HB3  PRO  61           HB1      PRO  61 -10.696 -11.020   2.070
  448    HG2  PRO  61           HG2      PRO  61 -10.595  -9.053   0.259
  449    HG3  PRO  61           HG1      PRO  61 -11.323  -8.809   1.858
  450    HD2  PRO  61           HD2      PRO  61  -8.625  -7.973   0.854
  451    HD3  PRO  61           HD1      PRO  61  -9.773  -7.080   1.874
  452    H    ASP  62           HN       ASP  62  -8.525 -12.243   4.128
  453    HA   ASP  62           HA       ASP  62  -5.745 -12.294   4.233
  454    HB2  ASP  62           HB2      ASP  62  -7.624 -14.666   4.194
  455    HB3  ASP  62           HB1      ASP  62  -5.976 -14.660   4.810
  456    H    ASP  63           HN       ASP  63  -7.951 -13.604   1.805
  457    HA   ASP  63           HA       ASP  63  -5.799 -14.956   0.405
  458    HB2  ASP  63           HB2      ASP  63  -8.720 -14.606  -0.278
  459    HB3  ASP  63           HB1      ASP  63  -7.587 -15.576  -1.212
  460    H    VAL  64           HN       VAL  64  -7.900 -12.165  -0.133
  461    HA   VAL  64           HA       VAL  64  -7.025 -11.732  -2.810
  462    HB   VAL  64           HB       VAL  64  -8.420  -9.749  -1.006
  463   HG11  VAL  64          HG11      VAL  64  -7.490  -8.764  -3.041
  464   HG12  VAL  64          HG12      VAL  64  -9.252  -8.785  -3.096
  465   HG13  VAL  64          HG13      VAL  64  -8.326  -9.973  -4.014
  466   HG21  VAL  64          HG21      VAL  64  -9.613 -11.820  -2.845
  467   HG22  VAL  64          HG22      VAL  64 -10.512 -10.594  -1.953
  468   HG23  VAL  64          HG23      VAL  64  -9.648 -11.863  -1.083
  469    H    ALA  65           HN       ALA  65  -5.660 -11.008   0.214
  470    HA   ALA  65           HA       ALA  65  -4.177  -8.696  -0.366
  471    HB1  ALA  65           HB1      ALA  65  -3.376 -10.997   1.406
  472    HB2  ALA  65           HB2      ALA  65  -4.400  -9.644   1.889
  473    HB3  ALA  65           HB3      ALA  65  -2.714  -9.362   1.449
  474    H    GLY  66           HN       GLY  66  -3.647 -12.055  -1.137
  475    HA2  GLY  66           HA2      GLY  66  -0.977 -11.488  -2.203
  476    HA3  GLY  66           HA1      GLY  66  -1.679 -13.081  -1.965
  477    H    ARG  67           HN       ARG  67  -2.838 -10.196  -3.698
  478    HA   ARG  67           HA       ARG  67  -2.819 -11.765  -6.190
  479    HB2  ARG  67           HB2      ARG  67  -5.126 -10.161  -5.071
  480    HB3  ARG  67           HB1      ARG  67  -5.042 -10.676  -6.748
  481    HG2  ARG  67           HG2      ARG  67  -5.049 -12.513  -4.359
  482    HG3  ARG  67           HG1      ARG  67  -6.443 -12.147  -5.376
  483    HD2  ARG  67           HD2      ARG  67  -3.886 -13.456  -6.302
  484    HD3  ARG  67           HD1      ARG  67  -5.406 -14.287  -5.982
  485    HE   ARG  67           HE       ARG  67  -5.495 -12.156  -7.957
  486   HH11  ARG  67          HH11      ARG  67  -5.221 -15.591  -7.342
  487   HH12  ARG  67          HH12      ARG  67  -5.742 -16.044  -8.941
  488   HH21  ARG  67          HH21      ARG  67  -6.186 -12.736 -10.039
  489   HH22  ARG  67          HH22      ARG  67  -6.305 -14.413 -10.481
  490    H    VAL  68           HN       VAL  68  -1.339  -9.408  -4.856
  491    HA   VAL  68           HA       VAL  68  -1.338  -7.712  -7.245
  492    HB   VAL  68           HB       VAL  68  -1.151  -5.668  -5.886
  493   HG11  VAL  68          HG11      VAL  68  -3.488  -5.510  -5.163
  494   HG12  VAL  68          HG12      VAL  68  -3.640  -7.260  -5.293
  495   HG13  VAL  68          HG13      VAL  68  -3.341  -6.291  -6.737
  496   HG21  VAL  68          HG21      VAL  68  -0.241  -6.654  -3.841
  497   HG22  VAL  68          HG22      VAL  68  -1.789  -7.444  -3.529
  498   HG23  VAL  68          HG23      VAL  68  -1.675  -5.684  -3.502
  499    H    ASP  69           HN       ASP  69   0.677  -6.672  -7.660
  500    HA   ASP  69           HA       ASP  69   2.865  -7.408  -5.844
  501    HB2  ASP  69           HB2      ASP  69   4.290  -8.105  -7.657
  502    HB3  ASP  69           HB1      ASP  69   2.812  -9.046  -7.700
  503    H    THR  70           HN       THR  70   1.268  -5.040  -7.521
  504    HA   THR  70           HA       THR  70   3.591  -3.245  -7.258
  505    HB   THR  70           HB       THR  70   2.646  -1.875  -9.104
  506    HG1  THR  70           HG1      THR  70   0.854  -4.092  -9.311
  507   HG21  THR  70          HG21      THR  70   3.302  -3.384 -10.937
  508   HG22  THR  70          HG22      THR  70   3.284  -4.743  -9.809
  509   HG23  THR  70          HG23      THR  70   4.442  -3.428  -9.593
  510    HA   PRO  71           HA       PRO  71   1.188  -0.749  -4.463
  511    HB2  PRO  71           HB2      PRO  71   2.316   1.543  -5.994
  512    HB3  PRO  71           HB1      PRO  71   2.350   1.229  -4.257
  513    HG2  PRO  71           HG2      PRO  71   4.535   0.874  -5.725
  514    HG3  PRO  71           HG1      PRO  71   4.122  -0.266  -4.428
  515    HD2  PRO  71           HD2      PRO  71   3.802  -0.562  -7.390
  516    HD3  PRO  71           HD1      PRO  71   4.297  -1.768  -6.182
  517    H    ARG  72           HN       ARG  72   1.216   0.025  -7.896
  518    HA   ARG  72           HA       ARG  72  -0.947   1.754  -8.070
  519    HB2  ARG  72           HB2      ARG  72   0.756   0.767  -9.864
  520    HB3  ARG  72           HB1      ARG  72  -0.585  -0.318 -10.191
  521    HG2  ARG  72           HG2      ARG  72  -0.784   2.684 -10.258
  522    HG3  ARG  72           HG1      ARG  72  -0.472   1.674 -11.670
  523    HD2  ARG  72           HD2      ARG  72  -2.614   0.557 -11.354
  524    HD3  ARG  72           HD1      ARG  72  -2.913   1.517  -9.902
  525    HE   ARG  72           HE       ARG  72  -2.411   3.131 -12.223
  526   HH11  ARG  72          HH11      ARG  72  -4.876   1.333 -10.499
  527   HH12  ARG  72          HH12      ARG  72  -6.194   2.256 -11.139
  528   HH21  ARG  72          HH21      ARG  72  -4.138   4.348 -13.083
  529   HH22  ARG  72          HH22      ARG  72  -5.776   3.979 -12.627
  530    H    GLU  73           HN       GLU  73  -0.898  -1.792  -8.142
  531    HA   GLU  73           HA       GLU  73  -3.669  -2.148  -8.578
  532    HB2  GLU  73           HB2      GLU  73  -1.666  -3.993  -7.263
  533    HB3  GLU  73           HB1      GLU  73  -3.259  -4.463  -7.838
  534    HG2  GLU  73           HG2      GLU  73  -2.646  -4.073 -10.101
  535    HG3  GLU  73           HG1      GLU  73  -1.127  -3.318  -9.617
  536    H    LEU  74           HN       LEU  74  -1.692  -2.222  -5.642
  537    HA   LEU  74           HA       LEU  74  -3.660  -2.884  -3.785
  538    HB2  LEU  74           HB2      LEU  74  -1.071  -2.637  -3.586
  539    HB3  LEU  74           HB1      LEU  74  -1.427  -0.978  -3.160
  540    HG   LEU  74           HG       LEU  74  -2.478  -3.379  -1.647
  541   HD11  LEU  74          HD11      LEU  74  -0.050  -3.245  -1.492
  542   HD12  LEU  74          HD12      LEU  74  -0.800  -2.795   0.040
  543   HD13  LEU  74          HD13      LEU  74  -0.160  -1.546  -1.027
  544   HD21  LEU  74          HD21      LEU  74  -3.859  -1.369  -1.428
  545   HD22  LEU  74          HD22      LEU  74  -2.436  -0.440  -0.954
  546   HD23  LEU  74          HD23      LEU  74  -3.021  -1.743   0.080
  547    H    LEU  75           HN       LEU  75  -2.478   0.317  -4.756
  548    HA   LEU  75           HA       LEU  75  -4.150   1.849  -3.117
  549    HB2  LEU  75           HB2      LEU  75  -2.063   2.446  -4.580
  550    HB3  LEU  75           HB1      LEU  75  -3.250   2.791  -5.816
  551    HG   LEU  75           HG       LEU  75  -3.379   4.108  -3.116
  552   HD11  LEU  75          HD11      LEU  75  -2.181   6.004  -4.136
  553   HD12  LEU  75          HD12      LEU  75  -1.856   5.008  -5.555
  554   HD13  LEU  75          HD13      LEU  75  -1.173   4.567  -3.991
  555   HD21  LEU  75          HD21      LEU  75  -4.596   5.820  -4.322
  556   HD22  LEU  75          HD22      LEU  75  -5.364   4.247  -4.544
  557   HD23  LEU  75          HD23      LEU  75  -4.378   4.935  -5.834
  558    H    ASP  76           HN       ASP  76  -4.589   0.697  -6.431
  559    HA   ASP  76           HA       ASP  76  -6.988   2.083  -6.980
  560    HB2  ASP  76           HB2      ASP  76  -5.546   1.147  -8.721
  561    HB3  ASP  76           HB1      ASP  76  -5.906  -0.482  -8.161
  562    H    LEU  77           HN       LEU  77  -6.370  -1.162  -5.736
  563    HA   LEU  77           HA       LEU  77  -8.965  -2.167  -6.007
  564    HB2  LEU  77           HB2      LEU  77  -7.001  -3.581  -5.674
  565    HB3  LEU  77           HB1      LEU  77  -6.812  -2.957  -4.046
  566    HG   LEU  77           HG       LEU  77  -8.980  -3.970  -3.424
  567   HD11  LEU  77          HD11      LEU  77 -10.024  -3.945  -5.640
  568   HD12  LEU  77          HD12      LEU  77 -10.059  -5.555  -4.924
  569   HD13  LEU  77          HD13      LEU  77  -8.887  -5.176  -6.187
  570   HD21  LEU  77          HD21      LEU  77  -8.205  -6.296  -3.446
  571   HD22  LEU  77          HD22      LEU  77  -6.909  -5.177  -3.021
  572   HD23  LEU  77          HD23      LEU  77  -6.981  -5.869  -4.642
  573    H    ILE  78           HN       ILE  78  -7.389  -0.671  -3.180
  574    HA   ILE  78           HA       ILE  78  -9.639  -1.071  -1.487
  575    HB   ILE  78           HB       ILE  78  -7.392   0.919  -1.120
  576   HG12  ILE  78          HG12      ILE  78  -7.672  -1.957  -0.219
  577   HG13  ILE  78          HG11      ILE  78  -6.514  -1.341  -1.394
  578   HG21  ILE  78          HG21      ILE  78  -9.267  -0.317   0.897
  579   HG22  ILE  78          HG22      ILE  78  -9.354   1.340   0.299
  580   HG23  ILE  78          HG23      ILE  78  -7.961   0.816   1.244
  581   HD11  ILE  78          HD11      ILE  78  -5.414  -0.053   0.345
  582   HD12  ILE  78          HD12      ILE  78  -5.482  -1.764   0.776
  583   HD13  ILE  78          HD13      ILE  78  -6.594  -0.618   1.526
  584    H    ASN  79           HN       ASN  79  -8.737   1.429  -3.728
  585    HA   ASN  79           HA       ASN  79 -10.525   3.430  -2.787
  586    HB2  ASN  79           HB2      ASN  79  -8.905   3.018  -5.236
  587    HB3  ASN  79           HB1      ASN  79 -10.309   4.066  -5.398
  588   HD21  ASN  79          HD21      ASN  79  -7.239   3.614  -3.840
  589   HD22  ASN  79          HD22      ASN  79  -7.042   5.256  -3.323
  590    H    GLY  80           HN       GLY  80 -10.820   0.758  -5.059
  591    HA2  GLY  80           HA2      GLY  80 -13.280   1.431  -6.222
  592    HA3  GLY  80           HA1      GLY  80 -12.653  -0.204  -6.049
  593    H    ALA  81           HN       ALA  81 -12.545  -0.229  -3.193
  594    HA   ALA  81           HA       ALA  81 -15.247  -1.005  -2.689
  595    HB1  ALA  81           HB1      ALA  81 -13.404  -2.262  -1.743
  596    HB2  ALA  81           HB2      ALA  81 -14.428  -1.622  -0.457
  597    HB3  ALA  81           HB3      ALA  81 -12.886  -0.849  -0.823
  598    H    LEU  82           HN       LEU  82 -13.189   1.662  -1.628
  599    HA   LEU  82           HA       LEU  82 -15.002   2.756   0.244
  600    HB2  LEU  82           HB2      LEU  82 -12.778   4.058  -1.325
  601    HB3  LEU  82           HB1      LEU  82 -13.635   4.825  -0.002
  602    HG   LEU  82           HG       LEU  82 -11.980   2.314   0.243
  603   HD11  LEU  82          HD11      LEU  82 -10.611   4.283  -0.240
  604   HD12  LEU  82          HD12      LEU  82 -10.377   3.716   1.413
  605   HD13  LEU  82          HD13      LEU  82 -11.371   5.139   1.100
  606   HD21  LEU  82          HD21      LEU  82 -13.274   4.051   2.346
  607   HD22  LEU  82          HD22      LEU  82 -12.268   2.633   2.641
  608   HD23  LEU  82          HD23      LEU  82 -13.833   2.452   1.849
  609    H    ALA  83           HN       ALA  83 -14.572   3.166  -3.205
  610    HA   ALA  83           HA       ALA  83 -16.179   5.488  -3.484
  611    HB1  ALA  83           HB1      ALA  83 -14.494   4.788  -5.142
  612    HB2  ALA  83           HB2      ALA  83 -16.078   5.076  -5.863
  613    HB3  ALA  83           HB3      ALA  83 -15.522   3.426  -5.586
  614    H    GLU  84           HN       GLU  84 -17.082   2.365  -2.687
  615    HA   GLU  84           HA       GLU  84 -19.654   2.511  -4.050
  616    HB2  GLU  84           HB2      GLU  84 -18.524   0.375  -2.241
  617    HB3  GLU  84           HB1      GLU  84 -20.068   0.280  -3.073
  618    HG2  GLU  84           HG2      GLU  84 -18.773   0.540  -5.223
  619    HG3  GLU  84           HG1      GLU  84 -17.317   0.279  -4.261
  620    H    ALA  85           HN       ALA  85 -18.314   2.760  -0.806
  621    HA   ALA  85           HA       ALA  85 -21.024   3.361   0.179
  622    HB1  ALA  85           HB1      ALA  85 -20.468   2.274   2.283
  623    HB2  ALA  85           HB2      ALA  85 -18.870   1.865   1.659
  624    HB3  ALA  85           HB3      ALA  85 -20.309   1.148   0.933
  625    H    ALA  86           HN       ALA  86 -20.648   5.587  -0.056
  626    HA   ALA  86           HA       ALA  86 -19.627   6.860   2.250
  627    HB1  ALA  86           HB1      ALA  86 -18.000   7.248  -0.261
  628    HB2  ALA  86           HB2      ALA  86 -17.470   6.393   1.187
  629    HB3  ALA  86           HB3      ALA  86 -17.795   8.127   1.252
  630    H28  SXO  87          H28B      SXO  87   5.971 -11.512   6.511
  631   H28A  SXO  87          H28A      SXO  87   7.031 -12.636   7.364
  632    H30  SXO  87          H30A      SXO  87   5.486 -12.052   9.316
  633   H30A  SXO  87          H30C      SXO  87   4.458 -11.133   8.216
  634   H30B  SXO  87          H30B      SXO  87   3.768 -12.430   9.192
  635    H31  SXO  87          H31A      SXO  87   2.902 -13.664   7.142
  636   H31A  SXO  87          H31B      SXO  87   3.981 -13.863   5.762
  637   H31B  SXO  87          H31C      SXO  87   3.447 -12.251   6.239
  638    H32  SXO  87          H32A      SXO  87   5.916 -14.345   9.007
  639   HO33  SXO  87          H33A      SXO  87   6.135 -14.758   6.360
  640   HN36  SXO  87          H36A      SXO  87   3.518 -13.866   9.832
  641    H37  SXO  87          H37A      SXO  87   2.101 -16.429   9.778
  642   H37A  SXO  87          H37B      SXO  87   1.947 -15.179  11.011
  643    H38  SXO  87          H38B      SXO  87  -0.058 -15.419   9.570
  644   H38A  SXO  87          H38A      SXO  87   0.921 -14.953   8.185
  645   HN41  SXO  87          H41A      SXO  87  -0.774 -13.355   8.016
  646    H42  SXO  87          H42A      SXO  87  -1.545 -11.326   9.594
  647   H42A  SXO  87          H42B      SXO  87   0.062 -10.812   9.082
  648    H43  SXO  87          H43B      SXO  87  -2.243 -11.496   7.260
  649   H43A  SXO  87          H43A      SXO  87  -1.628  -9.870   7.608
  650    H2   SXO  87           H2A      SXO  87  -1.147 -10.111   2.841
  651    H2A  SXO  87           H2B      SXO  87  -0.080 -11.422   3.343
  652    H3   SXO  87           H3B      SXO  87   0.365  -8.500   3.924
  653    H3A  SXO  87           H3A      SXO  87   1.446  -9.826   4.345
  654    H4   SXO  87           H4A      SXO  87   1.759 -10.328   1.973
  655    H4A  SXO  87           H4B      SXO  87   2.218  -8.664   2.339
  656    H5   SXO  87           H5B      SXO  87   0.945  -8.802   0.254
  657    H5A  SXO  87           H5A      SXO  87  -0.399  -9.547   1.118
  658    H6   SXO  87           H6A      SXO  87   0.701  -6.785   1.638
  659    H6A  SXO  87           H6B      SXO  87  -0.675  -7.526   2.455
  660    H7   SXO  87           H7A      SXO  87  -1.877  -7.643   0.322
  661    H7A  SXO  87           H7B      SXO  87  -0.491  -6.899  -0.494
  662    H8   SXO  87           H8C      SXO  87  -2.228  -5.252   0.017
  663    H8A  SXO  87           H8A      SXO  87  -0.742  -4.917   0.907
  664    H8B  SXO  87           H8B      SXO  87  -2.111  -5.667   1.728
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -14.777  15.131   5.081
    2    H2   MET   1           HT2      MET   1 -16.309  14.422   5.234
    3    H3   MET   1           HT3      MET   1 -16.171  16.046   4.758
    4    HA   MET   1           HA       MET   1 -16.693  14.685   2.871
    5    HB2  MET   1           HB2      MET   1 -13.836  15.682   2.899
    6    HB3  MET   1           HB1      MET   1 -14.710  15.226   1.444
    7    HG2  MET   1           HG2      MET   1 -15.496  17.439   3.333
    8    HG3  MET   1           HG1      MET   1 -14.655  17.650   1.796
    9    HE1  MET   1           HE1      MET   1 -17.367  16.550  -0.798
   10    HE2  MET   1           HE2      MET   1 -16.063  15.578  -0.113
   11    HE3  MET   1           HE3      MET   1 -15.764  17.251  -0.580
   12    H    ALA   2           HN       ALA   2 -16.561  12.757   1.858
   13    HA   ALA   2           HA       ALA   2 -15.033  10.657   3.073
   14    HB1  ALA   2           HB1      ALA   2 -16.078   9.208   1.407
   15    HB2  ALA   2           HB2      ALA   2 -16.707  10.621   0.560
   16    HB3  ALA   2           HB3      ALA   2 -17.276  10.241   2.185
   17    H    THR   3           HN       THR   3 -12.919  10.624   2.761
   18    HA   THR   3           HA       THR   3 -11.851  11.310   0.125
   19    HB   THR   3           HB       THR   3  -9.653  11.199   1.665
   20    HG1  THR   3           HG1      THR   3 -11.599  12.225   3.463
   21   HG21  THR   3          HG21      THR   3  -9.860  13.630   1.947
   22   HG22  THR   3          HG22      THR   3 -11.576  13.527   1.553
   23   HG23  THR   3          HG23      THR   3 -10.365  13.125   0.335
   24    H    LEU   4           HN       LEU   4 -11.050   9.768  -1.137
   25    HA   LEU   4           HA       LEU   4 -10.919   7.043  -0.209
   26    HB2  LEU   4           HB2      LEU   4 -10.118   8.204  -2.880
   27    HB3  LEU   4           HB1      LEU   4 -10.319   6.502  -2.515
   28    HG   LEU   4           HG       LEU   4 -12.518   8.574  -2.547
   29   HD11  LEU   4          HD11      LEU   4 -11.692   7.970  -4.771
   30   HD12  LEU   4          HD12      LEU   4 -13.327   7.371  -4.494
   31   HD13  LEU   4          HD13      LEU   4 -11.956   6.267  -4.403
   32   HD21  LEU   4          HD21      LEU   4 -14.021   6.655  -2.264
   33   HD22  LEU   4          HD22      LEU   4 -12.976   6.898  -0.866
   34   HD23  LEU   4          HD23      LEU   4 -12.625   5.608  -2.019
   35    H    LEU   5           HN       LEU   5  -8.841   5.868  -1.354
   36    HA   LEU   5           HA       LEU   5  -6.644   6.727   0.295
   37    HB2  LEU   5           HB2      LEU   5  -7.321   4.327  -0.152
   38    HB3  LEU   5           HB1      LEU   5  -6.682   4.520  -1.769
   39    HG   LEU   5           HG       LEU   5  -4.943   4.973   0.642
   40   HD11  LEU   5          HD11      LEU   5  -4.232   2.651   0.485
   41   HD12  LEU   5          HD12      LEU   5  -5.429   2.360  -0.778
   42   HD13  LEU   5          HD13      LEU   5  -5.952   2.755   0.858
   43   HD21  LEU   5          HD21      LEU   5  -4.083   5.735  -1.512
   44   HD22  LEU   5          HD22      LEU   5  -4.364   4.135  -2.199
   45   HD23  LEU   5          HD23      LEU   5  -3.165   4.349  -0.924
   46    H    THR   6           HN       THR   6  -5.051   8.036  -0.310
   47    HA   THR   6           HA       THR   6  -5.005   8.879  -3.115
   48    HB   THR   6           HB       THR   6  -3.927  10.901  -2.385
   49    HG1  THR   6           HG1      THR   6  -3.993  10.509   0.319
   50   HG21  THR   6          HG21      THR   6  -5.596  11.831  -0.855
   51   HG22  THR   6          HG22      THR   6  -6.148  10.203  -0.462
   52   HG23  THR   6          HG23      THR   6  -6.358  10.834  -2.096
   53    H    THR   7           HN       THR   7  -2.887   9.473  -4.033
   54    HA   THR   7           HA       THR   7  -1.005   7.435  -4.050
   55    HB   THR   7           HB       THR   7   0.506   9.296  -5.039
   56    HG1  THR   7           HG1      THR   7  -0.328  11.200  -4.469
   57   HG21  THR   7          HG21      THR   7  -0.744   7.708  -6.419
   58   HG22  THR   7          HG22      THR   7  -0.773   9.319  -7.138
   59   HG23  THR   7          HG23      THR   7  -2.187   8.711  -6.277
   60    H    ASP   8           HN       ASP   8  -0.955  10.547  -2.361
   61    HA   ASP   8           HA       ASP   8   1.633  10.244  -1.276
   62    HB2  ASP   8           HB2      ASP   8  -0.666  12.054  -0.557
   63    HB3  ASP   8           HB1      ASP   8   0.903  12.141   0.238
   64    H    ASP   9           HN       ASP   9  -1.610   9.689   0.085
   65    HA   ASP   9           HA       ASP   9  -0.736   9.023   2.677
   66    HB2  ASP   9           HB2      ASP   9  -3.218   8.425   1.126
   67    HB3  ASP   9           HB1      ASP   9  -2.929   7.584   2.645
   68    H    LEU  10           HN       LEU  10  -1.148   7.058  -0.219
   69    HA   LEU  10           HA       LEU  10  -0.512   4.578   0.976
   70    HB2  LEU  10           HB2      LEU  10  -1.520   4.813  -1.265
   71    HB3  LEU  10           HB1      LEU  10  -0.029   5.526  -1.853
   72    HG   LEU  10           HG       LEU  10   1.148   3.399  -1.390
   73   HD11  LEU  10          HD11      LEU  10  -0.116   1.392  -0.871
   74   HD12  LEU  10          HD12      LEU  10  -1.604   2.334  -0.776
   75   HD13  LEU  10          HD13      LEU  10  -0.321   2.595   0.404
   76   HD21  LEU  10          HD21      LEU  10  -1.282   3.148  -3.160
   77   HD22  LEU  10          HD22      LEU  10   0.157   2.131  -3.233
   78   HD23  LEU  10          HD23      LEU  10   0.273   3.849  -3.617
   79    H    ARG  11           HN       ARG  11   1.481   6.937  -0.780
   80    HA   ARG  11           HA       ARG  11   3.922   5.626  -0.626
   81    HB2  ARG  11           HB2      ARG  11   3.589   7.525  -2.084
   82    HB3  ARG  11           HB1      ARG  11   3.339   8.588  -0.706
   83    HG2  ARG  11           HG2      ARG  11   5.619   8.398  -0.046
   84    HG3  ARG  11           HG1      ARG  11   5.915   7.126  -1.231
   85    HD2  ARG  11           HD2      ARG  11   6.790   9.308  -1.958
   86    HD3  ARG  11           HD1      ARG  11   5.553   8.678  -3.048
   87    HE   ARG  11           HE       ARG  11   4.335  10.370  -1.159
   88   HH11  ARG  11          HH11      ARG  11   6.502  10.522  -3.895
   89   HH12  ARG  11          HH12      ARG  11   6.024  12.128  -4.359
   90   HH21  ARG  11          HH21      ARG  11   3.682  12.512  -1.776
   91   HH22  ARG  11          HH22      ARG  11   4.450  13.250  -3.143
   92    H    ARG  12           HN       ARG  12   2.553   7.999   1.659
   93    HA   ARG  12           HA       ARG  12   4.852   8.044   3.318
   94    HB2  ARG  12           HB2      ARG  12   3.415   9.167   4.979
   95    HB3  ARG  12           HB1      ARG  12   3.304   9.894   3.383
   96    HG2  ARG  12           HG2      ARG  12   1.181   8.939   2.997
   97    HG3  ARG  12           HG1      ARG  12   1.327   7.891   4.410
   98    HD2  ARG  12           HD2      ARG  12   1.371  10.885   4.642
   99    HD3  ARG  12           HD1      ARG  12  -0.139   9.979   4.625
  100    HE   ARG  12           HE       ARG  12   1.538   8.825   6.547
  101   HH11  ARG  12          HH11      ARG  12  -0.153  11.865   6.017
  102   HH12  ARG  12          HH12      ARG  12  -0.392  12.160   7.718
  103   HH21  ARG  12          HH21      ARG  12   1.264   9.238   8.762
  104   HH22  ARG  12          HH22      ARG  12   0.444  10.690   9.274
  105    H    ALA  13           HN       ALA  13   2.092   5.929   3.171
  106    HA   ALA  13           HA       ALA  13   2.154   4.927   5.794
  107    HB1  ALA  13           HB1      ALA  13   0.875   3.032   4.929
  108    HB2  ALA  13           HB2      ALA  13   1.261   3.519   3.277
  109    HB3  ALA  13           HB3      ALA  13   0.262   4.560   4.294
  110    H    LEU  14           HN       LEU  14   3.956   4.037   2.912
  111    HA   LEU  14           HA       LEU  14   5.126   1.666   3.897
  112    HB2  LEU  14           HB2      LEU  14   5.902   3.629   1.763
  113    HB3  LEU  14           HB1      LEU  14   6.997   2.337   2.209
  114    HG   LEU  14           HG       LEU  14   5.782   1.675   0.255
  115   HD11  LEU  14          HD11      LEU  14   4.650  -0.366   1.082
  116   HD12  LEU  14          HD12      LEU  14   4.798   0.265   2.722
  117   HD13  LEU  14          HD13      LEU  14   6.244  -0.104   1.784
  118   HD21  LEU  14          HD21      LEU  14   3.264   2.192   1.824
  119   HD22  LEU  14          HD22      LEU  14   3.352   1.482   0.211
  120   HD23  LEU  14          HD23      LEU  14   3.862   3.150   0.471
  121    H    VAL  15           HN       VAL  15   6.135   5.046   4.025
  122    HA   VAL  15           HA       VAL  15   8.667   4.512   5.216
  123    HB   VAL  15           HB       VAL  15   7.134   7.118   5.230
  124   HG11  VAL  15          HG11      VAL  15  10.085   6.556   5.509
  125   HG12  VAL  15          HG12      VAL  15   8.996   7.040   6.808
  126   HG13  VAL  15          HG13      VAL  15   9.331   8.151   5.479
  127   HG21  VAL  15          HG21      VAL  15   7.384   6.283   2.948
  128   HG22  VAL  15          HG22      VAL  15   9.120   6.093   3.201
  129   HG23  VAL  15          HG23      VAL  15   8.394   7.701   3.222
  130    H    GLU  16           HN       GLU  16   5.464   5.230   6.445
  131    HA   GLU  16           HA       GLU  16   6.258   5.874   9.085
  132    HB2  GLU  16           HB2      GLU  16   3.612   4.896   8.010
  133    HB3  GLU  16           HB1      GLU  16   3.864   5.481   9.652
  134    HG2  GLU  16           HG2      GLU  16   4.563   7.651   8.763
  135    HG3  GLU  16           HG1      GLU  16   4.284   7.062   7.124
  136    H    SER  17           HN       SER  17   5.369   2.825   7.528
  137    HA   SER  17           HA       SER  17   5.694   1.368  10.000
  138    HB2  SER  17           HB2      SER  17   5.266   0.441   7.159
  139    HB3  SER  17           HB1      SER  17   5.400  -0.650   8.541
  140    HG   SER  17           HG       SER  17   3.286  -0.320   8.457
  141    H    ALA  18           HN       ALA  18   7.726   2.475   7.492
  142    HA   ALA  18           HA       ALA  18   9.792   0.509   7.799
  143    HB1  ALA  18           HB1      ALA  18  11.139   1.997   6.420
  144    HB2  ALA  18           HB2      ALA  18   9.925   3.265   6.583
  145    HB3  ALA  18           HB3      ALA  18   9.533   1.776   5.721
  146    H    GLY  19           HN       GLY  19   9.237   3.802   9.000
  147    HA2  GLY  19           HA2      GLY  19   9.960   4.752  10.985
  148    HA3  GLY  19           HA1      GLY  19  10.754   3.232  11.378
  149    H    GLU  20           HN       GLU  20  11.062   5.824   8.976
  150    HA   GLU  20           HA       GLU  20  12.798   7.077   8.259
  151    HB2  GLU  20           HB2      GLU  20  14.124   6.076  10.781
  152    HB3  GLU  20           HB1      GLU  20  14.871   7.229   9.682
  153    HG2  GLU  20           HG2      GLU  20  13.062   8.797  10.060
  154    HG3  GLU  20           HG1      GLU  20  12.252   7.637  11.114
  155    H    THR  21           HN       THR  21  14.170   6.787   6.660
  156    HA   THR  21           HA       THR  21  15.651   4.264   6.499
  157    HB   THR  21           HB       THR  21  15.210   4.355   3.987
  158    HG1  THR  21           HG1      THR  21  14.309   6.322   3.639
  159   HG21  THR  21          HG21      THR  21  14.139   2.688   5.406
  160   HG22  THR  21          HG22      THR  21  13.007   3.262   4.179
  161   HG23  THR  21          HG23      THR  21  12.881   3.842   5.841
  162    H    ASP  22           HN       ASP  22  17.081   4.610   4.265
  163    HA   ASP  22           HA       ASP  22  18.410   7.211   4.627
  164    HB2  ASP  22           HB2      ASP  22  20.557   6.142   4.252
  165    HB3  ASP  22           HB1      ASP  22  19.722   5.334   5.573
  166    H    GLY  23           HN       GLY  23  18.031   4.508   2.301
  167    HA2  GLY  23           HA2      GLY  23  18.227   6.535   0.158
  168    HA3  GLY  23           HA1      GLY  23  18.812   4.887  -0.004
  169    H    THR  24           HN       THR  24  16.004   4.686   1.699
  170    HA   THR  24           HA       THR  24  14.553   3.692  -0.561
  171    HB   THR  24           HB       THR  24  13.460   4.149   2.221
  172    HG1  THR  24           HG1      THR  24  14.265   1.612   1.702
  173   HG21  THR  24          HG21      THR  24  11.804   3.591   0.486
  174   HG22  THR  24          HG22      THR  24  11.979   2.284   1.657
  175   HG23  THR  24          HG23      THR  24  12.733   2.151   0.068
  176    H    ASP  25           HN       ASP  25  14.560   5.696  -1.792
  177    HA   ASP  25           HA       ASP  25  12.671   7.725  -0.850
  178    HB2  ASP  25           HB2      ASP  25  14.851   8.533  -1.644
  179    HB3  ASP  25           HB1      ASP  25  14.584   7.750  -3.198
  180    H    LEU  26           HN       LEU  26  10.690   7.915  -1.702
  181    HA   LEU  26           HA       LEU  26  10.021   6.122  -3.942
  182    HB2  LEU  26           HB2      LEU  26   8.272   7.109  -1.682
  183    HB3  LEU  26           HB1      LEU  26   7.728   6.097  -3.008
  184    HG   LEU  26           HG       LEU  26   9.792   5.298  -0.945
  185   HD11  LEU  26          HD11      LEU  26   8.065   3.816  -0.088
  186   HD12  LEU  26          HD12      LEU  26   6.924   4.431  -1.283
  187   HD13  LEU  26          HD13      LEU  26   7.531   5.496  -0.016
  188   HD21  LEU  26          HD21      LEU  26   9.569   3.069  -1.923
  189   HD22  LEU  26          HD22      LEU  26  10.150   4.228  -3.118
  190   HD23  LEU  26          HD23      LEU  26   8.465   3.707  -3.142
  191    H    SER  27           HN       SER  27  10.921   9.038  -3.888
  192    HA   SER  27           HA       SER  27   8.635  10.431  -4.959
  193    HB2  SER  27           HB2      SER  27  10.463  11.627  -3.749
  194    HB3  SER  27           HB1      SER  27  11.555  11.235  -5.078
  195    HG   SER  27           HG       SER  27  10.247  13.366  -4.998
  196    H    GLY  28           HN       GLY  28   7.865   9.491  -6.739
  197    HA2  GLY  28           HA2      GLY  28   8.639   9.987  -9.241
  198    HA3  GLY  28           HA1      GLY  28   9.620   8.577  -8.861
  199    H    ASP  29           HN       ASP  29   8.573   7.270 -10.382
  200    HA   ASP  29           HA       ASP  29   5.709   6.866 -10.114
  201    HB2  ASP  29           HB2      ASP  29   7.712   5.565 -11.981
  202    HB3  ASP  29           HB1      ASP  29   5.975   5.279 -12.013
  203    H    PHE  30           HN       PHE  30   6.116   6.174  -7.834
  204    HA   PHE  30           HA       PHE  30   7.355   3.646  -7.367
  205    HB2  PHE  30           HB2      PHE  30   6.492   3.838  -5.089
  206    HB3  PHE  30           HB1      PHE  30   7.225   5.351  -5.599
  207    HD1  PHE  30           HD2      PHE  30   5.727   7.261  -6.274
  208    HD2  PHE  30           HD1      PHE  30   4.239   3.743  -4.385
  209    HE1  PHE  30           HE2      PHE  30   3.665   8.459  -5.664
  210    HE2  PHE  30           HE1      PHE  30   2.177   4.940  -3.780
  211    HZ   PHE  30           HZ       PHE  30   1.900   7.301  -4.385
  212    H    LEU  31           HN       LEU  31   4.122   4.732  -8.078
  213    HA   LEU  31           HA       LEU  31   2.638   2.463  -7.399
  214    HB2  LEU  31           HB2      LEU  31   2.240   4.445  -9.637
  215    HB3  LEU  31           HB1      LEU  31   1.042   3.267  -9.136
  216    HG   LEU  31           HG       LEU  31   2.148   5.440  -7.349
  217   HD11  LEU  31          HD11      LEU  31   0.846   6.376  -9.193
  218   HD12  LEU  31          HD12      LEU  31  -0.009   6.537  -7.657
  219   HD13  LEU  31          HD13      LEU  31  -0.488   5.290  -8.808
  220   HD21  LEU  31          HD21      LEU  31  -0.179   3.551  -6.989
  221   HD22  LEU  31          HD22      LEU  31   0.282   4.851  -5.889
  222   HD23  LEU  31          HD23      LEU  31   1.360   3.477  -6.131
  223    H    ASP  32           HN       ASP  32   4.940   2.895  -9.902
  224    HA   ASP  32           HA       ASP  32   3.864   0.711 -11.524
  225    HB2  ASP  32           HB2      ASP  32   4.667   2.820 -12.602
  226    HB3  ASP  32           HB1      ASP  32   6.284   2.472 -12.004
  227    H    LEU  33           HN       LEU  33   6.172   1.289  -9.090
  228    HA   LEU  33           HA       LEU  33   7.901  -0.926  -9.849
  229    HB2  LEU  33           HB2      LEU  33   8.052   0.974  -7.508
  230    HB3  LEU  33           HB1      LEU  33   9.268  -0.217  -7.927
  231    HG   LEU  33           HG       LEU  33   8.483   2.139  -9.648
  232   HD11  LEU  33          HD11      LEU  33  10.681   3.023  -9.054
  233   HD12  LEU  33          HD12      LEU  33  10.942   1.658  -7.969
  234   HD13  LEU  33          HD13      LEU  33   9.665   2.827  -7.626
  235   HD21  LEU  33          HD21      LEU  33  10.423   1.511 -10.986
  236   HD22  LEU  33          HD22      LEU  33   9.231   0.212 -10.945
  237   HD23  LEU  33          HD23      LEU  33  10.685   0.106  -9.954
  238    H    ARG  34           HN       ARG  34   7.817  -2.911  -8.960
  239    HA   ARG  34           HA       ARG  34   5.672  -3.670  -7.273
  240    HB2  ARG  34           HB2      ARG  34   8.212  -5.080  -8.055
  241    HB3  ARG  34           HB1      ARG  34   6.987  -5.822  -7.040
  242    HG2  ARG  34           HG2      ARG  34   5.361  -5.649  -8.823
  243    HG3  ARG  34           HG1      ARG  34   6.545  -4.825  -9.842
  244    HD2  ARG  34           HD2      ARG  34   7.924  -6.757  -9.953
  245    HD3  ARG  34           HD1      ARG  34   6.996  -7.568  -8.694
  246    HE   ARG  34           HE       ARG  34   5.101  -7.471 -10.395
  247   HH11  ARG  34          HH11      ARG  34   8.502  -7.757 -11.244
  248   HH12  ARG  34          HH12      ARG  34   8.193  -8.619 -12.724
  249   HH21  ARG  34          HH21      ARG  34   4.701  -8.634 -12.336
  250   HH22  ARG  34          HH22      ARG  34   6.037  -9.108 -13.348
  251    H    PHE  35           HN       PHE  35   5.583  -4.167  -5.102
  252    HA   PHE  35           HA       PHE  35   7.069  -2.711  -3.274
  253    HB2  PHE  35           HB2      PHE  35   5.586  -5.308  -2.850
  254    HB3  PHE  35           HB1      PHE  35   6.148  -4.257  -1.556
  255    HD1  PHE  35           HD2      PHE  35   5.249  -1.855  -1.523
  256    HD2  PHE  35           HD1      PHE  35   3.501  -4.994  -3.810
  257    HE1  PHE  35           HE2      PHE  35   3.153  -0.579  -1.674
  258    HE2  PHE  35           HE1      PHE  35   1.405  -3.717  -3.967
  259    HZ   PHE  35           HZ       PHE  35   1.199  -1.545  -2.816
  260    H    GLU  36           HN       GLU  36   7.534  -6.033  -4.364
  261    HA   GLU  36           HA       GLU  36   9.532  -6.898  -2.663
  262    HB2  GLU  36           HB2      GLU  36   9.295  -7.498  -5.617
  263    HB3  GLU  36           HB1      GLU  36  10.158  -8.464  -4.429
  264    HG2  GLU  36           HG2      GLU  36   7.211  -7.939  -4.280
  265    HG3  GLU  36           HG1      GLU  36   7.904  -9.312  -5.135
  266    H    ASP  37           HN       ASP  37   9.764  -4.704  -5.394
  267    HA   ASP  37           HA       ASP  37  12.655  -5.011  -5.521
  268    HB2  ASP  37           HB2      ASP  37  11.039  -4.774  -7.544
  269    HB3  ASP  37           HB1      ASP  37  11.083  -3.054  -7.166
  270    H    ILE  38           HN       ILE  38  10.285  -2.786  -4.289
  271    HA   ILE  38           HA       ILE  38  12.241  -0.661  -4.015
  272    HB   ILE  38           HB       ILE  38  10.385   0.615  -2.913
  273   HG12  ILE  38          HG12      ILE  38   8.708  -1.737  -3.815
  274   HG13  ILE  38          HG11      ILE  38   9.097  -1.358  -2.142
  275   HG21  ILE  38          HG21      ILE  38   9.817  -0.461  -5.674
  276   HG22  ILE  38          HG22      ILE  38  10.926   0.852  -5.281
  277   HG23  ILE  38          HG23      ILE  38   9.198   1.047  -4.993
  278   HD11  ILE  38          HD11      ILE  38   6.854  -0.634  -2.732
  279   HD12  ILE  38          HD12      ILE  38   7.511   0.388  -4.013
  280   HD13  ILE  38          HD13      ILE  38   7.882   0.737  -2.324
  281    H    GLY  39           HN       GLY  39  12.252  -3.325  -2.487
  282    HA2  GLY  39           HA2      GLY  39  13.510  -3.765  -0.583
  283    HA3  GLY  39           HA1      GLY  39  13.393  -2.069  -0.147
  284    H    TYR  40           HN       TYR  40  10.453  -3.727  -0.876
  285    HA   TYR  40           HA       TYR  40   9.941  -3.945   2.010
  286    HB2  TYR  40           HB2      TYR  40   8.070  -3.148  -0.215
  287    HB3  TYR  40           HB1      TYR  40   7.492  -3.661   1.373
  288    HD1  TYR  40           HD2      TYR  40   8.152  -2.356   3.397
  289    HD2  TYR  40           HD1      TYR  40   8.942  -0.965  -0.543
  290    HE1  TYR  40           HE2      TYR  40   8.527  -0.099   4.275
  291    HE2  TYR  40           HE1      TYR  40   9.325   1.299   0.323
  292    HH   TYR  40           HH       TYR  40   9.626   1.961   3.667
  293    H    ASP  41           HN       ASP  41  10.367  -5.966   2.417
  294    HA   ASP  41           HA       ASP  41   9.617  -8.121   0.660
  295    HB2  ASP  41           HB2      ASP  41  11.631  -7.866   2.392
  296    HB3  ASP  41           HB1      ASP  41  10.465  -8.612   3.479
  297    H    SER  42           HN       SER  42   8.625 -10.116   2.050
  298    HA   SER  42           HA       SER  42   5.904  -9.660   2.213
  299    HB2  SER  42           HB2      SER  42   5.856 -11.854   3.477
  300    HB3  SER  42           HB1      SER  42   6.757 -11.889   1.958
  301    H    LEU  43           HN       LEU  43   8.209  -9.869   4.895
  302    HA   LEU  43           HA       LEU  43   6.390  -9.520   6.993
  303    HB2  LEU  43           HB2      LEU  43   8.686 -10.327   7.290
  304    HB3  LEU  43           HB1      LEU  43   9.308  -8.747   6.851
  305    HG   LEU  43           HG       LEU  43   8.184  -7.800   8.856
  306   HD11  LEU  43          HD11      LEU  43   6.443  -9.493   9.125
  307   HD12  LEU  43          HD12      LEU  43   7.404  -9.329  10.595
  308   HD13  LEU  43          HD13      LEU  43   7.672 -10.697   9.515
  309   HD21  LEU  43          HD21      LEU  43  10.124 -10.048   9.374
  310   HD22  LEU  43          HD22      LEU  43   9.804  -8.688  10.451
  311   HD23  LEU  43          HD23      LEU  43  10.550  -8.411   8.876
  312    H    ALA  44           HN       ALA  44   8.434  -7.096   5.362
  313    HA   ALA  44           HA       ALA  44   7.505  -4.899   6.868
  314    HB1  ALA  44           HB1      ALA  44   8.668  -4.899   4.083
  315    HB2  ALA  44           HB2      ALA  44   9.598  -4.879   5.581
  316    HB3  ALA  44           HB3      ALA  44   8.556  -3.517   5.172
  317    H    LEU  45           HN       LEU  45   6.414  -6.381   3.879
  318    HA   LEU  45           HA       LEU  45   4.648  -4.352   3.060
  319    HB2  LEU  45           HB2      LEU  45   5.469  -6.200   1.633
  320    HB3  LEU  45           HB1      LEU  45   4.470  -7.320   2.538
  321    HG   LEU  45           HG       LEU  45   2.448  -6.137   1.750
  322   HD11  LEU  45          HD11      LEU  45   2.609  -4.440   0.029
  323   HD12  LEU  45          HD12      LEU  45   4.369  -4.534   0.069
  324   HD13  LEU  45          HD13      LEU  45   3.486  -3.926   1.469
  325   HD21  LEU  45          HD21      LEU  45   2.559  -6.872  -0.584
  326   HD22  LEU  45          HD22      LEU  45   3.284  -8.060   0.498
  327   HD23  LEU  45          HD23      LEU  45   4.315  -6.999  -0.459
  328    H    MET  46           HN       MET  46   4.071  -7.297   5.002
  329    HA   MET  46           HA       MET  46   1.273  -6.912   5.193
  330    HB2  MET  46           HB2      MET  46   1.280  -8.597   6.937
  331    HB3  MET  46           HB1      MET  46   2.354  -9.093   5.638
  332    HG2  MET  46           HG2      MET  46   4.284  -8.510   6.927
  333    HG3  MET  46           HG1      MET  46   3.280  -7.790   8.185
  334    HE1  MET  46           HE1      MET  46   1.533 -10.904   9.751
  335    HE2  MET  46           HE2      MET  46   0.907  -9.859   8.480
  336    HE3  MET  46           HE3      MET  46   1.773  -9.156   9.850
  337    H    GLU  47           HN       GLU  47   3.942  -5.848   7.257
  338    HA   GLU  47           HA       GLU  47   2.317  -4.864   9.355
  339    HB2  GLU  47           HB2      GLU  47   5.103  -4.027   8.526
  340    HB3  GLU  47           HB1      GLU  47   4.326  -3.589  10.041
  341    HG2  GLU  47           HG2      GLU  47   4.125  -6.072  10.494
  342    HG3  GLU  47           HG1      GLU  47   5.218  -6.301   9.129
  343    H    THR  48           HN       THR  48   3.369  -3.513   6.316
  344    HA   THR  48           HA       THR  48   2.669  -0.826   6.847
  345    HB   THR  48           HB       THR  48   2.775  -2.241   4.178
  346    HG1  THR  48           HG1      THR  48   4.774  -2.425   5.191
  347   HG21  THR  48          HG21      THR  48   1.637  -0.048   4.113
  348   HG22  THR  48          HG22      THR  48   3.174  -0.017   3.252
  349   HG23  THR  48          HG23      THR  48   3.051   0.697   4.860
  350    H    ALA  49           HN       ALA  49   0.790  -3.616   6.002
  351    HA   ALA  49           HA       ALA  49  -1.372  -2.458   4.673
  352    HB1  ALA  49           HB1      ALA  49  -2.593  -4.473   5.212
  353    HB2  ALA  49           HB2      ALA  49  -1.434  -4.871   6.483
  354    HB3  ALA  49           HB3      ALA  49  -0.928  -4.878   4.793
  355    H    ALA  50           HN       ALA  50  -0.684  -2.687   8.100
  356    HA   ALA  50           HA       ALA  50  -3.268  -2.233   9.108
  357    HB1  ALA  50           HB1      ALA  50  -1.461  -3.133  10.479
  358    HB2  ALA  50           HB2      ALA  50  -2.148  -1.682  11.211
  359    HB3  ALA  50           HB3      ALA  50  -0.603  -1.596  10.366
  360    H    ARG  51           HN       ARG  51  -0.904  -0.134   7.749
  361    HA   ARG  51           HA       ARG  51  -1.611   2.286   9.031
  362    HB2  ARG  51           HB2      ARG  51  -0.271   1.807   6.365
  363    HB3  ARG  51           HB1      ARG  51  -0.354   3.352   7.188
  364    HG2  ARG  51           HG2      ARG  51   0.997   0.895   8.265
  365    HG3  ARG  51           HG1      ARG  51   1.808   2.247   7.472
  366    HD2  ARG  51           HD2      ARG  51   1.065   3.757   9.211
  367    HD3  ARG  51           HD1      ARG  51   0.157   2.461   9.988
  368    HE   ARG  51           HE       ARG  51   2.867   1.713   9.744
  369   HH11  ARG  51          HH11      ARG  51   0.816   3.926  11.527
  370   HH12  ARG  51          HH12      ARG  51   1.839   3.936  12.938
  371   HH21  ARG  51          HH21      ARG  51   4.191   1.701  11.610
  372   HH22  ARG  51          HH22      ARG  51   3.745   2.654  12.989
  373    H    LEU  52           HN       LEU  52  -2.780   0.656   6.160
  374    HA   LEU  52           HA       LEU  52  -4.254   2.966   5.243
  375    HB2  LEU  52           HB2      LEU  52  -4.333   0.121   4.248
  376    HB3  LEU  52           HB1      LEU  52  -4.981   1.526   3.427
  377    HG   LEU  52           HG       LEU  52  -2.052   1.058   4.001
  378   HD11  LEU  52          HD11      LEU  52  -2.859  -0.513   2.354
  379   HD12  LEU  52          HD12      LEU  52  -1.873   0.723   1.570
  380   HD13  LEU  52          HD13      LEU  52  -3.632   0.789   1.452
  381   HD21  LEU  52          HD21      LEU  52  -1.708   2.961   2.492
  382   HD22  LEU  52          HD22      LEU  52  -2.612   3.420   3.935
  383   HD23  LEU  52          HD23      LEU  52  -3.453   3.197   2.400
  384    H    GLU  53           HN       GLU  53  -4.975  -0.211   6.597
  385    HA   GLU  53           HA       GLU  53  -7.737  -0.148   6.477
  386    HB2  GLU  53           HB2      GLU  53  -6.023  -1.420   8.617
  387    HB3  GLU  53           HB1      GLU  53  -7.697  -1.822   8.272
  388    HG2  GLU  53           HG2      GLU  53  -6.998  -2.516   5.995
  389    HG3  GLU  53           HG1      GLU  53  -5.325  -2.261   6.484
  390    H    SER  54           HN       SER  54  -5.671   0.776   9.232
  391    HA   SER  54           HA       SER  54  -7.819   1.551  10.899
  392    HB2  SER  54           HB2      SER  54  -6.015   2.587  12.299
  393    HB3  SER  54           HB1      SER  54  -5.708   0.901  11.870
  394    HG   SER  54           HG       SER  54  -4.101   1.497  10.578
  395    H    ARG  55           HN       ARG  55  -6.182   3.168   8.352
  396    HA   ARG  55           HA       ARG  55  -6.638   5.833   9.341
  397    HB2  ARG  55           HB2      ARG  55  -4.684   5.208   7.915
  398    HB3  ARG  55           HB1      ARG  55  -5.796   4.953   6.578
  399    HG2  ARG  55           HG2      ARG  55  -6.383   7.270   6.530
  400    HG3  ARG  55           HG1      ARG  55  -5.474   7.579   8.011
  401    HD2  ARG  55           HD2      ARG  55  -4.365   6.759   5.327
  402    HD3  ARG  55           HD1      ARG  55  -4.153   8.311   6.139
  403    HE   ARG  55           HE       ARG  55  -3.202   6.031   7.625
  404   HH11  ARG  55          HH11      ARG  55  -2.380   8.519   5.287
  405   HH12  ARG  55          HH12      ARG  55  -0.680   8.439   5.641
  406   HH21  ARG  55          HH21      ARG  55  -0.978   5.924   8.071
  407   HH22  ARG  55          HH22      ARG  55   0.135   6.951   7.216
  408    H    TYR  56           HN       TYR  56  -7.935   3.880   6.651
  409    HA   TYR  56           HA       TYR  56  -9.947   5.950   6.181
  410    HB2  TYR  56           HB2      TYR  56  -9.240   3.468   4.605
  411    HB3  TYR  56           HB1      TYR  56 -10.482   4.626   4.141
  412    HD1  TYR  56           HD2      TYR  56  -9.766   7.039   3.736
  413    HD2  TYR  56           HD1      TYR  56  -6.997   3.818   3.987
  414    HE1  TYR  56           HE2      TYR  56  -8.082   8.403   2.576
  415    HE2  TYR  56           HE1      TYR  56  -5.307   5.176   2.831
  416    HH   TYR  56           HH       TYR  56  -5.658   8.522   2.322
  417    H    GLY  57           HN       GLY  57  -9.678   3.192   8.007
  418    HA2  GLY  57           HA2      GLY  57 -11.266   1.987   9.177
  419    HA3  GLY  57           HA1      GLY  57 -12.504   3.025   8.474
  420    H    VAL  58           HN       VAL  58 -10.104   0.879   7.022
  421    HA   VAL  58           HA       VAL  58 -12.291  -0.613   5.726
  422    HB   VAL  58           HB       VAL  58 -10.937  -0.870   3.715
  423   HG11  VAL  58          HG11      VAL  58 -11.151   2.019   4.542
  424   HG12  VAL  58          HG12      VAL  58 -12.421   1.046   3.797
  425   HG13  VAL  58          HG13      VAL  58 -10.958   1.435   2.889
  426   HG21  VAL  58          HG21      VAL  58  -8.831   0.391   3.421
  427   HG22  VAL  58          HG22      VAL  58  -8.714  -0.839   4.679
  428   HG23  VAL  58          HG23      VAL  58  -8.897   0.858   5.123
  429    H    SER  59           HN       SER  59 -10.991  -2.643   4.582
  430    HA   SER  59           HA       SER  59  -8.839  -3.615   6.231
  431    HB2  SER  59           HB2      SER  59 -10.997  -4.317   7.396
  432    HB3  SER  59           HB1      SER  59 -11.319  -5.335   5.987
  433    HG   SER  59           HG       SER  59  -8.814  -5.528   7.223
  434    H    ILE  60           HN       ILE  60  -7.505  -4.892   5.085
  435    HA   ILE  60           HA       ILE  60  -8.183  -5.275   2.268
  436    HB   ILE  60           HB       ILE  60  -5.530  -5.624   3.681
  437   HG12  ILE  60          HG12      ILE  60  -6.498  -3.368   1.901
  438   HG13  ILE  60          HG11      ILE  60  -6.384  -3.285   3.658
  439   HG21  ILE  60          HG21      ILE  60  -5.683  -6.992   1.678
  440   HG22  ILE  60          HG22      ILE  60  -4.581  -5.642   1.413
  441   HG23  ILE  60          HG23      ILE  60  -6.210  -5.596   0.741
  442   HD11  ILE  60          HD11      ILE  60  -4.504  -2.195   2.573
  443   HD12  ILE  60          HD12      ILE  60  -4.084  -3.705   1.766
  444   HD13  ILE  60          HD13      ILE  60  -3.976  -3.584   3.523
  445    HA   PRO  61           HA       PRO  61  -9.352  -9.511   3.144
  446    HB2  PRO  61           HB2      PRO  61  -8.878  -9.688   0.202
  447    HB3  PRO  61           HB1      PRO  61 -10.273 -10.212   1.154
  448    HG2  PRO  61           HG2      PRO  61 -10.393  -8.008  -0.324
  449    HG3  PRO  61           HG1      PRO  61 -11.159  -8.071   1.275
  450    HD2  PRO  61           HD2      PRO  61  -8.609  -6.747   0.446
  451    HD3  PRO  61           HD1      PRO  61  -9.826  -6.216   1.627
  452    H    ASP  62           HN       ASP  62  -8.093 -11.096   3.786
  453    HA   ASP  62           HA       ASP  62  -5.311 -10.994   3.600
  454    HB2  ASP  62           HB2      ASP  62  -5.358 -13.217   4.703
  455    HB3  ASP  62           HB1      ASP  62  -6.386 -12.029   5.487
  456    H    ASP  63           HN       ASP  63  -7.643 -12.828   1.712
  457    HA   ASP  63           HA       ASP  63  -5.639 -14.401   0.390
  458    HB2  ASP  63           HB2      ASP  63  -7.978 -15.177   0.632
  459    HB3  ASP  63           HB1      ASP  63  -8.509 -13.881  -0.433
  460    H    VAL  64           HN       VAL  64  -7.525 -11.529  -0.430
  461    HA   VAL  64           HA       VAL  64  -6.552 -11.358  -3.102
  462    HB   VAL  64           HB       VAL  64  -7.841  -9.180  -1.435
  463   HG11  VAL  64          HG11      VAL  64  -7.586  -9.490  -4.425
  464   HG12  VAL  64          HG12      VAL  64  -6.727  -8.319  -3.423
  465   HG13  VAL  64          HG13      VAL  64  -8.479  -8.219  -3.592
  466   HG21  VAL  64          HG21      VAL  64  -9.260 -11.145  -1.516
  467   HG22  VAL  64          HG22      VAL  64  -9.086 -11.221  -3.269
  468   HG23  VAL  64          HG23      VAL  64  -9.932  -9.864  -2.527
  469    H    ALA  65           HN       ALA  65  -5.376 -10.317  -0.024
  470    HA   ALA  65           HA       ALA  65  -3.623  -8.268  -0.818
  471    HB1  ALA  65           HB1      ALA  65  -2.432  -8.721   1.272
  472    HB2  ALA  65           HB2      ALA  65  -3.326 -10.231   1.448
  473    HB3  ALA  65           HB3      ALA  65  -4.178  -8.690   1.517
  474    H    GLY  66           HN       GLY  66  -3.471 -11.690  -1.203
  475    HA2  GLY  66           HA2      GLY  66  -0.629 -11.632  -1.904
  476    HA3  GLY  66           HA1      GLY  66  -1.639 -13.065  -1.772
  477    H    ARG  67           HN       ARG  67  -3.482 -10.991  -3.436
  478    HA   ARG  67           HA       ARG  67  -2.669 -12.160  -5.994
  479    HB2  ARG  67           HB2      ARG  67  -5.225 -11.097  -4.902
  480    HB3  ARG  67           HB1      ARG  67  -4.952 -10.919  -6.627
  481    HG2  ARG  67           HG2      ARG  67  -6.183 -12.914  -6.327
  482    HG3  ARG  67           HG1      ARG  67  -4.532 -13.384  -6.722
  483    HD2  ARG  67           HD2      ARG  67  -5.355 -13.147  -3.863
  484    HD3  ARG  67           HD1      ARG  67  -5.828 -14.570  -4.788
  485    HE   ARG  67           HE       ARG  67  -3.035 -14.025  -5.028
  486   HH11  ARG  67          HH11      ARG  67  -5.457 -15.402  -2.898
  487   HH12  ARG  67          HH12      ARG  67  -4.344 -16.488  -2.126
  488   HH21  ARG  67          HH21      ARG  67  -1.562 -15.497  -4.044
  489   HH22  ARG  67          HH22      ARG  67  -2.134 -16.557  -2.777
  490    H    VAL  68           HN       VAL  68  -2.380  -9.289  -4.265
  491    HA   VAL  68           HA       VAL  68  -2.233  -7.599  -6.631
  492    HB   VAL  68           HB       VAL  68  -1.758  -5.750  -5.119
  493   HG11  VAL  68          HG11      VAL  68  -3.872  -5.729  -3.865
  494   HG12  VAL  68          HG12      VAL  68  -4.055  -7.458  -4.164
  495   HG13  VAL  68          HG13      VAL  68  -4.084  -6.321  -5.513
  496   HG21  VAL  68          HG21      VAL  68  -1.735  -6.063  -2.682
  497   HG22  VAL  68          HG22      VAL  68  -0.407  -6.921  -3.464
  498   HG23  VAL  68          HG23      VAL  68  -1.827  -7.809  -2.913
  499    H    ASP  69           HN       ASP  69  -0.268  -6.326  -7.038
  500    HA   ASP  69           HA       ASP  69   2.200  -7.585  -6.103
  501    HB2  ASP  69           HB2      ASP  69   1.682  -8.843  -8.081
  502    HB3  ASP  69           HB1      ASP  69   1.303  -7.379  -8.975
  503    H    THR  70           HN       THR  70   0.783  -5.081  -8.181
  504    HA   THR  70           HA       THR  70   3.049  -3.316  -7.536
  505    HB   THR  70           HB       THR  70   2.166  -1.877  -9.377
  506    HG1  THR  70           HG1      THR  70   0.367  -4.078  -9.704
  507   HG21  THR  70          HG21      THR  70   2.760  -4.746 -10.100
  508   HG22  THR  70          HG22      THR  70   3.947  -3.472  -9.816
  509   HG23  THR  70          HG23      THR  70   2.861  -3.374 -11.203
  510    HA   PRO  71           HA       PRO  71   0.752  -0.727  -4.758
  511    HB2  PRO  71           HB2      PRO  71   1.904   1.526  -6.334
  512    HB3  PRO  71           HB1      PRO  71   1.936   1.243  -4.591
  513    HG2  PRO  71           HG2      PRO  71   4.107   0.814  -6.048
  514    HG3  PRO  71           HG1      PRO  71   3.664  -0.307  -4.743
  515    HD2  PRO  71           HD2      PRO  71   3.345  -0.620  -7.702
  516    HD3  PRO  71           HD1      PRO  71   3.801  -1.827  -6.481
  517    H    ARG  72           HN       ARG  72   0.705   0.014  -8.208
  518    HA   ARG  72           HA       ARG  72  -1.507   1.675  -8.372
  519    HB2  ARG  72           HB2      ARG  72  -0.017   0.985 -10.262
  520    HB3  ARG  72           HB1      ARG  72  -0.845  -0.561 -10.289
  521    HG2  ARG  72           HG2      ARG  72  -1.776   0.784 -12.010
  522    HG3  ARG  72           HG1      ARG  72  -2.976   0.660 -10.723
  523    HD2  ARG  72           HD2      ARG  72  -2.987   2.932 -11.375
  524    HD3  ARG  72           HD1      ARG  72  -2.071   2.875  -9.867
  525    HE   ARG  72           HE       ARG  72  -0.230   2.613 -11.926
  526   HH11  ARG  72          HH11      ARG  72  -2.540   5.058 -10.873
  527   HH12  ARG  72          HH12      ARG  72  -1.590   6.383 -11.486
  528   HH21  ARG  72          HH21      ARG  72   1.000   4.361 -12.739
  529   HH22  ARG  72          HH22      ARG  72   0.398   5.989 -12.573
  530    H    GLU  73           HN       GLU  73  -1.429  -1.880  -8.511
  531    HA   GLU  73           HA       GLU  73  -4.193  -2.301  -8.740
  532    HB2  GLU  73           HB2      GLU  73  -2.091  -4.081  -7.485
  533    HB3  GLU  73           HB1      GLU  73  -3.709  -4.596  -7.948
  534    HG2  GLU  73           HG2      GLU  73  -3.228  -4.302 -10.250
  535    HG3  GLU  73           HG1      GLU  73  -1.714  -3.466  -9.890
  536    H    LEU  74           HN       LEU  74  -2.101  -2.008  -5.928
  537    HA   LEU  74           HA       LEU  74  -3.971  -2.743  -3.959
  538    HB2  LEU  74           HB2      LEU  74  -1.407  -2.439  -3.824
  539    HB3  LEU  74           HB1      LEU  74  -1.754  -0.748  -3.535
  540    HG   LEU  74           HG       LEU  74  -1.308  -2.135  -1.493
  541   HD11  LEU  74          HD11      LEU  74  -3.985  -0.775  -1.645
  542   HD12  LEU  74          HD12      LEU  74  -2.434   0.006  -1.337
  543   HD13  LEU  74          HD13      LEU  74  -3.093  -1.139  -0.168
  544   HD21  LEU  74          HD21      LEU  74  -4.011  -3.297  -2.144
  545   HD22  LEU  74          HD22      LEU  74  -3.100  -3.563  -0.657
  546   HD23  LEU  74          HD23      LEU  74  -2.472  -4.157  -2.195
  547    H    LEU  75           HN       LEU  75  -3.020   0.445  -5.209
  548    HA   LEU  75           HA       LEU  75  -4.795   1.982  -3.669
  549    HB2  LEU  75           HB2      LEU  75  -2.797   2.696  -5.147
  550    HB3  LEU  75           HB1      LEU  75  -3.946   2.687  -6.467
  551    HG   LEU  75           HG       LEU  75  -4.390   4.351  -3.992
  552   HD11  LEU  75          HD11      LEU  75  -2.981   5.161  -6.533
  553   HD12  LEU  75          HD12      LEU  75  -2.223   4.959  -4.953
  554   HD13  LEU  75          HD13      LEU  75  -3.420   6.231  -5.202
  555   HD21  LEU  75          HD21      LEU  75  -5.815   5.653  -5.474
  556   HD22  LEU  75          HD22      LEU  75  -6.326   3.966  -5.456
  557   HD23  LEU  75          HD23      LEU  75  -5.408   4.595  -6.824
  558    H    ASP  76           HN       ASP  76  -5.108   0.701  -6.991
  559    HA   ASP  76           HA       ASP  76  -7.663   1.640  -7.562
  560    HB2  ASP  76           HB2      ASP  76  -6.157  -0.790  -8.499
  561    HB3  ASP  76           HB1      ASP  76  -7.786  -0.458  -9.060
  562    H    LEU  77           HN       LEU  77  -6.677  -1.326  -5.927
  563    HA   LEU  77           HA       LEU  77  -9.174  -2.590  -5.852
  564    HB2  LEU  77           HB2      LEU  77  -7.089  -3.758  -5.394
  565    HB3  LEU  77           HB1      LEU  77  -6.836  -2.792  -3.954
  566    HG   LEU  77           HG       LEU  77  -8.900  -3.810  -2.984
  567   HD11  LEU  77          HD11      LEU  77  -9.984  -4.462  -5.070
  568   HD12  LEU  77          HD12      LEU  77  -9.781  -5.845  -3.995
  569   HD13  LEU  77          HD13      LEU  77  -8.702  -5.635  -5.373
  570   HD21  LEU  77          HD21      LEU  77  -6.676  -4.629  -2.395
  571   HD22  LEU  77          HD22      LEU  77  -6.711  -5.730  -3.771
  572   HD23  LEU  77          HD23      LEU  77  -7.847  -5.950  -2.441
  573    H    ILE  78           HN       ILE  78  -7.552  -0.645  -3.338
  574    HA   ILE  78           HA       ILE  78  -9.734  -0.871  -1.535
  575    HB   ILE  78           HB       ILE  78  -7.453   1.116  -1.521
  576   HG12  ILE  78          HG12      ILE  78  -7.849  -1.559  -0.156
  577   HG13  ILE  78          HG11      ILE  78  -6.672  -1.188  -1.410
  578   HG21  ILE  78          HG21      ILE  78  -9.376   0.348   0.678
  579   HG22  ILE  78          HG22      ILE  78  -9.348   1.891  -0.176
  580   HG23  ILE  78          HG23      ILE  78  -7.988   1.425   0.847
  581   HD11  ILE  78          HD11      ILE  78  -5.548   0.352   0.130
  582   HD12  ILE  78          HD12      ILE  78  -5.604  -1.299   0.746
  583   HD13  ILE  78          HD13      ILE  78  -6.707  -0.080   1.387
  584    H    ASN  79           HN       ASN  79  -8.864   1.494  -3.997
  585    HA   ASN  79           HA       ASN  79 -10.847   3.411  -3.265
  586    HB2  ASN  79           HB2      ASN  79  -9.261   2.919  -5.769
  587    HB3  ASN  79           HB1      ASN  79 -10.615   4.040  -5.796
  588   HD21  ASN  79          HD21      ASN  79  -8.408   3.530  -3.087
  589   HD22  ASN  79          HD22      ASN  79  -7.712   5.113  -3.137
  590    H    GLY  80           HN       GLY  80 -10.785   0.704  -5.554
  591    HA2  GLY  80           HA2      GLY  80 -13.360   1.109  -6.625
  592    HA3  GLY  80           HA1      GLY  80 -12.466  -0.403  -6.646
  593    H    ALA  81           HN       ALA  81 -12.260  -0.609  -3.767
  594    HA   ALA  81           HA       ALA  81 -14.711  -1.930  -3.222
  595    HB1  ALA  81           HB1      ALA  81 -12.514  -1.170  -1.295
  596    HB2  ALA  81           HB2      ALA  81 -12.548  -2.641  -2.268
  597    HB3  ALA  81           HB3      ALA  81 -13.771  -2.377  -1.024
  598    H    LEU  82           HN       LEU  82 -13.331   1.171  -2.247
  599    HA   LEU  82           HA       LEU  82 -15.451   1.829  -0.451
  600    HB2  LEU  82           HB2      LEU  82 -13.295   3.490  -1.744
  601    HB3  LEU  82           HB1      LEU  82 -14.443   4.137  -0.590
  602    HG   LEU  82           HG       LEU  82 -12.463   1.931  -0.024
  603   HD11  LEU  82          HD11      LEU  82 -11.401   4.123  -0.327
  604   HD12  LEU  82          HD12      LEU  82 -11.320   3.577   1.347
  605   HD13  LEU  82          HD13      LEU  82 -12.491   4.810   0.878
  606   HD21  LEU  82          HD21      LEU  82 -14.419   3.370   1.759
  607   HD22  LEU  82          HD22      LEU  82 -13.152   2.284   2.324
  608   HD23  LEU  82          HD23      LEU  82 -14.457   1.665   1.311
  609    H    ALA  83           HN       ALA  83 -14.759   2.520  -3.825
  610    HA   ALA  83           HA       ALA  83 -16.755   4.487  -4.210
  611    HB1  ALA  83           HB1      ALA  83 -15.512   2.659  -6.255
  612    HB2  ALA  83           HB2      ALA  83 -14.824   4.182  -5.695
  613    HB3  ALA  83           HB3      ALA  83 -16.352   4.177  -6.575
  614    H    GLU  84           HN       GLU  84 -17.102   1.248  -3.567
  615    HA   GLU  84           HA       GLU  84 -19.400   0.800  -5.280
  616    HB2  GLU  84           HB2      GLU  84 -17.715  -0.973  -4.852
  617    HB3  GLU  84           HB1      GLU  84 -18.178  -0.974  -3.160
  618    HG2  GLU  84           HG2      GLU  84 -20.367  -1.781  -3.695
  619    HG3  GLU  84           HG1      GLU  84 -20.048  -1.613  -5.422
  620    H    ALA  85           HN       ALA  85 -18.803   2.222  -2.330
  621    HA   ALA  85           HA       ALA  85 -21.551   1.700  -1.406
  622    HB1  ALA  85           HB1      ALA  85 -20.771   2.093   0.878
  623    HB2  ALA  85           HB2      ALA  85 -19.128   2.326   0.281
  624    HB3  ALA  85           HB3      ALA  85 -19.908   0.751   0.129
  625    H    ALA  86           HN       ALA  86 -22.528   3.477  -0.194
  626    HA   ALA  86           HA       ALA  86 -23.315   5.597  -0.075
  627    HB1  ALA  86           HB1      ALA  86 -21.692   7.384   0.273
  628    HB2  ALA  86           HB2      ALA  86 -20.398   6.328  -0.298
  629    HB3  ALA  86           HB3      ALA  86 -21.259   5.945   1.193
  630    H28  SXO  87          H28B      SXO  87   6.708 -12.304   5.920
  631   H28A  SXO  87          H28A      SXO  87   7.674 -13.596   6.633
  632    H30  SXO  87          H30A      SXO  87   4.348 -13.353   8.366
  633   H30A  SXO  87          H30C      SXO  87   6.078 -13.137   8.612
  634   H30B  SXO  87          H30B      SXO  87   5.190 -12.022   7.575
  635    H31  SXO  87          H31A      SXO  87   4.616 -14.488   4.853
  636   H31A  SXO  87          H31B      SXO  87   4.165 -12.891   5.448
  637   H31B  SXO  87          H31C      SXO  87   3.504 -14.336   6.215
  638    H32  SXO  87          H32A      SXO  87   6.417 -15.385   8.071
  639   HO33  SXO  87          H33A      SXO  87   6.089 -17.021   6.077
  640   HN36  SXO  87          H36A      SXO  87   3.998 -14.772   8.824
  641    H37  SXO  87          H37A      SXO  87   2.482 -17.251   8.757
  642   H37A  SXO  87          H37B      SXO  87   2.232 -15.881   9.840
  643    H38  SXO  87          H38B      SXO  87   0.348 -16.069   8.348
  644   H38A  SXO  87          H38A      SXO  87   1.419 -16.072   6.946
  645   HN41  SXO  87          H41A      SXO  87   0.230 -14.361   6.129
  646    H42  SXO  87          H42A      SXO  87  -0.422 -11.915   7.085
  647   H42A  SXO  87          H42B      SXO  87   1.301 -11.769   6.746
  648    H43  SXO  87          H43B      SXO  87   0.798 -12.623   4.424
  649   H43A  SXO  87          H43A      SXO  87  -0.915 -12.397   4.806
  650    H2   SXO  87           H2A      SXO  87   0.051  -9.540   1.053
  651    H2A  SXO  87           H2B      SXO  87   1.406  -9.265   2.143
  652    H3   SXO  87           H3B      SXO  87  -1.356  -8.148   2.603
  653    H3A  SXO  87           H3A      SXO  87   0.126  -7.741   3.473
  654    H4   SXO  87           H4A      SXO  87  -0.477  -7.180   0.567
  655    H4A  SXO  87           H4B      SXO  87   1.065  -6.849   1.355
  656    H5   SXO  87           H5B      SXO  87  -1.574  -5.665   2.201
  657    H5A  SXO  87           H5A      SXO  87   0.019  -5.260   2.840
  658    H6   SXO  87           H6A      SXO  87  -0.972  -4.785   0.030
  659    H6A  SXO  87           H6B      SXO  87   0.678  -4.489   0.572
  660    H7   SXO  87           H7A      SXO  87  -1.747  -3.185   1.805
  661    H7A  SXO  87           H7B      SXO  87  -0.772  -2.447   0.523
  662    H8   SXO  87           H8C      SXO  87   0.222  -3.302   3.240
  663    H8A  SXO  87           H8A      SXO  87  -0.097  -1.643   2.731
  664    H8B  SXO  87           H8B      SXO  87   1.198  -2.566   1.969
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -18.539  13.563  -1.988
    2    H2   MET   1           HT2      MET   1 -18.143  14.521  -3.330
    3    H3   MET   1           HT3      MET   1 -17.978  15.151  -1.764
    4    HA   MET   1           HA       MET   1 -16.394  12.970  -2.986
    5    HB2  MET   1           HB2      MET   1 -15.643  15.731  -2.000
    6    HB3  MET   1           HB1      MET   1 -14.496  14.521  -2.552
    7    HG2  MET   1           HG2      MET   1 -15.447  14.590  -4.779
    8    HG3  MET   1           HG1      MET   1 -16.672  15.736  -4.237
    9    HE1  MET   1           HE1      MET   1 -14.408  17.937  -6.546
   10    HE2  MET   1           HE2      MET   1 -16.035  17.331  -6.243
   11    HE3  MET   1           HE3      MET   1 -14.770  16.228  -6.785
   12    H    ALA   2           HN       ALA   2 -14.865  11.972  -1.614
   13    HA   ALA   2           HA       ALA   2 -15.304  12.350   1.268
   14    HB1  ALA   2           HB1      ALA   2 -16.819  10.569   0.573
   15    HB2  ALA   2           HB2      ALA   2 -15.527   9.926   1.586
   16    HB3  ALA   2           HB3      ALA   2 -15.476   9.693  -0.162
   17    H    THR   3           HN       THR   3 -13.672  11.137   2.563
   18    HA   THR   3           HA       THR   3 -11.053  11.534   1.498
   19    HB   THR   3           HB       THR   3 -11.494  11.906   3.873
   20    HG1  THR   3           HG1      THR   3  -9.385  11.387   3.464
   21   HG21  THR   3          HG21      THR   3 -11.893  10.061   5.414
   22   HG22  THR   3          HG22      THR   3 -11.935   8.923   4.067
   23   HG23  THR   3          HG23      THR   3 -13.185  10.159   4.217
   24    H    LEU   4           HN       LEU   4  -9.718  10.105   0.555
   25    HA   LEU   4           HA       LEU   4 -10.394   7.261   0.502
   26    HB2  LEU   4           HB2      LEU   4 -10.109   8.981  -1.969
   27    HB3  LEU   4           HB1      LEU   4 -10.239   7.235  -1.971
   28    HG   LEU   4           HG       LEU   4 -12.404   9.087  -0.969
   29   HD11  LEU   4          HD11      LEU   4 -12.130   7.684  -3.624
   30   HD12  LEU   4          HD12      LEU   4 -12.087   9.426  -3.345
   31   HD13  LEU   4          HD13      LEU   4 -13.573   8.523  -3.053
   32   HD21  LEU   4          HD21      LEU   4 -13.814   7.111  -1.058
   33   HD22  LEU   4          HD22      LEU   4 -12.436   6.835   0.008
   34   HD23  LEU   4          HD23      LEU   4 -12.449   6.141  -1.613
   35    H    LEU   5           HN       LEU   5  -8.633   6.258  -1.190
   36    HA   LEU   5           HA       LEU   5  -6.117   6.881   0.122
   37    HB2  LEU   5           HB2      LEU   5  -7.160   4.548  -0.458
   38    HB3  LEU   5           HB1      LEU   5  -6.480   4.828  -2.046
   39    HG   LEU   5           HG       LEU   5  -4.830   4.835   0.479
   40   HD11  LEU   5          HD11      LEU   5  -4.157   2.563  -0.140
   41   HD12  LEU   5          HD12      LEU   5  -5.341   2.574  -1.446
   42   HD13  LEU   5          HD13      LEU   5  -5.879   2.661   0.230
   43   HD21  LEU   5          HD21      LEU   5  -2.966   4.497  -1.045
   44   HD22  LEU   5          HD22      LEU   5  -3.833   5.985  -1.431
   45   HD23  LEU   5          HD23      LEU   5  -4.068   4.543  -2.421
   46    H    THR   6           HN       THR   6  -4.650   8.257  -0.736
   47    HA   THR   6           HA       THR   6  -4.799   8.800  -3.624
   48    HB   THR   6           HB       THR   6  -3.792  10.962  -3.228
   49    HG1  THR   6           HG1      THR   6  -3.881  10.783  -0.438
   50   HG21  THR   6          HG21      THR   6  -6.013  10.479  -1.234
   51   HG22  THR   6          HG22      THR   6  -6.219  10.850  -2.946
   52   HG23  THR   6          HG23      THR   6  -5.514  12.048  -1.863
   53    H    THR   7           HN       THR   7  -2.667   9.337  -4.636
   54    HA   THR   7           HA       THR   7  -0.741   7.368  -4.269
   55    HB   THR   7           HB       THR   7  -0.064  10.092  -5.364
   56    HG1  THR   7           HG1      THR   7  -1.384   8.021  -6.816
   57   HG21  THR   7          HG21      THR   7   1.749   8.480  -5.254
   58   HG22  THR   7          HG22      THR   7   1.283   8.739  -6.935
   59   HG23  THR   7          HG23      THR   7   0.764   7.281  -6.089
   60    H    ASP   8           HN       ASP   8  -0.937  10.633  -2.925
   61    HA   ASP   8           HA       ASP   8   1.618  10.576  -1.674
   62    HB2  ASP   8           HB2      ASP   8  -0.802  12.319  -1.188
   63    HB3  ASP   8           HB1      ASP   8   0.753  12.553  -0.393
   64    H    ASP   9           HN       ASP   9  -1.677   9.871  -0.559
   65    HA   ASP   9           HA       ASP   9  -1.046   9.390   2.143
   66    HB2  ASP   9           HB2      ASP   9  -3.252   8.460   0.343
   67    HB3  ASP   9           HB1      ASP   9  -3.077   7.743   1.938
   68    H    LEU  10           HN       LEU  10  -1.092   7.260  -0.671
   69    HA   LEU  10           HA       LEU  10  -0.387   4.890   0.670
   70    HB2  LEU  10           HB2      LEU  10  -1.278   5.008  -1.646
   71    HB3  LEU  10           HB1      LEU  10   0.249   5.685  -2.171
   72    HG   LEU  10           HG       LEU  10   1.394   3.596  -1.513
   73   HD11  LEU  10          HD11      LEU  10  -1.395   2.614  -0.925
   74   HD12  LEU  10          HD12      LEU  10  -0.106   2.873   0.252
   75   HD13  LEU  10          HD13      LEU  10   0.058   1.613  -0.973
   76   HD21  LEU  10          HD21      LEU  10   0.638   3.897  -3.809
   77   HD22  LEU  10          HD22      LEU  10  -0.935   3.216  -3.391
   78   HD23  LEU  10          HD23      LEU  10   0.510   2.209  -3.319
   79    H    ARG  11           HN       ARG  11   1.566   7.343  -0.982
   80    HA   ARG  11           HA       ARG  11   4.092   6.263  -0.611
   81    HB2  ARG  11           HB2      ARG  11   3.688   8.240  -1.991
   82    HB3  ARG  11           HB1      ARG  11   3.274   9.177  -0.561
   83    HG2  ARG  11           HG2      ARG  11   5.623   8.682   0.265
   84    HG3  ARG  11           HG1      ARG  11   5.958   8.103  -1.367
   85    HD2  ARG  11           HD2      ARG  11   4.950  10.859  -0.671
   86    HD3  ARG  11           HD1      ARG  11   6.624  10.449  -1.040
   87    HE   ARG  11           HE       ARG  11   5.456   9.602  -3.250
   88   HH11  ARG  11          HH11      ARG  11   4.846  12.539  -1.449
   89   HH12  ARG  11          HH12      ARG  11   4.397  13.454  -2.854
   90   HH21  ARG  11          HH21      ARG  11   4.898  10.829  -5.118
   91   HH22  ARG  11          HH22      ARG  11   4.446  12.500  -4.928
   92    H    ARG  12           HN       ARG  12   2.345   8.514   1.542
   93    HA   ARG  12           HA       ARG  12   4.426   8.632   3.460
   94    HB2  ARG  12           HB2      ARG  12   2.894   9.847   4.852
   95    HB3  ARG  12           HB1      ARG  12   2.665  10.372   3.189
   96    HG2  ARG  12           HG2      ARG  12   0.678   9.009   2.993
   97    HG3  ARG  12           HG1      ARG  12   0.943   8.366   4.612
   98    HD2  ARG  12           HD2      ARG  12   0.386  11.249   3.927
   99    HD3  ARG  12           HD1      ARG  12  -0.770  10.107   4.612
  100    HE   ARG  12           HE       ARG  12   1.488  10.194   6.275
  101   HH11  ARG  12          HH11      ARG  12  -1.249  12.197   5.331
  102   HH12  ARG  12          HH12      ARG  12  -1.213  13.131   6.796
  103   HH21  ARG  12          HH21      ARG  12   1.548  11.420   8.168
  104   HH22  ARG  12          HH22      ARG  12   0.396  12.709   8.416
  105    H    ALA  13           HN       ALA  13   1.747   6.471   2.981
  106    HA   ALA  13           HA       ALA  13   1.564   5.412   5.578
  107    HB1  ALA  13           HB1      ALA  13   0.404   3.535   4.549
  108    HB2  ALA  13           HB2      ALA  13   0.971   4.045   2.959
  109    HB3  ALA  13           HB3      ALA  13  -0.149   5.065   3.863
  110    H    LEU  14           HN       LEU  14   3.434   4.357   2.750
  111    HA   LEU  14           HA       LEU  14   4.633   2.120   3.964
  112    HB2  LEU  14           HB2      LEU  14   5.293   3.829   1.599
  113    HB3  LEU  14           HB1      LEU  14   6.500   2.702   2.183
  114    HG   LEU  14           HG       LEU  14   5.248   1.727   0.341
  115   HD11  LEU  14          HD11      LEU  14   4.543  -0.353   1.392
  116   HD12  LEU  14          HD12      LEU  14   4.544   0.436   2.969
  117   HD13  LEU  14          HD13      LEU  14   6.055   0.235   2.082
  118   HD21  LEU  14          HD21      LEU  14   2.814   2.147   2.067
  119   HD22  LEU  14          HD22      LEU  14   2.856   1.203   0.579
  120   HD23  LEU  14          HD23      LEU  14   3.169   2.938   0.530
  121    H    VAL  15           HN       VAL  15   5.636   5.487   3.747
  122    HA   VAL  15           HA       VAL  15   8.197   5.177   4.896
  123    HB   VAL  15           HB       VAL  15   6.429   7.633   4.824
  124   HG11  VAL  15          HG11      VAL  15   8.229   7.809   6.472
  125   HG12  VAL  15          HG12      VAL  15   8.480   8.906   5.115
  126   HG13  VAL  15          HG13      VAL  15   9.411   7.412   5.225
  127   HG21  VAL  15          HG21      VAL  15   7.738   8.261   2.842
  128   HG22  VAL  15          HG22      VAL  15   6.844   6.762   2.591
  129   HG23  VAL  15          HG23      VAL  15   8.578   6.710   2.911
  130    H    GLU  16           HN       GLU  16   5.140   6.381   6.305
  131    HA   GLU  16           HA       GLU  16   6.345   6.713   8.881
  132    HB2  GLU  16           HB2      GLU  16   3.463   6.912   8.013
  133    HB3  GLU  16           HB1      GLU  16   4.086   7.419   9.576
  134    HG2  GLU  16           HG2      GLU  16   5.462   9.102   8.531
  135    HG3  GLU  16           HG1      GLU  16   4.966   8.556   6.931
  136    H    SER  17           HN       SER  17   5.029   4.034   7.297
  137    HA   SER  17           HA       SER  17   4.114   2.673   9.672
  138    HB2  SER  17           HB2      SER  17   3.176   2.101   7.462
  139    HB3  SER  17           HB1      SER  17   4.769   1.583   6.918
  140    HG   SER  17           HG       SER  17   4.177  -0.290   7.650
  141    H    ALA  18           HN       ALA  18   7.017   2.729   7.672
  142    HA   ALA  18           HA       ALA  18   8.307   0.706   9.298
  143    HB1  ALA  18           HB1      ALA  18  10.181   0.951   7.745
  144    HB2  ALA  18           HB2      ALA  18   9.375   2.319   6.977
  145    HB3  ALA  18           HB3      ALA  18   8.663   0.708   6.884
  146    H    GLY  19           HN       GLY  19   8.725   4.159   8.583
  147    HA2  GLY  19           HA2      GLY  19   9.338   5.760  10.225
  148    HA3  GLY  19           HA1      GLY  19  10.009   4.461  11.201
  149    H    GLU  20           HN       GLU  20  10.513   6.370   8.279
  150    HA   GLU  20           HA       GLU  20  13.090   5.469   7.662
  151    HB2  GLU  20           HB2      GLU  20  11.856   6.773   6.058
  152    HB3  GLU  20           HB1      GLU  20  11.788   8.145   7.160
  153    HG2  GLU  20           HG2      GLU  20  14.264   8.288   7.038
  154    HG3  GLU  20           HG1      GLU  20  14.231   7.025   5.807
  155    H    THR  21           HN       THR  21  14.916   5.631   8.769
  156    HA   THR  21           HA       THR  21  15.405   8.104  10.278
  157    HB   THR  21           HB       THR  21  16.475   5.450  11.222
  158    HG1  THR  21           HG1      THR  21  13.889   6.173  11.197
  159   HG21  THR  21          HG21      THR  21  16.502   6.641  13.392
  160   HG22  THR  21          HG22      THR  21  15.910   8.091  12.579
  161   HG23  THR  21          HG23      THR  21  17.496   7.434  12.171
  162    H    ASP  22           HN       ASP  22  16.114   7.266   7.577
  163    HA   ASP  22           HA       ASP  22  19.020   7.519   7.760
  164    HB2  ASP  22           HB2      ASP  22  17.617   5.401   6.109
  165    HB3  ASP  22           HB1      ASP  22  19.324   5.803   5.972
  166    H    GLY  23           HN       GLY  23  16.896   6.780   5.024
  167    HA2  GLY  23           HA2      GLY  23  16.336   9.200   3.942
  168    HA3  GLY  23           HA1      GLY  23  18.020   8.947   3.489
  169    H    THR  24           HN       THR  24  14.736   7.866   3.098
  170    HA   THR  24           HA       THR  24  15.582   5.793   1.182
  171    HB   THR  24           HB       THR  24  12.872   6.164   2.469
  172    HG1  THR  24           HG1      THR  24  14.689   5.710   3.933
  173   HG21  THR  24          HG21      THR  24  12.821   4.832   0.422
  174   HG22  THR  24          HG22      THR  24  12.540   3.806   1.832
  175   HG23  THR  24          HG23      THR  24  14.117   3.808   1.040
  176    H    ASP  25           HN       ASP  25  15.716   6.757  -0.796
  177    HA   ASP  25           HA       ASP  25  13.930   8.768  -1.714
  178    HB2  ASP  25           HB2      ASP  25  15.858   6.959  -3.178
  179    HB3  ASP  25           HB1      ASP  25  14.863   8.152  -4.006
  180    H    LEU  26           HN       LEU  26  11.894   7.816  -1.160
  181    HA   LEU  26           HA       LEU  26  10.984   5.654  -2.919
  182    HB2  LEU  26           HB2      LEU  26  10.525   5.656  -0.438
  183    HB3  LEU  26           HB1      LEU  26   9.491   7.049  -0.691
  184    HG   LEU  26           HG       LEU  26   8.064   5.669  -2.181
  185   HD11  LEU  26          HD11      LEU  26   9.841   3.422  -1.233
  186   HD12  LEU  26          HD12      LEU  26   9.733   4.041  -2.880
  187   HD13  LEU  26          HD13      LEU  26   8.346   3.234  -2.149
  188   HD21  LEU  26          HD21      LEU  26   7.031   4.367  -0.394
  189   HD22  LEU  26          HD22      LEU  26   7.485   5.977   0.164
  190   HD23  LEU  26          HD23      LEU  26   8.472   4.582   0.600
  191    H    SER  27           HN       SER  27  11.485   8.737  -3.263
  192    HA   SER  27           HA       SER  27   8.931   9.548  -4.384
  193    HB2  SER  27           HB2      SER  27  10.673  11.594  -4.906
  194    HB3  SER  27           HB1      SER  27   9.726  11.437  -3.423
  195    HG   SER  27           HG       SER  27  12.448  10.992  -3.867
  196    H    GLY  28           HN       GLY  28  11.397   7.701  -5.451
  197    HA2  GLY  28           HA2      GLY  28  11.551   8.837  -8.145
  198    HA3  GLY  28           HA1      GLY  28  12.515   7.507  -7.521
  199    H    ASP  29           HN       ASP  29   9.027   7.948  -7.461
  200    HA   ASP  29           HA       ASP  29   7.281   6.777  -8.285
  201    HB2  ASP  29           HB2      ASP  29   8.260   6.986 -10.512
  202    HB3  ASP  29           HB1      ASP  29   9.298   5.596 -10.212
  203    H    PHE  30           HN       PHE  30   6.321   4.637  -8.274
  204    HA   PHE  30           HA       PHE  30   7.734   2.427  -7.176
  205    HB2  PHE  30           HB2      PHE  30   6.541   2.440  -4.950
  206    HB3  PHE  30           HB1      PHE  30   7.785   3.669  -5.131
  207    HD1  PHE  30           HD2      PHE  30   7.204   6.018  -5.277
  208    HD2  PHE  30           HD1      PHE  30   4.197   3.045  -4.801
  209    HE1  PHE  30           HE2      PHE  30   5.586   7.763  -4.654
  210    HE2  PHE  30           HE1      PHE  30   2.573   4.790  -4.186
  211    HZ   PHE  30           HZ       PHE  30   3.265   7.146  -4.108
  212    H    LEU  31           HN       LEU  31   4.819   4.031  -8.099
  213    HA   LEU  31           HA       LEU  31   2.891   2.169  -7.384
  214    HB2  LEU  31           HB2      LEU  31   2.948   4.104  -9.689
  215    HB3  LEU  31           HB1      LEU  31   1.536   3.168  -9.244
  216    HG   LEU  31           HG       LEU  31   2.919   5.136  -7.419
  217   HD11  LEU  31          HD11      LEU  31   1.885   6.267  -9.316
  218   HD12  LEU  31          HD12      LEU  31   1.000   6.580  -7.821
  219   HD13  LEU  31          HD13      LEU  31   0.368   5.423  -8.996
  220   HD21  LEU  31          HD21      LEU  31   0.290   3.680  -7.160
  221   HD22  LEU  31          HD22      LEU  31   0.910   4.901  -6.047
  222   HD23  LEU  31          HD23      LEU  31   1.751   3.362  -6.225
  223    H    ASP  32           HN       ASP  32   4.914   2.238 -10.288
  224    HA   ASP  32           HA       ASP  32   3.460  -0.053 -11.378
  225    HB2  ASP  32           HB2      ASP  32   4.097   1.916 -12.807
  226    HB3  ASP  32           HB1      ASP  32   5.781   1.454 -12.601
  227    H    LEU  33           HN       LEU  33   6.183   0.576  -9.496
  228    HA   LEU  33           HA       LEU  33   7.681  -1.755 -10.353
  229    HB2  LEU  33           HB2      LEU  33   8.163   0.195  -8.096
  230    HB3  LEU  33           HB1      LEU  33   9.255  -1.099  -8.552
  231    HG   LEU  33           HG       LEU  33   8.492   1.220 -10.330
  232   HD11  LEU  33          HD11      LEU  33  11.020   0.710  -8.767
  233   HD12  LEU  33          HD12      LEU  33   9.817   1.954  -8.424
  234   HD13  LEU  33          HD13      LEU  33  10.761   2.028  -9.913
  235   HD21  LEU  33          HD21      LEU  33  10.594  -0.921 -10.675
  236   HD22  LEU  33          HD22      LEU  33  10.278   0.420 -11.774
  237   HD23  LEU  33          HD23      LEU  33   9.064  -0.838 -11.549
  238    H    ARG  34           HN       ARG  34   8.027  -3.597  -9.082
  239    HA   ARG  34           HA       ARG  34   5.767  -4.389  -7.530
  240    HB2  ARG  34           HB2      ARG  34   8.423  -5.820  -7.694
  241    HB3  ARG  34           HB1      ARG  34   6.853  -6.514  -7.307
  242    HG2  ARG  34           HG2      ARG  34   6.094  -6.029  -9.587
  243    HG3  ARG  34           HG1      ARG  34   7.692  -5.382  -9.967
  244    HD2  ARG  34           HD2      ARG  34   7.713  -7.577 -10.779
  245    HD3  ARG  34           HD1      ARG  34   8.599  -7.650  -9.259
  246    HE   ARG  34           HE       ARG  34   5.743  -8.302  -9.240
  247   HH11  ARG  34          HH11      ARG  34   9.072  -9.402  -9.118
  248   HH12  ARG  34          HH12      ARG  34   8.667 -10.945  -8.429
  249   HH21  ARG  34          HH21      ARG  34   5.216 -10.344  -8.360
  250   HH22  ARG  34          HH22      ARG  34   6.478 -11.493  -8.012
  251    H    PHE  35           HN       PHE  35   5.650  -4.883  -5.315
  252    HA   PHE  35           HA       PHE  35   6.935  -3.214  -3.497
  253    HB2  PHE  35           HB2      PHE  35   5.672  -5.922  -3.049
  254    HB3  PHE  35           HB1      PHE  35   6.195  -4.857  -1.744
  255    HD1  PHE  35           HD2      PHE  35   5.218  -2.395  -1.908
  256    HD2  PHE  35           HD1      PHE  35   3.477  -5.852  -3.687
  257    HE1  PHE  35           HE2      PHE  35   3.034  -1.268  -1.953
  258    HE2  PHE  35           HE1      PHE  35   1.285  -4.724  -3.734
  259    HZ   PHE  35           HZ       PHE  35   1.061  -2.434  -2.864
  260    H    GLU  36           HN       GLU  36   7.791  -6.418  -4.623
  261    HA   GLU  36           HA       GLU  36   9.864  -7.087  -2.907
  262    HB2  GLU  36           HB2      GLU  36   9.951  -7.634  -5.870
  263    HB3  GLU  36           HB1      GLU  36  10.578  -8.625  -4.564
  264    HG2  GLU  36           HG2      GLU  36   7.659  -8.135  -5.112
  265    HG3  GLU  36           HG1      GLU  36   8.564  -9.556  -5.622
  266    H    ASP  37           HN       ASP  37   9.796  -4.759  -5.498
  267    HA   ASP  37           HA       ASP  37  12.703  -4.674  -5.695
  268    HB2  ASP  37           HB2      ASP  37  10.533  -3.350  -7.324
  269    HB3  ASP  37           HB1      ASP  37  12.249  -3.040  -7.563
  270    H    ILE  38           HN       ILE  38  10.119  -2.853  -4.266
  271    HA   ILE  38           HA       ILE  38  11.736  -0.448  -4.132
  272    HB   ILE  38           HB       ILE  38   9.800   0.540  -2.891
  273   HG12  ILE  38          HG12      ILE  38   8.434  -2.057  -3.648
  274   HG13  ILE  38          HG11      ILE  38   8.878  -1.588  -2.009
  275   HG21  ILE  38          HG21      ILE  38   8.361   0.682  -4.891
  276   HG22  ILE  38          HG22      ILE  38   9.276  -0.638  -5.618
  277   HG23  ILE  38          HG23      ILE  38  10.071   0.895  -5.261
  278   HD11  ILE  38          HD11      ILE  38   7.348   0.293  -2.119
  279   HD12  ILE  38          HD12      ILE  38   6.514  -1.221  -2.464
  280   HD13  ILE  38          HD13      ILE  38   6.934  -0.127  -3.781
  281    H    GLY  39           HN       GLY  39  12.360  -3.017  -2.652
  282    HA2  GLY  39           HA2      GLY  39  13.737  -3.330  -0.833
  283    HA3  GLY  39           HA1      GLY  39  13.522  -1.636  -0.439
  284    H    TYR  40           HN       TYR  40  10.610  -3.448  -0.757
  285    HA   TYR  40           HA       TYR  40  10.393  -3.459   2.170
  286    HB2  TYR  40           HB2      TYR  40   8.330  -3.126   0.006
  287    HB3  TYR  40           HB1      TYR  40   7.868  -3.606   1.637
  288    HD1  TYR  40           HD2      TYR  40   8.282  -2.082   3.532
  289    HD2  TYR  40           HD1      TYR  40   8.961  -0.877  -0.486
  290    HE1  TYR  40           HE2      TYR  40   8.305   0.267   4.250
  291    HE2  TYR  40           HE1      TYR  40   8.994   1.479   0.213
  292    HH   TYR  40           HH       TYR  40   9.239   2.426   3.448
  293    H    ASP  41           HN       ASP  41  10.649  -5.338   3.077
  294    HA   ASP  41           HA       ASP  41  10.438  -7.815   1.658
  295    HB2  ASP  41           HB2      ASP  41  10.686  -7.270   4.629
  296    HB3  ASP  41           HB1      ASP  41  10.846  -8.854   3.877
  297    H    SER  42           HN       SER  42   9.028  -9.583   2.350
  298    HA   SER  42           HA       SER  42   6.349  -9.046   2.177
  299    HB2  SER  42           HB2      SER  42   6.473 -11.413   3.638
  300    HB3  SER  42           HB1      SER  42   6.493 -11.267   1.880
  301    H    LEU  43           HN       LEU  43   8.233  -9.575   5.143
  302    HA   LEU  43           HA       LEU  43   6.178  -9.380   7.000
  303    HB2  LEU  43           HB2      LEU  43   8.462 -10.067   7.549
  304    HB3  LEU  43           HB1      LEU  43   9.043  -8.447   7.225
  305    HG   LEU  43           HG       LEU  43   7.682  -7.612   9.132
  306   HD11  LEU  43          HD11      LEU  43   7.157 -10.543   9.590
  307   HD12  LEU  43          HD12      LEU  43   5.967  -9.309   9.176
  308   HD13  LEU  43          HD13      LEU  43   6.793  -9.249  10.733
  309   HD21  LEU  43          HD21      LEU  43   9.627  -9.821   9.799
  310   HD22  LEU  43          HD22      LEU  43   9.123  -8.523  10.881
  311   HD23  LEU  43          HD23      LEU  43  10.041  -8.148   9.424
  312    H    ALA  44           HN       ALA  44   8.340  -6.759   5.911
  313    HA   ALA  44           HA       ALA  44   7.034  -4.709   7.329
  314    HB1  ALA  44           HB1      ALA  44   8.303  -3.175   5.909
  315    HB2  ALA  44           HB2      ALA  44   8.726  -4.514   4.843
  316    HB3  ALA  44           HB3      ALA  44   9.315  -4.491   6.506
  317    H    LEU  45           HN       LEU  45   6.421  -6.165   4.227
  318    HA   LEU  45           HA       LEU  45   4.753  -4.179   3.130
  319    HB2  LEU  45           HB2      LEU  45   5.714  -5.947   1.780
  320    HB3  LEU  45           HB1      LEU  45   4.837  -7.165   2.685
  321    HG   LEU  45           HG       LEU  45   2.722  -6.330   1.790
  322   HD11  LEU  45          HD11      LEU  45   2.681  -4.639   0.041
  323   HD12  LEU  45          HD12      LEU  45   4.423  -4.406   0.207
  324   HD13  LEU  45          HD13      LEU  45   3.344  -3.973   1.536
  325   HD21  LEU  45          HD21      LEU  45   3.053  -7.007  -0.542
  326   HD22  LEU  45          HD22      LEU  45   3.890  -8.081   0.580
  327   HD23  LEU  45          HD23      LEU  45   4.799  -6.871  -0.325
  328    H    MET  46           HN       MET  46   3.950  -7.149   4.976
  329    HA   MET  46           HA       MET  46   1.160  -6.544   4.938
  330    HB2  MET  46           HB2      MET  46   0.827  -8.444   6.333
  331    HB3  MET  46           HB1      MET  46   2.064  -8.859   5.159
  332    HG2  MET  46           HG2      MET  46   3.782  -8.715   6.780
  333    HG3  MET  46           HG1      MET  46   2.705  -7.958   7.950
  334    HE1  MET  46           HE1      MET  46   3.348 -11.367   9.684
  335    HE2  MET  46           HE2      MET  46   3.332  -9.613   9.859
  336    HE3  MET  46           HE3      MET  46   4.508 -10.383   8.793
  337    H    GLU  47           HN       GLU  47   3.787  -5.704   7.035
  338    HA   GLU  47           HA       GLU  47   2.338  -4.899   9.317
  339    HB2  GLU  47           HB2      GLU  47   4.914  -3.813   8.141
  340    HB3  GLU  47           HB1      GLU  47   4.290  -3.369   9.722
  341    HG2  GLU  47           HG2      GLU  47   4.906  -6.210   8.967
  342    HG3  GLU  47           HG1      GLU  47   6.108  -5.119   9.656
  343    H    THR  48           HN       THR  48   3.304  -3.188   6.389
  344    HA   THR  48           HA       THR  48   2.234  -0.682   7.033
  345    HB   THR  48           HB       THR  48   2.630  -1.864   4.282
  346    HG1  THR  48           HG1      THR  48   4.616  -1.938   5.220
  347   HG21  THR  48          HG21      THR  48   1.312   0.179   4.234
  348   HG22  THR  48          HG22      THR  48   2.929   0.489   3.601
  349   HG23  THR  48          HG23      THR  48   2.506   1.001   5.237
  350    H    ALA  49           HN       ALA  49   0.758  -3.564   5.758
  351    HA   ALA  49           HA       ALA  49  -1.530  -2.514   4.554
  352    HB1  ALA  49           HB1      ALA  49  -2.517  -4.708   4.879
  353    HB2  ALA  49           HB2      ALA  49  -1.279  -5.108   6.070
  354    HB3  ALA  49           HB3      ALA  49  -0.832  -4.861   4.381
  355    H    ALA  50           HN       ALA  50  -0.873  -3.296   7.923
  356    HA   ALA  50           HA       ALA  50  -3.496  -3.055   8.903
  357    HB1  ALA  50           HB1      ALA  50  -0.894  -2.615  10.360
  358    HB2  ALA  50           HB2      ALA  50  -1.697  -4.169  10.137
  359    HB3  ALA  50           HB3      ALA  50  -2.465  -2.909  11.105
  360    H    ARG  51           HN       ARG  51  -1.047  -0.742   8.125
  361    HA   ARG  51           HA       ARG  51  -2.083   1.401   9.699
  362    HB2  ARG  51           HB2      ARG  51  -0.313   1.615   7.261
  363    HB3  ARG  51           HB1      ARG  51  -0.498   2.787   8.551
  364    HG2  ARG  51           HG2      ARG  51   0.767   0.072   8.774
  365    HG3  ARG  51           HG1      ARG  51   1.596   1.627   8.790
  366    HD2  ARG  51           HD2      ARG  51  -0.417   0.715  10.840
  367    HD3  ARG  51           HD1      ARG  51   1.332   0.634  11.038
  368    HE   ARG  51           HE       ARG  51  -0.106   3.189  10.673
  369   HH11  ARG  51          HH11      ARG  51   2.308   1.219  12.267
  370   HH12  ARG  51          HH12      ARG  51   2.792   2.472  13.368
  371   HH21  ARG  51          HH21      ARG  51   0.534   4.850  12.122
  372   HH22  ARG  51          HH22      ARG  51   1.786   4.540  13.286
  373    H    LEU  52           HN       LEU  52  -2.505   0.311   6.375
  374    HA   LEU  52           HA       LEU  52  -3.987   2.564   5.485
  375    HB2  LEU  52           HB2      LEU  52  -4.144  -0.271   4.457
  376    HB3  LEU  52           HB1      LEU  52  -4.673   1.171   3.618
  377    HG   LEU  52           HG       LEU  52  -1.796   0.646   4.363
  378   HD11  LEU  52          HD11      LEU  52  -3.256   0.163   1.769
  379   HD12  LEU  52          HD12      LEU  52  -2.492  -1.048   2.799
  380   HD13  LEU  52          HD13      LEU  52  -1.505   0.144   1.958
  381   HD21  LEU  52          HD21      LEU  52  -2.370   2.999   4.081
  382   HD22  LEU  52          HD22      LEU  52  -3.089   2.646   2.510
  383   HD23  LEU  52          HD23      LEU  52  -1.354   2.437   2.754
  384    H    GLU  53           HN       GLU  53  -4.926  -0.626   6.704
  385    HA   GLU  53           HA       GLU  53  -7.698  -0.326   6.534
  386    HB2  GLU  53           HB2      GLU  53  -6.063  -1.912   8.522
  387    HB3  GLU  53           HB1      GLU  53  -7.795  -2.083   8.294
  388    HG2  GLU  53           HG2      GLU  53  -7.445  -2.820   6.008
  389    HG3  GLU  53           HG1      GLU  53  -5.705  -2.604   6.194
  390    H    SER  54           HN       SER  54  -5.485   0.371   9.224
  391    HA   SER  54           HA       SER  54  -7.465   1.273  11.016
  392    HB2  SER  54           HB2      SER  54  -4.529   2.010  10.925
  393    HB3  SER  54           HB1      SER  54  -5.596   2.172  12.321
  394    HG   SER  54           HG       SER  54  -4.650  -0.190  11.070
  395    H    ARG  55           HN       ARG  55  -5.737   2.870   8.435
  396    HA   ARG  55           HA       ARG  55  -6.224   5.550   9.297
  397    HB2  ARG  55           HB2      ARG  55  -4.414   4.700   7.682
  398    HB3  ARG  55           HB1      ARG  55  -5.673   4.662   6.458
  399    HG2  ARG  55           HG2      ARG  55  -4.925   7.144   7.988
  400    HG3  ARG  55           HG1      ARG  55  -4.194   6.688   6.453
  401    HD2  ARG  55           HD2      ARG  55  -6.693   6.542   5.667
  402    HD3  ARG  55           HD1      ARG  55  -6.961   7.618   7.036
  403    HE   ARG  55           HE       ARG  55  -4.826   8.497   5.341
  404   HH11  ARG  55          HH11      ARG  55  -8.307   8.556   5.793
  405   HH12  ARG  55          HH12      ARG  55  -8.537   9.926   4.749
  406   HH21  ARG  55          HH21      ARG  55  -5.136  10.305   3.978
  407   HH22  ARG  55          HH22      ARG  55  -6.746  10.934   3.756
  408    H    TYR  56           HN       TYR  56  -7.700   3.488   6.782
  409    HA   TYR  56           HA       TYR  56  -9.704   5.555   6.293
  410    HB2  TYR  56           HB2      TYR  56  -9.167   2.967   4.819
  411    HB3  TYR  56           HB1      TYR  56 -10.290   4.229   4.315
  412    HD1  TYR  56           HD2      TYR  56  -9.374   6.499   3.710
  413    HD2  TYR  56           HD1      TYR  56  -6.869   3.111   4.291
  414    HE1  TYR  56           HE2      TYR  56  -7.559   7.642   2.507
  415    HE2  TYR  56           HE1      TYR  56  -5.046   4.246   3.092
  416    HH   TYR  56           HH       TYR  56  -5.083   7.548   2.404
  417    H    GLY  57           HN       GLY  57  -9.438   2.842   8.224
  418    HA2  GLY  57           HA2      GLY  57 -11.034   1.750   9.496
  419    HA3  GLY  57           HA1      GLY  57 -12.257   2.782   8.762
  420    H    VAL  58           HN       VAL  58  -9.962   0.756   7.061
  421    HA   VAL  58           HA       VAL  58 -12.239  -0.722   5.922
  422    HB   VAL  58           HB       VAL  58 -10.939  -1.043   3.898
  423   HG11  VAL  58          HG11      VAL  58 -10.808   1.263   3.091
  424   HG12  VAL  58          HG12      VAL  58 -10.939   1.846   4.751
  425   HG13  VAL  58          HG13      VAL  58 -12.284   0.973   4.013
  426   HG21  VAL  58          HG21      VAL  58  -8.763   0.020   3.566
  427   HG22  VAL  58          HG22      VAL  58  -8.711  -1.153   4.882
  428   HG23  VAL  58          HG23      VAL  58  -8.773   0.572   5.241
  429    H    SER  59           HN       SER  59 -11.217  -2.810   4.785
  430    HA   SER  59           HA       SER  59  -9.017  -3.938   6.315
  431    HB2  SER  59           HB2      SER  59 -11.221  -4.678   7.383
  432    HB3  SER  59           HB1      SER  59 -11.527  -5.570   5.891
  433    HG   SER  59           HG       SER  59  -9.025  -5.968   7.000
  434    H    ILE  60           HN       ILE  60  -7.745  -5.267   5.099
  435    HA   ILE  60           HA       ILE  60  -8.302  -5.199   2.232
  436    HB   ILE  60           HB       ILE  60  -5.799  -6.046   3.704
  437   HG12  ILE  60          HG12      ILE  60  -6.432  -3.477   2.227
  438   HG13  ILE  60          HG11      ILE  60  -6.363  -3.650   3.978
  439   HG21  ILE  60          HG21      ILE  60  -6.243  -5.522   0.764
  440   HG22  ILE  60          HG22      ILE  60  -5.997  -7.103   1.504
  441   HG23  ILE  60          HG23      ILE  60  -4.698  -5.910   1.521
  442   HD11  ILE  60          HD11      ILE  60  -4.346  -2.630   3.062
  443   HD12  ILE  60          HD12      ILE  60  -4.062  -4.072   2.088
  444   HD13  ILE  60          HD13      ILE  60  -3.997  -4.170   3.849
  445    HA   PRO  61           HA       PRO  61  -9.964  -9.346   2.404
  446    HB2  PRO  61           HB2      PRO  61  -9.285  -9.192  -0.494
  447    HB3  PRO  61           HB1      PRO  61 -10.797  -9.671   0.284
  448    HG2  PRO  61           HG2      PRO  61 -10.571  -7.286  -0.870
  449    HG3  PRO  61           HG1      PRO  61 -11.459  -7.484   0.652
  450    HD2  PRO  61           HD2      PRO  61  -8.741  -6.343   0.184
  451    HD3  PRO  61           HD1      PRO  61  -9.984  -5.860   1.357
  452    H    ASP  62           HN       ASP  62  -8.834 -10.994   3.086
  453    HA   ASP  62           HA       ASP  62  -6.074 -11.233   2.967
  454    HB2  ASP  62           HB2      ASP  62  -6.486 -13.578   3.799
  455    HB3  ASP  62           HB1      ASP  62  -7.284 -12.307   4.722
  456    H    ASP  63           HN       ASP  63  -8.522 -12.709   0.896
  457    HA   ASP  63           HA       ASP  63  -6.626 -14.436  -0.409
  458    HB2  ASP  63           HB2      ASP  63  -8.989 -15.078  -0.176
  459    HB3  ASP  63           HB1      ASP  63  -9.464 -13.698  -1.158
  460    H    VAL  64           HN       VAL  64  -8.214 -11.374  -1.109
  461    HA   VAL  64           HA       VAL  64  -7.258 -11.244  -3.803
  462    HB   VAL  64           HB       VAL  64  -8.371  -8.978  -2.149
  463   HG11  VAL  64          HG11      VAL  64  -7.275  -8.243  -4.195
  464   HG12  VAL  64          HG12      VAL  64  -9.022  -8.056  -4.341
  465   HG13  VAL  64          HG13      VAL  64  -8.212  -9.405  -5.136
  466   HG21  VAL  64          HG21      VAL  64  -9.802 -11.020  -3.846
  467   HG22  VAL  64          HG22      VAL  64 -10.542  -9.565  -3.178
  468   HG23  VAL  64          HG23      VAL  64  -9.933 -10.820  -2.099
  469    H    ALA  65           HN       ALA  65  -6.068 -10.196  -0.705
  470    HA   ALA  65           HA       ALA  65  -4.283  -8.195  -1.526
  471    HB1  ALA  65           HB1      ALA  65  -4.004 -10.100   0.796
  472    HB2  ALA  65           HB2      ALA  65  -4.883  -8.569   0.820
  473    HB3  ALA  65           HB3      ALA  65  -3.133  -8.580   0.589
  474    H    GLY  66           HN       GLY  66  -3.984 -11.674  -1.427
  475    HA2  GLY  66           HA2      GLY  66  -1.165 -11.671  -2.022
  476    HA3  GLY  66           HA1      GLY  66  -2.216 -13.077  -1.949
  477    H    ARG  67           HN       ARG  67  -3.526 -10.692  -3.917
  478    HA   ARG  67           HA       ARG  67  -2.673 -12.157  -6.311
  479    HB2  ARG  67           HB2      ARG  67  -4.937 -10.175  -5.999
  480    HB3  ARG  67           HB1      ARG  67  -4.592 -11.139  -7.426
  481    HG2  ARG  67           HG2      ARG  67  -5.075 -13.178  -6.164
  482    HG3  ARG  67           HG1      ARG  67  -5.435 -12.202  -4.737
  483    HD2  ARG  67           HD2      ARG  67  -7.204 -11.049  -6.060
  484    HD3  ARG  67           HD1      ARG  67  -6.891 -12.178  -7.376
  485    HE   ARG  67           HE       ARG  67  -7.514 -13.456  -4.868
  486   HH11  ARG  67          HH11      ARG  67  -8.844 -12.031  -7.785
  487   HH12  ARG  67          HH12      ARG  67 -10.337 -12.924  -7.691
  488   HH21  ARG  67          HH21      ARG  67  -9.482 -14.588  -4.711
  489   HH22  ARG  67          HH22      ARG  67 -10.700 -14.378  -5.947
  490    H    VAL  68           HN       VAL  68  -2.133  -9.223  -4.655
  491    HA   VAL  68           HA       VAL  68  -1.443  -7.786  -7.113
  492    HB   VAL  68           HB       VAL  68  -1.230  -5.780  -5.789
  493   HG11  VAL  68          HG11      VAL  68  -3.722  -7.296  -5.025
  494   HG12  VAL  68          HG12      VAL  68  -3.472  -6.410  -6.528
  495   HG13  VAL  68          HG13      VAL  68  -3.526  -5.543  -4.993
  496   HG21  VAL  68          HG21      VAL  68  -1.658  -5.765  -3.369
  497   HG22  VAL  68          HG22      VAL  68  -0.237  -6.726  -3.774
  498   HG23  VAL  68          HG23      VAL  68  -1.760  -7.525  -3.382
  499    H    ASP  69           HN       ASP  69   0.595  -6.694  -7.305
  500    HA   ASP  69           HA       ASP  69   2.697  -7.480  -5.446
  501    HB2  ASP  69           HB2      ASP  69   4.181  -8.210  -7.158
  502    HB3  ASP  69           HB1      ASP  69   2.665  -9.044  -7.449
  503    H    THR  70           HN       THR  70   1.068  -5.103  -6.915
  504    HA   THR  70           HA       THR  70   3.362  -3.287  -6.978
  505    HB   THR  70           HB       THR  70   2.089  -2.224  -9.013
  506    HG1  THR  70           HG1      THR  70   1.416  -4.959  -9.402
  507   HG21  THR  70          HG21      THR  70   3.703  -4.760  -9.304
  508   HG22  THR  70          HG22      THR  70   4.364  -3.138  -9.091
  509   HG23  THR  70          HG23      THR  70   3.457  -3.535 -10.549
  510    HA   PRO  71           HA       PRO  71   0.940  -0.642  -4.343
  511    HB2  PRO  71           HB2      PRO  71   2.250   1.425  -6.061
  512    HB3  PRO  71           HB1      PRO  71   2.111   1.363  -4.301
  513    HG2  PRO  71           HG2      PRO  71   4.396   0.702  -5.439
  514    HG3  PRO  71           HG1      PRO  71   3.760  -0.296  -4.113
  515    HD2  PRO  71           HD2      PRO  71   3.762  -0.826  -7.057
  516    HD3  PRO  71           HD1      PRO  71   4.010  -1.953  -5.705
  517    H    ARG  72           HN       ARG  72   1.083   0.135  -7.818
  518    HA   ARG  72           HA       ARG  72  -1.024   1.931  -7.957
  519    HB2  ARG  72           HB2      ARG  72   0.606   1.277  -9.791
  520    HB3  ARG  72           HB1      ARG  72  -0.417  -0.122 -10.077
  521    HG2  ARG  72           HG2      ARG  72  -2.280   1.287 -10.643
  522    HG3  ARG  72           HG1      ARG  72  -1.353   2.730 -10.234
  523    HD2  ARG  72           HD2      ARG  72   0.289   2.052 -12.021
  524    HD3  ARG  72           HD1      ARG  72  -0.864   0.804 -12.500
  525    HE   ARG  72           HE       ARG  72  -2.324   3.096 -12.490
  526   HH11  ARG  72          HH11      ARG  72   0.673   2.161 -14.040
  527   HH12  ARG  72          HH12      ARG  72   0.403   3.157 -15.435
  528   HH21  ARG  72          HH21      ARG  72  -2.659   4.427 -14.292
  529   HH22  ARG  72          HH22      ARG  72  -1.478   4.454 -15.571
  530    H    GLU  73           HN       GLU  73  -1.144  -1.594  -8.446
  531    HA   GLU  73           HA       GLU  73  -3.932  -1.726  -8.848
  532    HB2  GLU  73           HB2      GLU  73  -1.936  -3.811  -7.967
  533    HB3  GLU  73           HB1      GLU  73  -3.622  -4.171  -8.312
  534    HG2  GLU  73           HG2      GLU  73  -1.646  -3.007 -10.263
  535    HG3  GLU  73           HG1      GLU  73  -2.172  -4.691 -10.202
  536    H    LEU  74           HN       LEU  74  -1.961  -1.741  -5.979
  537    HA   LEU  74           HA       LEU  74  -3.923  -2.712  -4.168
  538    HB2  LEU  74           HB2      LEU  74  -1.408  -2.617  -3.849
  539    HB3  LEU  74           HB1      LEU  74  -1.584  -0.903  -3.546
  540    HG   LEU  74           HG       LEU  74  -1.354  -2.407  -1.521
  541   HD11  LEU  74          HD11      LEU  74  -2.138  -0.110  -1.353
  542   HD12  LEU  74          HD12      LEU  74  -2.964  -1.156  -0.197
  543   HD13  LEU  74          HD13      LEU  74  -3.788  -0.644  -1.670
  544   HD21  LEU  74          HD21      LEU  74  -3.412  -3.507  -0.744
  545   HD22  LEU  74          HD22      LEU  74  -2.775  -4.225  -2.224
  546   HD23  LEU  74          HD23      LEU  74  -4.170  -3.146  -2.296
  547    H    LEU  75           HN       LEU  75  -2.909   0.520  -5.167
  548    HA   LEU  75           HA       LEU  75  -4.469   2.033  -3.414
  549    HB2  LEU  75           HB2      LEU  75  -2.612   2.851  -4.884
  550    HB3  LEU  75           HB1      LEU  75  -3.707   2.749  -6.244
  551    HG   LEU  75           HG       LEU  75  -4.402   4.474  -3.880
  552   HD11  LEU  75          HD11      LEU  75  -2.651   5.247  -6.214
  553   HD12  LEU  75          HD12      LEU  75  -2.143   5.116  -4.529
  554   HD13  LEU  75          HD13      LEU  75  -3.306   6.353  -5.005
  555   HD21  LEU  75          HD21      LEU  75  -6.124   4.068  -5.572
  556   HD22  LEU  75          HD22      LEU  75  -5.030   4.648  -6.829
  557   HD23  LEU  75          HD23      LEU  75  -5.604   5.754  -5.580
  558    H    ASP  76           HN       ASP  76  -5.189   1.119  -6.793
  559    HA   ASP  76           HA       ASP  76  -7.797   2.201  -6.773
  560    HB2  ASP  76           HB2      ASP  76  -6.353   0.284  -8.576
  561    HB3  ASP  76           HB1      ASP  76  -8.066   0.602  -8.808
  562    H    LEU  77           HN       LEU  77  -6.528  -0.865  -5.738
  563    HA   LEU  77           HA       LEU  77  -8.897  -2.387  -5.850
  564    HB2  LEU  77           HB2      LEU  77  -6.670  -3.369  -5.555
  565    HB3  LEU  77           HB1      LEU  77  -6.547  -2.635  -3.970
  566    HG   LEU  77           HG       LEU  77  -8.481  -4.020  -3.225
  567   HD11  LEU  77          HD11      LEU  77  -8.127  -5.394  -5.888
  568   HD12  LEU  77          HD12      LEU  77  -9.489  -4.367  -5.445
  569   HD13  LEU  77          HD13      LEU  77  -9.213  -5.884  -4.589
  570   HD21  LEU  77          HD21      LEU  77  -6.200  -4.725  -2.769
  571   HD22  LEU  77          HD22      LEU  77  -6.118  -5.527  -4.337
  572   HD23  LEU  77          HD23      LEU  77  -7.226  -6.121  -3.102
  573    H    ILE  78           HN       ILE  78  -7.428  -0.606  -3.137
  574    HA   ILE  78           HA       ILE  78  -9.518  -1.211  -1.315
  575    HB   ILE  78           HB       ILE  78  -7.465   1.011  -1.206
  576   HG12  ILE  78          HG12      ILE  78  -7.515  -1.756   0.032
  577   HG13  ILE  78          HG11      ILE  78  -6.476  -1.232  -1.289
  578   HG21  ILE  78          HG21      ILE  78  -7.945   1.058   1.209
  579   HG22  ILE  78          HG22      ILE  78  -9.255  -0.097   0.956
  580   HG23  ILE  78          HG23      ILE  78  -9.350   1.514   0.245
  581   HD11  ILE  78          HD11      ILE  78  -5.231  -1.296   0.761
  582   HD12  ILE  78          HD12      ILE  78  -6.404  -0.246   1.556
  583   HD13  ILE  78          HD13      ILE  78  -5.407   0.379   0.241
  584    H    ASN  79           HN       ASN  79  -8.822   1.618  -3.340
  585    HA   ASN  79           HA       ASN  79 -10.985   3.183  -2.410
  586    HB2  ASN  79           HB2      ASN  79  -9.250   3.287  -4.844
  587    HB3  ASN  79           HB1      ASN  79 -10.675   4.317  -4.745
  588   HD21  ASN  79          HD21      ASN  79  -7.830   4.971  -4.774
  589   HD22  ASN  79          HD22      ASN  79  -7.537   5.905  -3.355
  590    H    GLY  80           HN       GLY  80 -10.745   0.732  -4.918
  591    HA2  GLY  80           HA2      GLY  80 -13.221   1.189  -6.162
  592    HA3  GLY  80           HA1      GLY  80 -12.388  -0.356  -6.098
  593    H    ALA  81           HN       ALA  81 -12.377  -0.591  -3.244
  594    HA   ALA  81           HA       ALA  81 -15.002  -1.643  -2.807
  595    HB1  ALA  81           HB1      ALA  81 -14.155  -2.335  -0.645
  596    HB2  ALA  81           HB2      ALA  81 -12.735  -1.308  -0.842
  597    HB3  ALA  81           HB3      ALA  81 -12.972  -2.699  -1.902
  598    H    LEU  82           HN       LEU  82 -13.311   1.275  -1.950
  599    HA   LEU  82           HA       LEU  82 -15.152   2.157   0.044
  600    HB2  LEU  82           HB2      LEU  82 -13.101   3.642  -1.597
  601    HB3  LEU  82           HB1      LEU  82 -14.022   4.368  -0.291
  602    HG   LEU  82           HG       LEU  82 -12.105   2.051   0.004
  603   HD11  LEU  82          HD11      LEU  82 -10.694   3.671   1.184
  604   HD12  LEU  82          HD12      LEU  82 -11.829   4.954   0.765
  605   HD13  LEU  82          HD13      LEU  82 -10.937   4.115  -0.504
  606   HD21  LEU  82          HD21      LEU  82 -13.604   3.652   2.075
  607   HD22  LEU  82          HD22      LEU  82 -12.425   2.381   2.398
  608   HD23  LEU  82          HD23      LEU  82 -13.951   1.988   1.607
  609    H    ALA  83           HN       ALA  83 -14.736   2.821  -3.412
  610    HA   ALA  83           HA       ALA  83 -16.855   4.684  -3.643
  611    HB1  ALA  83           HB1      ALA  83 -16.720   4.217  -6.063
  612    HB2  ALA  83           HB2      ALA  83 -15.620   2.882  -5.722
  613    HB3  ALA  83           HB3      ALA  83 -15.142   4.536  -5.342
  614    H    GLU  84           HN       GLU  84 -16.787   1.277  -3.343
  615    HA   GLU  84           HA       GLU  84 -19.210   0.572  -4.591
  616    HB2  GLU  84           HB2      GLU  84 -17.448  -1.029  -3.892
  617    HB3  GLU  84           HB1      GLU  84 -17.852  -0.713  -2.212
  618    HG2  GLU  84           HG2      GLU  84 -18.848  -2.768  -2.837
  619    HG3  GLU  84           HG1      GLU  84 -20.133  -1.574  -2.662
  620    H    ALA  85           HN       ALA  85 -18.488   2.158  -1.630
  621    HA   ALA  85           HA       ALA  85 -21.274   1.868  -0.723
  622    HB1  ALA  85           HB1      ALA  85 -19.587   0.922   0.809
  623    HB2  ALA  85           HB2      ALA  85 -20.487   2.254   1.530
  624    HB3  ALA  85           HB3      ALA  85 -18.846   2.520   0.945
  625    H    ALA  86           HN       ALA  86 -20.002   3.851  -2.635
  626    HA   ALA  86           HA       ALA  86 -20.522   6.325  -1.119
  627    HB1  ALA  86           HB1      ALA  86 -19.179   7.497  -2.764
  628    HB2  ALA  86           HB2      ALA  86 -18.974   6.013  -3.693
  629    HB3  ALA  86           HB3      ALA  86 -18.259   6.154  -2.087
  630    H28  SXO  87          H28B      SXO  87   6.628 -11.493   5.204
  631   H28A  SXO  87          H28A      SXO  87   7.369 -12.323   6.575
  632    H30  SXO  87          H30A      SXO  87   5.009 -12.443   7.491
  633   H30A  SXO  87          H30C      SXO  87   4.520 -11.626   6.007
  634   H30B  SXO  87          H30B      SXO  87   3.736 -13.131   6.481
  635    H31  SXO  87          H31A      SXO  87   4.344 -14.356   4.383
  636   H31A  SXO  87          H31B      SXO  87   5.961 -14.137   3.716
  637   H31B  SXO  87          H31C      SXO  87   4.861 -12.763   3.830
  638    H32  SXO  87          H32A      SXO  87   6.047 -14.506   7.517
  639   HO33  SXO  87          H33A      SXO  87   7.263 -15.743   5.295
  640   HN36  SXO  87          H36A      SXO  87   3.553 -14.638   6.845
  641    H37  SXO  87          H37A      SXO  87   3.005 -17.419   6.067
  642   H37A  SXO  87          H37B      SXO  87   1.980 -16.401   7.079
  643    H38  SXO  87          H38B      SXO  87   0.937 -16.627   4.925
  644   H38A  SXO  87          H38A      SXO  87   2.429 -16.166   4.105
  645   HN41  SXO  87          H41A      SXO  87   1.139 -14.623   3.032
  646    H42  SXO  87          H42A      SXO  87  -0.349 -12.544   3.997
  647   H42A  SXO  87          H42B      SXO  87   1.321 -12.013   4.169
  648    H43  SXO  87          H43B      SXO  87   1.648 -12.512   1.734
  649   H43A  SXO  87          H43A      SXO  87  -0.096 -12.782   1.620
  650    H2   SXO  87           H2A      SXO  87   0.509  -9.074  -1.366
  651    H2A  SXO  87           H2B      SXO  87   1.623  -8.660  -0.060
  652    H3   SXO  87           H3B      SXO  87  -1.380  -8.519   0.128
  653    H3A  SXO  87           H3A      SXO  87  -0.220  -8.028   1.366
  654    H4   SXO  87           H4A      SXO  87  -0.498  -6.806  -1.382
  655    H4A  SXO  87           H4B      SXO  87   0.660  -6.312  -0.145
  656    H5   SXO  87           H5B      SXO  87  -1.379  -4.870  -0.283
  657    H5A  SXO  87           H5A      SXO  87  -2.333  -6.264   0.222
  658    H6   SXO  87           H6A      SXO  87  -0.898  -6.378   2.283
  659    H6A  SXO  87           H6B      SXO  87  -1.918  -4.944   2.165
  660    H7   SXO  87           H7A      SXO  87   0.997  -5.035   1.385
  661    H7A  SXO  87           H7B      SXO  87   0.380  -4.434   2.933
  662    H8   SXO  87           H8C      SXO  87  -0.909  -2.724   1.747
  663    H8A  SXO  87           H8A      SXO  87  -0.301  -3.334   0.207
  664    H8B  SXO  87           H8B      SXO  87   0.809  -2.606   1.365
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -15.947  16.780  -0.200
    2    H2   MET   1           HT2      MET   1 -14.685  15.786   0.346
    3    H3   MET   1           HT3      MET   1 -15.514  16.784   1.441
    4    HA   MET   1           HA       MET   1 -17.506  15.536   1.216
    5    HB2  MET   1           HB2      MET   1 -17.269  15.023  -1.181
    6    HB3  MET   1           HB1      MET   1 -15.954  13.914  -0.815
    7    HG2  MET   1           HG2      MET   1 -17.558  12.573   0.540
    8    HG3  MET   1           HG1      MET   1 -18.847  13.616  -0.053
    9    HE1  MET   1           HE1      MET   1 -16.266  10.934  -2.788
   10    HE2  MET   1           HE2      MET   1 -16.165  10.873  -1.029
   11    HE3  MET   1           HE3      MET   1 -15.649  12.321  -1.894
   12    H    ALA   2           HN       ALA   2 -14.676  13.506   0.580
   13    HA   ALA   2           HA       ALA   2 -14.265  12.804   3.317
   14    HB1  ALA   2           HB1      ALA   2 -14.883  10.441   3.143
   15    HB2  ALA   2           HB2      ALA   2 -15.503  10.714   1.516
   16    HB3  ALA   2           HB3      ALA   2 -16.291  11.477   2.897
   17    H    THR   3           HN       THR   3 -12.150  12.420   3.454
   18    HA   THR   3           HA       THR   3 -10.576  12.245   1.081
   19    HB   THR   3           HB       THR   3  -8.713  11.880   2.886
   20    HG1  THR   3           HG1      THR   3  -9.991  11.425   4.658
   21   HG21  THR   3          HG21      THR   3  -8.652  14.303   3.300
   22   HG22  THR   3          HG22      THR   3 -10.308  14.442   2.709
   23   HG23  THR   3          HG23      THR   3  -9.019  13.939   1.615
   24    H    LEU   4           HN       LEU   4 -10.670  10.418  -0.024
   25    HA   LEU   4           HA       LEU   4 -10.660   7.811   1.177
   26    HB2  LEU   4           HB2      LEU   4 -10.136   8.628  -1.687
   27    HB3  LEU   4           HB1      LEU   4 -10.471   7.002  -1.126
   28    HG   LEU   4           HG       LEU   4 -12.412   9.305  -0.980
   29   HD11  LEU   4          HD11      LEU   4 -12.253   6.994  -2.906
   30   HD12  LEU   4          HD12      LEU   4 -12.008   8.700  -3.282
   31   HD13  LEU   4          HD13      LEU   4 -13.600   8.124  -2.785
   32   HD21  LEU   4          HD21      LEU   4 -14.059   7.590  -0.431
   33   HD22  LEU   4          HD22      LEU   4 -12.759   7.620   0.761
   34   HD23  LEU   4          HD23      LEU   4 -12.798   6.357  -0.469
   35    H    LEU   5           HN       LEU   5  -8.897   6.289  -0.066
   36    HA   LEU   5           HA       LEU   5  -6.347   7.176   0.961
   37    HB2  LEU   5           HB2      LEU   5  -7.409   4.737   0.827
   38    HB3  LEU   5           HB1      LEU   5  -6.646   4.735  -0.751
   39    HG   LEU   5           HG       LEU   5  -5.204   5.162   1.872
   40   HD11  LEU   5          HD11      LEU   5  -4.296   2.931   1.517
   41   HD12  LEU   5          HD12      LEU   5  -5.308   2.743   0.085
   42   HD13  LEU   5          HD13      LEU   5  -6.054   2.899   1.675
   43   HD21  LEU   5          HD21      LEU   5  -3.162   4.913   0.585
   44   HD22  LEU   5          HD22      LEU   5  -4.107   6.269  -0.028
   45   HD23  LEU   5          HD23      LEU   5  -4.094   4.737  -0.903
   46    H    THR   6           HN       THR   6  -4.935   8.323  -0.210
   47    HA   THR   6           HA       THR   6  -5.191   8.234  -3.139
   48    HB   THR   6           HB       THR   6  -6.027  10.381  -2.298
   49    HG1  THR   6           HG1      THR   6  -3.734  11.422  -3.324
   50   HG21  THR   6          HG21      THR   6  -4.557  11.960  -1.165
   51   HG22  THR   6          HG22      THR   6  -3.267  10.761  -1.141
   52   HG23  THR   6          HG23      THR   6  -4.742  10.487  -0.215
   53    H    THR   7           HN       THR   7  -3.207   8.790  -4.299
   54    HA   THR   7           HA       THR   7  -1.093   7.141  -3.595
   55    HB   THR   7           HB       THR   7  -0.761   9.526  -5.396
   56    HG1  THR   7           HG1      THR   7  -1.657   7.384  -6.745
   57   HG21  THR   7          HG21      THR   7   0.252   6.690  -5.526
   58   HG22  THR   7          HG22      THR   7   1.189   8.106  -5.051
   59   HG23  THR   7          HG23      THR   7   0.590   7.960  -6.702
   60    H    ASP   8           HN       ASP   8  -1.610  10.544  -2.943
   61    HA   ASP   8           HA       ASP   8   0.956  11.347  -2.176
   62    HB2  ASP   8           HB2      ASP   8  -1.576  12.268  -0.818
   63    HB3  ASP   8           HB1      ASP   8  -0.101  13.183  -1.095
   64    H    ASP   9           HN       ASP   9  -1.730  10.407  -0.069
   65    HA   ASP   9           HA       ASP   9  -0.177  10.232   2.278
   66    HB2  ASP   9           HB2      ASP   9  -2.932   9.242   1.571
   67    HB3  ASP   9           HB1      ASP   9  -2.231   9.012   3.171
   68    H    LEU  10           HN       LEU  10  -1.019   7.914  -0.193
   69    HA   LEU  10           HA       LEU  10  -0.294   5.559   1.156
   70    HB2  LEU  10           HB2      LEU  10  -1.447   5.648  -1.047
   71    HB3  LEU  10           HB1      LEU  10   0.047   6.193  -1.782
   72    HG   LEU  10           HG       LEU  10   1.116   4.039  -1.124
   73   HD11  LEU  10          HD11      LEU  10  -1.687   3.319  -0.285
   74   HD12  LEU  10          HD12      LEU  10  -0.282   3.470   0.768
   75   HD13  LEU  10          HD13      LEU  10  -0.345   2.186  -0.438
   76   HD21  LEU  10          HD21      LEU  10  -0.020   2.680  -2.811
   77   HD22  LEU  10          HD22      LEU  10   0.185   4.341  -3.364
   78   HD23  LEU  10          HD23      LEU  10  -1.390   3.789  -2.792
   79    H    ARG  11           HN       ARG  11   1.593   7.827  -0.793
   80    HA   ARG  11           HA       ARG  11   4.082   6.604  -0.678
   81    HB2  ARG  11           HB2      ARG  11   3.622   8.506  -2.119
   82    HB3  ARG  11           HB1      ARG  11   3.372   9.543  -0.725
   83    HG2  ARG  11           HG2      ARG  11   5.672   9.501  -0.164
   84    HG3  ARG  11           HG1      ARG  11   5.993   8.187  -1.298
   85    HD2  ARG  11           HD2      ARG  11   6.769  10.297  -2.206
   86    HD3  ARG  11           HD1      ARG  11   5.430   9.668  -3.165
   87    HE   ARG  11           HE       ARG  11   4.221  11.347  -1.409
   88   HH11  ARG  11          HH11      ARG  11   6.871  11.690  -3.663
   89   HH12  ARG  11          HH12      ARG  11   6.581  13.378  -3.955
   90   HH21  ARG  11          HH21      ARG  11   3.783  13.571  -1.839
   91   HH22  ARG  11          HH22      ARG  11   4.835  14.441  -2.913
   92    H    ARG  12           HN       ARG  12   2.397   8.506   1.729
   93    HA   ARG  12           HA       ARG  12   4.662   8.766   3.476
   94    HB2  ARG  12           HB2      ARG  12   1.752   9.398   3.671
   95    HB3  ARG  12           HB1      ARG  12   2.717   9.343   5.139
   96    HG2  ARG  12           HG2      ARG  12   3.352  11.050   2.744
   97    HG3  ARG  12           HG1      ARG  12   2.492  11.604   4.181
   98    HD2  ARG  12           HD2      ARG  12   5.296  10.495   4.117
   99    HD3  ARG  12           HD1      ARG  12   4.862  12.195   4.282
  100    HE   ARG  12           HE       ARG  12   3.569  11.125   6.356
  101   HH11  ARG  12          HH11      ARG  12   6.845  10.659   5.243
  102   HH12  ARG  12          HH12      ARG  12   7.495  10.392   6.833
  103   HH21  ARG  12          HH21      ARG  12   4.390  10.785   8.452
  104   HH22  ARG  12          HH22      ARG  12   6.085  10.456   8.659
  105    H    ALA  13           HN       ALA  13   1.853   6.636   3.273
  106    HA   ALA  13           HA       ALA  13   2.043   5.481   5.817
  107    HB1  ALA  13           HB1      ALA  13   0.613   3.706   4.924
  108    HB2  ALA  13           HB2      ALA  13   0.911   4.293   3.287
  109    HB3  ALA  13           HB3      ALA  13   0.048   5.307   4.446
  110    H    LEU  14           HN       LEU  14   3.546   4.548   2.763
  111    HA   LEU  14           HA       LEU  14   4.623   2.094   3.627
  112    HB2  LEU  14           HB2      LEU  14   5.280   3.999   1.424
  113    HB3  LEU  14           HB1      LEU  14   6.406   2.712   1.792
  114    HG   LEU  14           HG       LEU  14   4.951   2.073  -0.051
  115   HD11  LEU  14          HD11      LEU  14   5.728   0.304   1.388
  116   HD12  LEU  14          HD12      LEU  14   4.086  -0.043   0.847
  117   HD13  LEU  14          HD13      LEU  14   4.369   0.556   2.482
  118   HD21  LEU  14          HD21      LEU  14   3.010   3.447   0.511
  119   HD22  LEU  14          HD22      LEU  14   2.671   2.402   1.892
  120   HD23  LEU  14          HD23      LEU  14   2.560   1.761   0.252
  121    H    VAL  15           HN       VAL  15   5.816   5.404   3.845
  122    HA   VAL  15           HA       VAL  15   8.360   4.676   4.937
  123    HB   VAL  15           HB       VAL  15   6.909   7.328   5.123
  124   HG11  VAL  15          HG11      VAL  15   8.672   7.104   6.797
  125   HG12  VAL  15          HG12      VAL  15   9.150   8.257   5.548
  126   HG13  VAL  15          HG13      VAL  15   9.816   6.623   5.545
  127   HG21  VAL  15          HG21      VAL  15   8.992   6.388   3.144
  128   HG22  VAL  15          HG22      VAL  15   8.302   8.009   3.234
  129   HG23  VAL  15          HG23      VAL  15   7.278   6.641   2.797
  130    H    GLU  16           HN       GLU  16   5.228   5.617   6.246
  131    HA   GLU  16           HA       GLU  16   5.960   5.863   8.943
  132    HB2  GLU  16           HB2      GLU  16   3.331   5.099   7.671
  133    HB3  GLU  16           HB1      GLU  16   3.522   5.453   9.383
  134    HG2  GLU  16           HG2      GLU  16   4.167   7.714   8.901
  135    HG3  GLU  16           HG1      GLU  16   4.174   7.387   7.170
  136    H    SER  17           HN       SER  17   4.992   3.032   7.040
  137    HA   SER  17           HA       SER  17   4.958   1.303   9.335
  138    HB2  SER  17           HB2      SER  17   4.810  -0.507   7.565
  139    HB3  SER  17           HB1      SER  17   3.523   0.697   7.540
  140    HG   SER  17           HG       SER  17   4.567   0.124   5.456
  141    H    ALA  18           HN       ALA  18   7.239   1.988   6.719
  142    HA   ALA  18           HA       ALA  18   9.133   0.016   7.458
  143    HB1  ALA  18           HB1      ALA  18   9.575   2.587   5.942
  144    HB2  ALA  18           HB2      ALA  18   9.104   1.040   5.237
  145    HB3  ALA  18           HB3      ALA  18  10.682   1.217   6.006
  146    H    GLY  19           HN       GLY  19   9.171   3.550   7.947
  147    HA2  GLY  19           HA2      GLY  19   9.800   4.676   9.891
  148    HA3  GLY  19           HA1      GLY  19  10.391   3.163  10.557
  149    H    GLU  20           HN       GLU  20  11.816   2.885   7.802
  150    HA   GLU  20           HA       GLU  20  14.233   4.247   8.710
  151    HB2  GLU  20           HB2      GLU  20  14.323   1.809   8.235
  152    HB3  GLU  20           HB1      GLU  20  13.917   2.143   6.556
  153    HG2  GLU  20           HG2      GLU  20  16.313   1.761   6.881
  154    HG3  GLU  20           HG1      GLU  20  15.972   3.380   6.267
  155    H    THR  21           HN       THR  21  15.461   5.570   7.343
  156    HA   THR  21           HA       THR  21  14.009   6.653   5.011
  157    HB   THR  21           HB       THR  21  15.538   8.535   6.741
  158    HG1  THR  21           HG1      THR  21  14.309   7.477   8.308
  159   HG21  THR  21          HG21      THR  21  14.511   9.325   4.685
  160   HG22  THR  21          HG22      THR  21  13.711  10.052   6.077
  161   HG23  THR  21          HG23      THR  21  12.939   8.723   5.215
  162    H    ASP  22           HN       ASP  22  16.303   4.822   5.179
  163    HA   ASP  22           HA       ASP  22  18.623   6.456   4.576
  164    HB2  ASP  22           HB2      ASP  22  18.730   4.344   5.968
  165    HB3  ASP  22           HB1      ASP  22  18.454   3.442   4.479
  166    H    GLY  23           HN       GLY  23  17.297   3.588   2.904
  167    HA2  GLY  23           HA2      GLY  23  17.986   4.946   0.368
  168    HA3  GLY  23           HA1      GLY  23  18.013   3.203   0.594
  169    H    THR  24           HN       THR  24  15.415   4.127   2.261
  170    HA   THR  24           HA       THR  24  13.630   3.339   0.118
  171    HB   THR  24           HB       THR  24  11.954   3.559   2.156
  172    HG1  THR  24           HG1      THR  24  13.010   4.175   3.889
  173   HG21  THR  24          HG21      THR  24  12.482   1.237   2.773
  174   HG22  THR  24          HG22      THR  24  14.022   1.368   1.924
  175   HG23  THR  24          HG23      THR  24  12.508   1.463   1.024
  176    H    ASP  25           HN       ASP  25  14.109   5.513  -0.952
  177    HA   ASP  25           HA       ASP  25  12.304   7.570   0.112
  178    HB2  ASP  25           HB2      ASP  25  13.421   9.197  -1.151
  179    HB3  ASP  25           HB1      ASP  25  14.726   8.140  -0.631
  180    H    LEU  26           HN       LEU  26  10.449   8.031  -0.863
  181    HA   LEU  26           HA       LEU  26   9.811   6.568  -3.325
  182    HB2  LEU  26           HB2      LEU  26   8.200   7.402  -0.950
  183    HB3  LEU  26           HB1      LEU  26   7.391   7.266  -2.497
  184    HG   LEU  26           HG       LEU  26   8.062   4.900  -2.643
  185   HD11  LEU  26          HD11      LEU  26  10.105   4.925  -1.346
  186   HD12  LEU  26          HD12      LEU  26   8.969   3.765  -0.660
  187   HD13  LEU  26          HD13      LEU  26   9.204   5.332   0.116
  188   HD21  LEU  26          HD21      LEU  26   5.903   5.473  -1.693
  189   HD22  LEU  26          HD22      LEU  26   6.630   5.644  -0.095
  190   HD23  LEU  26          HD23      LEU  26   6.579   4.064  -0.877
  191    H    SER  27           HN       SER  27  11.294   8.888  -3.573
  192    HA   SER  27           HA       SER  27   9.648  11.181  -3.996
  193    HB2  SER  27           HB2      SER  27  12.086  11.313  -3.520
  194    HB3  SER  27           HB1      SER  27  12.415  10.589  -5.090
  195    HG   SER  27           HG       SER  27  12.372  12.547  -5.816
  196    H    GLY  28           HN       GLY  28  10.553   8.431  -5.911
  197    HA2  GLY  28           HA2      GLY  28   9.292   9.628  -8.282
  198    HA3  GLY  28           HA1      GLY  28  10.335   8.211  -8.294
  199    H    ASP  29           HN       ASP  29   8.585   7.253  -9.560
  200    HA   ASP  29           HA       ASP  29   6.065   6.728  -8.241
  201    HB2  ASP  29           HB2      ASP  29   6.117   7.042 -10.686
  202    HB3  ASP  29           HB1      ASP  29   7.168   5.637 -10.847
  203    H    PHE  30           HN       PHE  30   5.562   4.993  -7.092
  204    HA   PHE  30           HA       PHE  30   7.462   2.752  -7.058
  205    HB2  PHE  30           HB2      PHE  30   6.680   2.367  -4.701
  206    HB3  PHE  30           HB1      PHE  30   7.553   3.875  -4.941
  207    HD1  PHE  30           HD2      PHE  30   6.306   6.023  -4.991
  208    HD2  PHE  30           HD1      PHE  30   4.424   2.338  -3.979
  209    HE1  PHE  30           HE2      PHE  30   4.433   7.256  -3.990
  210    HE2  PHE  30           HE1      PHE  30   2.548   3.573  -2.974
  211    HZ   PHE  30           HZ       PHE  30   2.554   6.044  -2.986
  212    H    LEU  31           HN       LEU  31   4.210   3.731  -7.520
  213    HA   LEU  31           HA       LEU  31   2.828   1.398  -6.814
  214    HB2  LEU  31           HB2      LEU  31   2.102   3.413  -8.926
  215    HB3  LEU  31           HB1      LEU  31   1.017   2.212  -8.255
  216    HG   LEU  31           HG       LEU  31   1.860   3.518  -6.005
  217   HD11  LEU  31          HD11      LEU  31   3.070   5.183  -7.282
  218   HD12  LEU  31          HD12      LEU  31   1.665   5.918  -6.509
  219   HD13  LEU  31          HD13      LEU  31   1.624   5.538  -8.229
  220   HD21  LEU  31          HD21      LEU  31  -0.354   4.555  -6.038
  221   HD22  LEU  31          HD22      LEU  31  -0.426   2.874  -6.569
  222   HD23  LEU  31          HD23      LEU  31  -0.510   4.177  -7.754
  223    H    ASP  32           HN       ASP  32   4.683   2.167  -9.671
  224    HA   ASP  32           HA       ASP  32   3.452   0.009 -11.199
  225    HB2  ASP  32           HB2      ASP  32   4.033   2.214 -12.232
  226    HB3  ASP  32           HB1      ASP  32   5.731   1.843 -11.968
  227    H    LEU  33           HN       LEU  33   6.165   0.535  -9.201
  228    HA   LEU  33           HA       LEU  33   7.639  -1.750 -10.234
  229    HB2  LEU  33           HB2      LEU  33   8.206  -0.002  -7.837
  230    HB3  LEU  33           HB1      LEU  33   9.288  -1.202  -8.514
  231    HG   LEU  33           HG       LEU  33   8.398   1.338  -9.887
  232   HD11  LEU  33          HD11      LEU  33  11.036   0.555  -8.653
  233   HD12  LEU  33          HD12      LEU  33   9.927   1.795  -8.069
  234   HD13  LEU  33          HD13      LEU  33  10.751   2.006  -9.614
  235   HD21  LEU  33          HD21      LEU  33  10.036   0.750 -11.600
  236   HD22  LEU  33          HD22      LEU  33   8.782  -0.486 -11.468
  237   HD23  LEU  33          HD23      LEU  33  10.374  -0.765 -10.762
  238    H    ARG  34           HN       ARG  34   8.054  -3.643  -8.936
  239    HA   ARG  34           HA       ARG  34   5.789  -4.446  -7.376
  240    HB2  ARG  34           HB2      ARG  34   8.445  -5.856  -7.726
  241    HB3  ARG  34           HB1      ARG  34   6.967  -6.568  -7.092
  242    HG2  ARG  34           HG2      ARG  34   5.876  -6.203  -9.259
  243    HG3  ARG  34           HG1      ARG  34   7.386  -5.535  -9.887
  244    HD2  ARG  34           HD2      ARG  34   8.460  -7.744  -9.229
  245    HD3  ARG  34           HD1      ARG  34   6.818  -8.353  -8.998
  246    HE   ARG  34           HE       ARG  34   6.870  -7.224 -11.521
  247   HH11  ARG  34          HH11      ARG  34   8.436  -9.864  -9.839
  248   HH12  ARG  34          HH12      ARG  34   8.786 -10.747 -11.289
  249   HH21  ARG  34          HH21      ARG  34   7.377  -8.344 -13.431
  250   HH22  ARG  34          HH22      ARG  34   8.196  -9.875 -13.348
  251    H    PHE  35           HN       PHE  35   5.839  -5.147  -5.153
  252    HA   PHE  35           HA       PHE  35   6.873  -3.244  -3.405
  253    HB2  PHE  35           HB2      PHE  35   5.972  -6.072  -2.841
  254    HB3  PHE  35           HB1      PHE  35   6.292  -4.866  -1.595
  255    HD1  PHE  35           HD2      PHE  35   4.954  -2.700  -1.688
  256    HD2  PHE  35           HD1      PHE  35   3.884  -6.216  -3.829
  257    HE1  PHE  35           HE2      PHE  35   2.651  -1.868  -1.899
  258    HE2  PHE  35           HE1      PHE  35   1.577  -5.389  -4.049
  259    HZ   PHE  35           HZ       PHE  35   0.960  -3.212  -3.079
  260    H    GLU  36           HN       GLU  36   8.027  -6.569  -3.952
  261    HA   GLU  36           HA       GLU  36  10.248  -6.440  -2.236
  262    HB2  GLU  36           HB2      GLU  36  10.382  -8.052  -4.758
  263    HB3  GLU  36           HB1      GLU  36  10.933  -8.467  -3.142
  264    HG2  GLU  36           HG2      GLU  36   9.120  -9.846  -3.401
  265    HG3  GLU  36           HG1      GLU  36   8.402  -8.473  -2.561
  266    H    ASP  37           HN       ASP  37   9.700  -5.024  -5.293
  267    HA   ASP  37           HA       ASP  37  12.472  -4.928  -6.114
  268    HB2  ASP  37           HB2      ASP  37  10.283  -5.073  -7.575
  269    HB3  ASP  37           HB1      ASP  37  10.288  -3.324  -7.400
  270    H    ILE  38           HN       ILE  38  10.069  -2.816  -4.655
  271    HA   ILE  38           HA       ILE  38  11.958  -0.595  -4.598
  272    HB   ILE  38           HB       ILE  38  10.114   0.603  -3.357
  273   HG12  ILE  38          HG12      ILE  38   8.533  -1.835  -4.201
  274   HG13  ILE  38          HG11      ILE  38   8.907  -1.364  -2.544
  275   HG21  ILE  38          HG21      ILE  38   9.474  -0.423  -6.114
  276   HG22  ILE  38          HG22      ILE  38  10.554   0.919  -5.735
  277   HG23  ILE  38          HG23      ILE  38   8.834   1.043  -5.373
  278   HD11  ILE  38          HD11      ILE  38   6.622  -0.787  -3.141
  279   HD12  ILE  38          HD12      ILE  38   7.212   0.194  -4.483
  280   HD13  ILE  38          HD13      ILE  38   7.580   0.660  -2.824
  281    H    GLY  39           HN       GLY  39  11.997  -3.261  -2.959
  282    HA2  GLY  39           HA2      GLY  39  13.328  -3.690  -1.099
  283    HA3  GLY  39           HA1      GLY  39  13.311  -1.975  -0.728
  284    H    TYR  40           HN       TYR  40  10.241  -3.464  -1.232
  285    HA   TYR  40           HA       TYR  40   9.840  -3.484   1.679
  286    HB2  TYR  40           HB2      TYR  40   7.949  -2.924  -0.589
  287    HB3  TYR  40           HB1      TYR  40   7.345  -3.417   0.991
  288    HD1  TYR  40           HD2      TYR  40   7.641  -1.955   2.944
  289    HD2  TYR  40           HD1      TYR  40   8.918  -0.760  -0.933
  290    HE1  TYR  40           HE2      TYR  40   7.779   0.377   3.713
  291    HE2  TYR  40           HE1      TYR  40   9.060   1.569  -0.178
  292    HH   TYR  40           HH       TYR  40   8.262   3.012   1.528
  293    H    ASP  41           HN       ASP  41  10.149  -5.438   2.419
  294    HA   ASP  41           HA       ASP  41   9.555  -7.756   0.768
  295    HB2  ASP  41           HB2      ASP  41  11.657  -7.294   2.315
  296    HB3  ASP  41           HB1      ASP  41  10.617  -8.007   3.546
  297    H    SER  42           HN       SER  42   8.941  -9.686   2.594
  298    HA   SER  42           HA       SER  42   6.175  -9.592   2.595
  299    HB2  SER  42           HB2      SER  42   6.307 -11.590   4.072
  300    HB3  SER  42           HB1      SER  42   7.434 -11.680   2.713
  301    H    LEU  43           HN       LEU  43   8.312  -9.237   5.411
  302    HA   LEU  43           HA       LEU  43   6.287  -8.846   7.306
  303    HB2  LEU  43           HB2      LEU  43   8.589  -9.461   7.878
  304    HB3  LEU  43           HB1      LEU  43   9.146  -7.880   7.369
  305    HG   LEU  43           HG       LEU  43   7.805  -6.853   9.185
  306   HD11  LEU  43          HD11      LEU  43   6.866  -8.275  10.934
  307   HD12  LEU  43          HD12      LEU  43   7.319  -9.714  10.019
  308   HD13  LEU  43          HD13      LEU  43   6.104  -8.609   9.378
  309   HD21  LEU  43          HD21      LEU  43   9.753  -8.984  10.069
  310   HD22  LEU  43          HD22      LEU  43   9.252  -7.585  11.020
  311   HD23  LEU  43          HD23      LEU  43  10.167  -7.355   9.529
  312    H    ALA  44           HN       ALA  44   8.214  -6.481   5.499
  313    HA   ALA  44           HA       ALA  44   7.193  -4.192   6.784
  314    HB1  ALA  44           HB1      ALA  44   9.257  -4.190   5.451
  315    HB2  ALA  44           HB2      ALA  44   8.126  -2.944   4.922
  316    HB3  ALA  44           HB3      ALA  44   8.298  -4.430   3.989
  317    H    LEU  45           HN       LEU  45   6.108  -6.046   4.014
  318    HA   LEU  45           HA       LEU  45   4.205  -4.174   3.079
  319    HB2  LEU  45           HB2      LEU  45   5.113  -5.990   1.691
  320    HB3  LEU  45           HB1      LEU  45   4.293  -7.172   2.698
  321    HG   LEU  45           HG       LEU  45   2.119  -6.231   2.007
  322   HD11  LEU  45          HD11      LEU  45   2.038  -4.657   0.134
  323   HD12  LEU  45          HD12      LEU  45   3.795  -4.501   0.199
  324   HD13  LEU  45          HD13      LEU  45   2.807  -3.955   1.557
  325   HD21  LEU  45          HD21      LEU  45   3.103  -8.123   0.798
  326   HD22  LEU  45          HD22      LEU  45   3.891  -6.997  -0.309
  327   HD23  LEU  45          HD23      LEU  45   2.130  -7.099  -0.257
  328    H    MET  46           HN       MET  46   3.919  -7.018   5.211
  329    HA   MET  46           HA       MET  46   1.097  -6.851   5.396
  330    HB2  MET  46           HB2      MET  46   1.260  -8.481   7.195
  331    HB3  MET  46           HB1      MET  46   2.288  -8.940   5.847
  332    HG2  MET  46           HG2      MET  46   3.644  -9.402   7.633
  333    HG3  MET  46           HG1      MET  46   4.156  -7.768   7.233
  334    HE1  MET  46           HE1      MET  46   1.334  -8.798  10.741
  335    HE2  MET  46           HE2      MET  46   2.052 -10.004   9.676
  336    HE3  MET  46           HE3      MET  46   0.838  -8.887   9.049
  337    H    GLU  47           HN       GLU  47   3.696  -5.452   7.333
  338    HA   GLU  47           HA       GLU  47   2.020  -4.423   9.363
  339    HB2  GLU  47           HB2      GLU  47   4.719  -3.527   8.357
  340    HB3  GLU  47           HB1      GLU  47   3.908  -2.774   9.726
  341    HG2  GLU  47           HG2      GLU  47   3.845  -5.026  10.814
  342    HG3  GLU  47           HG1      GLU  47   4.859  -5.619   9.498
  343    H    THR  48           HN       THR  48   2.947  -3.242   6.206
  344    HA   THR  48           HA       THR  48   1.951  -0.618   6.431
  345    HB   THR  48           HB       THR  48   2.159  -2.312   3.930
  346    HG1  THR  48           HG1      THR  48   4.204  -2.182   4.806
  347   HG21  THR  48          HG21      THR  48   0.796  -0.312   3.609
  348   HG22  THR  48          HG22      THR  48   2.348  -0.140   2.787
  349   HG23  THR  48          HG23      THR  48   2.067   0.680   4.324
  350    H    ALA  49           HN       ALA  49   0.398  -3.676   5.672
  351    HA   ALA  49           HA       ALA  49  -2.070  -2.779   4.743
  352    HB1  ALA  49           HB1      ALA  49  -2.973  -4.906   5.519
  353    HB2  ALA  49           HB2      ALA  49  -1.539  -5.168   6.511
  354    HB3  ALA  49           HB3      ALA  49  -1.402  -5.138   4.754
  355    H    ALA  50           HN       ALA  50  -1.003  -3.373   8.076
  356    HA   ALA  50           HA       ALA  50  -3.411  -2.628   9.341
  357    HB1  ALA  50           HB1      ALA  50  -2.087  -2.504  11.386
  358    HB2  ALA  50           HB2      ALA  50  -0.601  -2.566  10.438
  359    HB3  ALA  50           HB3      ALA  50  -1.690  -3.952  10.463
  360    H    ARG  51           HN       ARG  51  -0.781  -0.828   8.031
  361    HA   ARG  51           HA       ARG  51  -1.262   1.596   9.454
  362    HB2  ARG  51           HB2      ARG  51   0.227   1.037   6.889
  363    HB3  ARG  51           HB1      ARG  51   0.168   2.610   7.658
  364    HG2  ARG  51           HG2      ARG  51   1.252   0.134   8.970
  365    HG3  ARG  51           HG1      ARG  51   2.236   1.317   8.115
  366    HD2  ARG  51           HD2      ARG  51   2.372   1.810  10.444
  367    HD3  ARG  51           HD1      ARG  51   1.382   3.059   9.693
  368    HE   ARG  51           HE       ARG  51  -0.028   0.812  10.891
  369   HH11  ARG  51          HH11      ARG  51   1.056   4.109  11.158
  370   HH12  ARG  51          HH12      ARG  51  -0.003   4.508  12.474
  371   HH21  ARG  51          HH21      ARG  51  -1.482   1.330  12.609
  372   HH22  ARG  51          HH22      ARG  51  -1.466   2.927  13.286
  373    H    LEU  52           HN       LEU  52  -2.385   0.239   6.403
  374    HA   LEU  52           HA       LEU  52  -3.732   2.687   5.651
  375    HB2  LEU  52           HB2      LEU  52  -3.904  -0.070   4.435
  376    HB3  LEU  52           HB1      LEU  52  -4.547   1.401   3.732
  377    HG   LEU  52           HG       LEU  52  -1.614   0.891   4.240
  378   HD11  LEU  52          HD11      LEU  52  -1.435   0.634   1.820
  379   HD12  LEU  52          HD12      LEU  52  -3.183   0.791   1.664
  380   HD13  LEU  52          HD13      LEU  52  -2.494  -0.594   2.511
  381   HD21  LEU  52          HD21      LEU  52  -3.029   3.092   2.742
  382   HD22  LEU  52          HD22      LEU  52  -1.282   2.876   2.856
  383   HD23  LEU  52          HD23      LEU  52  -2.221   3.252   4.301
  384    H    GLU  53           HN       GLU  53  -4.701  -0.556   6.747
  385    HA   GLU  53           HA       GLU  53  -7.457  -0.223   6.428
  386    HB2  GLU  53           HB2      GLU  53  -5.934  -2.013   8.328
  387    HB3  GLU  53           HB1      GLU  53  -7.671  -2.104   8.075
  388    HG2  GLU  53           HG2      GLU  53  -7.287  -2.588   5.703
  389    HG3  GLU  53           HG1      GLU  53  -5.548  -2.553   5.993
  390    H    SER  54           HN       SER  54  -5.552   0.064   9.433
  391    HA   SER  54           HA       SER  54  -7.735   0.877  11.026
  392    HB2  SER  54           HB2      SER  54  -4.788   1.375  11.492
  393    HB3  SER  54           HB1      SER  54  -6.059   1.400  12.716
  394    HG   SER  54           HG       SER  54  -6.435  -0.850  12.120
  395    H    ARG  55           HN       ARG  55  -5.814   2.576   8.776
  396    HA   ARG  55           HA       ARG  55  -6.059   5.174  10.006
  397    HB2  ARG  55           HB2      ARG  55  -4.095   4.484   8.680
  398    HB3  ARG  55           HB1      ARG  55  -5.110   4.357   7.255
  399    HG2  ARG  55           HG2      ARG  55  -5.456   6.725   7.212
  400    HG3  ARG  55           HG1      ARG  55  -4.646   6.916   8.773
  401    HD2  ARG  55           HD2      ARG  55  -2.560   6.167   7.842
  402    HD3  ARG  55           HD1      ARG  55  -3.335   5.776   6.313
  403    HE   ARG  55           HE       ARG  55  -3.799   8.340   6.330
  404   HH11  ARG  55          HH11      ARG  55  -0.950   6.773   7.594
  405   HH12  ARG  55          HH12      ARG  55   0.146   8.024   7.088
  406   HH21  ARG  55          HH21      ARG  55  -2.362  10.011   5.641
  407   HH22  ARG  55          HH22      ARG  55  -0.667   9.855   5.983
  408    H    TYR  56           HN       TYR  56  -7.432   3.526   7.176
  409    HA   TYR  56           HA       TYR  56  -9.201   5.819   6.734
  410    HB2  TYR  56           HB2      TYR  56  -8.509   3.477   4.959
  411    HB3  TYR  56           HB1      TYR  56  -9.632   4.762   4.525
  412    HD1  TYR  56           HD2      TYR  56  -8.801   7.062   4.169
  413    HD2  TYR  56           HD1      TYR  56  -6.152   3.820   4.895
  414    HE1  TYR  56           HE2      TYR  56  -6.935   8.406   3.300
  415    HE2  TYR  56           HE1      TYR  56  -4.272   5.146   4.028
  416    HH   TYR  56           HH       TYR  56  -4.469   8.487   3.505
  417    H    GLY  57           HN       GLY  57  -9.265   2.795   8.190
  418    HA2  GLY  57           HA2      GLY  57 -11.039   1.699   9.199
  419    HA3  GLY  57           HA1      GLY  57 -12.109   2.944   8.569
  420    H    VAL  58           HN       VAL  58  -9.972   0.549   7.036
  421    HA   VAL  58           HA       VAL  58 -12.300  -0.397   5.495
  422    HB   VAL  58           HB       VAL  58 -10.811  -0.861   3.595
  423   HG11  VAL  58          HG11      VAL  58 -11.977   1.253   3.605
  424   HG12  VAL  58          HG12      VAL  58 -10.363   1.470   2.922
  425   HG13  VAL  58          HG13      VAL  58 -10.696   1.984   4.576
  426   HG21  VAL  58          HG21      VAL  58  -8.528   0.061   3.558
  427   HG22  VAL  58          HG22      VAL  58  -8.715  -1.195   4.783
  428   HG23  VAL  58          HG23      VAL  58  -8.693   0.503   5.256
  429    H    SER  59           HN       SER  59 -11.335  -2.557   4.269
  430    HA   SER  59           HA       SER  59  -9.816  -4.201   6.109
  431    HB2  SER  59           HB2      SER  59 -12.598  -4.956   5.155
  432    HB3  SER  59           HB1      SER  59 -11.513  -6.003   6.065
  433    HG   SER  59           HG       SER  59 -11.709  -3.736   7.412
  434    H    ILE  60           HN       ILE  60  -8.297  -5.134   4.908
  435    HA   ILE  60           HA       ILE  60  -8.650  -5.230   2.014
  436    HB   ILE  60           HB       ILE  60  -6.197  -5.796   3.684
  437   HG12  ILE  60          HG12      ILE  60  -6.975  -3.355   2.063
  438   HG13  ILE  60          HG11      ILE  60  -6.987  -3.456   3.821
  439   HG21  ILE  60          HG21      ILE  60  -4.980  -5.585   1.555
  440   HG22  ILE  60          HG22      ILE  60  -6.524  -5.468   0.707
  441   HG23  ILE  60          HG23      ILE  60  -6.095  -6.952   1.561
  442   HD11  ILE  60          HD11      ILE  60  -5.024  -2.286   3.026
  443   HD12  ILE  60          HD12      ILE  60  -4.562  -3.685   2.058
  444   HD13  ILE  60          HD13      ILE  60  -4.571  -3.795   3.818
  445    HA   PRO  61           HA       PRO  61  -9.906  -9.514   2.078
  446    HB2  PRO  61           HB2      PRO  61  -8.975  -9.352  -0.741
  447    HB3  PRO  61           HB1      PRO  61 -10.527  -9.896  -0.094
  448    HG2  PRO  61           HG2      PRO  61 -10.309  -7.525  -1.288
  449    HG3  PRO  61           HG1      PRO  61 -11.341  -7.738   0.139
  450    HD2  PRO  61           HD2      PRO  61  -8.634  -6.489  -0.078
  451    HD3  PRO  61           HD1      PRO  61 -10.022  -6.011   0.921
  452    H    ASP  62           HN       ASP  62  -8.812 -11.237   2.671
  453    HA   ASP  62           HA       ASP  62  -6.050 -11.259   2.998
  454    HB2  ASP  62           HB2      ASP  62  -7.280 -12.649   4.433
  455    HB3  ASP  62           HB1      ASP  62  -8.144 -13.417   3.108
  456    H    ASP  63           HN       ASP  63  -7.969 -13.025   0.546
  457    HA   ASP  63           HA       ASP  63  -5.571 -14.252  -0.483
  458    HB2  ASP  63           HB2      ASP  63  -7.796 -15.416  -0.400
  459    HB3  ASP  63           HB1      ASP  63  -8.336 -14.346  -1.691
  460    H    VAL  64           HN       VAL  64  -7.578 -11.536  -1.348
  461    HA   VAL  64           HA       VAL  64  -6.591 -11.288  -4.023
  462    HB   VAL  64           HB       VAL  64  -7.888  -9.155  -2.309
  463   HG11  VAL  64          HG11      VAL  64  -6.718  -8.275  -4.271
  464   HG12  VAL  64          HG12      VAL  64  -8.466  -8.093  -4.421
  465   HG13  VAL  64          HG13      VAL  64  -7.634  -9.372  -5.307
  466   HG21  VAL  64          HG21      VAL  64  -9.158 -11.092  -4.246
  467   HG22  VAL  64          HG22      VAL  64  -9.981  -9.782  -3.398
  468   HG23  VAL  64          HG23      VAL  64  -9.309 -11.134  -2.488
  469    H    ALA  65           HN       ALA  65  -5.697  -9.989  -0.885
  470    HA   ALA  65           HA       ALA  65  -3.850  -8.053  -1.763
  471    HB1  ALA  65           HB1      ALA  65  -3.048  -8.046   0.528
  472    HB2  ALA  65           HB2      ALA  65  -3.912  -9.550   0.849
  473    HB3  ALA  65           HB3      ALA  65  -4.810  -8.078   0.481
  474    H    GLY  66           HN       GLY  66  -3.663 -11.457  -1.771
  475    HA2  GLY  66           HA2      GLY  66  -0.756 -11.528  -1.608
  476    HA3  GLY  66           HA1      GLY  66  -1.825 -12.908  -1.823
  477    H    ARG  67           HN       ARG  67  -3.053 -10.950  -4.003
  478    HA   ARG  67           HA       ARG  67  -1.427 -12.142  -6.130
  479    HB2  ARG  67           HB2      ARG  67  -4.127 -10.808  -6.356
  480    HB3  ARG  67           HB1      ARG  67  -3.314 -11.755  -7.593
  481    HG2  ARG  67           HG2      ARG  67  -3.505 -13.752  -6.190
  482    HG3  ARG  67           HG1      ARG  67  -4.329 -12.791  -4.957
  483    HD2  ARG  67           HD2      ARG  67  -6.052 -12.223  -6.685
  484    HD3  ARG  67           HD1      ARG  67  -5.278 -13.399  -7.748
  485    HE   ARG  67           HE       ARG  67  -5.865 -14.602  -5.258
  486   HH11  ARG  67          HH11      ARG  67  -7.356 -13.522  -8.223
  487   HH12  ARG  67          HH12      ARG  67  -8.759 -14.536  -8.047
  488   HH21  ARG  67          HH21      ARG  67  -7.707 -15.937  -5.000
  489   HH22  ARG  67          HH22      ARG  67  -8.947 -15.931  -6.227
  490    H    VAL  68           HN       VAL  68  -1.707  -9.232  -4.538
  491    HA   VAL  68           HA       VAL  68  -1.272  -7.582  -6.902
  492    HB   VAL  68           HB       VAL  68  -1.221  -5.664  -5.274
  493   HG11  VAL  68          HG11      VAL  68  -3.240  -6.250  -6.470
  494   HG12  VAL  68          HG12      VAL  68  -3.636  -5.722  -4.836
  495   HG13  VAL  68          HG13      VAL  68  -3.655  -7.440  -5.237
  496   HG21  VAL  68          HG21      VAL  68  -0.529  -6.845  -3.272
  497   HG22  VAL  68          HG22      VAL  68  -2.008  -7.806  -3.299
  498   HG23  VAL  68          HG23      VAL  68  -2.089  -6.066  -3.009
  499    H    ASP  69           HN       ASP  69   0.691  -7.695  -7.714
  500    HA   ASP  69           HA       ASP  69   3.010  -7.948  -5.973
  501    HB2  ASP  69           HB2      ASP  69   4.266  -8.273  -8.063
  502    HB3  ASP  69           HB1      ASP  69   2.881  -9.355  -7.984
  503    H    THR  70           HN       THR  70   1.196  -5.537  -7.426
  504    HA   THR  70           HA       THR  70   3.375  -3.592  -7.100
  505    HB   THR  70           HB       THR  70   2.290  -2.312  -9.016
  506    HG1  THR  70           HG1      THR  70   1.153  -4.880  -9.530
  507   HG21  THR  70          HG21      THR  70   3.616  -4.958  -9.612
  508   HG22  THR  70          HG22      THR  70   4.426  -3.417  -9.320
  509   HG23  THR  70          HG23      THR  70   3.434  -3.632 -10.761
  510    HA   PRO  71           HA       PRO  71   0.557  -1.421  -4.423
  511    HB2  PRO  71           HB2      PRO  71   1.887   0.997  -5.537
  512    HB3  PRO  71           HB1      PRO  71   1.684   0.501  -3.855
  513    HG2  PRO  71           HG2      PRO  71   4.046   0.301  -5.069
  514    HG3  PRO  71           HG1      PRO  71   3.497  -0.938  -3.921
  515    HD2  PRO  71           HD2      PRO  71   3.584  -1.012  -6.906
  516    HD3  PRO  71           HD1      PRO  71   3.895  -2.310  -5.733
  517    H    ARG  72           HN       ARG  72   0.983  -0.688  -7.786
  518    HA   ARG  72           HA       ARG  72  -0.946   1.208  -8.308
  519    HB2  ARG  72           HB2      ARG  72   0.668   0.145  -9.932
  520    HB3  ARG  72           HB1      ARG  72  -0.410  -1.238  -9.999
  521    HG2  ARG  72           HG2      ARG  72  -0.825   0.133 -11.907
  522    HG3  ARG  72           HG1      ARG  72  -2.210   0.271 -10.820
  523    HD2  ARG  72           HD2      ARG  72  -1.583   2.454 -11.696
  524    HD3  ARG  72           HD1      ARG  72  -1.313   2.371  -9.955
  525    HE   ARG  72           HE       ARG  72   1.068   1.660 -11.201
  526   HH11  ARG  72          HH11      ARG  72  -0.981   4.500 -11.090
  527   HH12  ARG  72          HH12      ARG  72   0.356   5.615 -11.106
  528   HH21  ARG  72          HH21      ARG  72   2.822   3.135 -11.252
  529   HH22  ARG  72          HH22      ARG  72   2.516   4.842 -11.195
  530    H    GLU  73           HN       GLU  73  -1.369  -2.327  -8.361
  531    HA   GLU  73           HA       GLU  73  -4.164  -2.279  -8.793
  532    HB2  GLU  73           HB2      GLU  73  -2.365  -4.455  -7.705
  533    HB3  GLU  73           HB1      GLU  73  -4.050  -4.694  -8.144
  534    HG2  GLU  73           HG2      GLU  73  -1.870  -3.811 -10.012
  535    HG3  GLU  73           HG1      GLU  73  -2.509  -5.448  -9.880
  536    H    LEU  74           HN       LEU  74  -2.196  -2.455  -5.878
  537    HA   LEU  74           HA       LEU  74  -4.193  -3.187  -4.045
  538    HB2  LEU  74           HB2      LEU  74  -1.547  -2.864  -3.871
  539    HB3  LEU  74           HB1      LEU  74  -2.032  -1.320  -3.202
  540    HG   LEU  74           HG       LEU  74  -2.934  -3.995  -2.124
  541   HD11  LEU  74          HD11      LEU  74  -0.555  -3.769  -1.814
  542   HD12  LEU  74          HD12      LEU  74  -1.373  -3.513  -0.270
  543   HD13  LEU  74          HD13      LEU  74  -0.758  -2.134  -1.187
  544   HD21  LEU  74          HD21      LEU  74  -3.635  -2.687  -0.178
  545   HD22  LEU  74          HD22      LEU  74  -4.485  -2.188  -1.641
  546   HD23  LEU  74          HD23      LEU  74  -3.164  -1.205  -1.010
  547    H    LEU  75           HN       LEU  75  -2.957   0.053  -4.895
  548    HA   LEU  75           HA       LEU  75  -4.760   1.526  -3.338
  549    HB2  LEU  75           HB2      LEU  75  -2.722   2.447  -4.399
  550    HB3  LEU  75           HB1      LEU  75  -3.496   2.320  -5.967
  551    HG   LEU  75           HG       LEU  75  -5.232   3.927  -5.196
  552   HD11  LEU  75          HD11      LEU  75  -5.086   3.527  -2.804
  553   HD12  LEU  75          HD12      LEU  75  -4.818   5.232  -3.170
  554   HD13  LEU  75          HD13      LEU  75  -3.452   4.189  -2.780
  555   HD21  LEU  75          HD21      LEU  75  -3.807   5.908  -5.316
  556   HD22  LEU  75          HD22      LEU  75  -3.308   4.688  -6.488
  557   HD23  LEU  75          HD23      LEU  75  -2.388   4.908  -5.001
  558    H    ASP  76           HN       ASP  76  -4.944   0.476  -6.716
  559    HA   ASP  76           HA       ASP  76  -7.328   1.707  -7.460
  560    HB2  ASP  76           HB2      ASP  76  -5.736   0.551  -8.997
  561    HB3  ASP  76           HB1      ASP  76  -6.311  -0.992  -8.378
  562    H    LEU  77           HN       LEU  77  -6.753  -1.388  -5.896
  563    HA   LEU  77           HA       LEU  77  -9.373  -2.378  -5.946
  564    HB2  LEU  77           HB2      LEU  77  -7.497  -3.807  -5.450
  565    HB3  LEU  77           HB1      LEU  77  -7.104  -2.868  -4.022
  566    HG   LEU  77           HG       LEU  77  -9.247  -3.597  -2.994
  567   HD11  LEU  77          HD11      LEU  77  -9.432  -5.412  -5.391
  568   HD12  LEU  77          HD12      LEU  77 -10.478  -4.030  -5.063
  569   HD13  LEU  77          HD13      LEU  77 -10.496  -5.427  -3.985
  570   HD21  LEU  77          HD21      LEU  77  -8.529  -5.875  -2.509
  571   HD22  LEU  77          HD22      LEU  77  -7.158  -4.765  -2.509
  572   HD23  LEU  77          HD23      LEU  77  -7.432  -5.831  -3.887
  573    H    ILE  78           HN       ILE  78  -7.643  -0.724  -3.297
  574    HA   ILE  78           HA       ILE  78  -9.814  -0.703  -1.515
  575    HB   ILE  78           HB       ILE  78  -7.451   1.183  -1.605
  576   HG12  ILE  78          HG12      ILE  78  -7.887  -1.393  -0.074
  577   HG13  ILE  78          HG11      ILE  78  -6.835  -1.209  -1.471
  578   HG21  ILE  78          HG21      ILE  78  -9.285   2.048  -0.233
  579   HG22  ILE  78          HG22      ILE  78  -7.916   1.561   0.766
  580   HG23  ILE  78          HG23      ILE  78  -9.339   0.526   0.656
  581   HD11  ILE  78          HD11      ILE  78  -6.498   0.107   1.215
  582   HD12  ILE  78          HD12      ILE  78  -5.467   0.383  -0.191
  583   HD13  ILE  78          HD13      ILE  78  -5.538  -1.215   0.553
  584    H    ASN  79           HN       ASN  79  -8.697   1.704  -3.860
  585    HA   ASN  79           HA       ASN  79 -10.527   3.737  -3.253
  586    HB2  ASN  79           HB2      ASN  79  -9.149   2.962  -5.818
  587    HB3  ASN  79           HB1      ASN  79 -10.235   4.345  -5.733
  588   HD21  ASN  79          HD21      ASN  79  -9.418   4.945  -2.974
  589   HD22  ASN  79          HD22      ASN  79  -7.853   5.677  -3.097
  590    H    GLY  80           HN       GLY  80 -10.797   1.046  -5.573
  591    HA2  GLY  80           HA2      GLY  80 -13.349   1.730  -6.559
  592    HA3  GLY  80           HA1      GLY  80 -12.624   0.131  -6.629
  593    H    ALA  81           HN       ALA  81 -12.368  -0.153  -3.764
  594    HA   ALA  81           HA       ALA  81 -14.942  -1.223  -3.212
  595    HB1  ALA  81           HB1      ALA  81 -12.872  -2.225  -2.350
  596    HB2  ALA  81           HB2      ALA  81 -14.012  -1.853  -1.056
  597    HB3  ALA  81           HB3      ALA  81 -12.620  -0.805  -1.333
  598    H    LEU  82           HN       LEU  82 -13.262   1.714  -2.332
  599    HA   LEU  82           HA       LEU  82 -15.235   2.549  -0.418
  600    HB2  LEU  82           HB2      LEU  82 -12.941   4.002  -1.731
  601    HB3  LEU  82           HB1      LEU  82 -13.979   4.723  -0.516
  602    HG   LEU  82           HG       LEU  82 -12.224   2.298  -0.088
  603   HD11  LEU  82          HD11      LEU  82 -11.908   5.145   0.858
  604   HD12  LEU  82          HD12      LEU  82 -10.904   4.329  -0.343
  605   HD13  LEU  82          HD13      LEU  82 -10.893   3.782   1.334
  606   HD21  LEU  82          HD21      LEU  82 -12.796   2.606   2.276
  607   HD22  LEU  82          HD22      LEU  82 -14.213   2.233   1.297
  608   HD23  LEU  82          HD23      LEU  82 -13.921   3.888   1.829
  609    H    ALA  83           HN       ALA  83 -14.734   2.859  -3.821
  610    HA   ALA  83           HA       ALA  83 -16.303   5.142  -4.322
  611    HB1  ALA  83           HB1      ALA  83 -14.724   4.200  -5.938
  612    HB2  ALA  83           HB2      ALA  83 -16.335   4.386  -6.632
  613    HB3  ALA  83           HB3      ALA  83 -15.765   2.792  -6.134
  614    H    GLU  84           HN       GLU  84 -17.122   1.767  -3.885
  615    HA   GLU  84           HA       GLU  84 -19.912   2.270  -4.614
  616    HB2  GLU  84           HB2      GLU  84 -18.536  -0.299  -3.805
  617    HB3  GLU  84           HB1      GLU  84 -20.198  -0.163  -4.355
  618    HG2  GLU  84           HG2      GLU  84 -19.326   0.701  -6.526
  619    HG3  GLU  84           HG1      GLU  84 -17.699   0.335  -5.950
  620    H    ALA  85           HN       ALA  85 -18.166   2.833  -1.965
  621    HA   ALA  85           HA       ALA  85 -19.797   1.472   0.004
  622    HB1  ALA  85           HB1      ALA  85 -17.410   1.740   0.425
  623    HB2  ALA  85           HB2      ALA  85 -18.360   2.569   1.659
  624    HB3  ALA  85           HB3      ALA  85 -17.587   3.491   0.371
  625    H    ALA  86           HN       ALA  86 -21.730   2.217   0.502
  626    HA   ALA  86           HA       ALA  86 -22.050   5.079   1.030
  627    HB1  ALA  86           HB1      ALA  86 -24.245   5.085  -0.073
  628    HB2  ALA  86           HB2      ALA  86 -23.986   3.421  -0.599
  629    HB3  ALA  86           HB3      ALA  86 -22.952   4.711  -1.213
  630    H28  SXO  87          H28B      SXO  87   6.444 -11.483   6.447
  631   H28A  SXO  87          H28A      SXO  87   7.519 -12.257   7.612
  632    H30  SXO  87          H30A      SXO  87   3.970 -12.534   8.792
  633   H30A  SXO  87          H30C      SXO  87   5.479 -11.659   9.046
  634   H30B  SXO  87          H30B      SXO  87   4.473 -11.295   7.643
  635    H31  SXO  87          H31A      SXO  87   5.222 -14.391   5.798
  636   H31A  SXO  87          H31B      SXO  87   4.297 -12.889   5.780
  637   H31B  SXO  87          H31C      SXO  87   3.820 -14.205   6.853
  638    H32  SXO  87          H32A      SXO  87   6.559 -13.885   9.262
  639   HO33  SXO  87          H33A      SXO  87   6.554 -16.030   7.620
  640   HN36  SXO  87          H36A      SXO  87   4.188 -13.628  10.007
  641    H37  SXO  87          H37A      SXO  87   2.710 -16.183   9.837
  642   H37A  SXO  87          H37B      SXO  87   2.998 -15.352  11.364
  643    H38  SXO  87          H38B      SXO  87   1.794 -13.361  10.356
  644   H38A  SXO  87          H38A      SXO  87   0.812 -14.771  10.761
  645   HN41  SXO  87          H41A      SXO  87   0.250 -12.638   8.940
  646    H42  SXO  87          H42A      SXO  87   0.513 -13.492   6.232
  647   H42A  SXO  87          H42B      SXO  87  -1.077 -13.876   6.896
  648    H43  SXO  87          H43B      SXO  87  -1.470 -11.533   7.396
  649   H43A  SXO  87          H43A      SXO  87   0.163 -11.122   6.832
  650    H2   SXO  87           H2A      SXO  87  -2.624  -8.415   4.006
  651    H2A  SXO  87           H2B      SXO  87  -3.142 -10.040   3.567
  652    H3   SXO  87           H3B      SXO  87  -0.925 -10.431   2.542
  653    H3A  SXO  87           H3A      SXO  87  -1.809  -9.105   1.785
  654    H4   SXO  87           H4A      SXO  87   0.593  -8.601   2.140
  655    H4A  SXO  87           H4B      SXO  87   0.344  -8.776   3.876
  656    H5   SXO  87           H5B      SXO  87  -1.334  -6.950   3.778
  657    H5A  SXO  87           H5A      SXO  87   0.284  -6.430   3.308
  658    H6   SXO  87           H6A      SXO  87  -1.911  -7.185   1.380
  659    H6A  SXO  87           H6B      SXO  87  -0.319  -6.551   0.967
  660    H7   SXO  87           H7A      SXO  87  -2.413  -5.077   2.574
  661    H7A  SXO  87           H7B      SXO  87  -2.058  -4.806   0.860
  662    H8   SXO  87           H8C      SXO  87  -0.135  -4.440   3.156
  663    H8A  SXO  87           H8A      SXO  87  -0.938  -3.150   2.264
  664    H8B  SXO  87           H8B      SXO  87   0.237  -4.183   1.453
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1 -20.212  10.535  -0.813
    2    H2   MET   1           HT2      MET   1 -19.912  11.327   0.656
    3    H3   MET   1           HT3      MET   1 -19.471   9.703   0.465
    4    HA   MET   1           HA       MET   1 -17.886  10.306  -1.247
    5    HB2  MET   1           HB2      MET   1 -18.998  12.353  -2.009
    6    HB3  MET   1           HB1      MET   1 -18.664  13.125  -0.467
    7    HG2  MET   1           HG2      MET   1 -16.267  12.980  -0.911
    8    HG3  MET   1           HG1      MET   1 -16.601  12.212  -2.463
    9    HE1  MET   1           HE1      MET   1 -14.778  14.820  -2.099
   10    HE2  MET   1           HE2      MET   1 -15.326  15.792  -3.467
   11    HE3  MET   1           HE3      MET   1 -15.080  14.053  -3.655
   12    H    ALA   2           HN       ALA   2 -16.559   9.239   0.140
   13    HA   ALA   2           HA       ALA   2 -15.643  10.659   2.543
   14    HB1  ALA   2           HB1      ALA   2 -16.490   8.371   2.854
   15    HB2  ALA   2           HB2      ALA   2 -14.789   8.510   3.297
   16    HB3  ALA   2           HB3      ALA   2 -15.242   7.768   1.763
   17    H    THR   3           HN       THR   3 -13.265  10.235   3.062
   18    HA   THR   3           HA       THR   3 -11.671  11.254   0.923
   19    HB   THR   3           HB       THR   3  -9.802  10.981   2.622
   20    HG1  THR   3           HG1      THR   3 -10.883   9.261   3.796
   21   HG21  THR   3          HG21      THR   3 -10.990  13.095   2.391
   22   HG22  THR   3          HG22      THR   3 -10.651  12.780   4.094
   23   HG23  THR   3          HG23      THR   3 -12.272  12.514   3.451
   24    H    LEU   4           HN       LEU   4 -11.147   9.923  -0.700
   25    HA   LEU   4           HA       LEU   4 -10.756   7.105  -0.325
   26    HB2  LEU   4           HB2      LEU   4 -10.162   8.821  -2.736
   27    HB3  LEU   4           HB1      LEU   4 -10.242   7.070  -2.713
   28    HG   LEU   4           HG       LEU   4 -12.563   8.934  -2.196
   29   HD11  LEU   4          HD11      LEU   4 -11.945   7.192  -4.572
   30   HD12  LEU   4          HD12      LEU   4 -11.835   8.950  -4.523
   31   HD13  LEU   4          HD13      LEU   4 -13.402   8.160  -4.341
   32   HD21  LEU   4          HD21      LEU   4 -13.934   6.903  -2.289
   33   HD22  LEU   4          HD22      LEU   4 -12.791   6.862  -0.946
   34   HD23  LEU   4          HD23      LEU   4 -12.469   5.926  -2.406
   35    H    LEU   5           HN       LEU   5  -8.723   6.103  -1.372
   36    HA   LEU   5           HA       LEU   5  -6.475   7.047   0.176
   37    HB2  LEU   5           HB2      LEU   5  -7.332   4.568  -0.517
   38    HB3  LEU   5           HB1      LEU   5  -6.127   4.828  -1.759
   39    HG   LEU   5           HG       LEU   5  -5.638   4.878   1.225
   40   HD11  LEU   5          HD11      LEU   5  -4.761   2.934  -0.899
   41   HD12  LEU   5          HD12      LEU   5  -6.033   2.654   0.292
   42   HD13  LEU   5          HD13      LEU   5  -4.361   2.858   0.818
   43   HD21  LEU   5          HD21      LEU   5  -4.178   6.463   0.065
   44   HD22  LEU   5          HD22      LEU   5  -3.677   5.188  -1.047
   45   HD23  LEU   5          HD23      LEU   5  -3.275   5.071   0.666
   46    H    THR   6           HN       THR   6  -4.879   8.315  -0.577
   47    HA   THR   6           HA       THR   6  -4.774   8.762  -3.475
   48    HB   THR   6           HB       THR   6  -3.699  10.919  -2.979
   49    HG1  THR   6           HG1      THR   6  -4.388  10.845  -0.284
   50   HG21  THR   6          HG21      THR   6  -6.320  10.463  -1.550
   51   HG22  THR   6          HG22      THR   6  -6.107  10.874  -3.252
   52   HG23  THR   6          HG23      THR   6  -5.672  12.040  -2.003
   53    H    THR   7           HN       THR   7  -2.585   9.424  -4.296
   54    HA   THR   7           HA       THR   7  -0.715   7.387  -3.985
   55    HB   THR   7           HB       THR   7   0.827   9.299  -5.006
   56    HG1  THR   7           HG1      THR   7  -0.248  11.061  -5.533
   57   HG21  THR   7          HG21      THR   7  -0.055   8.713  -7.210
   58   HG22  THR   7          HG22      THR   7  -1.507   8.052  -6.457
   59   HG23  THR   7          HG23      THR   7   0.060   7.290  -6.171
   60    H    ASP   8           HN       ASP   8  -0.471  10.749  -2.822
   61    HA   ASP   8           HA       ASP   8   2.000  10.392  -1.534
   62    HB2  ASP   8           HB2      ASP   8  -0.158  12.468  -1.188
   63    HB3  ASP   8           HB1      ASP   8   1.366  12.528  -0.309
   64    H    ASP   9           HN       ASP   9  -1.296   9.940  -0.421
   65    HA   ASP   9           HA       ASP   9  -0.775   9.667   2.340
   66    HB2  ASP   9           HB2      ASP   9  -3.044   9.719   0.981
   67    HB3  ASP   9           HB1      ASP   9  -2.832   7.975   0.972
   68    H    LEU  10           HN       LEU  10  -0.966   7.303  -0.288
   69    HA   LEU  10           HA       LEU  10  -0.259   5.022   1.165
   70    HB2  LEU  10           HB2      LEU  10  -1.197   4.983  -1.112
   71    HB3  LEU  10           HB1      LEU  10   0.299   5.650  -1.735
   72    HG   LEU  10           HG       LEU  10   1.496   3.614  -1.013
   73   HD11  LEU  10          HD11      LEU  10  -1.255   2.639  -0.267
   74   HD12  LEU  10          HD12      LEU  10   0.079   2.954   0.842
   75   HD13  LEU  10          HD13      LEU  10   0.199   1.646  -0.336
   76   HD21  LEU  10          HD21      LEU  10   0.540   2.113  -2.705
   77   HD22  LEU  10          HD22      LEU  10   0.658   3.773  -3.289
   78   HD23  LEU  10          HD23      LEU  10  -0.900   3.128  -2.777
   79    H    ARG  11           HN       ARG  11   1.735   7.366  -0.585
   80    HA   ARG  11           HA       ARG  11   4.228   6.209  -0.294
   81    HB2  ARG  11           HB2      ARG  11   3.901   8.185  -1.641
   82    HB3  ARG  11           HB1      ARG  11   3.449   9.126  -0.228
   83    HG2  ARG  11           HG2      ARG  11   5.727   8.866   0.655
   84    HG3  ARG  11           HG1      ARG  11   6.173   7.964  -0.796
   85    HD2  ARG  11           HD2      ARG  11   5.047  10.753  -0.908
   86    HD3  ARG  11           HD1      ARG  11   6.771  10.443  -0.729
   87    HE   ARG  11           HE       ARG  11   6.533   9.148  -2.888
   88   HH11  ARG  11          HH11      ARG  11   4.437  11.843  -2.082
   89   HH12  ARG  11          HH12      ARG  11   4.174  12.304  -3.727
   90   HH21  ARG  11          HH21      ARG  11   6.206   9.763  -5.074
   91   HH22  ARG  11          HH22      ARG  11   5.183  11.115  -5.433
   92    H    ARG  12           HN       ARG  12   2.412   8.184   2.024
   93    HA   ARG  12           HA       ARG  12   4.495   8.276   3.966
   94    HB2  ARG  12           HB2      ARG  12   1.513   8.692   4.224
   95    HB3  ARG  12           HB1      ARG  12   2.664   8.987   5.518
   96    HG2  ARG  12           HG2      ARG  12   2.547  10.418   2.868
   97    HG3  ARG  12           HG1      ARG  12   2.073  11.059   4.441
   98    HD2  ARG  12           HD2      ARG  12   4.848  10.192   3.659
   99    HD3  ARG  12           HD1      ARG  12   4.283  11.857   3.759
  100    HE   ARG  12           HE       ARG  12   4.051  10.256   6.179
  101   HH11  ARG  12          HH11      ARG  12   5.876  12.645   4.369
  102   HH12  ARG  12          HH12      ARG  12   6.739  13.223   5.763
  103   HH21  ARG  12          HH21      ARG  12   5.192  11.022   8.013
  104   HH22  ARG  12          HH22      ARG  12   6.347  12.306   7.826
  105    H    ALA  13           HN       ALA  13   1.870   6.048   3.307
  106    HA   ALA  13           HA       ALA  13   1.915   4.625   5.740
  107    HB1  ALA  13           HB1      ALA  13   0.730   2.874   4.540
  108    HB2  ALA  13           HB2      ALA  13   1.151   3.627   3.002
  109    HB3  ALA  13           HB3      ALA  13   0.081   4.462   4.128
  110    H    LEU  14           HN       LEU  14   3.748   4.246   2.740
  111    HA   LEU  14           HA       LEU  14   5.082   1.859   3.461
  112    HB2  LEU  14           HB2      LEU  14   5.629   4.053   1.490
  113    HB3  LEU  14           HB1      LEU  14   6.877   2.865   1.814
  114    HG   LEU  14           HG       LEU  14   5.731   2.148  -0.139
  115   HD11  LEU  14          HD11      LEU  14   4.738   0.000   0.561
  116   HD12  LEU  14          HD12      LEU  14   4.751   0.568   2.231
  117   HD13  LEU  14          HD13      LEU  14   6.272   0.342   1.366
  118   HD21  LEU  14          HD21      LEU  14   3.300   1.767  -0.201
  119   HD22  LEU  14          HD22      LEU  14   3.712   3.464   0.044
  120   HD23  LEU  14          HD23      LEU  14   3.162   2.486   1.404
  121    H    VAL  15           HN       VAL  15   5.842   5.270   3.936
  122    HA   VAL  15           HA       VAL  15   8.397   4.953   5.060
  123    HB   VAL  15           HB       VAL  15   6.349   7.129   5.540
  124   HG11  VAL  15          HG11      VAL  15   9.297   7.122   6.204
  125   HG12  VAL  15          HG12      VAL  15   7.982   7.048   7.375
  126   HG13  VAL  15          HG13      VAL  15   8.194   8.487   6.379
  127   HG21  VAL  15          HG21      VAL  15   7.051   6.966   3.234
  128   HG22  VAL  15          HG22      VAL  15   8.747   6.962   3.724
  129   HG23  VAL  15          HG23      VAL  15   7.758   8.401   3.978
  130    H    GLU  16           HN       GLU  16   5.210   5.176   6.605
  131    HA   GLU  16           HA       GLU  16   6.111   4.918   9.254
  132    HB2  GLU  16           HB2      GLU  16   3.465   4.269   7.966
  133    HB3  GLU  16           HB1      GLU  16   3.735   4.168   9.703
  134    HG2  GLU  16           HG2      GLU  16   4.165   6.497   9.852
  135    HG3  GLU  16           HG1      GLU  16   4.209   6.661   8.097
  136    H    SER  17           HN       SER  17   5.898   2.603   6.753
  137    HA   SER  17           HA       SER  17   5.791   0.314   8.513
  138    HB2  SER  17           HB2      SER  17   6.355   0.451   5.540
  139    HB3  SER  17           HB1      SER  17   6.008  -1.012   6.465
  140    HG   SER  17           HG       SER  17   4.263   1.202   6.059
  141    H    ALA  18           HN       ALA  18   8.179   2.439   7.409
  142    HA   ALA  18           HA       ALA  18  10.261   0.643   8.408
  143    HB1  ALA  18           HB1      ALA  18  11.771   1.231   6.567
  144    HB2  ALA  18           HB2      ALA  18  10.463   2.119   5.785
  145    HB3  ALA  18           HB3      ALA  18  10.339   0.375   6.000
  146    H    GLY  19           HN       GLY  19  10.680   3.750   6.750
  147    HA2  GLY  19           HA2      GLY  19  10.663   5.868   7.874
  148    HA3  GLY  19           HA1      GLY  19  11.058   5.038   9.369
  149    H    GLU  20           HN       GLU  20  13.002   3.516   7.366
  150    HA   GLU  20           HA       GLU  20  15.222   5.304   7.995
  151    HB2  GLU  20           HB2      GLU  20  15.413   2.992   8.753
  152    HB3  GLU  20           HB1      GLU  20  15.192   2.417   7.107
  153    HG2  GLU  20           HG2      GLU  20  17.538   2.363   7.860
  154    HG3  GLU  20           HG1      GLU  20  17.283   3.357   6.425
  155    H    THR  21           HN       THR  21  16.469   6.252   6.455
  156    HA   THR  21           HA       THR  21  15.515   6.002   3.674
  157    HB   THR  21           HB       THR  21  17.305   8.191   4.637
  158    HG1  THR  21           HG1      THR  21  15.465   8.117   6.066
  159   HG21  THR  21          HG21      THR  21  15.165   8.043   2.513
  160   HG22  THR  21          HG22      THR  21  16.908   7.990   2.240
  161   HG23  THR  21          HG23      THR  21  16.158   9.460   2.865
  162    H    ASP  22           HN       ASP  22  16.822   4.030   3.664
  163    HA   ASP  22           HA       ASP  22  19.631   4.042   3.922
  164    HB2  ASP  22           HB2      ASP  22  18.367   1.964   4.077
  165    HB3  ASP  22           HB1      ASP  22  17.835   2.128   2.407
  166    H    GLY  23           HN       GLY  23  17.564   4.110   1.036
  167    HA2  GLY  23           HA2      GLY  23  18.989   5.981  -0.402
  168    HA3  GLY  23           HA1      GLY  23  19.733   4.433  -0.789
  169    H    THR  24           HN       THR  24  16.417   5.631  -0.342
  170    HA   THR  24           HA       THR  24  15.678   4.267  -2.845
  171    HB   THR  24           HB       THR  24  13.935   4.443  -0.385
  172    HG1  THR  24           HG1      THR  24  15.551   2.257  -1.295
  173   HG21  THR  24          HG21      THR  24  12.665   2.656  -1.519
  174   HG22  THR  24          HG22      THR  24  13.756   2.782  -2.900
  175   HG23  THR  24          HG23      THR  24  12.718   4.142  -2.470
  176    H    ASP  25           HN       ASP  25  15.016   5.778  -4.279
  177    HA   ASP  25           HA       ASP  25  14.127   8.373  -3.486
  178    HB2  ASP  25           HB2      ASP  25  13.940   7.032  -6.198
  179    HB3  ASP  25           HB1      ASP  25  13.698   8.746  -5.881
  180    H    LEU  26           HN       LEU  26  12.414   7.495  -2.026
  181    HA   LEU  26           HA       LEU  26  10.036   6.435  -3.275
  182    HB2  LEU  26           HB2      LEU  26  10.753   5.766  -0.995
  183    HB3  LEU  26           HB1      LEU  26  10.489   7.410  -0.446
  184    HG   LEU  26           HG       LEU  26   8.078   7.172  -0.986
  185   HD11  LEU  26          HD11      LEU  26   8.253   5.475  -2.719
  186   HD12  LEU  26          HD12      LEU  26   7.178   4.936  -1.428
  187   HD13  LEU  26          HD13      LEU  26   8.821   4.302  -1.531
  188   HD21  LEU  26          HD21      LEU  26   7.535   5.717   0.894
  189   HD22  LEU  26          HD22      LEU  26   8.898   6.769   1.279
  190   HD23  LEU  26          HD23      LEU  26   9.176   5.072   0.881
  191    H    SER  27           HN       SER  27  11.372   9.464  -2.925
  192    HA   SER  27           HA       SER  27   9.024  11.018  -2.488
  193    HB2  SER  27           HB2      SER  27  10.538  12.886  -3.346
  194    HB3  SER  27           HB1      SER  27  11.112  12.018  -1.920
  195    HG   SER  27           HG       SER  27  12.142  12.105  -4.487
  196    H    GLY  28           HN       GLY  28  10.415   9.434  -5.208
  197    HA2  GLY  28           HA2      GLY  28   8.791  11.031  -7.067
  198    HA3  GLY  28           HA1      GLY  28  10.140   9.997  -7.521
  199    H    ASP  29           HN       ASP  29   9.791   7.880  -7.961
  200    HA   ASP  29           HA       ASP  29   6.977   7.181  -8.345
  201    HB2  ASP  29           HB2      ASP  29   8.552   7.168 -10.292
  202    HB3  ASP  29           HB1      ASP  29   9.442   5.870  -9.509
  203    H    PHE  30           HN       PHE  30   6.378   4.907  -8.089
  204    HA   PHE  30           HA       PHE  30   7.707   3.107  -6.418
  205    HB2  PHE  30           HB2      PHE  30   6.531   3.406  -4.287
  206    HB3  PHE  30           HB1      PHE  30   7.451   4.852  -4.679
  207    HD1  PHE  30           HD2      PHE  30   6.146   6.802  -5.767
  208    HD2  PHE  30           HD1      PHE  30   4.279   3.555  -3.746
  209    HE1  PHE  30           HE2      PHE  30   4.118   8.158  -5.469
  210    HE2  PHE  30           HE1      PHE  30   2.249   4.910  -3.444
  211    HZ   PHE  30           HZ       PHE  30   2.164   7.216  -4.302
  212    H    LEU  31           HN       LEU  31   4.770   4.485  -7.631
  213    HA   LEU  31           HA       LEU  31   2.885   2.592  -6.905
  214    HB2  LEU  31           HB2      LEU  31   3.069   4.469  -9.222
  215    HB3  LEU  31           HB1      LEU  31   1.717   3.366  -9.062
  216    HG   LEU  31           HG       LEU  31   2.504   5.516  -7.100
  217   HD11  LEU  31          HD11      LEU  31   0.305   6.447  -7.788
  218   HD12  LEU  31          HD12      LEU  31   0.235   5.223  -9.055
  219   HD13  LEU  31          HD13      LEU  31   1.514   6.440  -9.069
  220   HD21  LEU  31          HD21      LEU  31   1.580   3.606  -5.921
  221   HD22  LEU  31          HD22      LEU  31   0.220   3.545  -7.042
  222   HD23  LEU  31          HD23      LEU  31   0.406   4.922  -5.956
  223    H    ASP  32           HN       ASP  32   4.885   2.637  -9.858
  224    HA   ASP  32           HA       ASP  32   3.467   0.246 -10.751
  225    HB2  ASP  32           HB2      ASP  32   3.886   2.282 -12.239
  226    HB3  ASP  32           HB1      ASP  32   5.562   1.746 -12.317
  227    H    LEU  33           HN       LEU  33   6.071   0.866  -8.905
  228    HA   LEU  33           HA       LEU  33   7.739  -1.313  -9.861
  229    HB2  LEU  33           HB2      LEU  33   7.948   0.518  -7.472
  230    HB3  LEU  33           HB1      LEU  33   9.073  -0.791  -7.787
  231    HG   LEU  33           HG       LEU  33   8.604   1.574  -9.605
  232   HD11  LEU  33          HD11      LEU  33   9.721   2.234  -7.549
  233   HD12  LEU  33          HD12      LEU  33  10.855   2.266  -8.901
  234   HD13  LEU  33          HD13      LEU  33  10.894   0.932  -7.746
  235   HD21  LEU  33          HD21      LEU  33   9.248  -0.432 -10.832
  236   HD22  LEU  33          HD22      LEU  33  10.624  -0.667  -9.754
  237   HD23  LEU  33          HD23      LEU  33  10.561   0.741 -10.816
  238    H    ARG  34           HN       ARG  34   7.880  -3.304  -8.909
  239    HA   ARG  34           HA       ARG  34   5.649  -4.187  -7.370
  240    HB2  ARG  34           HB2      ARG  34   8.267  -5.593  -7.898
  241    HB3  ARG  34           HB1      ARG  34   6.789  -6.346  -7.318
  242    HG2  ARG  34           HG2      ARG  34   5.689  -5.910  -9.419
  243    HG3  ARG  34           HG1      ARG  34   7.086  -4.994  -9.998
  244    HD2  ARG  34           HD2      ARG  34   6.992  -7.940  -9.339
  245    HD3  ARG  34           HD1      ARG  34   7.137  -7.216 -10.943
  246    HE   ARG  34           HE       ARG  34   9.255  -6.214  -9.495
  247   HH11  ARG  34          HH11      ARG  34   8.152  -9.391 -10.487
  248   HH12  ARG  34          HH12      ARG  34   9.745 -10.082 -10.490
  249   HH21  ARG  34          HH21      ARG  34  11.334  -7.132  -9.437
  250   HH22  ARG  34          HH22      ARG  34  11.557  -8.807  -9.859
  251    H    PHE  35           HN       PHE  35   5.825  -5.221  -5.251
  252    HA   PHE  35           HA       PHE  35   6.886  -3.488  -3.341
  253    HB2  PHE  35           HB2      PHE  35   6.049  -6.374  -3.004
  254    HB3  PHE  35           HB1      PHE  35   6.292  -5.220  -1.692
  255    HD1  PHE  35           HD2      PHE  35   4.904  -3.024  -1.834
  256    HD2  PHE  35           HD1      PHE  35   3.961  -6.593  -3.949
  257    HE1  PHE  35           HE2      PHE  35   2.566  -2.285  -2.034
  258    HE2  PHE  35           HE1      PHE  35   1.624  -5.860  -4.153
  259    HZ   PHE  35           HZ       PHE  35   0.967  -3.594  -3.339
  260    H    GLU  36           HN       GLU  36   8.184  -6.559  -4.584
  261    HA   GLU  36           HA       GLU  36  10.492  -6.601  -2.948
  262    HB2  GLU  36           HB2      GLU  36  11.455  -8.082  -4.725
  263    HB3  GLU  36           HB1      GLU  36   9.900  -8.605  -4.097
  264    HG2  GLU  36           HG2      GLU  36   9.907  -6.908  -6.525
  265    HG3  GLU  36           HG1      GLU  36  10.450  -8.576  -6.683
  266    H    ASP  37           HN       ASP  37   9.694  -4.706  -5.742
  267    HA   ASP  37           HA       ASP  37  12.450  -4.181  -6.469
  268    HB2  ASP  37           HB2      ASP  37   9.863  -2.973  -7.480
  269    HB3  ASP  37           HB1      ASP  37  11.454  -2.564  -8.104
  270    H    ILE  38           HN       ILE  38   9.906  -2.696  -4.602
  271    HA   ILE  38           HA       ILE  38  11.496  -0.285  -4.231
  272    HB   ILE  38           HB       ILE  38   9.636   0.466  -2.741
  273   HG12  ILE  38          HG12      ILE  38   8.310  -2.065  -3.733
  274   HG13  ILE  38          HG11      ILE  38   8.795  -1.742  -2.075
  275   HG21  ILE  38          HG21      ILE  38   8.897  -0.346  -5.544
  276   HG22  ILE  38          HG22      ILE  38   9.727   1.136  -5.066
  277   HG23  ILE  38          HG23      ILE  38   8.054   0.863  -4.577
  278   HD11  ILE  38          HD11      ILE  38   6.416  -1.437  -2.330
  279   HD12  ILE  38          HD12      ILE  38   6.675  -0.277  -3.633
  280   HD13  ILE  38          HD13      ILE  38   7.184   0.113  -1.990
  281    H    GLY  39           HN       GLY  39  11.668  -3.282  -3.034
  282    HA2  GLY  39           HA2      GLY  39  13.053  -4.086  -1.387
  283    HA3  GLY  39           HA1      GLY  39  13.442  -2.426  -0.978
  284    H    TYR  40           HN       TYR  40  10.348  -4.238  -0.836
  285    HA   TYR  40           HA       TYR  40  10.360  -3.659   2.050
  286    HB2  TYR  40           HB2      TYR  40   8.126  -3.493   0.061
  287    HB3  TYR  40           HB1      TYR  40   7.764  -3.851   1.751
  288    HD1  TYR  40           HD1      TYR  40   9.256  -1.358  -0.531
  289    HD2  TYR  40           HD2      TYR  40   7.888  -2.152   3.417
  290    HE1  TYR  40           HE1      TYR  40   9.346   1.046  -0.021
  291    HE2  TYR  40           HE2      TYR  40   7.977   0.246   3.941
  292    HH   TYR  40           HH       TYR  40   9.048   2.270   3.167
  293    H    ASP  41           HN       ASP  41  10.418  -5.305   3.334
  294    HA   ASP  41           HA       ASP  41  10.350  -7.999   2.403
  295    HB2  ASP  41           HB2      ASP  41  10.377  -6.879   5.216
  296    HB3  ASP  41           HB1      ASP  41  10.588  -8.579   4.819
  297    H    SER  42           HN       SER  42   9.012  -9.692   3.445
  298    HA   SER  42           HA       SER  42   6.285  -9.397   3.104
  299    HB2  SER  42           HB2      SER  42   6.129 -11.492   4.505
  300    HB3  SER  42           HB1      SER  42   7.312 -11.587   3.193
  301    H    LEU  43           HN       LEU  43   8.127  -9.357   6.133
  302    HA   LEU  43           HA       LEU  43   6.021  -8.877   7.893
  303    HB2  LEU  43           HB2      LEU  43   8.298  -9.604   8.525
  304    HB3  LEU  43           HB1      LEU  43   8.877  -7.983   8.185
  305    HG   LEU  43           HG       LEU  43   7.493  -7.080   9.976
  306   HD11  LEU  43          HD11      LEU  43   5.624  -8.634   9.867
  307   HD12  LEU  43          HD12      LEU  43   6.292  -8.584  11.498
  308   HD13  LEU  43          HD13      LEU  43   6.660  -9.945  10.436
  309   HD21  LEU  43          HD21      LEU  43   8.673  -8.087  11.849
  310   HD22  LEU  43          HD22      LEU  43   9.750  -7.844  10.475
  311   HD23  LEU  43          HD23      LEU  43   9.126  -9.454  10.833
  312    H    ALA  44           HN       ALA  44   8.071  -6.610   6.123
  313    HA   ALA  44           HA       ALA  44   7.048  -4.257   7.313
  314    HB1  ALA  44           HB1      ALA  44   9.164  -4.285   6.102
  315    HB2  ALA  44           HB2      ALA  44   8.062  -3.098   5.403
  316    HB3  ALA  44           HB3      ALA  44   8.313  -4.647   4.601
  317    H    LEU  45           HN       LEU  45   6.147  -6.135   4.485
  318    HA   LEU  45           HA       LEU  45   4.354  -4.291   3.349
  319    HB2  LEU  45           HB2      LEU  45   5.336  -6.143   2.104
  320    HB3  LEU  45           HB1      LEU  45   4.468  -7.292   3.104
  321    HG   LEU  45           HG       LEU  45   2.333  -6.444   2.209
  322   HD11  LEU  45          HD11      LEU  45   4.103  -4.742   0.463
  323   HD12  LEU  45          HD12      LEU  45   2.988  -4.172   1.706
  324   HD13  LEU  45          HD13      LEU  45   2.363  -4.958   0.253
  325   HD21  LEU  45          HD21      LEU  45   2.561  -7.373  -0.046
  326   HD22  LEU  45          HD22      LEU  45   3.394  -8.365   1.152
  327   HD23  LEU  45          HD23      LEU  45   4.317  -7.290   0.103
  328    H    MET  46           HN       MET  46   3.838  -6.907   5.700
  329    HA   MET  46           HA       MET  46   1.004  -6.698   5.623
  330    HB2  MET  46           HB2      MET  46   0.993  -8.098   7.630
  331    HB3  MET  46           HB1      MET  46   2.061  -8.747   6.400
  332    HG2  MET  46           HG2      MET  46   3.310  -9.048   8.287
  333    HG3  MET  46           HG1      MET  46   3.911  -7.489   7.730
  334    HE1  MET  46           HE1      MET  46   0.851  -7.982  11.152
  335    HE2  MET  46           HE2      MET  46   1.552  -9.340  10.268
  336    HE3  MET  46           HE3      MET  46   0.448  -8.232   9.455
  337    H    GLU  47           HN       GLU  47   3.495  -5.110   7.533
  338    HA   GLU  47           HA       GLU  47   1.734  -3.729   9.258
  339    HB2  GLU  47           HB2      GLU  47   4.557  -3.278   8.368
  340    HB3  GLU  47           HB1      GLU  47   3.719  -2.036   9.289
  341    HG2  GLU  47           HG2      GLU  47   4.126  -4.884  10.173
  342    HG3  GLU  47           HG1      GLU  47   5.070  -3.494  10.712
  343    H    THR  48           HN       THR  48   3.033  -3.006   6.061
  344    HA   THR  48           HA       THR  48   2.053  -0.422   5.733
  345    HB   THR  48           HB       THR  48   2.205  -2.541   3.578
  346    HG1  THR  48           HG1      THR  48   4.156  -1.125   4.983
  347   HG21  THR  48          HG21      THR  48   1.042  -0.501   2.887
  348   HG22  THR  48          HG22      THR  48   2.610  -0.630   2.087
  349   HG23  THR  48          HG23      THR  48   2.400   0.471   3.449
  350    H    ALA  49           HN       ALA  49   0.467  -3.541   5.181
  351    HA   ALA  49           HA       ALA  49  -1.970  -2.657   4.151
  352    HB1  ALA  49           HB1      ALA  49  -1.340  -5.017   4.205
  353    HB2  ALA  49           HB2      ALA  49  -2.902  -4.770   4.986
  354    HB3  ALA  49           HB3      ALA  49  -1.457  -5.018   5.964
  355    H    ALA  50           HN       ALA  50  -0.964  -3.167   7.510
  356    HA   ALA  50           HA       ALA  50  -3.416  -2.536   8.725
  357    HB1  ALA  50           HB1      ALA  50  -2.136  -2.322  10.788
  358    HB2  ALA  50           HB2      ALA  50  -0.634  -2.294   9.863
  359    HB3  ALA  50           HB3      ALA  50  -1.636  -3.746   9.877
  360    H    ARG  51           HN       ARG  51  -0.732  -0.586   7.669
  361    HA   ARG  51           HA       ARG  51  -1.301   1.839   8.923
  362    HB2  ARG  51           HB2      ARG  51  -0.168   1.363   6.161
  363    HB3  ARG  51           HB1      ARG  51  -0.106   2.880   7.029
  364    HG2  ARG  51           HG2      ARG  51   1.177   0.343   7.997
  365    HG3  ARG  51           HG1      ARG  51   2.006   1.579   7.054
  366    HD2  ARG  51           HD2      ARG  51   2.579   2.061   9.263
  367    HD3  ARG  51           HD1      ARG  51   1.292   3.206   8.893
  368    HE   ARG  51           HE       ARG  51   0.607   0.700  10.244
  369   HH11  ARG  51          HH11      ARG  51   1.022   4.184  10.387
  370   HH12  ARG  51          HH12      ARG  51   0.144   4.347  11.877
  371   HH21  ARG  51          HH21      ARG  51  -0.528   0.917  12.203
  372   HH22  ARG  51          HH22      ARG  51  -0.774   2.497  12.895
  373    H    LEU  52           HN       LEU  52  -2.495   0.493   5.875
  374    HA   LEU  52           HA       LEU  52  -4.000   2.827   5.184
  375    HB2  LEU  52           HB2      LEU  52  -4.201   0.028   4.070
  376    HB3  LEU  52           HB1      LEU  52  -4.843   1.486   3.333
  377    HG   LEU  52           HG       LEU  52  -1.909   0.916   3.783
  378   HD11  LEU  52          HD11      LEU  52  -3.542   0.854   1.250
  379   HD12  LEU  52          HD12      LEU  52  -2.877  -0.548   2.090
  380   HD13  LEU  52          HD13      LEU  52  -1.795   0.643   1.366
  381   HD21  LEU  52          HD21      LEU  52  -1.566   2.887   2.355
  382   HD22  LEU  52          HD22      LEU  52  -2.407   3.290   3.853
  383   HD23  LEU  52          HD23      LEU  52  -3.309   3.168   2.341
  384    H    GLU  53           HN       GLU  53  -4.821  -0.396   6.411
  385    HA   GLU  53           HA       GLU  53  -7.583  -0.182   6.480
  386    HB2  GLU  53           HB2      GLU  53  -5.828  -1.617   8.481
  387    HB3  GLU  53           HB1      GLU  53  -7.535  -1.924   8.190
  388    HG2  GLU  53           HG2      GLU  53  -6.987  -2.618   5.894
  389    HG3  GLU  53           HG1      GLU  53  -5.277  -2.381   6.248
  390    H    SER  54           HN       SER  54  -5.220   0.647   9.000
  391    HA   SER  54           HA       SER  54  -7.099   1.381  10.960
  392    HB2  SER  54           HB2      SER  54  -4.749   0.827  11.471
  393    HB3  SER  54           HB1      SER  54  -4.224   2.287  10.643
  394    HG   SER  54           HG       SER  54  -6.124   2.616  12.646
  395    H    ARG  55           HN       ARG  55  -5.589   3.216   8.368
  396    HA   ARG  55           HA       ARG  55  -6.335   5.757   9.460
  397    HB2  ARG  55           HB2      ARG  55  -4.338   5.495   8.058
  398    HB3  ARG  55           HB1      ARG  55  -5.354   5.066   6.691
  399    HG2  ARG  55           HG2      ARG  55  -6.243   7.244   6.533
  400    HG3  ARG  55           HG1      ARG  55  -5.598   7.699   8.111
  401    HD2  ARG  55           HD2      ARG  55  -3.945   7.016   5.681
  402    HD3  ARG  55           HD1      ARG  55  -4.287   8.647   6.262
  403    HE   ARG  55           HE       ARG  55  -3.202   7.554   8.432
  404   HH11  ARG  55          HH11      ARG  55  -2.121   7.559   5.078
  405   HH12  ARG  55          HH12      ARG  55  -0.450   7.343   5.519
  406   HH21  ARG  55          HH21      ARG  55  -1.039   7.287   8.974
  407   HH22  ARG  55          HH22      ARG  55   0.180   7.191   7.734
  408    H    TYR  56           HN       TYR  56  -7.533   3.791   6.741
  409    HA   TYR  56           HA       TYR  56  -9.584   5.804   6.238
  410    HB2  TYR  56           HB2      TYR  56  -8.705   3.365   4.702
  411    HB3  TYR  56           HB1      TYR  56 -10.084   4.352   4.228
  412    HD1  TYR  56           HD2      TYR  56  -9.713   6.743   3.584
  413    HD2  TYR  56           HD1      TYR  56  -6.499   4.043   4.247
  414    HE1  TYR  56           HE2      TYR  56  -8.200   8.261   2.378
  415    HE2  TYR  56           HE1      TYR  56  -4.973   5.552   3.051
  416    HH   TYR  56           HH       TYR  56  -5.391   7.474   1.131
  417    H    GLY  57           HN       GLY  57  -9.364   3.187   8.209
  418    HA2  GLY  57           HA2      GLY  57 -10.965   1.974   9.345
  419    HA3  GLY  57           HA1      GLY  57 -12.178   3.013   8.606
  420    H    VAL  58           HN       VAL  58  -9.833   1.078   6.880
  421    HA   VAL  58           HA       VAL  58 -12.045  -0.500   5.749
  422    HB   VAL  58           HB       VAL  58 -10.627  -0.857   3.761
  423   HG11  VAL  58          HG11      VAL  58 -10.815   1.368   2.810
  424   HG12  VAL  58          HG12      VAL  58 -11.015   2.055   4.422
  425   HG13  VAL  58          HG13      VAL  58 -12.243   0.968   3.768
  426   HG21  VAL  58          HG21      VAL  58  -8.738   1.079   5.095
  427   HG22  VAL  58          HG22      VAL  58  -8.611   0.504   3.433
  428   HG23  VAL  58          HG23      VAL  58  -8.437  -0.628   4.773
  429    H    SER  59           HN       SER  59 -10.725  -2.516   4.559
  430    HA   SER  59           HA       SER  59  -8.643  -3.587   6.214
  431    HB2  SER  59           HB2      SER  59 -10.831  -4.209   7.393
  432    HB3  SER  59           HB1      SER  59 -11.187  -5.211   5.992
  433    HG   SER  59           HG       SER  59  -8.662  -5.552   7.099
  434    H    ILE  60           HN       ILE  60  -7.407  -4.999   5.081
  435    HA   ILE  60           HA       ILE  60  -8.117  -5.298   2.256
  436    HB   ILE  60           HB       ILE  60  -5.473  -5.791   3.641
  437   HG12  ILE  60          HG12      ILE  60  -6.377  -3.470   1.914
  438   HG13  ILE  60          HG11      ILE  60  -6.162  -3.417   3.660
  439   HG21  ILE  60          HG21      ILE  60  -4.541  -5.844   1.365
  440   HG22  ILE  60          HG22      ILE  60  -6.170  -5.695   0.705
  441   HG23  ILE  60          HG23      ILE  60  -5.719  -7.133   1.620
  442   HD11  ILE  60          HD11      ILE  60  -3.993  -3.920   1.636
  443   HD12  ILE  60          HD12      ILE  60  -3.783  -3.847   3.385
  444   HD13  ILE  60          HD13      ILE  60  -4.285  -2.409   2.498
  445    HA   PRO  61           HA       PRO  61  -9.331  -9.505   3.302
  446    HB2  PRO  61           HB2      PRO  61  -9.584  -9.699   0.360
  447    HB3  PRO  61           HB1      PRO  61 -10.784 -10.031   1.615
  448    HG2  PRO  61           HG2      PRO  61 -10.944  -7.855   0.059
  449    HG3  PRO  61           HG1      PRO  61 -11.423  -7.813   1.766
  450    HD2  PRO  61           HD2      PRO  61  -8.922  -6.803   0.471
  451    HD3  PRO  61           HD1      PRO  61  -9.873  -6.092   1.789
  452    H    ASP  62           HN       ASP  62  -7.788 -10.935   3.730
  453    HA   ASP  62           HA       ASP  62  -5.268 -10.886   2.449
  454    HB2  ASP  62           HB2      ASP  62  -4.765 -12.888   3.879
  455    HB3  ASP  62           HB1      ASP  62  -5.284 -11.452   4.744
  456    H    ASP  63           HN       ASP  63  -8.105 -12.328   1.472
  457    HA   ASP  63           HA       ASP  63  -6.951 -14.577   0.104
  458    HB2  ASP  63           HB2      ASP  63  -9.622 -13.191  -0.143
  459    HB3  ASP  63           HB1      ASP  63  -9.158 -14.541  -1.170
  460    H    VAL  64           HN       VAL  64  -8.296 -11.472  -0.995
  461    HA   VAL  64           HA       VAL  64  -7.197 -11.812  -3.633
  462    HB   VAL  64           HB       VAL  64  -8.407  -9.287  -2.498
  463   HG11  VAL  64          HG11      VAL  64  -8.191 -10.329  -5.320
  464   HG12  VAL  64          HG12      VAL  64  -7.266  -8.998  -4.627
  465   HG13  VAL  64          HG13      VAL  64  -9.011  -8.846  -4.834
  466   HG21  VAL  64          HG21      VAL  64  -9.816 -11.623  -3.789
  467   HG22  VAL  64          HG22      VAL  64 -10.562 -10.074  -3.394
  468   HG23  VAL  64          HG23      VAL  64  -9.958 -11.117  -2.106
  469    H    ALA  65           HN       ALA  65  -5.990 -10.712  -0.695
  470    HA   ALA  65           HA       ALA  65  -4.355  -8.559  -1.445
  471    HB1  ALA  65           HB1      ALA  65  -3.166  -8.931   0.622
  472    HB2  ALA  65           HB2      ALA  65  -3.843 -10.556   0.745
  473    HB3  ALA  65           HB3      ALA  65  -4.896  -9.150   0.882
  474    H    GLY  66           HN       GLY  66  -3.780 -12.023  -1.516
  475    HA2  GLY  66           HA2      GLY  66  -1.010 -11.690  -2.297
  476    HA3  GLY  66           HA1      GLY  66  -1.873 -13.215  -2.144
  477    H    ARG  67           HN       ARG  67  -2.818 -10.409  -4.041
  478    HA   ARG  67           HA       ARG  67  -2.182 -11.773  -6.546
  479    HB2  ARG  67           HB2      ARG  67  -4.959 -10.951  -5.689
  480    HB3  ARG  67           HB1      ARG  67  -4.528 -11.226  -7.371
  481    HG2  ARG  67           HG2      ARG  67  -4.094 -13.519  -6.985
  482    HG3  ARG  67           HG1      ARG  67  -4.163 -13.305  -5.234
  483    HD2  ARG  67           HD2      ARG  67  -6.203 -14.350  -6.150
  484    HD3  ARG  67           HD1      ARG  67  -6.522 -12.811  -5.350
  485    HE   ARG  67           HE       ARG  67  -6.104 -12.535  -8.177
  486   HH11  ARG  67          HH11      ARG  67  -8.446 -13.388  -5.741
  487   HH12  ARG  67          HH12      ARG  67  -9.820 -12.890  -6.678
  488   HH21  ARG  67          HH21      ARG  67  -7.895 -11.915  -9.453
  489   HH22  ARG  67          HH22      ARG  67  -9.503 -12.071  -8.818
  490    H    VAL  68           HN       VAL  68  -1.155  -9.432  -5.174
  491    HA   VAL  68           HA       VAL  68  -1.759  -7.416  -7.220
  492    HB   VAL  68           HB       VAL  68  -2.968  -6.748  -5.211
  493   HG11  VAL  68          HG11      VAL  68  -0.303  -6.842  -3.806
  494   HG12  VAL  68          HG12      VAL  68  -1.705  -7.863  -3.487
  495   HG13  VAL  68          HG13      VAL  68  -1.776  -6.136  -3.141
  496   HG21  VAL  68          HG21      VAL  68  -0.539  -5.061  -5.765
  497   HG22  VAL  68          HG22      VAL  68  -1.970  -4.512  -4.894
  498   HG23  VAL  68          HG23      VAL  68  -2.099  -4.990  -6.586
  499    H    ASP  69           HN       ASP  69   0.005  -6.670  -8.196
  500    HA   ASP  69           HA       ASP  69   2.598  -7.540  -7.164
  501    HB2  ASP  69           HB2      ASP  69   1.729  -6.444  -9.836
  502    HB3  ASP  69           HB1      ASP  69   3.412  -6.751  -9.430
  503    H    THR  70           HN       THR  70   0.918  -4.584  -8.131
  504    HA   THR  70           HA       THR  70   3.184  -3.057  -7.032
  505    HB   THR  70           HB       THR  70   2.791  -1.336  -8.777
  506    HG1  THR  70           HG1      THR  70   1.111  -3.297 -10.009
  507   HG21  THR  70          HG21      THR  70   3.345  -4.102  -9.864
  508   HG22  THR  70          HG22      THR  70   4.528  -3.024  -9.127
  509   HG23  THR  70          HG23      THR  70   3.764  -2.581 -10.654
  510    HA   PRO  71           HA       PRO  71   0.505  -0.637  -4.401
  511    HB2  PRO  71           HB2      PRO  71   1.993   1.584  -5.768
  512    HB3  PRO  71           HB1      PRO  71   1.618   1.383  -4.052
  513    HG2  PRO  71           HG2      PRO  71   4.037   0.800  -4.931
  514    HG3  PRO  71           HG1      PRO  71   3.242  -0.279  -3.769
  515    HD2  PRO  71           HD2      PRO  71   3.669  -0.638  -6.698
  516    HD3  PRO  71           HD1      PRO  71   3.661  -1.851  -5.404
  517    H    ARG  72           HN       ARG  72   1.011   0.407  -7.752
  518    HA   ARG  72           HA       ARG  72  -1.148   2.149  -7.997
  519    HB2  ARG  72           HB2      ARG  72   0.818   1.065  -9.682
  520    HB3  ARG  72           HB1      ARG  72  -0.720   0.671 -10.440
  521    HG2  ARG  72           HG2      ARG  72  -0.183   3.447  -9.478
  522    HG3  ARG  72           HG1      ARG  72   0.452   2.892 -11.028
  523    HD2  ARG  72           HD2      ARG  72  -2.424   2.468 -10.380
  524    HD3  ARG  72           HD1      ARG  72  -1.887   4.071 -10.890
  525    HE   ARG  72           HE       ARG  72  -0.884   2.134 -12.668
  526   HH11  ARG  72          HH11      ARG  72  -3.898   3.699 -11.782
  527   HH12  ARG  72          HH12      ARG  72  -4.630   3.463 -13.336
  528   HH21  ARG  72          HH21      ARG  72  -1.823   1.850 -14.716
  529   HH22  ARG  72          HH22      ARG  72  -3.447   2.398 -15.015
  530    H    GLU  73           HN       GLU  73  -1.000  -1.349  -8.477
  531    HA   GLU  73           HA       GLU  73  -3.720  -1.710  -9.215
  532    HB2  GLU  73           HB2      GLU  73  -1.783  -3.617  -7.886
  533    HB3  GLU  73           HB1      GLU  73  -3.304  -4.076  -8.634
  534    HG2  GLU  73           HG2      GLU  73  -2.505  -3.714 -10.773
  535    HG3  GLU  73           HG1      GLU  73  -1.199  -2.668 -10.217
  536    H    LEU  74           HN       LEU  74  -1.969  -2.088  -6.165
  537    HA   LEU  74           HA       LEU  74  -3.988  -2.951  -4.494
  538    HB2  LEU  74           HB2      LEU  74  -1.352  -2.089  -4.231
  539    HB3  LEU  74           HB1      LEU  74  -2.263  -1.003  -3.204
  540    HG   LEU  74           HG       LEU  74  -2.053  -3.993  -2.994
  541   HD11  LEU  74          HD11      LEU  74  -1.422  -1.758  -1.072
  542   HD12  LEU  74          HD12      LEU  74  -0.243  -2.667  -2.011
  543   HD13  LEU  74          HD13      LEU  74  -1.197  -3.481  -0.770
  544   HD21  LEU  74          HD21      LEU  74  -4.379  -3.418  -2.647
  545   HD22  LEU  74          HD22      LEU  74  -3.921  -2.133  -1.531
  546   HD23  LEU  74          HD23      LEU  74  -3.629  -3.820  -1.102
  547    H    LEU  75           HN       LEU  75  -3.055   0.347  -5.293
  548    HA   LEU  75           HA       LEU  75  -4.682   1.745  -3.541
  549    HB2  LEU  75           HB2      LEU  75  -2.859   2.643  -5.034
  550    HB3  LEU  75           HB1      LEU  75  -4.012   2.591  -6.355
  551    HG   LEU  75           HG       LEU  75  -5.479   4.107  -4.929
  552   HD11  LEU  75          HD11      LEU  75  -4.288   5.471  -3.276
  553   HD12  LEU  75          HD12      LEU  75  -2.876   4.428  -3.453
  554   HD13  LEU  75          HD13      LEU  75  -4.382   3.776  -2.806
  555   HD21  LEU  75          HD21      LEU  75  -4.321   4.908  -6.900
  556   HD22  LEU  75          HD22      LEU  75  -2.836   5.116  -5.975
  557   HD23  LEU  75          HD23      LEU  75  -4.242   6.121  -5.622
  558    H    ASP  76           HN       ASP  76  -5.376   0.876  -6.923
  559    HA   ASP  76           HA       ASP  76  -7.965   1.997  -6.963
  560    HB2  ASP  76           HB2      ASP  76  -6.583   1.478  -8.978
  561    HB3  ASP  76           HB1      ASP  76  -6.904  -0.233  -8.709
  562    H    LEU  77           HN       LEU  77  -6.778  -1.221  -6.206
  563    HA   LEU  77           HA       LEU  77  -9.247  -2.556  -6.165
  564    HB2  LEU  77           HB2      LEU  77  -7.057  -3.685  -6.200
  565    HB3  LEU  77           HB1      LEU  77  -6.755  -3.142  -4.562
  566    HG   LEU  77           HG       LEU  77  -8.671  -4.485  -3.778
  567   HD11  LEU  77          HD11      LEU  77 -10.005  -4.487  -5.817
  568   HD12  LEU  77          HD12      LEU  77  -9.679  -6.135  -5.282
  569   HD13  LEU  77          HD13      LEU  77  -8.775  -5.454  -6.634
  570   HD21  LEU  77          HD21      LEU  77  -6.434  -5.415  -3.700
  571   HD22  LEU  77          HD22      LEU  77  -6.594  -5.988  -5.360
  572   HD23  LEU  77          HD23      LEU  77  -7.605  -6.677  -4.091
  573    H    ILE  78           HN       ILE  78  -7.406  -1.001  -3.542
  574    HA   ILE  78           HA       ILE  78  -9.263  -1.613  -1.501
  575    HB   ILE  78           HB       ILE  78  -7.226   0.618  -1.653
  576   HG12  ILE  78          HG12      ILE  78  -7.169  -2.085  -0.290
  577   HG13  ILE  78          HG11      ILE  78  -6.284  -1.648  -1.749
  578   HG21  ILE  78          HG21      ILE  78  -8.770  -0.387   0.740
  579   HG22  ILE  78          HG22      ILE  78  -8.981   1.177  -0.048
  580   HG23  ILE  78          HG23      ILE  78  -7.468   0.801   0.775
  581   HD11  ILE  78          HD11      ILE  78  -5.047   0.033  -0.456
  582   HD12  ILE  78          HD12      ILE  78  -4.813  -1.609   0.144
  583   HD13  ILE  78          HD13      ILE  78  -5.887  -0.501   1.001
  584    H    ASN  79           HN       ASN  79  -8.961   1.114  -3.724
  585    HA   ASN  79           HA       ASN  79 -10.917   2.775  -2.554
  586    HB2  ASN  79           HB2      ASN  79  -9.844   2.522  -5.353
  587    HB3  ASN  79           HB1      ASN  79 -11.192   3.601  -5.009
  588   HD21  ASN  79          HD21      ASN  79  -8.533   2.965  -2.799
  589   HD22  ASN  79          HD22      ASN  79  -7.847   4.549  -2.882
  590    H    GLY  80           HN       GLY  80 -11.160   0.175  -4.943
  591    HA2  GLY  80           HA2      GLY  80 -13.883   0.469  -5.576
  592    HA3  GLY  80           HA1      GLY  80 -12.949  -1.010  -5.739
  593    H    ALA  81           HN       ALA  81 -12.284  -1.381  -3.017
  594    HA   ALA  81           HA       ALA  81 -14.672  -2.691  -2.152
  595    HB1  ALA  81           HB1      ALA  81 -13.353  -3.447  -0.273
  596    HB2  ALA  81           HB2      ALA  81 -12.099  -2.263  -0.638
  597    HB3  ALA  81           HB3      ALA  81 -12.412  -3.593  -1.756
  598    H    LEU  82           HN       LEU  82 -13.024   0.265  -1.294
  599    HA   LEU  82           HA       LEU  82 -14.557   0.716   1.084
  600    HB2  LEU  82           HB2      LEU  82 -12.635   1.796   1.425
  601    HB3  LEU  82           HB1      LEU  82 -12.258   1.838  -0.282
  602    HG   LEU  82           HG       LEU  82 -13.864   3.819  -0.410
  603   HD11  LEU  82          HD11      LEU  82 -13.381   3.760   2.568
  604   HD12  LEU  82          HD12      LEU  82 -14.935   3.567   1.756
  605   HD13  LEU  82          HD13      LEU  82 -14.084   5.112   1.681
  606   HD21  LEU  82          HD21      LEU  82 -11.269   4.070   1.111
  607   HD22  LEU  82          HD22      LEU  82 -12.098   5.376   0.267
  608   HD23  LEU  82          HD23      LEU  82 -11.448   4.014  -0.643
  609    H    ALA  83           HN       ALA  83 -14.783   1.554  -2.281
  610    HA   ALA  83           HA       ALA  83 -16.454   3.809  -2.079
  611    HB1  ALA  83           HB1      ALA  83 -16.228   1.824  -4.340
  612    HB2  ALA  83           HB2      ALA  83 -15.202   3.240  -4.095
  613    HB3  ALA  83           HB3      ALA  83 -16.919   3.445  -4.443
  614    H    GLU  84           HN       GLU  84 -17.148   0.399  -1.894
  615    HA   GLU  84           HA       GLU  84 -20.014   0.909  -2.165
  616    HB2  GLU  84           HB2      GLU  84 -20.250  -1.551  -2.134
  617    HB3  GLU  84           HB1      GLU  84 -19.186  -0.986  -3.416
  618    HG2  GLU  84           HG2      GLU  84 -17.244  -1.602  -2.094
  619    HG3  GLU  84           HG1      GLU  84 -18.295  -2.131  -0.780
  620    H    ALA  85           HN       ALA  85 -17.852   1.132   0.247
  621    HA   ALA  85           HA       ALA  85 -19.357  -0.291   2.282
  622    HB1  ALA  85           HB1      ALA  85 -16.903  -0.284   2.341
  623    HB2  ALA  85           HB2      ALA  85 -17.600   0.408   3.804
  624    HB3  ALA  85           HB3      ALA  85 -16.920   1.464   2.567
  625    H    ALA  86           HN       ALA  86 -18.850   2.988   1.171
  626    HA   ALA  86           HA       ALA  86 -20.417   4.044   3.409
  627    HB1  ALA  86           HB1      ALA  86 -19.641   6.252   2.643
  628    HB2  ALA  86           HB2      ALA  86 -18.747   5.468   1.337
  629    HB3  ALA  86           HB3      ALA  86 -18.308   5.161   3.018
  630    H28  SXO  87          H28B      SXO  87   6.493 -12.050   7.110
  631   H28A  SXO  87          H28A      SXO  87   7.734 -12.979   7.951
  632    H30  SXO  87          H30A      SXO  87   4.830 -12.186   8.632
  633   H30A  SXO  87          H30C      SXO  87   4.345 -13.684   9.424
  634   H30B  SXO  87          H30B      SXO  87   5.912 -12.961   9.791
  635    H31  SXO  87          H31A      SXO  87   3.983 -14.894   7.292
  636   H31A  SXO  87          H31B      SXO  87   5.195 -14.783   6.012
  637   H31B  SXO  87          H31C      SXO  87   4.283 -13.352   6.494
  638    H32  SXO  87          H32A      SXO  87   6.972 -15.014   9.366
  639   HO33  SXO  87          H33A      SXO  87   7.109 -16.688   7.278
  640   HN36  SXO  87          H36A      SXO  87   4.487 -15.142  10.045
  641    H37  SXO  87          H37A      SXO  87   3.275 -17.690   9.231
  642   H37A  SXO  87          H37B      SXO  87   3.659 -17.422  10.930
  643    H38  SXO  87          H38B      SXO  87   2.192 -15.440  10.920
  644   H38A  SXO  87          H38A      SXO  87   1.333 -16.933  10.548
  645   HN41  SXO  87          H41A      SXO  87   0.289 -14.503   9.994
  646    H42  SXO  87          H42A      SXO  87   0.681 -13.457   7.417
  647   H42A  SXO  87          H42B      SXO  87  -0.576 -14.695   7.356
  648    H43  SXO  87          H43B      SXO  87  -1.838 -13.498   9.087
  649   H43A  SXO  87          H43A      SXO  87  -0.572 -12.261   9.140
  650    H2   SXO  87           H2A      SXO  87  -0.189  -9.183   5.816
  651    H2A  SXO  87           H2B      SXO  87  -1.902  -9.518   6.090
  652    H3   SXO  87           H3B      SXO  87  -0.065 -10.803   4.076
  653    H3A  SXO  87           H3A      SXO  87  -1.677 -11.416   4.447
  654    H4   SXO  87           H4A      SXO  87  -2.611  -9.213   3.809
  655    H4A  SXO  87           H4B      SXO  87  -1.785 -10.025   2.478
  656    H5   SXO  87           H5B      SXO  87  -0.638  -7.837   4.206
  657    H5A  SXO  87           H5A      SXO  87   0.207  -8.654   2.887
  658    H6   SXO  87           H6A      SXO  87  -2.306  -7.001   2.653
  659    H6A  SXO  87           H6B      SXO  87  -1.518  -7.851   1.321
  660    H7   SXO  87           H7A      SXO  87   0.491  -6.486   1.626
  661    H7A  SXO  87           H7B      SXO  87  -0.285  -5.644   2.978
  662    H8   SXO  87           H8C      SXO  87  -2.035  -4.854   1.463
  663    H8A  SXO  87           H8A      SXO  87  -1.239  -5.675   0.122
  664    H8B  SXO  87           H8B      SXO  87  -0.434  -4.334   0.935
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1 -17.097  13.183  -0.686
    2    H2   MET   1           HT2      MET   1 -15.937  14.389  -0.423
    3    H3   MET   1           HT3      MET   1 -17.546  14.815  -0.746
    4    HA   MET   1           HA       MET   1 -17.007  15.083   1.579
    5    HB2  MET   1           HB2      MET   1 -18.923  13.947   2.486
    6    HB3  MET   1           HB1      MET   1 -19.314  14.494   0.864
    7    HG2  MET   1           HG2      MET   1 -18.995  12.250   0.005
    8    HG3  MET   1           HG1      MET   1 -18.527  11.686   1.609
    9    HE1  MET   1           HE1      MET   1 -20.350   9.736   1.512
   10    HE2  MET   1           HE2      MET   1 -20.794  10.264  -0.111
   11    HE3  MET   1           HE3      MET   1 -22.042  10.012   1.111
   12    H    ALA   2           HN       ALA   2 -16.219  11.929   0.299
   13    HA   ALA   2           HA       ALA   2 -15.436  10.978   2.954
   14    HB1  ALA   2           HB1      ALA   2 -16.817   9.513   1.527
   15    HB2  ALA   2           HB2      ALA   2 -15.266   8.789   1.948
   16    HB3  ALA   2           HB3      ALA   2 -15.510   9.473   0.342
   17    H    THR   3           HN       THR   3 -13.363  10.101   3.342
   18    HA   THR   3           HA       THR   3 -11.273  11.291   1.660
   19    HB   THR   3           HB       THR   3 -11.107  11.966   3.957
   20    HG1  THR   3           HG1      THR   3  -9.148  10.002   3.303
   21   HG21  THR   3          HG21      THR   3 -11.056   9.037   4.675
   22   HG22  THR   3          HG22      THR   3 -12.353  10.179   5.027
   23   HG23  THR   3          HG23      THR   3 -10.777  10.372   5.796
   24    H    LEU   4           HN       LEU   4 -10.721   9.939   0.097
   25    HA   LEU   4           HA       LEU   4 -10.688   7.069   0.481
   26    HB2  LEU   4           HB2      LEU   4  -9.853   8.698  -1.925
   27    HB3  LEU   4           HB1      LEU   4 -10.128   6.967  -1.886
   28    HG   LEU   4           HG       LEU   4 -12.266   9.041  -1.410
   29   HD11  LEU   4          HD11      LEU   4 -13.081   8.424  -3.636
   30   HD12  LEU   4          HD12      LEU   4 -11.665   7.397  -3.864
   31   HD13  LEU   4          HD13      LEU   4 -11.472   9.143  -3.703
   32   HD21  LEU   4          HD21      LEU   4 -12.696   6.906  -0.302
   33   HD22  LEU   4          HD22      LEU   4 -12.441   6.061  -1.829
   34   HD23  LEU   4          HD23      LEU   4 -13.805   7.165  -1.648
   35    H    LEU   5           HN       LEU   5  -8.684   5.926  -0.568
   36    HA   LEU   5           HA       LEU   5  -6.298   6.872   0.785
   37    HB2  LEU   5           HB2      LEU   5  -7.211   4.386   0.374
   38    HB3  LEU   5           HB1      LEU   5  -6.255   4.545  -1.083
   39    HG   LEU   5           HG       LEU   5  -5.182   4.884   1.722
   40   HD11  LEU   5          HD11      LEU   5  -4.930   2.565  -0.186
   41   HD12  LEU   5          HD12      LEU   5  -5.897   2.594   1.289
   42   HD13  LEU   5          HD13      LEU   5  -4.140   2.711   1.383
   43   HD21  LEU   5          HD21      LEU   5  -3.946   6.134   0.000
   44   HD22  LEU   5          HD22      LEU   5  -3.726   4.638  -0.912
   45   HD23  LEU   5          HD23      LEU   5  -2.998   4.818   0.685
   46    H    THR   6           HN       THR   6  -4.833   8.148  -0.208
   47    HA   THR   6           HA       THR   6  -5.106   8.537  -3.106
   48    HB   THR   6           HB       THR   6  -3.662  10.674  -2.291
   49    HG1  THR   6           HG1      THR   6  -3.944  11.041  -0.204
   50   HG21  THR   6          HG21      THR   6  -5.748  10.716  -3.611
   51   HG22  THR   6          HG22      THR   6  -5.755  11.932  -2.335
   52   HG23  THR   6          HG23      THR   6  -6.676  10.441  -2.137
   53    H    THR   7           HN       THR   7  -3.102   9.258  -4.242
   54    HA   THR   7           HA       THR   7  -1.154   7.280  -4.215
   55    HB   THR   7           HB       THR   7   0.138   9.175  -5.544
   56    HG1  THR   7           HG1      THR   7  -1.740  10.507  -6.459
   57   HG21  THR   7          HG21      THR   7  -0.808   7.178  -6.557
   58   HG22  THR   7          HG22      THR   7  -1.185   8.597  -7.535
   59   HG23  THR   7          HG23      THR   7  -2.423   7.891  -6.496
   60    H    ASP   8           HN       ASP   8  -0.759  10.691  -3.210
   61    HA   ASP   8           HA       ASP   8   1.882  10.391  -2.300
   62    HB2  ASP   8           HB2      ASP   8  -0.196  12.426  -1.459
   63    HB3  ASP   8           HB1      ASP   8   1.522  12.532  -1.099
   64    H    ASP   9           HN       ASP   9  -1.205  10.160  -0.634
   65    HA   ASP   9           HA       ASP   9  -0.130   9.774   1.950
   66    HB2  ASP   9           HB2      ASP   9  -2.821   9.151   0.743
   67    HB3  ASP   9           HB1      ASP   9  -2.446   8.820   2.433
   68    H    LEU  10           HN       LEU  10  -0.763   7.609  -0.721
   69    HA   LEU  10           HA       LEU  10  -0.325   5.201   0.730
   70    HB2  LEU  10           HB2      LEU  10  -1.408   5.262  -1.490
   71    HB3  LEU  10           HB1      LEU  10   0.107   5.779  -2.206
   72    HG   LEU  10           HG       LEU  10   1.137   3.635  -1.554
   73   HD11  LEU  10          HD11      LEU  10  -0.221   3.145   0.402
   74   HD12  LEU  10          HD12      LEU  10  -0.278   1.808  -0.747
   75   HD13  LEU  10          HD13      LEU  10  -1.639   2.923  -0.621
   76   HD21  LEU  10          HD21      LEU  10  -1.414   3.366  -3.139
   77   HD22  LEU  10          HD22      LEU  10  -0.064   2.232  -3.165
   78   HD23  LEU  10          HD23      LEU  10   0.153   3.875  -3.769
   79    H    ARG  11           HN       ARG  11   1.758   7.368  -1.157
   80    HA   ARG  11           HA       ARG  11   4.198   6.070  -0.832
   81    HB2  ARG  11           HB2      ARG  11   3.828   8.114  -2.219
   82    HB3  ARG  11           HB1      ARG  11   3.721   9.060  -0.741
   83    HG2  ARG  11           HG2      ARG  11   6.028   8.464  -0.188
   84    HG3  ARG  11           HG1      ARG  11   6.140   7.517  -1.670
   85    HD2  ARG  11           HD2      ARG  11   7.136   9.550  -2.219
   86    HD3  ARG  11           HD1      ARG  11   5.507   9.683  -2.876
   87    HE   ARG  11           HE       ARG  11   6.374  10.936  -0.346
   88   HH11  ARG  11          HH11      ARG  11   4.425  10.914  -3.247
   89   HH12  ARG  11          HH12      ARG  11   3.780  12.504  -2.994
   90   HH21  ARG  11          HH21      ARG  11   5.597  13.058  -0.032
   91   HH22  ARG  11          HH22      ARG  11   4.464  13.738  -1.171
   92    H    ARG  12           HN       ARG  12   2.530   8.355   1.274
   93    HA   ARG  12           HA       ARG  12   4.339   8.465   3.386
   94    HB2  ARG  12           HB2      ARG  12   1.340   8.667   3.283
   95    HB3  ARG  12           HB1      ARG  12   2.227   8.824   4.792
   96    HG2  ARG  12           HG2      ARG  12   3.451  10.731   3.861
   97    HG3  ARG  12           HG1      ARG  12   2.533  10.571   2.360
   98    HD2  ARG  12           HD2      ARG  12   1.607  12.319   3.816
   99    HD3  ARG  12           HD1      ARG  12   0.462  11.008   3.549
  100    HE   ARG  12           HE       ARG  12   1.729  10.341   5.887
  101   HH11  ARG  12          HH11      ARG  12  -0.126  13.092   4.740
  102   HH12  ARG  12          HH12      ARG  12  -0.657  13.549   6.332
  103   HH21  ARG  12          HH21      ARG  12   1.025  10.938   7.963
  104   HH22  ARG  12          HH22      ARG  12  -0.008  12.327   8.169
  105    H    ALA  13           HN       ALA  13   1.884   6.077   2.620
  106    HA   ALA  13           HA       ALA  13   1.696   4.833   5.108
  107    HB1  ALA  13           HB1      ALA  13   0.642   3.006   3.939
  108    HB2  ALA  13           HB2      ALA  13   1.303   3.569   2.403
  109    HB3  ALA  13           HB3      ALA  13   0.102   4.540   3.254
  110    H    LEU  14           HN       LEU  14   3.828   4.134   2.354
  111    HA   LEU  14           HA       LEU  14   4.994   1.817   3.443
  112    HB2  LEU  14           HB2      LEU  14   5.961   3.819   1.418
  113    HB3  LEU  14           HB1      LEU  14   6.977   2.488   1.931
  114    HG   LEU  14           HG       LEU  14   5.976   1.826  -0.107
  115   HD11  LEU  14          HD11      LEU  14   6.054   0.072   1.547
  116   HD12  LEU  14          HD12      LEU  14   4.618  -0.115   0.540
  117   HD13  LEU  14          HD13      LEU  14   4.476   0.548   2.168
  118   HD21  LEU  14          HD21      LEU  14   3.562   1.837  -0.505
  119   HD22  LEU  14          HD22      LEU  14   4.172   3.461  -0.189
  120   HD23  LEU  14          HD23      LEU  14   3.306   2.587   1.073
  121    H    VAL  15           HN       VAL  15   6.004   5.208   3.559
  122    HA   VAL  15           HA       VAL  15   8.378   4.829   5.033
  123    HB   VAL  15           HB       VAL  15   6.591   7.273   4.956
  124   HG11  VAL  15          HG11      VAL  15   9.523   7.006   5.605
  125   HG12  VAL  15          HG12      VAL  15   8.230   7.373   6.748
  126   HG13  VAL  15          HG13      VAL  15   8.631   8.521   5.470
  127   HG21  VAL  15          HG21      VAL  15   8.900   6.522   3.165
  128   HG22  VAL  15          HG22      VAL  15   8.002   8.039   3.114
  129   HG23  VAL  15          HG23      VAL  15   7.198   6.522   2.711
  130    H    GLU  16           HN       GLU  16   5.109   5.792   6.054
  131    HA   GLU  16           HA       GLU  16   5.725   6.072   8.785
  132    HB2  GLU  16           HB2      GLU  16   3.094   5.603   7.389
  133    HB3  GLU  16           HB1      GLU  16   3.236   5.961   9.103
  134    HG2  GLU  16           HG2      GLU  16   4.280   8.112   8.560
  135    HG3  GLU  16           HG1      GLU  16   4.118   7.751   6.840
  136    H    SER  17           HN       SER  17   5.186   3.229   6.923
  137    HA   SER  17           HA       SER  17   4.440   1.663   9.253
  138    HB2  SER  17           HB2      SER  17   4.890   0.810   6.393
  139    HB3  SER  17           HB1      SER  17   4.261  -0.215   7.683
  140    HG   SER  17           HG       SER  17   3.048   1.894   6.309
  141    H    ALA  18           HN       ALA  18   7.024   1.388   6.776
  142    HA   ALA  18           HA       ALA  18   8.451  -0.469   8.467
  143    HB1  ALA  18           HB1      ALA  18   9.278   0.719   5.825
  144    HB2  ALA  18           HB2      ALA  18   8.363  -0.775   6.031
  145    HB3  ALA  18           HB3      ALA  18  10.018  -0.663   6.632
  146    H    GLY  19           HN       GLY  19   9.229   2.718   7.048
  147    HA2  GLY  19           HA2      GLY  19  10.110   4.434   8.515
  148    HA3  GLY  19           HA1      GLY  19  10.921   3.162   9.415
  149    H    GLU  20           HN       GLU  20  11.276   2.432   6.181
  150    HA   GLU  20           HA       GLU  20  14.007   3.276   6.171
  151    HB2  GLU  20           HB2      GLU  20  13.196   1.218   4.975
  152    HB3  GLU  20           HB1      GLU  20  12.408   2.267   3.803
  153    HG2  GLU  20           HG2      GLU  20  14.533   3.174   3.117
  154    HG3  GLU  20           HG1      GLU  20  15.364   2.279   4.385
  155    H    THR  21           HN       THR  21  14.739   5.212   5.669
  156    HA   THR  21           HA       THR  21  12.885   7.239   4.833
  157    HB   THR  21           HB       THR  21  14.867   8.762   5.157
  158    HG1  THR  21           HG1      THR  21  16.318   6.738   4.842
  159   HG21  THR  21          HG21      THR  21  14.883   8.547   7.583
  160   HG22  THR  21          HG22      THR  21  14.210   6.923   7.457
  161   HG23  THR  21          HG23      THR  21  13.251   8.315   6.958
  162    H    ASP  22           HN       ASP  22  15.888   8.139   3.719
  163    HA   ASP  22           HA       ASP  22  15.050   8.147   0.994
  164    HB2  ASP  22           HB2      ASP  22  17.799   8.747   2.114
  165    HB3  ASP  22           HB1      ASP  22  17.180   9.220   0.535
  166    H    GLY  23           HN       GLY  23  14.712   5.825   0.826
  167    HA2  GLY  23           HA2      GLY  23  17.158   4.230   0.594
  168    HA3  GLY  23           HA1      GLY  23  15.513   3.610   0.591
  169    H    THR  24           HN       THR  24  14.395   5.259  -1.356
  170    HA   THR  24           HA       THR  24  15.949   5.082  -3.758
  171    HB   THR  24           HB       THR  24  15.235   2.721  -3.463
  172    HG1  THR  24           HG1      THR  24  14.991   2.572  -5.574
  173   HG21  THR  24          HG21      THR  24  12.883   2.106  -3.720
  174   HG22  THR  24          HG22      THR  24  12.437   3.812  -3.781
  175   HG23  THR  24          HG23      THR  24  13.112   3.132  -2.302
  176    H    ASP  25           HN       ASP  25  13.907   5.161  -5.634
  177    HA   ASP  25           HA       ASP  25  12.896   7.832  -5.118
  178    HB2  ASP  25           HB2      ASP  25  13.346   6.179  -7.507
  179    HB3  ASP  25           HB1      ASP  25  11.922   7.208  -7.583
  180    H    LEU  26           HN       LEU  26  11.439   7.111  -3.435
  181    HA   LEU  26           HA       LEU  26   9.095   5.625  -4.235
  182    HB2  LEU  26           HB2      LEU  26  10.088   5.477  -1.954
  183    HB3  LEU  26           HB1      LEU  26   9.641   7.150  -1.681
  184    HG   LEU  26           HG       LEU  26   7.254   6.498  -1.957
  185   HD11  LEU  26          HD11      LEU  26   6.668   4.122  -1.838
  186   HD12  LEU  26          HD12      LEU  26   8.373   3.701  -1.990
  187   HD13  LEU  26          HD13      LEU  26   7.547   4.511  -3.320
  188   HD21  LEU  26          HD21      LEU  26   7.059   5.405   0.222
  189   HD22  LEU  26          HD22      LEU  26   8.251   6.704   0.257
  190   HD23  LEU  26          HD23      LEU  26   8.781   5.024   0.186
  191    H    SER  27           HN       SER  27  10.150   8.826  -4.387
  192    HA   SER  27           HA       SER  27   7.514  10.020  -4.214
  193    HB2  SER  27           HB2      SER  27  10.154  11.299  -4.951
  194    HB3  SER  27           HB1      SER  27   8.671  12.134  -4.497
  195    HG   SER  27           HG       SER  27  10.187  11.930  -2.759
  196    H    GLY  28           HN       GLY  28   9.326   8.474  -6.572
  197    HA2  GLY  28           HA2      GLY  28   8.216  10.037  -8.786
  198    HA3  GLY  28           HA1      GLY  28   9.402   8.744  -8.920
  199    H    ASP  29           HN       ASP  29   8.464   7.336 -10.287
  200    HA   ASP  29           HA       ASP  29   5.648   6.731 -10.132
  201    HB2  ASP  29           HB2      ASP  29   7.857   5.549 -11.822
  202    HB3  ASP  29           HB1      ASP  29   6.160   5.090 -11.948
  203    H    PHE  30           HN       PHE  30   6.267   6.106  -7.733
  204    HA   PHE  30           HA       PHE  30   7.479   3.580  -7.303
  205    HB2  PHE  30           HB2      PHE  30   6.728   3.759  -5.033
  206    HB3  PHE  30           HB1      PHE  30   7.206   5.364  -5.559
  207    HD1  PHE  30           HD2      PHE  30   5.228   6.877  -6.456
  208    HD2  PHE  30           HD1      PHE  30   4.744   3.482  -3.939
  209    HE1  PHE  30           HE2      PHE  30   3.042   7.738  -5.722
  210    HE2  PHE  30           HE1      PHE  30   2.557   4.330  -3.202
  211    HZ   PHE  30           HZ       PHE  30   1.707   6.460  -4.094
  212    H    LEU  31           HN       LEU  31   4.260   4.608  -8.047
  213    HA   LEU  31           HA       LEU  31   2.775   2.324  -7.484
  214    HB2  LEU  31           HB2      LEU  31   2.464   4.249  -9.784
  215    HB3  LEU  31           HB1      LEU  31   1.248   3.110  -9.248
  216    HG   LEU  31           HG       LEU  31   2.310   5.413  -7.616
  217   HD11  LEU  31          HD11      LEU  31   0.964   6.147  -9.514
  218   HD12  LEU  31          HD12      LEU  31   0.131   6.421  -7.984
  219   HD13  LEU  31          HD13      LEU  31  -0.333   5.064  -9.009
  220   HD21  LEU  31          HD21      LEU  31   0.102   3.431  -7.075
  221   HD22  LEU  31          HD22      LEU  31   0.425   4.875  -6.116
  222   HD23  LEU  31          HD23      LEU  31   1.622   3.583  -6.194
  223    H    ASP  32           HN       ASP  32   5.187   2.838  -9.876
  224    HA   ASP  32           HA       ASP  32   4.139   0.776 -11.661
  225    HB2  ASP  32           HB2      ASP  32   4.982   3.059 -12.440
  226    HB3  ASP  32           HB1      ASP  32   6.599   2.475 -12.067
  227    H    LEU  33           HN       LEU  33   6.591   1.278  -9.288
  228    HA   LEU  33           HA       LEU  33   8.106  -1.080 -10.080
  229    HB2  LEU  33           HB2      LEU  33   8.466   1.008  -7.950
  230    HB3  LEU  33           HB1      LEU  33   9.368  -0.493  -7.896
  231    HG   LEU  33           HG       LEU  33  10.757   1.196  -8.866
  232   HD11  LEU  33          HD11      LEU  33  11.244   0.207 -11.065
  233   HD12  LEU  33          HD12      LEU  33   9.723  -0.684 -10.983
  234   HD13  LEU  33          HD13      LEU  33  11.003  -1.012  -9.814
  235   HD21  LEU  33          HD21      LEU  33   8.566   1.632 -10.887
  236   HD22  LEU  33          HD22      LEU  33  10.161   2.382 -10.918
  237   HD23  LEU  33          HD23      LEU  33   9.038   2.749  -9.609
  238    H    ARG  34           HN       ARG  34   8.342  -2.922  -8.718
  239    HA   ARG  34           HA       ARG  34   5.970  -3.649  -7.302
  240    HB2  ARG  34           HB2      ARG  34   8.628  -4.943  -7.760
  241    HB3  ARG  34           HB1      ARG  34   7.507  -5.627  -6.594
  242    HG2  ARG  34           HG2      ARG  34   5.865  -5.966  -8.331
  243    HG3  ARG  34           HG1      ARG  34   6.915  -5.169  -9.510
  244    HD2  ARG  34           HD2      ARG  34   8.324  -6.940  -9.666
  245    HD3  ARG  34           HD1      ARG  34   8.091  -7.411  -7.982
  246    HE   ARG  34           HE       ARG  34   5.751  -7.854  -9.568
  247   HH11  ARG  34          HH11      ARG  34   8.900  -9.163  -8.696
  248   HH12  ARG  34          HH12      ARG  34   8.433 -10.809  -8.996
  249   HH21  ARG  34          HH21      ARG  34   5.152 -10.017  -9.943
  250   HH22  ARG  34          HH22      ARG  34   6.311 -11.298  -9.721
  251    H    PHE  35           HN       PHE  35   5.795  -4.223  -5.086
  252    HA   PHE  35           HA       PHE  35   6.923  -2.549  -3.179
  253    HB2  PHE  35           HB2      PHE  35   5.820  -5.346  -2.849
  254    HB3  PHE  35           HB1      PHE  35   6.173  -4.251  -1.517
  255    HD1  PHE  35           HD2      PHE  35   4.953  -2.009  -1.479
  256    HD2  PHE  35           HD1      PHE  35   3.750  -5.281  -3.908
  257    HE1  PHE  35           HE2      PHE  35   2.705  -1.026  -1.672
  258    HE2  PHE  35           HE1      PHE  35   1.497  -4.308  -4.111
  259    HZ   PHE  35           HZ       PHE  35   0.974  -2.173  -2.990
  260    H    GLU  36           HN       GLU  36   7.931  -5.781  -4.211
  261    HA   GLU  36           HA       GLU  36  10.105  -6.099  -2.476
  262    HB2  GLU  36           HB2      GLU  36  10.942  -7.732  -4.148
  263    HB3  GLU  36           HB1      GLU  36   9.253  -7.974  -3.728
  264    HG2  GLU  36           HG2      GLU  36   8.506  -7.092  -5.776
  265    HG3  GLU  36           HG1      GLU  36  10.094  -6.431  -6.155
  266    H    ASP  37           HN       ASP  37   9.762  -4.191  -5.365
  267    HA   ASP  37           HA       ASP  37  12.600  -4.033  -5.862
  268    HB2  ASP  37           HB2      ASP  37  10.247  -2.602  -7.102
  269    HB3  ASP  37           HB1      ASP  37  11.913  -2.259  -7.545
  270    H    ILE  38           HN       ILE  38  10.146  -2.147  -4.244
  271    HA   ILE  38           HA       ILE  38  12.018   0.023  -3.782
  272    HB   ILE  38           HB       ILE  38  10.165   1.034  -2.421
  273   HG12  ILE  38          HG12      ILE  38   8.583  -1.292  -3.539
  274   HG13  ILE  38          HG11      ILE  38   9.000  -1.061  -1.845
  275   HG21  ILE  38          HG21      ILE  38   9.583   0.315  -5.291
  276   HG22  ILE  38          HG22      ILE  38  10.522   1.691  -4.713
  277   HG23  ILE  38          HG23      ILE  38   8.790   1.608  -4.390
  278   HD11  ILE  38          HD11      ILE  38   7.651   0.958  -1.781
  279   HD12  ILE  38          HD12      ILE  38   6.695  -0.431  -2.302
  280   HD13  ILE  38          HD13      ILE  38   7.250   0.756  -3.485
  281    H    GLY  39           HN       GLY  39  11.766  -2.937  -2.555
  282    HA2  GLY  39           HA2      GLY  39  13.153  -3.756  -0.878
  283    HA3  GLY  39           HA1      GLY  39  13.324  -2.126  -0.255
  284    H    TYR  40           HN       TYR  40  10.228  -3.747  -0.799
  285    HA   TYR  40           HA       TYR  40   9.911  -3.855   2.125
  286    HB2  TYR  40           HB2      TYR  40   7.921  -3.106  -0.006
  287    HB3  TYR  40           HB1      TYR  40   7.416  -3.598   1.610
  288    HD1  TYR  40           HD1      TYR  40   9.531  -1.129  -0.198
  289    HD2  TYR  40           HD2      TYR  40   7.390  -2.034   3.365
  290    HE1  TYR  40           HE1      TYR  40   9.859   1.181   0.582
  291    HE2  TYR  40           HE2      TYR  40   7.718   0.267   4.155
  292    HH   TYR  40           HH       TYR  40   9.069   2.161   3.809
  293    H    ASP  41           HN       ASP  41   9.647  -5.767   2.952
  294    HA   ASP  41           HA       ASP  41   9.257  -8.054   1.184
  295    HB2  ASP  41           HB2      ASP  41  10.217  -9.369   2.900
  296    HB3  ASP  41           HB1      ASP  41  11.127  -7.861   2.944
  297    H    SER  42           HN       SER  42   8.169  -9.935   2.690
  298    HA   SER  42           HA       SER  42   5.428  -9.489   2.607
  299    HB2  SER  42           HB2      SER  42   5.287 -11.619   3.916
  300    HB3  SER  42           HB1      SER  42   6.347 -11.724   2.506
  301    H    LEU  43           HN       LEU  43   7.648  -9.444   5.385
  302    HA   LEU  43           HA       LEU  43   5.641  -9.095   7.350
  303    HB2  LEU  43           HB2      LEU  43   7.900  -9.922   7.853
  304    HB3  LEU  43           HB1      LEU  43   8.570  -8.356   7.442
  305    HG   LEU  43           HG       LEU  43   7.357  -7.352   9.342
  306   HD11  LEU  43          HD11      LEU  43   6.554 -10.197   9.951
  307   HD12  LEU  43          HD12      LEU  43   5.473  -8.907   9.426
  308   HD13  LEU  43          HD13      LEU  43   6.280  -8.800  10.991
  309   HD21  LEU  43          HD21      LEU  43   9.649  -8.152   9.616
  310   HD22  LEU  43          HD22      LEU  43   9.038  -9.739  10.083
  311   HD23  LEU  43          HD23      LEU  43   8.719  -8.333  11.102
  312    H    ALA  44           HN       ALA  44   7.865  -6.752   5.829
  313    HA   ALA  44           HA       ALA  44   6.797  -4.484   7.099
  314    HB1  ALA  44           HB1      ALA  44   8.123  -4.648   4.398
  315    HB2  ALA  44           HB2      ALA  44   8.955  -4.462   5.943
  316    HB3  ALA  44           HB3      ALA  44   7.889  -3.185   5.352
  317    H    LEU  45           HN       LEU  45   5.866  -6.209   4.190
  318    HA   LEU  45           HA       LEU  45   4.085  -4.268   3.170
  319    HB2  LEU  45           HB2      LEU  45   5.064  -6.258   1.946
  320    HB3  LEU  45           HB1      LEU  45   3.874  -7.246   2.775
  321    HG   LEU  45           HG       LEU  45   2.067  -5.954   1.714
  322   HD11  LEU  45          HD11      LEU  45   3.220  -3.840   1.451
  323   HD12  LEU  45          HD12      LEU  45   2.604  -4.404  -0.104
  324   HD13  LEU  45          HD13      LEU  45   4.320  -4.562   0.276
  325   HD21  LEU  45          HD21      LEU  45   2.837  -7.988   0.643
  326   HD22  LEU  45          HD22      LEU  45   4.102  -7.093  -0.199
  327   HD23  LEU  45          HD23      LEU  45   2.407  -6.786  -0.574
  328    H    MET  46           HN       MET  46   3.539  -7.111   5.258
  329    HA   MET  46           HA       MET  46   0.733  -6.701   5.395
  330    HB2  MET  46           HB2      MET  46   0.699  -8.342   7.187
  331    HB3  MET  46           HB1      MET  46   1.713  -8.897   5.863
  332    HG2  MET  46           HG2      MET  46   3.696  -8.473   7.089
  333    HG3  MET  46           HG1      MET  46   2.817  -7.575   8.325
  334    HE1  MET  46           HE1      MET  46   0.803 -10.391  10.127
  335    HE2  MET  46           HE2      MET  46   0.249  -9.412   8.768
  336    HE3  MET  46           HE3      MET  46   1.180  -8.668  10.066
  337    H    GLU  47           HN       GLU  47   3.434  -5.594   7.398
  338    HA   GLU  47           HA       GLU  47   1.825  -4.414   9.409
  339    HB2  GLU  47           HB2      GLU  47   4.631  -3.788   8.492
  340    HB3  GLU  47           HB1      GLU  47   3.857  -2.966   9.842
  341    HG2  GLU  47           HG2      GLU  47   3.503  -5.236  10.866
  342    HG3  GLU  47           HG1      GLU  47   4.573  -5.874   9.616
  343    H    THR  48           HN       THR  48   3.009  -3.254   6.308
  344    HA   THR  48           HA       THR  48   2.106  -0.595   6.507
  345    HB   THR  48           HB       THR  48   2.292  -2.288   4.004
  346    HG1  THR  48           HG1      THR  48   4.289  -2.207   5.110
  347   HG21  THR  48          HG21      THR  48   1.025  -0.204   3.691
  348   HG22  THR  48          HG22      THR  48   2.569  -0.156   2.840
  349   HG23  THR  48          HG23      THR  48   2.374   0.713   4.363
  350    H    ALA  49           HN       ALA  49   0.505  -3.562   5.429
  351    HA   ALA  49           HA       ALA  49  -1.919  -2.510   4.548
  352    HB1  ALA  49           HB1      ALA  49  -1.505  -5.114   6.011
  353    HB2  ALA  49           HB2      ALA  49  -1.255  -4.862   4.287
  354    HB3  ALA  49           HB3      ALA  49  -2.871  -4.699   4.974
  355    H    ALA  50           HN       ALA  50  -1.015  -3.602   7.804
  356    HA   ALA  50           HA       ALA  50  -3.430  -3.052   9.101
  357    HB1  ALA  50           HB1      ALA  50  -1.652  -4.405  10.085
  358    HB2  ALA  50           HB2      ALA  50  -2.143  -3.103  11.168
  359    HB3  ALA  50           HB3      ALA  50  -0.644  -2.968  10.253
  360    H    ARG  51           HN       ARG  51  -0.885  -0.940   8.086
  361    HA   ARG  51           HA       ARG  51  -1.548   1.251   9.788
  362    HB2  ARG  51           HB2      ARG  51   0.648   1.423   9.177
  363    HB3  ARG  51           HB1      ARG  51   0.389   0.613   7.643
  364    HG2  ARG  51           HG2      ARG  51   1.002   2.749   7.032
  365    HG3  ARG  51           HG1      ARG  51  -0.756   2.759   6.918
  366    HD2  ARG  51           HD2      ARG  51  -0.038   4.789   7.984
  367    HD3  ARG  51           HD1      ARG  51  -0.847   3.775   9.182
  368    HE   ARG  51           HE       ARG  51   1.999   3.411   9.111
  369   HH11  ARG  51          HH11      ARG  51  -0.586   5.359  10.441
  370   HH12  ARG  51          HH12      ARG  51   0.345   5.895  11.806
  371   HH21  ARG  51          HH21      ARG  51   3.236   4.118  10.907
  372   HH22  ARG  51          HH22      ARG  51   2.506   5.171  12.080
  373    H    LEU  52           HN       LEU  52  -2.475   0.085   6.642
  374    HA   LEU  52           HA       LEU  52  -3.734   2.553   5.836
  375    HB2  LEU  52           HB2      LEU  52  -3.812  -0.215   4.637
  376    HB3  LEU  52           HB1      LEU  52  -4.532   1.208   3.908
  377    HG   LEU  52           HG       LEU  52  -1.581   0.829   4.438
  378   HD11  LEU  52          HD11      LEU  52  -1.412   0.676   1.991
  379   HD12  LEU  52          HD12      LEU  52  -3.172   0.694   1.880
  380   HD13  LEU  52          HD13      LEU  52  -2.355  -0.647   2.680
  381   HD21  LEU  52          HD21      LEU  52  -1.331   2.854   3.084
  382   HD22  LEU  52          HD22      LEU  52  -2.251   3.160   4.556
  383   HD23  LEU  52          HD23      LEU  52  -3.086   3.016   3.010
  384    H    GLU  53           HN       GLU  53  -4.704  -0.575   7.096
  385    HA   GLU  53           HA       GLU  53  -7.437  -0.466   6.641
  386    HB2  GLU  53           HB2      GLU  53  -5.984  -1.712   8.979
  387    HB3  GLU  53           HB1      GLU  53  -7.643  -2.058   8.514
  388    HG2  GLU  53           HG2      GLU  53  -6.855  -2.939   6.368
  389    HG3  GLU  53           HG1      GLU  53  -5.193  -2.603   6.855
  390    H    SER  54           HN       SER  54  -5.750   0.426   9.654
  391    HA   SER  54           HA       SER  54  -8.093   1.404  10.919
  392    HB2  SER  54           HB2      SER  54  -6.356   2.392  12.534
  393    HB3  SER  54           HB1      SER  54  -6.371   0.640  12.337
  394    HG   SER  54           HG       SER  54  -4.344   0.884  11.858
  395    H    ARG  55           HN       ARG  55  -5.780   2.845   8.798
  396    HA   ARG  55           HA       ARG  55  -6.236   5.543   9.652
  397    HB2  ARG  55           HB2      ARG  55  -4.078   4.806   8.716
  398    HB3  ARG  55           HB1      ARG  55  -4.863   4.466   7.184
  399    HG2  ARG  55           HG2      ARG  55  -5.256   6.773   6.770
  400    HG3  ARG  55           HG1      ARG  55  -4.765   7.207   8.409
  401    HD2  ARG  55           HD2      ARG  55  -2.510   6.693   7.983
  402    HD3  ARG  55           HD1      ARG  55  -2.905   5.817   6.506
  403    HE   ARG  55           HE       ARG  55  -3.704   8.262   5.850
  404   HH11  ARG  55          HH11      ARG  55  -0.834   7.294   7.588
  405   HH12  ARG  55          HH12      ARG  55   0.193   8.488   6.855
  406   HH21  ARG  55          HH21      ARG  55  -2.371   9.871   4.876
  407   HH22  ARG  55          HH22      ARG  55  -0.697   9.965   5.322
  408    H    TYR  56           HN       TYR  56  -7.301   3.546   6.912
  409    HA   TYR  56           HA       TYR  56  -8.937   5.812   6.007
  410    HB2  TYR  56           HB2      TYR  56  -8.062   3.355   4.480
  411    HB3  TYR  56           HB1      TYR  56  -8.998   4.694   3.822
  412    HD1  TYR  56           HD2      TYR  56  -7.951   6.966   3.683
  413    HD2  TYR  56           HD1      TYR  56  -5.701   3.494   4.656
  414    HE1  TYR  56           HE2      TYR  56  -5.882   8.149   3.097
  415    HE2  TYR  56           HE1      TYR  56  -3.623   4.670   4.070
  416    HH   TYR  56           HH       TYR  56  -3.484   8.025   3.591
  417    H    GLY  57           HN       GLY  57  -9.246   3.058   7.779
  418    HA2  GLY  57           HA2      GLY  57 -11.170   2.175   8.702
  419    HA3  GLY  57           HA1      GLY  57 -12.104   3.249   7.674
  420    H    VAL  58           HN       VAL  58  -9.818   0.591   6.980
  421    HA   VAL  58           HA       VAL  58 -12.042  -0.818   5.680
  422    HB   VAL  58           HB       VAL  58 -10.308  -1.674   3.981
  423   HG11  VAL  58          HG11      VAL  58 -11.263   1.170   3.803
  424   HG12  VAL  58          HG12      VAL  58 -12.185  -0.270   3.373
  425   HG13  VAL  58          HG13      VAL  58 -10.741   0.159   2.457
  426   HG21  VAL  58          HG21      VAL  58  -8.899   0.763   5.029
  427   HG22  VAL  58          HG22      VAL  58  -8.633   0.143   3.400
  428   HG23  VAL  58          HG23      VAL  58  -8.265  -0.868   4.797
  429    H    SER  59           HN       SER  59 -11.027  -3.065   4.919
  430    HA   SER  59           HA       SER  59  -9.275  -4.215   6.937
  431    HB2  SER  59           HB2      SER  59 -11.652  -4.509   7.747
  432    HB3  SER  59           HB1      SER  59 -11.978  -5.442   6.286
  433    HG   SER  59           HG       SER  59 -11.437  -6.930   7.796
  434    H    ILE  60           HN       ILE  60  -7.777  -5.311   5.819
  435    HA   ILE  60           HA       ILE  60  -8.365  -5.861   3.002
  436    HB   ILE  60           HB       ILE  60  -5.743  -5.547   4.464
  437   HG12  ILE  60          HG12      ILE  60  -6.911  -3.860   2.246
  438   HG13  ILE  60          HG11      ILE  60  -7.190  -3.492   3.945
  439   HG21  ILE  60          HG21      ILE  60  -6.237  -6.099   1.539
  440   HG22  ILE  60          HG22      ILE  60  -5.509  -7.210   2.700
  441   HG23  ILE  60          HG23      ILE  60  -4.676  -5.718   2.266
  442   HD11  ILE  60          HD11      ILE  60  -4.761  -3.254   4.255
  443   HD12  ILE  60          HD12      ILE  60  -5.390  -2.141   3.041
  444   HD13  ILE  60          HD13      ILE  60  -4.519  -3.591   2.542
  445    HA   PRO  61           HA       PRO  61  -8.540 -10.166   4.284
  446    HB2  PRO  61           HB2      PRO  61  -9.466 -10.681   1.577
  447    HB3  PRO  61           HB1      PRO  61 -10.350 -10.812   3.098
  448    HG2  PRO  61           HG2      PRO  61 -10.891  -8.912   1.239
  449    HG3  PRO  61           HG1      PRO  61 -11.140  -8.660   2.979
  450    HD2  PRO  61           HD2      PRO  61  -8.868  -7.758   1.234
  451    HD3  PRO  61           HD1      PRO  61  -9.732  -6.869   2.509
  452    H    ASP  62           HN       ASP  62  -7.433 -12.027   3.857
  453    HA   ASP  62           HA       ASP  62  -4.828 -11.790   2.906
  454    HB2  ASP  62           HB2      ASP  62  -6.316 -14.405   3.122
  455    HB3  ASP  62           HB1      ASP  62  -4.602 -14.104   3.389
  456    H    ASP  63           HN       ASP  63  -7.627 -13.407   1.416
  457    HA   ASP  63           HA       ASP  63  -6.076 -14.458  -0.742
  458    HB2  ASP  63           HB2      ASP  63  -9.067 -14.267  -0.337
  459    HB3  ASP  63           HB1      ASP  63  -8.323 -15.077  -1.710
  460    H    VAL  64           HN       VAL  64  -7.983 -11.604  -0.259
  461    HA   VAL  64           HA       VAL  64  -8.027 -10.914  -3.049
  462    HB   VAL  64           HB       VAL  64  -8.589  -9.152  -0.655
  463   HG11  VAL  64          HG11      VAL  64  -9.358  -8.843  -3.556
  464   HG12  VAL  64          HG12      VAL  64  -8.147  -7.890  -2.698
  465   HG13  VAL  64          HG13      VAL  64  -9.843  -7.781  -2.233
  466   HG21  VAL  64          HG21      VAL  64 -10.037 -11.093  -0.655
  467   HG22  VAL  64          HG22      VAL  64 -10.454 -10.807  -2.345
  468   HG23  VAL  64          HG23      VAL  64 -10.950  -9.652  -1.105
  469    H    ALA  65           HN       ALA  65  -6.099 -10.088  -0.221
  470    HA   ALA  65           HA       ALA  65  -4.691  -7.917  -1.371
  471    HB1  ALA  65           HB1      ALA  65  -3.842  -9.698   0.899
  472    HB2  ALA  65           HB2      ALA  65  -4.876  -8.278   1.052
  473    HB3  ALA  65           HB3      ALA  65  -3.201  -8.099   0.525
  474    H    GLY  66           HN       GLY  66  -3.921 -11.337  -1.017
  475    HA2  GLY  66           HA2      GLY  66  -1.284 -11.057  -2.121
  476    HA3  GLY  66           HA1      GLY  66  -2.095 -12.565  -1.728
  477    H    ARG  67           HN       ARG  67  -3.323 -10.086  -3.910
  478    HA   ARG  67           HA       ARG  67  -2.673 -11.815  -6.191
  479    HB2  ARG  67           HB2      ARG  67  -5.372 -10.622  -5.552
  480    HB3  ARG  67           HB1      ARG  67  -4.941 -11.189  -7.163
  481    HG2  ARG  67           HG2      ARG  67  -4.478 -13.424  -6.184
  482    HG3  ARG  67           HG1      ARG  67  -5.077 -12.824  -4.638
  483    HD2  ARG  67           HD2      ARG  67  -6.690 -12.805  -7.176
  484    HD3  ARG  67           HD1      ARG  67  -6.738 -14.115  -6.002
  485    HE   ARG  67           HE       ARG  67  -7.416 -12.237  -4.392
  486   HH11  ARG  67          HH11      ARG  67  -8.199 -12.331  -7.801
  487   HH12  ARG  67          HH12      ARG  67  -9.744 -11.558  -7.603
  488   HH21  ARG  67          HH21      ARG  67  -9.481 -11.237  -4.125
  489   HH22  ARG  67          HH22      ARG  67 -10.459 -10.912  -5.518
  490    H    VAL  68           HN       VAL  68  -2.139  -8.972  -4.816
  491    HA   VAL  68           HA       VAL  68  -2.221  -7.383  -7.266
  492    HB   VAL  68           HB       VAL  68  -1.386  -5.514  -5.910
  493   HG11  VAL  68          HG11      VAL  68  -3.724  -6.929  -4.640
  494   HG12  VAL  68          HG12      VAL  68  -3.791  -5.862  -6.043
  495   HG13  VAL  68          HG13      VAL  68  -3.338  -5.217  -4.464
  496   HG21  VAL  68          HG21      VAL  68  -1.472  -7.436  -3.585
  497   HG22  VAL  68          HG22      VAL  68  -1.090  -5.717  -3.506
  498   HG23  VAL  68          HG23      VAL  68  -0.005  -6.824  -4.347
  499    H    ASP  69           HN       ASP  69  -0.047  -5.941  -7.388
  500    HA   ASP  69           HA       ASP  69   2.298  -7.611  -6.948
  501    HB2  ASP  69           HB2      ASP  69   1.325  -8.116  -9.251
  502    HB3  ASP  69           HB1      ASP  69   1.757  -6.468  -9.693
  503    H    THR  70           HN       THR  70   1.235  -4.625  -8.563
  504    HA   THR  70           HA       THR  70   3.443  -3.204  -7.246
  505    HB   THR  70           HB       THR  70   2.979  -1.412  -8.963
  506    HG1  THR  70           HG1      THR  70   1.842  -2.611 -10.880
  507   HG21  THR  70          HG21      THR  70   4.086  -2.618 -10.804
  508   HG22  THR  70          HG22      THR  70   3.747  -4.147  -9.993
  509   HG23  THR  70          HG23      THR  70   4.829  -2.972  -9.244
  510    HA   PRO  71           HA       PRO  71   0.860  -0.676  -4.642
  511    HB2  PRO  71           HB2      PRO  71   2.066   1.629  -6.118
  512    HB3  PRO  71           HB1      PRO  71   1.889   1.385  -4.378
  513    HG2  PRO  71           HG2      PRO  71   4.242   1.023  -5.518
  514    HG3  PRO  71           HG1      PRO  71   3.678  -0.123  -4.288
  515    HD2  PRO  71           HD2      PRO  71   3.773  -0.421  -7.260
  516    HD3  PRO  71           HD1      PRO  71   4.079  -1.632  -5.998
  517    H    ARG  72           HN       ARG  72   1.055   0.165  -8.067
  518    HA   ARG  72           HA       ARG  72  -1.193   1.741  -8.399
  519    HB2  ARG  72           HB2      ARG  72   0.409   1.250 -10.183
  520    HB3  ARG  72           HB1      ARG  72  -0.135  -0.416 -10.232
  521    HG2  ARG  72           HG2      ARG  72  -2.358   0.353 -10.950
  522    HG3  ARG  72           HG1      ARG  72  -1.762   2.015 -10.946
  523    HD2  ARG  72           HD2      ARG  72  -0.652  -0.236 -12.615
  524    HD3  ARG  72           HD1      ARG  72  -1.737   1.031 -13.196
  525    HE   ARG  72           HE       ARG  72   0.178   2.561 -12.330
  526   HH11  ARG  72          HH11      ARG  72   0.545  -0.481 -14.011
  527   HH12  ARG  72          HH12      ARG  72   2.112  -0.088 -14.630
  528   HH21  ARG  72          HH21      ARG  72   2.231   3.077 -13.151
  529   HH22  ARG  72          HH22      ARG  72   3.096   1.913 -14.121
  530    H    GLU  73           HN       GLU  73  -0.972  -1.782  -8.645
  531    HA   GLU  73           HA       GLU  73  -3.721  -2.271  -9.017
  532    HB2  GLU  73           HB2      GLU  73  -1.742  -4.153  -7.733
  533    HB3  GLU  73           HB1      GLU  73  -3.189  -4.578  -8.635
  534    HG2  GLU  73           HG2      GLU  73  -0.735  -3.271  -9.794
  535    HG3  GLU  73           HG1      GLU  73  -1.117  -4.989  -9.880
  536    H    LEU  74           HN       LEU  74  -1.668  -2.248  -6.148
  537    HA   LEU  74           HA       LEU  74  -3.531  -3.194  -4.268
  538    HB2  LEU  74           HB2      LEU  74  -1.004  -2.917  -4.063
  539    HB3  LEU  74           HB1      LEU  74  -1.310  -1.232  -3.719
  540    HG   LEU  74           HG       LEU  74  -0.893  -2.747  -1.731
  541   HD11  LEU  74          HD11      LEU  74  -2.606  -1.686  -0.340
  542   HD12  LEU  74          HD12      LEU  74  -3.463  -1.178  -1.796
  543   HD13  LEU  74          HD13      LEU  74  -1.856  -0.541  -1.450
  544   HD21  LEU  74          HD21      LEU  74  -3.688  -3.672  -2.376
  545   HD22  LEU  74          HD22      LEU  74  -2.776  -4.064  -0.917
  546   HD23  LEU  74          HD23      LEU  74  -2.222  -4.644  -2.489
  547    H    LEU  75           HN       LEU  75  -2.668   0.121  -5.204
  548    HA   LEU  75           HA       LEU  75  -4.337   1.461  -3.430
  549    HB2  LEU  75           HB2      LEU  75  -2.563   2.510  -4.800
  550    HB3  LEU  75           HB1      LEU  75  -3.571   2.308  -6.220
  551    HG   LEU  75           HG       LEU  75  -5.245   3.830  -5.251
  552   HD11  LEU  75          HD11      LEU  75  -4.686   5.133  -3.250
  553   HD12  LEU  75          HD12      LEU  75  -3.245   4.142  -3.013
  554   HD13  LEU  75          HD13      LEU  75  -4.848   3.414  -2.893
  555   HD21  LEU  75          HD21      LEU  75  -3.918   5.896  -5.426
  556   HD22  LEU  75          HD22      LEU  75  -3.549   4.748  -6.714
  557   HD23  LEU  75          HD23      LEU  75  -2.441   4.938  -5.353
  558    H    ASP  76           HN       ASP  76  -4.973   0.470  -6.776
  559    HA   ASP  76           HA       ASP  76  -7.573   1.554  -6.897
  560    HB2  ASP  76           HB2      ASP  76  -6.125   0.924  -8.859
  561    HB3  ASP  76           HB1      ASP  76  -6.518  -0.760  -8.525
  562    H    LEU  77           HN       LEU  77  -6.361  -1.573  -5.868
  563    HA   LEU  77           HA       LEU  77  -8.778  -3.005  -5.859
  564    HB2  LEU  77           HB2      LEU  77  -6.565  -4.044  -5.609
  565    HB3  LEU  77           HB1      LEU  77  -6.375  -3.284  -4.044
  566    HG   LEU  77           HG       LEU  77  -8.342  -4.602  -3.234
  567   HD11  LEU  77          HD11      LEU  77  -8.034  -6.017  -5.877
  568   HD12  LEU  77          HD12      LEU  77  -9.406  -5.027  -5.379
  569   HD13  LEU  77          HD13      LEU  77  -9.055  -6.536  -4.537
  570   HD21  LEU  77          HD21      LEU  77  -6.032  -6.212  -4.312
  571   HD22  LEU  77          HD22      LEU  77  -7.107  -6.680  -2.993
  572   HD23  LEU  77          HD23      LEU  77  -6.034  -5.294  -2.805
  573    H    ILE  78           HN       ILE  78  -7.237  -0.992  -3.405
  574    HA   ILE  78           HA       ILE  78  -9.348  -1.421  -1.497
  575    HB   ILE  78           HB       ILE  78  -7.079   0.583  -1.456
  576   HG12  ILE  78          HG12      ILE  78  -7.374  -2.129  -0.143
  577   HG13  ILE  78          HG11      ILE  78  -6.325  -1.756  -1.506
  578   HG21  ILE  78          HG21      ILE  78  -8.959  -0.307   0.737
  579   HG22  ILE  78          HG22      ILE  78  -8.878   1.295   0.003
  580   HG23  ILE  78          HG23      ILE  78  -7.530   0.700   0.970
  581   HD11  ILE  78          HD11      ILE  78  -6.073  -0.748   1.321
  582   HD12  ILE  78          HD12      ILE  78  -5.087  -0.190  -0.033
  583   HD13  ILE  78          HD13      ILE  78  -5.009  -1.877   0.477
  584    H    ASN  79           HN       ASN  79  -8.427   1.082  -3.813
  585    HA   ASN  79           HA       ASN  79 -10.286   3.052  -3.128
  586    HB2  ASN  79           HB2      ASN  79  -9.128   2.260  -5.799
  587    HB3  ASN  79           HB1      ASN  79 -10.241   3.608  -5.627
  588   HD21  ASN  79          HD21      ASN  79  -9.106   4.307  -2.981
  589   HD22  ASN  79          HD22      ASN  79  -7.612   5.104  -3.335
  590    H    GLY  80           HN       GLY  80 -10.626   0.207  -5.205
  591    HA2  GLY  80           HA2      GLY  80 -13.145   0.669  -6.262
  592    HA3  GLY  80           HA1      GLY  80 -12.465  -0.922  -5.965
  593    H    ALA  81           HN       ALA  81 -12.316  -0.762  -3.136
  594    HA   ALA  81           HA       ALA  81 -15.024  -1.450  -2.496
  595    HB1  ALA  81           HB1      ALA  81 -14.156  -1.995  -0.291
  596    HB2  ALA  81           HB2      ALA  81 -12.628  -1.199  -0.674
  597    HB3  ALA  81           HB3      ALA  81 -13.112  -2.653  -1.548
  598    H    LEU  82           HN       LEU  82 -12.841   1.190  -1.642
  599    HA   LEU  82           HA       LEU  82 -14.617   2.458   0.171
  600    HB2  LEU  82           HB2      LEU  82 -12.146   3.301  -1.306
  601    HB3  LEU  82           HB1      LEU  82 -13.062   4.468  -0.376
  602    HG   LEU  82           HG       LEU  82 -11.834   1.941   0.731
  603   HD11  LEU  82          HD11      LEU  82 -10.248   3.439   1.836
  604   HD12  LEU  82          HD12      LEU  82 -10.950   4.815   0.986
  605   HD13  LEU  82          HD13      LEU  82 -10.124   3.545   0.081
  606   HD21  LEU  82          HD21      LEU  82 -13.205   4.252   2.103
  607   HD22  LEU  82          HD22      LEU  82 -12.384   2.919   2.914
  608   HD23  LEU  82          HD23      LEU  82 -13.827   2.610   1.949
  609    H    ALA  83           HN       ALA  83 -14.239   2.540  -3.284
  610    HA   ALA  83           HA       ALA  83 -15.650   4.943  -3.797
  611    HB1  ALA  83           HB1      ALA  83 -15.758   4.166  -6.096
  612    HB2  ALA  83           HB2      ALA  83 -15.270   2.548  -5.586
  613    HB3  ALA  83           HB3      ALA  83 -14.154   3.901  -5.418
  614    H    GLU  84           HN       GLU  84 -16.726   1.861  -2.804
  615    HA   GLU  84           HA       GLU  84 -19.308   1.984  -4.063
  616    HB2  GLU  84           HB2      GLU  84 -18.344   0.199  -1.819
  617    HB3  GLU  84           HB1      GLU  84 -19.825  -0.013  -2.743
  618    HG2  GLU  84           HG2      GLU  84 -18.467  -0.309  -4.780
  619    HG3  GLU  84           HG1      GLU  84 -17.011  -0.210  -3.789
  620    H    ALA  85           HN       ALA  85 -17.942   3.458  -1.362
  621    HA   ALA  85           HA       ALA  85 -20.068   3.376   0.489
  622    HB1  ALA  85           HB1      ALA  85 -18.924   5.238   1.591
  623    HB2  ALA  85           HB2      ALA  85 -17.903   5.448   0.168
  624    HB3  ALA  85           HB3      ALA  85 -17.786   3.972   1.124
  625    H    ALA  86           HN       ALA  86 -21.884   4.495   0.651
  626    HA   ALA  86           HA       ALA  86 -22.200   7.076  -0.634
  627    HB1  ALA  86           HB1      ALA  86 -24.068   4.774  -1.203
  628    HB2  ALA  86           HB2      ALA  86 -22.954   5.511  -2.355
  629    HB3  ALA  86           HB3      ALA  86 -24.304   6.446  -1.713
  630    H28  SXO  87          H28B      SXO  87   5.235 -12.161   5.932
  631   H28A  SXO  87          H28A      SXO  87   6.011 -13.350   6.981
  632    H30  SXO  87          H30A      SXO  87   2.285 -13.516   7.415
  633   H30A  SXO  87          H30C      SXO  87   3.779 -13.000   8.199
  634   H30B  SXO  87          H30B      SXO  87   3.130 -12.078   6.843
  635    H31  SXO  87          H31A      SXO  87   3.957 -14.506   4.229
  636   H31A  SXO  87          H31B      SXO  87   3.087 -13.019   4.606
  637   H31B  SXO  87          H31C      SXO  87   2.411 -14.579   5.082
  638    H32  SXO  87          H32A      SXO  87   4.613 -15.264   7.905
  639   HO33  SXO  87          H33A      SXO  87   4.859 -16.440   5.345
  640   HN36  SXO  87          H36A      SXO  87   2.109 -14.925   8.135
  641    H37  SXO  87          H37A      SXO  87   0.798 -17.451   7.415
  642   H37A  SXO  87          H37B      SXO  87   0.345 -16.360   8.721
  643    H38  SXO  87          H38B      SXO  87  -0.352 -14.707   6.948
  644   H38A  SXO  87          H38A      SXO  87  -1.341 -16.161   7.100
  645   HN41  SXO  87          H41A      SXO  87  -0.851 -14.271   4.893
  646    H42  SXO  87          H42A      SXO  87   0.656 -15.277   2.805
  647   H42A  SXO  87          H42B      SXO  87  -0.918 -16.072   2.724
  648    H43  SXO  87          H43B      SXO  87  -0.783 -14.044   1.311
  649   H43A  SXO  87          H43A      SXO  87  -2.023 -13.916   2.570
  650    H2   SXO  87           H2A      SXO  87  -0.458  -9.962   3.424
  651    H2A  SXO  87           H2B      SXO  87  -2.141  -9.801   2.923
  652    H3   SXO  87           H3B      SXO  87   0.288  -9.126   1.268
  653    H3A  SXO  87           H3A      SXO  87  -1.387  -9.007   0.726
  654    H4   SXO  87           H4A      SXO  87  -0.122  -7.486   2.999
  655    H4A  SXO  87           H4B      SXO  87  -1.832  -7.420   2.560
  656    H5   SXO  87           H5B      SXO  87   0.461  -6.639   0.759
  657    H5A  SXO  87           H5A      SXO  87  -1.257  -6.538   0.363
  658    H6   SXO  87           H6A      SXO  87   0.109  -5.041   2.603
  659    H6A  SXO  87           H6B      SXO  87  -1.594  -4.922   2.152
  660    H7   SXO  87           H7A      SXO  87  -0.999  -4.003  -0.004
  661    H7A  SXO  87           H7B      SXO  87   0.722  -4.197   0.361
  662    H8   SXO  87           H8C      SXO  87  -1.236  -2.464   1.866
  663    H8A  SXO  87           H8A      SXO  87  -0.016  -1.893   0.729
  664    H8B  SXO  87           H8B      SXO  87   0.477  -2.650   2.244
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1 -19.202  13.740   2.933
    2    H2   MET   1           HT2      MET   1 -17.892  13.624   4.007
    3    H3   MET   1           HT3      MET   1 -18.954  12.318   3.824
    4    HA   MET   1           HA       MET   1 -18.270  12.029   1.538
    5    HB2  MET   1           HB2      MET   1 -16.361  13.270   0.661
    6    HB3  MET   1           HB1      MET   1 -17.652  14.374   1.091
    7    HG2  MET   1           HG2      MET   1 -16.496  14.957   3.151
    8    HG3  MET   1           HG1      MET   1 -15.209  13.820   2.755
    9    HE1  MET   1           HE1      MET   1 -13.537  17.354   2.295
   10    HE2  MET   1           HE2      MET   1 -13.413  15.789   3.098
   11    HE3  MET   1           HE3      MET   1 -14.737  16.884   3.497
   12    H    ALA   2           HN       ALA   2 -16.720  10.454   1.150
   13    HA   ALA   2           HA       ALA   2 -15.360   9.488   3.535
   14    HB1  ALA   2           HB1      ALA   2 -15.032   7.431   2.271
   15    HB2  ALA   2           HB2      ALA   2 -15.686   8.201   0.826
   16    HB3  ALA   2           HB3      ALA   2 -16.724   7.930   2.225
   17    H    THR   3           HN       THR   3 -13.170   9.199   3.705
   18    HA   THR   3           HA       THR   3 -11.570  10.870   1.966
   19    HB   THR   3           HB       THR   3 -11.136  11.153   4.299
   20    HG1  THR   3           HG1      THR   3  -9.060   9.619   3.096
   21   HG21  THR   3          HG21      THR   3 -10.621   8.184   4.444
   22   HG22  THR   3          HG22      THR   3 -11.996   9.039   5.140
   23   HG23  THR   3          HG23      THR   3 -10.370   9.332   5.761
   24    H    LEU   4           HN       LEU   4 -10.897  10.006   0.133
   25    HA   LEU   4           HA       LEU   4 -10.544   7.188  -0.242
   26    HB2  LEU   4           HB2      LEU   4  -9.905   9.540  -2.023
   27    HB3  LEU   4           HB1      LEU   4  -9.758   7.863  -2.510
   28    HG   LEU   4           HG       LEU   4 -12.337   9.201  -1.683
   29   HD11  LEU   4          HD11      LEU   4 -12.924   9.080  -4.048
   30   HD12  LEU   4          HD12      LEU   4 -11.321   8.443  -4.420
   31   HD13  LEU   4          HD13      LEU   4 -11.498  10.083  -3.795
   32   HD21  LEU   4          HD21      LEU   4 -12.316   6.816  -1.208
   33   HD22  LEU   4          HD22      LEU   4 -11.779   6.475  -2.852
   34   HD23  LEU   4          HD23      LEU   4 -13.380   7.161  -2.571
   35    H    LEU   5           HN       LEU   5  -8.606   6.136  -0.834
   36    HA   LEU   5           HA       LEU   5  -6.238   7.146   0.481
   37    HB2  LEU   5           HB2      LEU   5  -6.842   4.785   0.683
   38    HB3  LEU   5           HB1      LEU   5  -6.746   4.596  -1.056
   39    HG   LEU   5           HG       LEU   5  -4.333   5.046  -0.976
   40   HD11  LEU   5          HD11      LEU   5  -4.288   6.498   0.979
   41   HD12  LEU   5          HD12      LEU   5  -3.175   5.143   1.173
   42   HD13  LEU   5          HD13      LEU   5  -4.729   5.135   2.008
   43   HD21  LEU   5          HD21      LEU   5  -5.118   2.744  -0.834
   44   HD22  LEU   5          HD22      LEU   5  -5.236   2.885   0.920
   45   HD23  LEU   5          HD23      LEU   5  -3.660   2.975   0.133
   46    H    THR   6           HN       THR   6  -4.585   8.178  -0.548
   47    HA   THR   6           HA       THR   6  -4.783   8.386  -3.480
   48    HB   THR   6           HB       THR   6  -3.734  10.545  -3.333
   49    HG1  THR   6           HG1      THR   6  -3.713  10.667  -0.544
   50   HG21  THR   6          HG21      THR   6  -6.135  10.525  -2.976
   51   HG22  THR   6          HG22      THR   6  -5.390  11.781  -1.986
   52   HG23  THR   6          HG23      THR   6  -5.900  10.262  -1.248
   53    H    THR   7           HN       THR   7  -2.604   9.078  -4.456
   54    HA   THR   7           HA       THR   7  -0.659   7.102  -4.229
   55    HB   THR   7           HB       THR   7  -0.194   9.947  -5.160
   56    HG1  THR   7           HG1      THR   7  -0.771   8.766  -7.269
   57   HG21  THR   7          HG21      THR   7   1.056   7.319  -5.964
   58   HG22  THR   7          HG22      THR   7   1.823   8.594  -5.019
   59   HG23  THR   7          HG23      THR   7   1.402   8.882  -6.706
   60    H    ASP   8           HN       ASP   8  -0.655  10.433  -2.936
   61    HA   ASP   8           HA       ASP   8   1.922  10.171  -1.755
   62    HB2  ASP   8           HB2      ASP   8   1.018  12.351  -2.439
   63    HB3  ASP   8           HB1      ASP   8  -0.231  12.224  -1.204
   64    H    ASP   9           HN       ASP   9  -1.382   9.883  -0.490
   65    HA   ASP   9           HA       ASP   9  -0.660   9.617   2.222
   66    HB2  ASP   9           HB2      ASP   9  -3.046   8.637   0.664
   67    HB3  ASP   9           HB1      ASP   9  -2.850   8.280   2.377
   68    H    LEU  10           HN       LEU  10  -0.929   7.258  -0.385
   69    HA   LEU  10           HA       LEU  10  -0.283   4.966   1.114
   70    HB2  LEU  10           HB2      LEU  10  -1.145   4.836  -1.162
   71    HB3  LEU  10           HB1      LEU  10   0.287   5.634  -1.776
   72    HG   LEU  10           HG       LEU  10   1.644   3.682  -1.045
   73   HD11  LEU  10          HD11      LEU  10   0.505   1.602  -0.465
   74   HD12  LEU  10          HD12      LEU  10  -1.041   2.452  -0.456
   75   HD13  LEU  10          HD13      LEU  10   0.200   2.865   0.729
   76   HD21  LEU  10          HD21      LEU  10   0.884   2.181  -2.828
   77   HD22  LEU  10          HD22      LEU  10   0.879   3.867  -3.348
   78   HD23  LEU  10          HD23      LEU  10  -0.636   3.071  -2.922
   79    H    ARG  11           HN       ARG  11   1.721   7.260  -0.674
   80    HA   ARG  11           HA       ARG  11   4.250   6.234  -0.217
   81    HB2  ARG  11           HB2      ARG  11   3.890   8.056  -1.733
   82    HB3  ARG  11           HB1      ARG  11   3.271   9.080  -0.448
   83    HG2  ARG  11           HG2      ARG  11   5.530   9.060   0.578
   84    HG3  ARG  11           HG1      ARG  11   6.108   8.156  -0.826
   85    HD2  ARG  11           HD2      ARG  11   4.789  10.867  -0.934
   86    HD3  ARG  11           HD1      ARG  11   6.529  10.589  -0.997
   87    HE   ARG  11           HE       ARG  11   6.014   9.250  -3.074
   88   HH11  ARG  11          HH11      ARG  11   3.955  11.905  -2.022
   89   HH12  ARG  11          HH12      ARG  11   3.451  12.301  -3.637
   90   HH21  ARG  11          HH21      ARG  11   5.312   9.767  -5.182
   91   HH22  ARG  11          HH22      ARG  11   4.213  11.084  -5.433
   92    H    ARG  12           HN       ARG  12   2.138   7.933   1.980
   93    HA   ARG  12           HA       ARG  12   4.212   8.507   3.897
   94    HB2  ARG  12           HB2      ARG  12   1.208   8.644   4.195
   95    HB3  ARG  12           HB1      ARG  12   2.380   9.293   5.331
   96    HG2  ARG  12           HG2      ARG  12   2.091  10.200   2.474
   97    HG3  ARG  12           HG1      ARG  12   1.353  11.004   3.861
   98    HD2  ARG  12           HD2      ARG  12   3.377  12.154   3.252
   99    HD3  ARG  12           HD1      ARG  12   3.612  11.354   4.804
  100    HE   ARG  12           HE       ARG  12   4.503   9.647   2.773
  101   HH11  ARG  12          HH11      ARG  12   5.364  12.722   4.212
  102   HH12  ARG  12          HH12      ARG  12   7.072  12.515   3.932
  103   HH21  ARG  12          HH21      ARG  12   6.755   9.366   2.432
  104   HH22  ARG  12          HH22      ARG  12   7.862  10.600   2.952
  105    H    ALA  13           HN       ALA  13   1.843   5.989   3.379
  106    HA   ALA  13           HA       ALA  13   1.743   4.937   5.977
  107    HB1  ALA  13           HB1      ALA  13   0.129   4.415   4.200
  108    HB2  ALA  13           HB2      ALA  13   0.777   2.966   4.971
  109    HB3  ALA  13           HB3      ALA  13   1.365   3.461   3.382
  110    H    LEU  14           HN       LEU  14   3.929   4.257   3.291
  111    HA   LEU  14           HA       LEU  14   5.201   2.011   4.418
  112    HB2  LEU  14           HB2      LEU  14   6.119   4.052   2.403
  113    HB3  LEU  14           HB1      LEU  14   7.147   2.731   2.916
  114    HG   LEU  14           HG       LEU  14   6.176   2.094   0.846
  115   HD11  LEU  14          HD11      LEU  14   4.922   0.097   1.408
  116   HD12  LEU  14          HD12      LEU  14   4.657   0.711   3.040
  117   HD13  LEU  14          HD13      LEU  14   6.288   0.321   2.499
  118   HD21  LEU  14          HD21      LEU  14   3.798   2.044   0.410
  119   HD22  LEU  14          HD22      LEU  14   4.324   3.678   0.812
  120   HD23  LEU  14          HD23      LEU  14   3.471   2.706   2.012
  121    H    VAL  15           HN       VAL  15   5.680   5.454   4.850
  122    HA   VAL  15           HA       VAL  15   8.159   5.153   6.304
  123    HB   VAL  15           HB       VAL  15   6.383   7.594   6.133
  124   HG11  VAL  15          HG11      VAL  15   8.069   7.631   7.926
  125   HG12  VAL  15          HG12      VAL  15   8.379   8.843   6.684
  126   HG13  VAL  15          HG13      VAL  15   9.329   7.359   6.724
  127   HG21  VAL  15          HG21      VAL  15   6.950   6.880   3.891
  128   HG22  VAL  15          HG22      VAL  15   8.652   6.753   4.336
  129   HG23  VAL  15          HG23      VAL  15   7.863   8.329   4.308
  130    H    GLU  16           HN       GLU  16   4.754   5.722   7.032
  131    HA   GLU  16           HA       GLU  16   4.948   6.150   9.792
  132    HB2  GLU  16           HB2      GLU  16   2.748   4.808   8.204
  133    HB3  GLU  16           HB1      GLU  16   2.601   5.309   9.882
  134    HG2  GLU  16           HG2      GLU  16   2.948   7.627   9.234
  135    HG3  GLU  16           HG1      GLU  16   3.112   7.137   7.546
  136    H    SER  17           HN       SER  17   4.929   3.214   7.907
  137    HA   SER  17           HA       SER  17   4.744   1.523  10.242
  138    HB2  SER  17           HB2      SER  17   5.277   0.717   7.386
  139    HB3  SER  17           HB1      SER  17   4.652  -0.296   8.691
  140    HG   SER  17           HG       SER  17   3.370   1.746   7.237
  141    H    ALA  18           HN       ALA  18   7.150   1.978   7.629
  142    HA   ALA  18           HA       ALA  18   9.142   0.749   9.420
  143    HB1  ALA  18           HB1      ALA  18   8.696  -0.593   7.437
  144    HB2  ALA  18           HB2      ALA  18  10.341   0.041   7.407
  145    HB3  ALA  18           HB3      ALA  18   9.096   0.780   6.403
  146    H    GLY  19           HN       GLY  19   9.343   2.766   6.493
  147    HA2  GLY  19           HA2      GLY  19  10.301   4.860   6.210
  148    HA3  GLY  19           HA1      GLY  19  10.560   4.942   7.943
  149    H    GLU  20           HN       GLU  20  12.461   4.134   8.826
  150    HA   GLU  20           HA       GLU  20  14.676   3.725   8.952
  151    HB2  GLU  20           HB2      GLU  20  14.047   2.211   6.426
  152    HB3  GLU  20           HB1      GLU  20  15.674   2.269   7.073
  153    HG2  GLU  20           HG2      GLU  20  14.635   1.438   9.257
  154    HG3  GLU  20           HG1      GLU  20  13.232   1.033   8.267
  155    H    THR  21           HN       THR  21  16.776   3.777   7.228
  156    HA   THR  21           HA       THR  21  16.927   6.549   6.551
  157    HB   THR  21           HB       THR  21  19.284   5.867   5.840
  158    HG1  THR  21           HG1      THR  21  19.130   3.694   5.459
  159   HG21  THR  21          HG21      THR  21  18.843   6.819   8.041
  160   HG22  THR  21          HG22      THR  21  20.046   5.534   8.164
  161   HG23  THR  21          HG23      THR  21  18.379   5.230   8.650
  162    H    ASP  22           HN       ASP  22  18.600   6.501   4.302
  163    HA   ASP  22           HA       ASP  22  16.640   6.206   2.234
  164    HB2  ASP  22           HB2      ASP  22  19.551   7.027   2.105
  165    HB3  ASP  22           HB1      ASP  22  18.450   7.039   0.729
  166    H    GLY  23           HN       GLY  23  16.490   3.830   2.741
  167    HA2  GLY  23           HA2      GLY  23  18.539   2.209   1.441
  168    HA3  GLY  23           HA1      GLY  23  17.091   1.611   2.245
  169    H    THR  24           HN       THR  24  15.631   3.779   0.658
  170    HA   THR  24           HA       THR  24  15.810   2.955  -2.076
  171    HB   THR  24           HB       THR  24  14.510   1.070  -1.073
  172    HG1  THR  24           HG1      THR  24  12.687   1.323  -2.581
  173   HG21  THR  24          HG21      THR  24  12.222   1.466  -0.285
  174   HG22  THR  24          HG22      THR  24  12.447   3.204  -0.480
  175   HG23  THR  24          HG23      THR  24  13.389   2.323   0.722
  176    H    ASP  25           HN       ASP  25  13.530   3.970  -3.128
  177    HA   ASP  25           HA       ASP  25  13.123   6.544  -1.787
  178    HB2  ASP  25           HB2      ASP  25  13.965   7.791  -3.453
  179    HB3  ASP  25           HB1      ASP  25  14.746   6.314  -3.992
  180    H    LEU  26           HN       LEU  26  11.132   7.390  -1.907
  181    HA   LEU  26           HA       LEU  26   9.083   5.772  -3.280
  182    HB2  LEU  26           HB2      LEU  26   8.821   7.462  -0.785
  183    HB3  LEU  26           HB1      LEU  26   7.518   6.570  -1.544
  184    HG   LEU  26           HG       LEU  26   9.974   5.332  -0.295
  185   HD11  LEU  26          HD11      LEU  26   8.513   6.332   1.372
  186   HD12  LEU  26          HD12      LEU  26   8.425   4.573   1.445
  187   HD13  LEU  26          HD13      LEU  26   7.125   5.490   0.684
  188   HD21  LEU  26          HD21      LEU  26   8.775   3.221  -0.594
  189   HD22  LEU  26          HD22      LEU  26   9.092   4.008  -2.140
  190   HD23  LEU  26          HD23      LEU  26   7.479   4.074  -1.432
  191    H    SER  27           HN       SER  27  10.709   8.150  -4.186
  192    HA   SER  27           HA       SER  27   8.568  10.134  -4.525
  193    HB2  SER  27           HB2      SER  27  10.430  11.625  -5.341
  194    HB3  SER  27           HB1      SER  27  10.581  11.120  -3.663
  195    HG   SER  27           HG       SER  27  11.822   9.296  -5.132
  196    H    GLY  28           HN       GLY  28  10.542   7.841  -6.208
  197    HA2  GLY  28           HA2      GLY  28   9.899   8.830  -8.836
  198    HA3  GLY  28           HA1      GLY  28  10.715   7.321  -8.453
  199    H    ASP  29           HN       ASP  29   9.356   6.504 -10.207
  200    HA   ASP  29           HA       ASP  29   6.515   6.344  -9.756
  201    HB2  ASP  29           HB2      ASP  29   6.610   4.861 -11.834
  202    HB3  ASP  29           HB1      ASP  29   7.104   6.539 -12.030
  203    H    PHE  30           HN       PHE  30   6.626   5.287  -7.690
  204    HA   PHE  30           HA       PHE  30   7.582   2.579  -7.549
  205    HB2  PHE  30           HB2      PHE  30   6.606   2.613  -5.252
  206    HB3  PHE  30           HB1      PHE  30   7.741   3.919  -5.557
  207    HD1  PHE  30           HD2      PHE  30   6.959   6.225  -5.743
  208    HD2  PHE  30           HD1      PHE  30   4.284   3.042  -4.863
  209    HE1  PHE  30           HE2      PHE  30   5.266   7.858  -5.011
  210    HE2  PHE  30           HE1      PHE  30   2.588   4.662  -4.136
  211    HZ   PHE  30           HZ       PHE  30   3.106   7.090  -4.170
  212    H    LEU  31           HN       LEU  31   4.487   4.143  -8.008
  213    HA   LEU  31           HA       LEU  31   2.725   2.041  -7.542
  214    HB2  LEU  31           HB2      LEU  31   2.594   4.227  -9.619
  215    HB3  LEU  31           HB1      LEU  31   1.264   3.149  -9.252
  216    HG   LEU  31           HG       LEU  31   2.519   4.962  -7.213
  217   HD11  LEU  31          HD11      LEU  31   1.601   6.338  -8.977
  218   HD12  LEU  31          HD12      LEU  31   0.568   6.419  -7.549
  219   HD13  LEU  31          HD13      LEU  31   0.092   5.429  -8.928
  220   HD21  LEU  31          HD21      LEU  31   1.356   3.235  -6.121
  221   HD22  LEU  31          HD22      LEU  31   0.031   3.288  -7.280
  222   HD23  LEU  31          HD23      LEU  31   0.252   4.608  -6.133
  223    H    ASP  32           HN       ASP  32   4.897   2.583 -10.193
  224    HA   ASP  32           HA       ASP  32   3.473   0.723 -11.935
  225    HB2  ASP  32           HB2      ASP  32   4.368   3.097 -12.555
  226    HB3  ASP  32           HB1      ASP  32   5.926   2.292 -12.680
  227    H    LEU  33           HN       LEU  33   5.273   0.089  -9.547
  228    HA   LEU  33           HA       LEU  33   6.774  -2.056 -10.858
  229    HB2  LEU  33           HB2      LEU  33   7.878  -0.186  -8.750
  230    HB3  LEU  33           HB1      LEU  33   8.647  -1.676  -9.247
  231    HG   LEU  33           HG       LEU  33   8.164   0.678 -11.079
  232   HD11  LEU  33          HD11      LEU  33  10.546   1.126 -10.837
  233   HD12  LEU  33          HD12      LEU  33  10.693  -0.199  -9.682
  234   HD13  LEU  33          HD13      LEU  33   9.734   1.222  -9.272
  235   HD21  LEU  33          HD21      LEU  33   8.301  -1.523 -12.184
  236   HD22  LEU  33          HD22      LEU  33   9.871  -1.789 -11.423
  237   HD23  LEU  33          HD23      LEU  33   9.664  -0.480 -12.588
  238    H    ARG  34           HN       ARG  34   7.284  -3.808  -9.267
  239    HA   ARG  34           HA       ARG  34   5.010  -4.264  -7.572
  240    HB2  ARG  34           HB2      ARG  34   7.581  -5.839  -7.727
  241    HB3  ARG  34           HB1      ARG  34   6.083  -6.369  -6.984
  242    HG2  ARG  34           HG2      ARG  34   5.005  -6.288  -9.210
  243    HG3  ARG  34           HG1      ARG  34   6.585  -5.908  -9.911
  244    HD2  ARG  34           HD2      ARG  34   7.453  -7.985  -8.797
  245    HD3  ARG  34           HD1      ARG  34   5.785  -8.383  -8.395
  246    HE   ARG  34           HE       ARG  34   5.835  -7.974 -11.124
  247   HH11  ARG  34          HH11      ARG  34   7.356 -10.110  -8.800
  248   HH12  ARG  34          HH12      ARG  34   7.560 -11.408  -9.941
  249   HH21  ARG  34          HH21      ARG  34   6.091  -9.691 -12.625
  250   HH22  ARG  34          HH22      ARG  34   6.852 -11.170 -12.113
  251    H    PHE  35           HN       PHE  35   5.121  -4.725  -5.275
  252    HA   PHE  35           HA       PHE  35   6.539  -2.931  -3.679
  253    HB2  PHE  35           HB2      PHE  35   5.461  -5.665  -2.951
  254    HB3  PHE  35           HB1      PHE  35   5.990  -4.455  -1.789
  255    HD1  PHE  35           HD2      PHE  35   4.784  -2.189  -1.826
  256    HD2  PHE  35           HD1      PHE  35   3.265  -5.698  -3.703
  257    HE1  PHE  35           HE2      PHE  35   2.529  -1.207  -1.829
  258    HE2  PHE  35           HE1      PHE  35   1.006  -4.719  -3.708
  259    HZ   PHE  35           HZ       PHE  35   0.632  -2.484  -2.743
  260    H    GLU  36           HN       GLU  36   7.351  -6.212  -4.686
  261    HA   GLU  36           HA       GLU  36   9.731  -6.470  -3.213
  262    HB2  GLU  36           HB2      GLU  36  10.262  -8.305  -4.766
  263    HB3  GLU  36           HB1      GLU  36   8.622  -8.403  -4.149
  264    HG2  GLU  36           HG2      GLU  36   7.827  -7.378  -6.266
  265    HG3  GLU  36           HG1      GLU  36   9.478  -7.474  -6.875
  266    H    ASP  37           HN       ASP  37   9.015  -4.643  -6.040
  267    HA   ASP  37           HA       ASP  37  11.730  -4.591  -7.035
  268    HB2  ASP  37           HB2      ASP  37   9.252  -3.058  -7.834
  269    HB3  ASP  37           HB1      ASP  37  10.824  -2.784  -8.570
  270    H    ILE  38           HN       ILE  38   9.641  -2.619  -5.048
  271    HA   ILE  38           HA       ILE  38  11.625  -0.492  -4.957
  272    HB   ILE  38           HB       ILE  38   9.970   0.648  -3.439
  273   HG12  ILE  38          HG12      ILE  38   8.205  -1.636  -4.352
  274   HG13  ILE  38          HG11      ILE  38   8.746  -1.347  -2.703
  275   HG21  ILE  38          HG21      ILE  38   9.054  -0.102  -6.208
  276   HG22  ILE  38          HG22      ILE  38  10.194   1.181  -5.808
  277   HG23  ILE  38          HG23      ILE  38   8.511   1.301  -5.290
  278   HD11  ILE  38          HD11      ILE  38   7.467   0.701  -2.607
  279   HD12  ILE  38          HD12      ILE  38   6.429  -0.645  -3.085
  280   HD13  ILE  38          HD13      ILE  38   6.996   0.505  -4.295
  281    H    GLY  39           HN       GLY  39  11.453  -3.354  -3.552
  282    HA2  GLY  39           HA2      GLY  39  12.878  -4.177  -1.937
  283    HA3  GLY  39           HA1      GLY  39  13.326  -2.531  -1.534
  284    H    TYR  40           HN       TYR  40  10.187  -4.243  -1.403
  285    HA   TYR  40           HA       TYR  40  10.223  -3.751   1.491
  286    HB2  TYR  40           HB2      TYR  40   8.005  -3.286  -0.466
  287    HB3  TYR  40           HB1      TYR  40   7.632  -3.676   1.211
  288    HD1  TYR  40           HD2      TYR  40   8.238  -2.126   3.012
  289    HD2  TYR  40           HD1      TYR  40   8.993  -1.181  -1.057
  290    HE1  TYR  40           HE2      TYR  40   8.565   0.231   3.627
  291    HE2  TYR  40           HE1      TYR  40   9.329   1.175  -0.458
  292    HH   TYR  40           HH       TYR  40   8.588   2.719   1.398
  293    H    ASP  41           HN       ASP  41  10.449  -5.549   2.503
  294    HA   ASP  41           HA       ASP  41   9.799  -8.116   1.472
  295    HB2  ASP  41           HB2      ASP  41  10.505  -7.246   4.285
  296    HB3  ASP  41           HB1      ASP  41  10.414  -8.917   3.737
  297    H    SER  42           HN       SER  42   8.390  -9.665   2.561
  298    HA   SER  42           HA       SER  42   5.749  -8.886   2.591
  299    HB2  SER  42           HB2      SER  42   5.891 -11.152   4.250
  300    HB3  SER  42           HB1      SER  42   5.578 -11.107   2.514
  301    H    LEU  43           HN       LEU  43   7.876  -9.410   5.394
  302    HA   LEU  43           HA       LEU  43   5.992  -9.006   7.403
  303    HB2  LEU  43           HB2      LEU  43   8.256  -9.857   7.795
  304    HB3  LEU  43           HB1      LEU  43   8.919  -8.279   7.419
  305    HG   LEU  43           HG       LEU  43   7.771  -7.335   9.391
  306   HD11  LEU  43          HD11      LEU  43   6.756  -8.828  11.029
  307   HD12  LEU  43          HD12      LEU  43   7.001 -10.198   9.944
  308   HD13  LEU  43          HD13      LEU  43   5.900  -8.899   9.490
  309   HD21  LEU  43          HD21      LEU  43  10.076  -8.113   9.561
  310   HD22  LEU  43          HD22      LEU  43   9.509  -9.732   9.966
  311   HD23  LEU  43          HD23      LEU  43   9.203  -8.391  11.068
  312    H    ALA  44           HN       ALA  44   8.185  -6.585   5.976
  313    HA   ALA  44           HA       ALA  44   7.158  -4.399   7.433
  314    HB1  ALA  44           HB1      ALA  44   9.349  -4.359   6.343
  315    HB2  ALA  44           HB2      ALA  44   8.351  -3.000   5.828
  316    HB3  ALA  44           HB3      ALA  44   8.564  -4.391   4.764
  317    H    LEU  45           HN       LEU  45   6.252  -5.886   4.399
  318    HA   LEU  45           HA       LEU  45   4.537  -3.854   3.460
  319    HB2  LEU  45           HB2      LEU  45   5.388  -5.601   2.001
  320    HB3  LEU  45           HB1      LEU  45   4.545  -6.825   2.933
  321    HG   LEU  45           HG       LEU  45   2.386  -5.871   2.222
  322   HD11  LEU  45          HD11      LEU  45   2.327  -4.231   0.405
  323   HD12  LEU  45          HD12      LEU  45   4.080  -4.048   0.515
  324   HD13  LEU  45          HD13      LEU  45   3.056  -3.566   1.868
  325   HD21  LEU  45          HD21      LEU  45   3.374  -7.704   0.970
  326   HD22  LEU  45          HD22      LEU  45   4.261  -6.560  -0.038
  327   HD23  LEU  45          HD23      LEU  45   2.499  -6.614  -0.101
  328    H    MET  46           HN       MET  46   3.906  -6.768   5.417
  329    HA   MET  46           HA       MET  46   1.090  -6.328   5.482
  330    HB2  MET  46           HB2      MET  46   0.973  -8.139   7.071
  331    HB3  MET  46           HB1      MET  46   2.094  -8.563   5.789
  332    HG2  MET  46           HG2      MET  46   3.220  -9.304   7.631
  333    HG3  MET  46           HG1      MET  46   3.894  -7.689   7.465
  334    HE1  MET  46           HE1      MET  46   0.305  -8.650   8.807
  335    HE2  MET  46           HE2      MET  46   0.633  -8.822  10.531
  336    HE3  MET  46           HE3      MET  46   1.340  -9.958   9.383
  337    H    GLU  47           HN       GLU  47   3.756  -5.395   7.584
  338    HA   GLU  47           HA       GLU  47   2.205  -4.350   9.687
  339    HB2  GLU  47           HB2      GLU  47   4.950  -3.600   8.671
  340    HB3  GLU  47           HB1      GLU  47   4.240  -2.911  10.128
  341    HG2  GLU  47           HG2      GLU  47   4.098  -5.157  11.103
  342    HG3  GLU  47           HG1      GLU  47   4.818  -5.827   9.641
  343    H    THR  48           HN       THR  48   3.311  -2.992   6.643
  344    HA   THR  48           HA       THR  48   2.419  -0.351   7.061
  345    HB   THR  48           HB       THR  48   2.720  -1.820   4.433
  346    HG1  THR  48           HG1      THR  48   4.677  -1.827   5.589
  347   HG21  THR  48          HG21      THR  48   2.731   1.133   5.070
  348   HG22  THR  48          HG22      THR  48   1.435   0.262   4.248
  349   HG23  THR  48          HG23      THR  48   3.015   0.419   3.483
  350    H    ALA  49           HN       ALA  49   0.837  -3.242   5.819
  351    HA   ALA  49           HA       ALA  49  -1.439  -2.095   4.700
  352    HB1  ALA  49           HB1      ALA  49  -0.809  -4.456   4.425
  353    HB2  ALA  49           HB2      ALA  49  -2.488  -4.267   4.931
  354    HB3  ALA  49           HB3      ALA  49  -1.265  -4.759   6.101
  355    H    ALA  50           HN       ALA  50  -0.742  -2.931   8.042
  356    HA   ALA  50           HA       ALA  50  -3.331  -2.700   9.093
  357    HB1  ALA  50           HB1      ALA  50  -1.439  -3.721  10.300
  358    HB2  ALA  50           HB2      ALA  50  -2.268  -2.495  11.261
  359    HB3  ALA  50           HB3      ALA  50  -0.723  -2.122  10.497
  360    H    ARG  51           HN       ARG  51  -0.915  -0.348   8.276
  361    HA   ARG  51           HA       ARG  51  -1.930   1.889   9.636
  362    HB2  ARG  51           HB2      ARG  51  -0.286   1.532   7.152
  363    HB3  ARG  51           HB1      ARG  51  -0.824   3.128   7.639
  364    HG2  ARG  51           HG2      ARG  51   0.782   1.277   9.375
  365    HG3  ARG  51           HG1      ARG  51   1.464   2.568   8.381
  366    HD2  ARG  51           HD2      ARG  51   0.140   4.217   9.596
  367    HD3  ARG  51           HD1      ARG  51  -0.577   2.936  10.571
  368    HE   ARG  51           HE       ARG  51   2.088   2.646  11.005
  369   HH11  ARG  51          HH11      ARG  51  -0.070   5.381  11.153
  370   HH12  ARG  51          HH12      ARG  51   0.724   6.113  12.515
  371   HH21  ARG  51          HH21      ARG  51   3.182   3.630  12.782
  372   HH22  ARG  51          HH22      ARG  51   2.586   5.127  13.417
  373    H    LEU  52           HN       LEU  52  -2.344   0.975   6.221
  374    HA   LEU  52           HA       LEU  52  -4.166   3.015   5.603
  375    HB2  LEU  52           HB2      LEU  52  -3.862   0.319   4.279
  376    HB3  LEU  52           HB1      LEU  52  -4.664   1.718   3.589
  377    HG   LEU  52           HG       LEU  52  -1.721   1.534   4.247
  378   HD11  LEU  52          HD11      LEU  52  -1.442   1.589   1.802
  379   HD12  LEU  52          HD12      LEU  52  -3.193   1.486   1.616
  380   HD13  LEU  52          HD13      LEU  52  -2.304   0.150   2.346
  381   HD21  LEU  52          HD21      LEU  52  -1.554   3.678   3.078
  382   HD22  LEU  52          HD22      LEU  52  -2.594   3.804   4.499
  383   HD23  LEU  52          HD23      LEU  52  -3.308   3.712   2.890
  384    H    GLU  53           HN       GLU  53  -4.689  -0.353   6.568
  385    HA   GLU  53           HA       GLU  53  -7.460  -0.417   6.242
  386    HB2  GLU  53           HB2      GLU  53  -5.723  -1.948   8.180
  387    HB3  GLU  53           HB1      GLU  53  -7.418  -2.301   7.876
  388    HG2  GLU  53           HG2      GLU  53  -6.886  -2.677   5.504
  389    HG3  GLU  53           HG1      GLU  53  -5.181  -2.436   5.872
  390    H    SER  54           HN       SER  54  -5.635   0.151   9.262
  391    HA   SER  54           HA       SER  54  -7.954   0.672  10.793
  392    HB2  SER  54           HB2      SER  54  -5.132   1.576  11.391
  393    HB3  SER  54           HB1      SER  54  -6.436   1.306  12.553
  394    HG   SER  54           HG       SER  54  -4.786  -0.509  11.254
  395    H    ARG  55           HN       ARG  55  -5.892   2.718   8.853
  396    HA   ARG  55           HA       ARG  55  -6.675   5.182  10.079
  397    HB2  ARG  55           HB2      ARG  55  -4.504   4.892   8.973
  398    HB3  ARG  55           HB1      ARG  55  -5.313   4.644   7.435
  399    HG2  ARG  55           HG2      ARG  55  -6.097   6.924   7.425
  400    HG3  ARG  55           HG1      ARG  55  -5.447   7.184   9.045
  401    HD2  ARG  55           HD2      ARG  55  -3.210   6.966   8.282
  402    HD3  ARG  55           HD1      ARG  55  -3.735   6.372   6.709
  403    HE   ARG  55           HE       ARG  55  -4.833   8.879   6.921
  404   HH11  ARG  55          HH11      ARG  55  -1.587   7.570   7.106
  405   HH12  ARG  55          HH12      ARG  55  -0.842   8.979   6.444
  406   HH21  ARG  55          HH21      ARG  55  -3.851  10.755   6.065
  407   HH22  ARG  55          HH22      ARG  55  -2.133  10.806   5.841
  408    H    TYR  56           HN       TYR  56  -7.601   3.504   7.076
  409    HA   TYR  56           HA       TYR  56  -9.537   5.643   6.563
  410    HB2  TYR  56           HB2      TYR  56  -8.357   3.526   4.771
  411    HB3  TYR  56           HB1      TYR  56  -9.715   4.539   4.280
  412    HD1  TYR  56           HD2      TYR  56  -9.405   6.944   3.929
  413    HD2  TYR  56           HD1      TYR  56  -6.149   4.423   4.968
  414    HE1  TYR  56           HE2      TYR  56  -7.830   8.687   3.200
  415    HE2  TYR  56           HE1      TYR  56  -4.566   6.148   4.240
  416    HH   TYR  56           HH       TYR  56  -5.515   9.345   3.546
  417    H    GLY  57           HN       GLY  57  -9.485   2.709   8.050
  418    HA2  GLY  57           HA2      GLY  57 -11.256   1.543   8.969
  419    HA3  GLY  57           HA1      GLY  57 -12.350   2.644   8.148
  420    H    VAL  58           HN       VAL  58  -9.869   0.565   6.723
  421    HA   VAL  58           HA       VAL  58 -12.034  -0.788   5.250
  422    HB   VAL  58           HB       VAL  58 -10.460  -1.187   3.418
  423   HG11  VAL  58          HG11      VAL  58 -10.639   1.716   4.213
  424   HG12  VAL  58          HG12      VAL  58 -11.858   0.795   3.332
  425   HG13  VAL  58          HG13      VAL  58 -10.290   1.113   2.592
  426   HG21  VAL  58          HG21      VAL  58  -8.287  -0.035   3.366
  427   HG22  VAL  58          HG22      VAL  58  -8.374  -1.232   4.658
  428   HG23  VAL  58          HG23      VAL  58  -8.534   0.483   5.034
  429    H    SER  59           HN       SER  59 -11.127  -2.957   4.308
  430    HA   SER  59           HA       SER  59  -9.386  -4.313   6.214
  431    HB2  SER  59           HB2      SER  59 -12.109  -5.345   5.373
  432    HB3  SER  59           HB1      SER  59 -10.939  -6.221   6.350
  433    HG   SER  59           HG       SER  59 -11.102  -4.379   7.849
  434    H    ILE  60           HN       ILE  60  -7.820  -5.212   5.055
  435    HA   ILE  60           HA       ILE  60  -8.318  -5.911   2.250
  436    HB   ILE  60           HB       ILE  60  -5.702  -5.905   3.775
  437   HG12  ILE  60          HG12      ILE  60  -6.792  -3.850   1.828
  438   HG13  ILE  60          HG11      ILE  60  -6.720  -3.642   3.575
  439   HG21  ILE  60          HG21      ILE  60  -6.267  -6.094   0.817
  440   HG22  ILE  60          HG22      ILE  60  -5.721  -7.412   1.853
  441   HG23  ILE  60          HG23      ILE  60  -4.668  -6.027   1.562
  442   HD11  ILE  60          HD11      ILE  60  -4.284  -3.774   3.495
  443   HD12  ILE  60          HD12      ILE  60  -4.899  -2.475   2.471
  444   HD13  ILE  60          HD13      ILE  60  -4.353  -3.988   1.745
  445    HA   PRO  61           HA       PRO  61  -8.981 -10.082   3.819
  446    HB2  PRO  61           HB2      PRO  61  -9.321 -10.656   0.945
  447    HB3  PRO  61           HB1      PRO  61 -10.433 -10.944   2.285
  448    HG2  PRO  61           HG2      PRO  61 -10.876  -9.007   0.488
  449    HG3  PRO  61           HG1      PRO  61 -11.305  -8.808   2.198
  450    HD2  PRO  61           HD2      PRO  61  -8.960  -7.719   0.688
  451    HD3  PRO  61           HD1      PRO  61  -9.956  -6.942   1.937
  452    H    ASP  62           HN       ASP  62  -7.631 -11.767   4.021
  453    HA   ASP  62           HA       ASP  62  -4.972 -11.591   3.144
  454    HB2  ASP  62           HB2      ASP  62  -4.694 -13.833   4.073
  455    HB3  ASP  62           HB1      ASP  62  -5.662 -12.835   5.154
  456    H    ASP  63           HN       ASP  63  -7.721 -12.630   1.489
  457    HA   ASP  63           HA       ASP  63  -6.494 -14.573  -0.217
  458    HB2  ASP  63           HB2      ASP  63  -8.876 -14.684   0.166
  459    HB3  ASP  63           HB1      ASP  63  -9.089 -13.038  -0.418
  460    H    VAL  64           HN       VAL  64  -7.762 -11.293  -0.861
  461    HA   VAL  64           HA       VAL  64  -6.485 -11.181  -3.411
  462    HB   VAL  64           HB       VAL  64  -8.624 -10.013  -2.829
  463   HG11  VAL  64          HG11      VAL  64  -8.469  -7.811  -1.772
  464   HG12  VAL  64          HG12      VAL  64  -6.766  -8.113  -1.426
  465   HG13  VAL  64          HG13      VAL  64  -8.009  -9.118  -0.680
  466   HG21  VAL  64          HG21      VAL  64  -6.412  -8.341  -4.009
  467   HG22  VAL  64          HG22      VAL  64  -8.137  -8.015  -4.176
  468   HG23  VAL  64          HG23      VAL  64  -7.447  -9.481  -4.870
  469    H    ALA  65           HN       ALA  65  -5.473 -10.536  -0.238
  470    HA   ALA  65           HA       ALA  65  -3.563  -8.524  -0.640
  471    HB1  ALA  65           HB1      ALA  65  -3.443 -10.799   1.334
  472    HB2  ALA  65           HB2      ALA  65  -4.309  -9.283   1.576
  473    HB3  ALA  65           HB3      ALA  65  -2.552  -9.280   1.428
  474    H    GLY  66           HN       GLY  66  -3.519 -11.930  -1.318
  475    HA2  GLY  66           HA2      GLY  66  -0.658 -11.851  -1.954
  476    HA3  GLY  66           HA1      GLY  66  -1.656 -13.296  -1.867
  477    H    ARG  67           HN       ARG  67  -2.638 -10.415  -3.590
  478    HA   ARG  67           HA       ARG  67  -2.119 -11.774  -6.153
  479    HB2  ARG  67           HB2      ARG  67  -4.647 -10.299  -5.393
  480    HB3  ARG  67           HB1      ARG  67  -4.298 -10.967  -6.982
  481    HG2  ARG  67           HG2      ARG  67  -4.364 -12.696  -4.535
  482    HG3  ARG  67           HG1      ARG  67  -5.832 -12.282  -5.418
  483    HD2  ARG  67           HD2      ARG  67  -5.130 -14.359  -6.279
  484    HD3  ARG  67           HD1      ARG  67  -4.681 -13.162  -7.488
  485    HE   ARG  67           HE       ARG  67  -2.517 -13.660  -5.711
  486   HH11  ARG  67          HH11      ARG  67  -4.278 -15.071  -8.391
  487   HH12  ARG  67          HH12      ARG  67  -2.926 -16.002  -8.961
  488   HH21  ARG  67          HH21      ARG  67  -0.736 -14.910  -6.451
  489   HH22  ARG  67          HH22      ARG  67  -0.922 -15.921  -7.848
  490    H    VAL  68           HN       VAL  68  -1.973  -8.951  -4.266
  491    HA   VAL  68           HA       VAL  68  -1.858  -7.150  -6.550
  492    HB   VAL  68           HB       VAL  68  -1.614  -5.359  -4.799
  493   HG11  VAL  68          HG11      VAL  68  -4.005  -7.186  -4.595
  494   HG12  VAL  68          HG12      VAL  68  -3.775  -5.884  -5.762
  495   HG13  VAL  68          HG13      VAL  68  -3.955  -5.511  -4.047
  496   HG21  VAL  68          HG21      VAL  68  -2.185  -5.972  -2.466
  497   HG22  VAL  68          HG22      VAL  68  -0.644  -6.648  -2.993
  498   HG23  VAL  68          HG23      VAL  68  -2.076  -7.675  -2.917
  499    H    ASP  69           HN       ASP  69   0.018  -7.056  -7.615
  500    HA   ASP  69           HA       ASP  69   2.491  -7.516  -6.144
  501    HB2  ASP  69           HB2      ASP  69   3.575  -7.779  -8.301
  502    HB3  ASP  69           HB1      ASP  69   2.112  -8.753  -8.264
  503    H    THR  70           HN       THR  70   1.005  -5.008  -8.179
  504    HA   THR  70           HA       THR  70   3.168  -3.186  -7.402
  505    HB   THR  70           HB       THR  70   2.269  -1.653  -9.134
  506    HG1  THR  70           HG1      THR  70   0.744  -3.314 -10.536
  507   HG21  THR  70          HG21      THR  70   2.940  -2.959 -11.084
  508   HG22  THR  70          HG22      THR  70   2.808  -4.446 -10.147
  509   HG23  THR  70          HG23      THR  70   4.029  -3.246  -9.727
  510    HA   PRO  71           HA       PRO  71   0.660  -0.797  -4.536
  511    HB2  PRO  71           HB2      PRO  71   2.012   1.414  -6.039
  512    HB3  PRO  71           HB1      PRO  71   1.801   1.221  -4.294
  513    HG2  PRO  71           HG2      PRO  71   4.141   0.685  -5.387
  514    HG3  PRO  71           HG1      PRO  71   3.473  -0.413  -4.160
  515    HD2  PRO  71           HD2      PRO  71   3.586  -0.735  -7.132
  516    HD3  PRO  71           HD1      PRO  71   3.808  -1.950  -5.859
  517    H    ARG  72           HN       ARG  72   0.932   0.022  -7.976
  518    HA   ARG  72           HA       ARG  72  -1.340   1.583  -8.294
  519    HB2  ARG  72           HB2      ARG  72  -0.180   1.573 -10.244
  520    HB3  ARG  72           HB1      ARG  72   0.365  -0.078 -10.035
  521    HG2  ARG  72           HG2      ARG  72  -0.976  -0.067 -11.973
  522    HG3  ARG  72           HG1      ARG  72  -1.966  -0.800 -10.714
  523    HD2  ARG  72           HD2      ARG  72  -3.360   0.706 -11.907
  524    HD3  ARG  72           HD1      ARG  72  -3.000   1.454 -10.351
  525    HE   ARG  72           HE       ARG  72  -1.089   2.411 -12.075
  526   HH11  ARG  72          HH11      ARG  72  -4.596   2.406 -12.020
  527   HH12  ARG  72          HH12      ARG  72  -4.730   3.936 -12.836
  528   HH21  ARG  72          HH21      ARG  72  -1.274   4.387 -13.204
  529   HH22  ARG  72          HH22      ARG  72  -2.848   5.038 -13.543
  530    H    GLU  73           HN       GLU  73  -1.054  -1.972  -8.459
  531    HA   GLU  73           HA       GLU  73  -3.786  -2.482  -8.955
  532    HB2  GLU  73           HB2      GLU  73  -1.715  -4.209  -7.575
  533    HB3  GLU  73           HB1      GLU  73  -3.290  -4.775  -8.106
  534    HG2  GLU  73           HG2      GLU  73  -1.170  -3.658  -9.923
  535    HG3  GLU  73           HG1      GLU  73  -1.446  -5.374  -9.628
  536    H    LEU  74           HN       LEU  74  -1.891  -2.289  -6.000
  537    HA   LEU  74           HA       LEU  74  -3.870  -3.089  -4.178
  538    HB2  LEU  74           HB2      LEU  74  -1.339  -2.843  -3.866
  539    HB3  LEU  74           HB1      LEU  74  -1.645  -1.141  -3.591
  540    HG   LEU  74           HG       LEU  74  -1.360  -2.658  -1.552
  541   HD11  LEU  74          HD11      LEU  74  -3.825  -0.941  -1.744
  542   HD12  LEU  74          HD12      LEU  74  -2.189  -0.372  -1.407
  543   HD13  LEU  74          HD13      LEU  74  -3.008  -1.431  -0.258
  544   HD21  LEU  74          HD21      LEU  74  -3.387  -3.798  -0.793
  545   HD22  LEU  74          HD22      LEU  74  -2.770  -4.486  -2.296
  546   HD23  LEU  74          HD23      LEU  74  -4.173  -3.416  -2.325
  547    H    LEU  75           HN       LEU  75  -2.815   0.165  -5.140
  548    HA   LEU  75           HA       LEU  75  -4.620   1.627  -3.581
  549    HB2  LEU  75           HB2      LEU  75  -2.646   2.564  -4.790
  550    HB3  LEU  75           HB1      LEU  75  -3.524   2.387  -6.295
  551    HG   LEU  75           HG       LEU  75  -5.248   3.973  -5.411
  552   HD11  LEU  75          HD11      LEU  75  -4.656   5.345  -3.475
  553   HD12  LEU  75          HD12      LEU  75  -3.233   4.341  -3.202
  554   HD13  LEU  75          HD13      LEU  75  -4.845   3.648  -3.034
  555   HD21  LEU  75          HD21      LEU  75  -2.417   5.013  -5.514
  556   HD22  LEU  75          HD22      LEU  75  -3.885   5.961  -5.749
  557   HD23  LEU  75          HD23      LEU  75  -3.451   4.706  -6.908
  558    H    ASP  76           HN       ASP  76  -4.887   0.521  -6.944
  559    HA   ASP  76           HA       ASP  76  -7.366   1.619  -7.554
  560    HB2  ASP  76           HB2      ASP  76  -5.843   0.598  -9.197
  561    HB3  ASP  76           HB1      ASP  76  -6.196  -0.992  -8.531
  562    H    LEU  77           HN       LEU  77  -6.571  -1.449  -6.019
  563    HA   LEU  77           HA       LEU  77  -9.133  -2.591  -6.018
  564    HB2  LEU  77           HB2      LEU  77  -7.133  -3.888  -5.574
  565    HB3  LEU  77           HB1      LEU  77  -6.811  -2.959  -4.123
  566    HG   LEU  77           HG       LEU  77  -8.972  -3.857  -3.185
  567   HD11  LEU  77          HD11      LEU  77  -9.895  -5.872  -4.190
  568   HD12  LEU  77          HD12      LEU  77  -8.761  -5.738  -5.535
  569   HD13  LEU  77          HD13      LEU  77 -10.006  -4.509  -5.305
  570   HD21  LEU  77          HD21      LEU  77  -6.755  -4.720  -2.569
  571   HD22  LEU  77          HD22      LEU  77  -6.861  -5.890  -3.885
  572   HD23  LEU  77          HD23      LEU  77  -7.996  -5.972  -2.539
  573    H    ILE  78           HN       ILE  78  -7.434  -0.878  -3.393
  574    HA   ILE  78           HA       ILE  78  -9.630  -0.954  -1.606
  575    HB   ILE  78           HB       ILE  78  -7.250   0.911  -1.577
  576   HG12  ILE  78          HG12      ILE  78  -7.685  -1.755  -0.208
  577   HG13  ILE  78          HG11      ILE  78  -6.607  -1.473  -1.571
  578   HG21  ILE  78          HG21      ILE  78  -9.085   1.695  -0.171
  579   HG22  ILE  78          HG22      ILE  78  -7.730   1.141   0.812
  580   HG23  ILE  78          HG23      ILE  78  -9.156   0.121   0.624
  581   HD11  ILE  78          HD11      ILE  78  -5.387  -1.597   0.522
  582   HD12  ILE  78          HD12      ILE  78  -6.335  -0.256   1.166
  583   HD13  ILE  78          HD13      ILE  78  -5.252   0.006  -0.201
  584    H    ASN  79           HN       ASN  79  -8.403   1.542  -3.801
  585    HA   ASN  79           HA       ASN  79 -10.098   3.629  -2.976
  586    HB2  ASN  79           HB2      ASN  79  -8.036   3.743  -4.493
  587    HB3  ASN  79           HB1      ASN  79  -9.105   3.256  -5.802
  588   HD21  ASN  79          HD21      ASN  79  -8.093   5.792  -3.729
  589   HD22  ASN  79          HD22      ASN  79  -9.041   7.044  -4.446
  590    H    GLY  80           HN       GLY  80 -10.465   1.139  -5.471
  591    HA2  GLY  80           HA2      GLY  80 -12.950   2.054  -6.478
  592    HA3  GLY  80           HA1      GLY  80 -12.295   0.432  -6.671
  593    H    ALA  81           HN       ALA  81 -12.107  -0.012  -3.770
  594    HA   ALA  81           HA       ALA  81 -14.758  -0.987  -3.332
  595    HB1  ALA  81           HB1      ALA  81 -12.805  -2.200  -2.498
  596    HB2  ALA  81           HB2      ALA  81 -13.903  -1.781  -1.183
  597    HB3  ALA  81           HB3      ALA  81 -12.422  -0.856  -1.424
  598    H    LEU  82           HN       LEU  82 -12.923   1.799  -2.287
  599    HA   LEU  82           HA       LEU  82 -14.717   2.636  -0.249
  600    HB2  LEU  82           HB2      LEU  82 -12.648   4.132  -1.850
  601    HB3  LEU  82           HB1      LEU  82 -13.557   4.850  -0.533
  602    HG   LEU  82           HG       LEU  82 -11.738   2.461  -0.250
  603   HD11  LEU  82          HD11      LEU  82 -10.211   3.991   0.883
  604   HD12  LEU  82          HD12      LEU  82 -11.283   5.342   0.516
  605   HD13  LEU  82          HD13      LEU  82 -10.475   4.478  -0.793
  606   HD21  LEU  82          HD21      LEU  82 -13.541   2.492   1.378
  607   HD22  LEU  82          HD22      LEU  82 -13.145   4.157   1.803
  608   HD23  LEU  82          HD23      LEU  82 -11.997   2.862   2.146
  609    H    ALA  83           HN       ALA  83 -14.728   2.882  -3.684
  610    HA   ALA  83           HA       ALA  83 -16.395   5.141  -3.983
  611    HB1  ALA  83           HB1      ALA  83 -16.755   4.372  -6.245
  612    HB2  ALA  83           HB2      ALA  83 -16.138   2.775  -5.831
  613    HB3  ALA  83           HB3      ALA  83 -15.056   4.169  -5.811
  614    H    GLU  84           HN       GLU  84 -17.029   1.981  -2.876
  615    HA   GLU  84           HA       GLU  84 -19.924   2.370  -3.246
  616    HB2  GLU  84           HB2      GLU  84 -18.348  -0.163  -2.749
  617    HB3  GLU  84           HB1      GLU  84 -20.101  -0.079  -2.846
  618    HG2  GLU  84           HG2      GLU  84 -19.945   0.677  -5.160
  619    HG3  GLU  84           HG1      GLU  84 -18.186   0.616  -5.064
  620    H    ALA  85           HN       ALA  85 -17.847   3.244  -1.100
  621    HA   ALA  85           HA       ALA  85 -19.407   2.305   1.219
  622    HB1  ALA  85           HB1      ALA  85 -17.094   1.521   1.284
  623    HB2  ALA  85           HB2      ALA  85 -17.404   2.676   2.581
  624    HB3  ALA  85           HB3      ALA  85 -16.522   3.181   1.138
  625    H    ALA  86           HN       ALA  86 -19.612   4.662  -0.709
  626    HA   ALA  86           HA       ALA  86 -19.387   6.880   1.196
  627    HB1  ALA  86           HB1      ALA  86 -19.739   6.887  -1.803
  628    HB2  ALA  86           HB2      ALA  86 -18.270   7.281  -0.909
  629    HB3  ALA  86           HB3      ALA  86 -19.682   8.331  -0.792
  630    H28  SXO  87          H28B      SXO  87   5.893 -11.757   5.380
  631   H28A  SXO  87          H28A      SXO  87   6.991 -11.757   6.761
  632    H30  SXO  87          H30A      SXO  87   4.024 -13.549   7.947
  633   H30A  SXO  87          H30C      SXO  87   5.087 -12.166   8.203
  634   H30B  SXO  87          H30B      SXO  87   4.017 -12.205   6.804
  635    H31  SXO  87          H31A      SXO  87   4.524 -15.154   6.027
  636   H31A  SXO  87          H31B      SXO  87   5.861 -14.777   4.939
  637   H31B  SXO  87          H31C      SXO  87   4.425 -13.754   4.961
  638    H32  SXO  87          H32A      SXO  87   6.907 -13.783   8.440
  639   HO33  SXO  87          H33A      SXO  87   7.882 -14.213   6.040
  640   HN36  SXO  87          H36A      SXO  87   4.688 -14.579   9.185
  641    H37  SXO  87          H37A      SXO  87   4.646 -17.518   9.262
  642   H37A  SXO  87          H37B      SXO  87   3.907 -16.434  10.440
  643    H38  SXO  87          H38B      SXO  87   2.193 -17.510   9.105
  644   H38A  SXO  87          H38A      SXO  87   2.962 -16.952   7.621
  645   HN41  SXO  87          H41A      SXO  87   1.560 -15.642   6.768
  646    H42  SXO  87          H42A      SXO  87  -0.440 -14.123   7.522
  647   H42A  SXO  87          H42B      SXO  87   0.899 -13.144   8.123
  648    H43  SXO  87          H43B      SXO  87   1.847 -13.140   5.822
  649   H43A  SXO  87          H43A      SXO  87   0.371 -13.939   5.267
  650    H2   SXO  87           H2A      SXO  87   0.693  -9.728   2.912
  651    H2A  SXO  87           H2B      SXO  87   1.028  -9.306   4.591
  652    H3   SXO  87           H3B      SXO  87  -1.685  -9.872   3.397
  653    H3A  SXO  87           H3A      SXO  87  -1.375  -9.522   5.100
  654    H4   SXO  87           H4A      SXO  87  -0.460  -7.327   4.457
  655    H4A  SXO  87           H4B      SXO  87  -2.136  -7.524   3.944
  656    H5   SXO  87           H5B      SXO  87   0.286  -7.911   2.189
  657    H5A  SXO  87           H5A      SXO  87  -1.398  -8.060   1.683
  658    H6   SXO  87           H6A      SXO  87  -0.066  -5.559   2.715
  659    H6A  SXO  87           H6B      SXO  87  -1.767  -5.700   2.264
  660    H7   SXO  87           H7A      SXO  87  -1.141  -6.202  -0.038
  661    H7A  SXO  87           H7B      SXO  87   0.574  -6.137   0.401
  662    H8   SXO  87           H8C      SXO  87   0.323  -3.788   1.021
  663    H8A  SXO  87           H8A      SXO  87  -1.389  -3.857   0.609
  664    H8B  SXO  87           H8B      SXO  87  -0.174  -4.050  -0.653
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1 -15.131  16.874  -2.797
    2    H2   MET   1           HT2      MET   1 -14.959  16.202  -1.250
    3    H3   MET   1           HT3      MET   1 -16.223  15.691  -2.258
    4    HA   MET   1           HA       MET   1 -14.533  14.857  -3.849
    5    HB2  MET   1           HB2      MET   1 -12.715  15.318  -1.473
    6    HB3  MET   1           HB1      MET   1 -12.265  14.521  -2.974
    7    HG2  MET   1           HG2      MET   1 -12.570  16.581  -4.198
    8    HG3  MET   1           HG1      MET   1 -13.132  17.393  -2.740
    9    HE1  MET   1           HE1      MET   1 -10.188  14.789  -3.081
   10    HE2  MET   1           HE2      MET   1  -8.816  15.868  -3.351
   11    HE3  MET   1           HE3      MET   1 -10.091  15.736  -4.564
   12    H    ALA   2           HN       ALA   2 -14.112  12.597  -3.765
   13    HA   ALA   2           HA       ALA   2 -15.715  11.205  -1.851
   14    HB1  ALA   2           HB1      ALA   2 -15.078   9.201  -3.050
   15    HB2  ALA   2           HB2      ALA   2 -13.814  10.087  -3.905
   16    HB3  ALA   2           HB3      ALA   2 -15.511  10.476  -4.188
   17    H    THR   3           HN       THR   3 -15.134  10.013  -0.119
   18    HA   THR   3           HA       THR   3 -12.505  10.410   0.979
   19    HB   THR   3           HB       THR   3 -14.670   8.692   2.126
   20    HG1  THR   3           HG1      THR   3 -14.339  11.511   2.429
   21   HG21  THR   3          HG21      THR   3 -12.426  10.279   3.365
   22   HG22  THR   3          HG22      THR   3 -12.518   8.524   3.232
   23   HG23  THR   3          HG23      THR   3 -13.653   9.389   4.269
   24    H    LEU   4           HN       LEU   4 -10.917   9.194   0.106
   25    HA   LEU   4           HA       LEU   4 -11.047   6.341   0.412
   26    HB2  LEU   4           HB2      LEU   4 -10.357   5.992  -2.018
   27    HB3  LEU   4           HB1      LEU   4 -12.046   6.300  -1.676
   28    HG   LEU   4           HG       LEU   4 -11.599   8.725  -2.301
   29   HD11  LEU   4          HD11      LEU   4  -9.168   8.692  -2.155
   30   HD12  LEU   4          HD12      LEU   4  -9.706   9.156  -3.769
   31   HD13  LEU   4          HD13      LEU   4  -9.096   7.527  -3.478
   32   HD21  LEU   4          HD21      LEU   4 -11.785   8.255  -4.695
   33   HD22  LEU   4          HD22      LEU   4 -12.819   7.199  -3.734
   34   HD23  LEU   4          HD23      LEU   4 -11.305   6.584  -4.400
   35    H    LEU   5           HN       LEU   5  -8.901   5.471  -0.850
   36    HA   LEU   5           HA       LEU   5  -6.772   6.674   0.675
   37    HB2  LEU   5           HB2      LEU   5  -7.324   4.125   0.008
   38    HB3  LEU   5           HB1      LEU   5  -6.245   4.520  -1.314
   39    HG   LEU   5           HG       LEU   5  -5.539   4.694   1.620
   40   HD11  LEU   5          HD11      LEU   5  -4.163   2.741   1.199
   41   HD12  LEU   5          HD12      LEU   5  -4.721   2.692  -0.473
   42   HD13  LEU   5          HD13      LEU   5  -5.858   2.400   0.841
   43   HD21  LEU   5          HD21      LEU   5  -3.841   5.055  -0.850
   44   HD22  LEU   5          HD22      LEU   5  -3.248   5.013   0.811
   45   HD23  LEU   5          HD23      LEU   5  -4.311   6.319   0.289
   46    H    THR   6           HN       THR   6  -5.294   8.084  -0.108
   47    HA   THR   6           HA       THR   6  -5.422   8.715  -2.969
   48    HB   THR   6           HB       THR   6  -4.409  10.856  -2.430
   49    HG1  THR   6           HG1      THR   6  -4.559  10.552   0.324
   50   HG21  THR   6          HG21      THR   6  -6.175  11.832  -1.052
   51   HG22  THR   6          HG22      THR   6  -6.653  10.224  -0.507
   52   HG23  THR   6          HG23      THR   6  -6.848  10.676  -2.201
   53    H    THR   7           HN       THR   7  -3.491   9.075  -4.151
   54    HA   THR   7           HA       THR   7  -1.439   7.209  -3.791
   55    HB   THR   7           HB       THR   7  -1.282   9.815  -5.324
   56    HG1  THR   7           HG1      THR   7  -2.574   7.383  -5.806
   57   HG21  THR   7          HG21      THR   7   0.896   8.762  -5.064
   58   HG22  THR   7          HG22      THR   7   0.339   8.582  -6.730
   59   HG23  THR   7          HG23      THR   7   0.240   7.222  -5.613
   60    H    ASP   8           HN       ASP   8  -1.701  10.582  -2.761
   61    HA   ASP   8           HA       ASP   8   1.002  10.813  -1.894
   62    HB2  ASP   8           HB2      ASP   8  -0.532  12.734  -2.448
   63    HB3  ASP   8           HB1      ASP   8  -1.350  12.437  -0.915
   64    H    ASP   9           HN       ASP   9  -2.045  10.027  -0.230
   65    HA   ASP   9           HA       ASP   9  -1.004   9.710   2.364
   66    HB2  ASP   9           HB2      ASP   9  -3.410   8.747   0.928
   67    HB3  ASP   9           HB1      ASP   9  -2.921   7.797   2.327
   68    H    LEU  10           HN       LEU  10  -1.277   7.476  -0.337
   69    HA   LEU  10           HA       LEU  10  -0.272   5.184   0.897
   70    HB2  LEU  10           HB2      LEU  10  -1.015   5.993  -1.692
   71    HB3  LEU  10           HB1      LEU  10   0.641   5.451  -1.840
   72    HG   LEU  10           HG       LEU  10  -1.718   3.849  -0.852
   73   HD11  LEU  10          HD11      LEU  10  -1.607   4.088  -3.259
   74   HD12  LEU  10          HD12      LEU  10  -1.208   2.437  -2.784
   75   HD13  LEU  10          HD13      LEU  10   0.075   3.554  -3.253
   76   HD21  LEU  10          HD21      LEU  10   1.188   3.057  -0.985
   77   HD22  LEU  10          HD22      LEU  10  -0.161   1.969  -0.657
   78   HD23  LEU  10          HD23      LEU  10   0.223   3.261   0.479
   79    H    ARG  11           HN       ARG  11   1.429   7.708  -0.957
   80    HA   ARG  11           HA       ARG  11   4.032   6.784  -0.637
   81    HB2  ARG  11           HB2      ARG  11   3.496   8.573  -2.171
   82    HB3  ARG  11           HB1      ARG  11   2.991   9.614  -0.848
   83    HG2  ARG  11           HG2      ARG  11   5.270   9.721  -0.024
   84    HG3  ARG  11           HG1      ARG  11   5.793   8.607  -1.284
   85    HD2  ARG  11           HD2      ARG  11   4.496  11.254  -1.882
   86    HD3  ARG  11           HD1      ARG  11   6.238  11.062  -1.703
   87    HE   ARG  11           HE       ARG  11   5.042   9.267  -3.615
   88   HH11  ARG  11          HH11      ARG  11   6.340  12.484  -3.154
   89   HH12  ARG  11          HH12      ARG  11   6.938  12.618  -4.785
   90   HH21  ARG  11          HH21      ARG  11   5.827   9.456  -5.780
   91   HH22  ARG  11          HH22      ARG  11   6.637  10.909  -6.263
   92    H    ARG  12           HN       ARG  12   2.108   8.835   1.524
   93    HA   ARG  12           HA       ARG  12   4.117   9.296   3.442
   94    HB2  ARG  12           HB2      ARG  12   1.119   9.218   3.630
   95    HB3  ARG  12           HB1      ARG  12   2.126   9.531   5.034
   96    HG2  ARG  12           HG2      ARG  12   2.030  11.178   2.517
   97    HG3  ARG  12           HG1      ARG  12   1.297  11.588   4.065
   98    HD2  ARG  12           HD2      ARG  12   3.235  12.791   4.215
   99    HD3  ARG  12           HD1      ARG  12   3.762  11.269   4.935
  100    HE   ARG  12           HE       ARG  12   4.275  11.030   2.247
  101   HH11  ARG  12          HH11      ARG  12   5.297  13.165   4.839
  102   HH12  ARG  12          HH12      ARG  12   6.794  13.581   4.060
  103   HH21  ARG  12          HH21      ARG  12   6.247  11.598   1.240
  104   HH22  ARG  12          HH22      ARG  12   7.339  12.699   2.032
  105    H    ALA  13           HN       ALA  13   1.659   6.740   3.204
  106    HA   ALA  13           HA       ALA  13   2.139   5.589   5.715
  107    HB1  ALA  13           HB1      ALA  13   1.020   4.251   3.257
  108    HB2  ALA  13           HB2      ALA  13   0.099   5.212   4.414
  109    HB3  ALA  13           HB3      ALA  13   0.844   3.696   4.923
  110    H    LEU  14           HN       LEU  14   3.529   4.849   2.538
  111    HA   LEU  14           HA       LEU  14   4.982   2.566   3.286
  112    HB2  LEU  14           HB2      LEU  14   5.209   4.576   1.105
  113    HB3  LEU  14           HB1      LEU  14   6.598   3.553   1.400
  114    HG   LEU  14           HG       LEU  14   5.293   2.578  -0.355
  115   HD11  LEU  14          HD11      LEU  14   4.910   1.075   2.226
  116   HD12  LEU  14          HD12      LEU  14   6.310   0.999   1.152
  117   HD13  LEU  14          HD13      LEU  14   4.747   0.389   0.611
  118   HD21  LEU  14          HD21      LEU  14   2.974   1.904  -0.058
  119   HD22  LEU  14          HD22      LEU  14   3.162   3.648   0.117
  120   HD23  LEU  14          HD23      LEU  14   2.959   2.636   1.547
  121    H    VAL  15           HN       VAL  15   5.811   5.990   3.424
  122    HA   VAL  15           HA       VAL  15   8.468   5.635   4.362
  123    HB   VAL  15           HB       VAL  15   6.609   8.011   4.568
  124   HG11  VAL  15          HG11      VAL  15   8.312   8.133   6.320
  125   HG12  VAL  15          HG12      VAL  15   8.598   9.347   5.073
  126   HG13  VAL  15          HG13      VAL  15   9.576   7.880   5.115
  127   HG21  VAL  15          HG21      VAL  15   8.925   7.450   2.723
  128   HG22  VAL  15          HG22      VAL  15   7.927   8.904   2.730
  129   HG23  VAL  15          HG23      VAL  15   7.217   7.350   2.286
  130    H    GLU  16           HN       GLU  16   5.433   6.473   6.015
  131    HA   GLU  16           HA       GLU  16   6.453   6.655   8.613
  132    HB2  GLU  16           HB2      GLU  16   3.685   5.859   7.694
  133    HB3  GLU  16           HB1      GLU  16   4.102   6.326   9.338
  134    HG2  GLU  16           HG2      GLU  16   4.678   8.548   8.610
  135    HG3  GLU  16           HG1      GLU  16   4.422   8.098   6.924
  136    H    SER  17           HN       SER  17   5.563   3.854   6.731
  137    HA   SER  17           HA       SER  17   5.482   2.111   9.036
  138    HB2  SER  17           HB2      SER  17   4.001   1.823   7.011
  139    HB3  SER  17           HB1      SER  17   5.435   1.307   6.123
  140    HG   SER  17           HG       SER  17   5.632  -0.254   7.999
  141    H    ALA  18           HN       ALA  18   7.797   2.971   6.530
  142    HA   ALA  18           HA       ALA  18   9.516   0.753   7.411
  143    HB1  ALA  18           HB1      ALA  18   8.975   0.756   5.034
  144    HB2  ALA  18           HB2      ALA  18  10.701   0.995   5.302
  145    HB3  ALA  18           HB3      ALA  18   9.675   2.365   4.871
  146    H    GLY  19           HN       GLY  19  10.326   3.880   5.913
  147    HA2  GLY  19           HA2      GLY  19  11.983   4.569   8.201
  148    HA3  GLY  19           HA1      GLY  19  12.840   4.207   6.710
  149    H    GLU  20           HN       GLU  20  12.531   6.710   8.305
  150    HA   GLU  20           HA       GLU  20  10.853   8.438   6.729
  151    HB2  GLU  20           HB2      GLU  20  12.765   9.020   8.992
  152    HB3  GLU  20           HB1      GLU  20  11.742  10.229   8.223
  153    HG2  GLU  20           HG2      GLU  20   9.756   9.020   8.924
  154    HG3  GLU  20           HG1      GLU  20  10.763   7.766   9.651
  155    H    THR  21           HN       THR  21  11.820   8.143   4.692
  156    HA   THR  21           HA       THR  21  12.845   9.114   2.914
  157    HB   THR  21           HB       THR  21  14.318  10.978   4.778
  158    HG1  THR  21           HG1      THR  21  12.424  11.745   5.314
  159   HG21  THR  21          HG21      THR  21  13.285  11.325   1.958
  160   HG22  THR  21          HG22      THR  21  14.967  11.028   2.399
  161   HG23  THR  21          HG23      THR  21  14.175  12.525   2.893
  162    H    ASP  22           HN       ASP  22  14.328   7.327   5.192
  163    HA   ASP  22           HA       ASP  22  16.775   7.138   3.577
  164    HB2  ASP  22           HB2      ASP  22  17.220   8.322   5.743
  165    HB3  ASP  22           HB1      ASP  22  16.706   6.863   6.587
  166    H    GLY  23           HN       GLY  23  16.645   5.261   2.580
  167    HA2  GLY  23           HA2      GLY  23  17.138   2.839   3.185
  168    HA3  GLY  23           HA1      GLY  23  15.634   2.928   4.091
  169    H    THR  24           HN       THR  24  13.794   3.906   2.674
  170    HA   THR  24           HA       THR  24  13.845   2.501   0.100
  171    HB   THR  24           HB       THR  24  11.292   2.581   0.364
  172    HG1  THR  24           HG1      THR  24  10.555   2.810   2.492
  173   HG21  THR  24          HG21      THR  24  11.299   0.564   1.790
  174   HG22  THR  24          HG22      THR  24  12.972   0.903   2.236
  175   HG23  THR  24          HG23      THR  24  12.565   0.526   0.562
  176    H    ASP  25           HN       ASP  25  14.628   4.176  -1.142
  177    HA   ASP  25           HA       ASP  25  13.548   6.823  -1.013
  178    HB2  ASP  25           HB2      ASP  25  15.843   6.529  -1.717
  179    HB3  ASP  25           HB1      ASP  25  15.343   5.492  -3.047
  180    H    LEU  26           HN       LEU  26  11.388   6.724  -1.343
  181    HA   LEU  26           HA       LEU  26  10.456   5.892  -4.008
  182    HB2  LEU  26           HB2      LEU  26   9.117   6.187  -1.341
  183    HB3  LEU  26           HB1      LEU  26   8.163   6.358  -2.798
  184    HG   LEU  26           HG       LEU  26   8.805   4.078  -3.487
  185   HD11  LEU  26          HD11      LEU  26   9.940   2.580  -1.990
  186   HD12  LEU  26          HD12      LEU  26  10.103   3.853  -0.782
  187   HD13  LEU  26          HD13      LEU  26  10.971   3.975  -2.313
  188   HD21  LEU  26          HD21      LEU  26   7.484   2.883  -1.824
  189   HD22  LEU  26          HD22      LEU  26   6.746   4.427  -2.244
  190   HD23  LEU  26          HD23      LEU  26   7.621   4.251  -0.721
  191    H    SER  27           HN       SER  27  11.961   8.305  -3.489
  192    HA   SER  27           HA       SER  27  10.160  10.526  -3.318
  193    HB2  SER  27           HB2      SER  27  13.058  10.567  -4.184
  194    HB3  SER  27           HB1      SER  27  12.122  11.894  -3.493
  195    HG   SER  27           HG       SER  27  13.389   9.771  -2.255
  196    H    GLY  28           HN       GLY  28  10.903   8.436  -5.799
  197    HA2  GLY  28           HA2      GLY  28  10.297  10.466  -7.850
  198    HA3  GLY  28           HA1      GLY  28  11.032   8.901  -8.173
  199    H    ASP  29           HN       ASP  29   9.733   7.017  -8.047
  200    HA   ASP  29           HA       ASP  29   6.841   7.462  -7.802
  201    HB2  ASP  29           HB2      ASP  29   6.314   6.203  -9.725
  202    HB3  ASP  29           HB1      ASP  29   7.610   7.274 -10.246
  203    H    PHE  30           HN       PHE  30   5.870   5.004  -7.949
  204    HA   PHE  30           HA       PHE  30   7.441   3.006  -6.710
  205    HB2  PHE  30           HB2      PHE  30   6.426   2.952  -4.496
  206    HB3  PHE  30           HB1      PHE  30   7.216   4.498  -4.756
  207    HD1  PHE  30           HD2      PHE  30   5.653   6.433  -5.592
  208    HD2  PHE  30           HD1      PHE  30   4.285   2.897  -3.656
  209    HE1  PHE  30           HE2      PHE  30   3.569   7.581  -4.970
  210    HE2  PHE  30           HE1      PHE  30   2.204   4.046  -3.031
  211    HZ   PHE  30           HZ       PHE  30   1.841   6.390  -3.686
  212    H    LEU  31           HN       LEU  31   4.319   4.308  -7.522
  213    HA   LEU  31           HA       LEU  31   2.631   2.200  -7.019
  214    HB2  LEU  31           HB2      LEU  31   2.576   4.169  -9.291
  215    HB3  LEU  31           HB1      LEU  31   1.254   3.082  -8.910
  216    HG   LEU  31           HG       LEU  31   2.334   5.224  -7.069
  217   HD11  LEU  31          HD11      LEU  31   0.202   6.350  -7.529
  218   HD12  LEU  31          HD12      LEU  31  -0.153   5.130  -8.757
  219   HD13  LEU  31          HD13      LEU  31   1.227   6.209  -8.958
  220   HD21  LEU  31          HD21      LEU  31   1.410   3.397  -5.802
  221   HD22  LEU  31          HD22      LEU  31  -0.033   3.371  -6.815
  222   HD23  LEU  31          HD23      LEU  31   0.284   4.752  -5.766
  223    H    ASP  32           HN       ASP  32   4.864   2.558  -9.712
  224    HA   ASP  32           HA       ASP  32   3.635   0.289 -11.076
  225    HB2  ASP  32           HB2      ASP  32   5.916   2.047 -11.989
  226    HB3  ASP  32           HB1      ASP  32   5.040   0.876 -12.968
  227    H    LEU  33           HN       LEU  33   6.155   0.885  -8.923
  228    HA   LEU  33           HA       LEU  33   7.872  -1.245  -9.917
  229    HB2  LEU  33           HB2      LEU  33   8.112   0.549  -7.504
  230    HB3  LEU  33           HB1      LEU  33   9.305  -0.646  -7.976
  231    HG   LEU  33           HG       LEU  33   8.506   1.764  -9.612
  232   HD11  LEU  33          HD11      LEU  33  10.735   2.601  -9.073
  233   HD12  LEU  33          HD12      LEU  33  11.005   1.214  -8.018
  234   HD13  LEU  33          HD13      LEU  33   9.754   2.394  -7.625
  235   HD21  LEU  33          HD21      LEU  33  10.431   1.149 -11.009
  236   HD22  LEU  33          HD22      LEU  33   9.175  -0.087 -11.023
  237   HD23  LEU  33          HD23      LEU  33  10.635  -0.327 -10.063
  238    H    ARG  34           HN       ARG  34   8.383  -3.122  -8.706
  239    HA   ARG  34           HA       ARG  34   6.094  -4.256  -7.404
  240    HB2  ARG  34           HB2      ARG  34   8.845  -5.477  -7.488
  241    HB3  ARG  34           HB1      ARG  34   7.294  -6.296  -7.394
  242    HG2  ARG  34           HG2      ARG  34   6.801  -5.431  -9.693
  243    HG3  ARG  34           HG1      ARG  34   8.475  -4.874  -9.759
  244    HD2  ARG  34           HD2      ARG  34   8.250  -7.052 -10.813
  245    HD3  ARG  34           HD1      ARG  34   9.255  -7.153  -9.365
  246    HE   ARG  34           HE       ARG  34   6.408  -7.783  -9.093
  247   HH11  ARG  34          HH11      ARG  34   9.715  -8.913  -9.291
  248   HH12  ARG  34          HH12      ARG  34   9.359 -10.479  -8.647
  249   HH21  ARG  34          HH21      ARG  34   5.928  -9.815  -8.207
  250   HH22  ARG  34          HH22      ARG  34   7.206 -10.997  -8.003
  251    H    PHE  35           HN       PHE  35   5.847  -4.835  -5.248
  252    HA   PHE  35           HA       PHE  35   6.949  -3.228  -3.272
  253    HB2  PHE  35           HB2      PHE  35   5.689  -5.958  -3.072
  254    HB3  PHE  35           HB1      PHE  35   6.120  -4.994  -1.665
  255    HD1  PHE  35           HD2      PHE  35   5.221  -2.433  -1.943
  256    HD2  PHE  35           HD1      PHE  35   3.488  -5.922  -3.639
  257    HE1  PHE  35           HE2      PHE  35   3.043  -1.289  -2.051
  258    HE2  PHE  35           HE1      PHE  35   1.302  -4.794  -3.755
  259    HZ   PHE  35           HZ       PHE  35   1.080  -2.469  -2.962
  260    H    GLU  36           HN       GLU  36   7.797  -6.616  -3.961
  261    HA   GLU  36           HA       GLU  36   9.881  -6.746  -2.080
  262    HB2  GLU  36           HB2      GLU  36  10.585  -8.788  -3.428
  263    HB3  GLU  36           HB1      GLU  36   8.975  -8.794  -2.729
  264    HG2  GLU  36           HG2      GLU  36   8.554  -9.621  -4.812
  265    HG3  GLU  36           HG1      GLU  36   8.257  -7.907  -5.076
  266    H    ASP  37           HN       ASP  37   9.780  -5.351  -5.202
  267    HA   ASP  37           HA       ASP  37  12.635  -5.495  -5.639
  268    HB2  ASP  37           HB2      ASP  37  11.148  -5.659  -7.558
  269    HB3  ASP  37           HB1      ASP  37  10.431  -4.100  -7.169
  270    H    ILE  38           HN       ILE  38  10.307  -3.231  -4.349
  271    HA   ILE  38           HA       ILE  38  12.319  -1.122  -4.271
  272    HB   ILE  38           HB       ILE  38  10.506   0.247  -3.164
  273   HG12  ILE  38          HG12      ILE  38   8.745  -2.018  -4.116
  274   HG13  ILE  38          HG11      ILE  38   9.138  -1.707  -2.433
  275   HG21  ILE  38          HG21      ILE  38   9.338   0.646  -5.290
  276   HG22  ILE  38          HG22      ILE  38  10.024  -0.849  -5.928
  277   HG23  ILE  38          HG23      ILE  38  11.082   0.495  -5.497
  278   HD11  ILE  38          HD11      ILE  38   8.032   0.473  -2.590
  279   HD12  ILE  38          HD12      ILE  38   6.942  -0.857  -2.987
  280   HD13  ILE  38          HD13      ILE  38   7.629   0.132  -4.274
  281    H    GLY  39           HN       GLY  39  12.337  -3.676  -2.634
  282    HA2  GLY  39           HA2      GLY  39  13.554  -4.119  -0.730
  283    HA3  GLY  39           HA1      GLY  39  13.616  -2.394  -0.410
  284    H    TYR  40           HN       TYR  40  10.759  -4.497  -0.742
  285    HA   TYR  40           HA       TYR  40  10.266  -4.080   2.131
  286    HB2  TYR  40           HB2      TYR  40   8.303  -3.852  -0.147
  287    HB3  TYR  40           HB1      TYR  40   7.780  -4.156   1.505
  288    HD1  TYR  40           HD2      TYR  40   8.149  -2.455   3.253
  289    HD2  TYR  40           HD1      TYR  40   9.040  -1.687  -0.824
  290    HE1  TYR  40           HE2      TYR  40   8.208  -0.045   3.731
  291    HE2  TYR  40           HE1      TYR  40   9.103   0.724  -0.372
  292    HH   TYR  40           HH       TYR  40   8.164   2.299   1.306
  293    H    ASP  41           HN       ASP  41  10.470  -5.929   3.113
  294    HA   ASP  41           HA       ASP  41  10.126  -8.469   1.857
  295    HB2  ASP  41           HB2      ASP  41  10.402  -7.689   4.763
  296    HB3  ASP  41           HB1      ASP  41  10.287  -9.357   4.219
  297    H    SER  42           HN       SER  42   8.615 -10.116   2.652
  298    HA   SER  42           HA       SER  42   5.964  -9.450   2.354
  299    HB2  SER  42           HB2      SER  42   5.585 -11.698   3.556
  300    HB3  SER  42           HB1      SER  42   6.561 -11.707   2.082
  301    H    LEU  43           HN       LEU  43   7.759  -9.894   5.380
  302    HA   LEU  43           HA       LEU  43   5.637  -9.438   7.155
  303    HB2  LEU  43           HB2      LEU  43   7.783 -10.387   7.845
  304    HB3  LEU  43           HB1      LEU  43   8.579  -8.865   7.499
  305    HG   LEU  43           HG       LEU  43   7.197  -7.796   9.277
  306   HD11  LEU  43          HD11      LEU  43   6.062  -9.231  10.891
  307   HD12  LEU  43          HD12      LEU  43   6.404 -10.637   9.882
  308   HD13  LEU  43          HD13      LEU  43   5.341  -9.361   9.286
  309   HD21  LEU  43          HD21      LEU  43   8.884 -10.129  10.160
  310   HD22  LEU  43          HD22      LEU  43   8.447  -8.732  11.143
  311   HD23  LEU  43          HD23      LEU  43   9.478  -8.527   9.726
  312    H    ALA  44           HN       ALA  44   7.958  -7.186   5.690
  313    HA   ALA  44           HA       ALA  44   7.053  -4.879   7.045
  314    HB1  ALA  44           HB1      ALA  44   8.427  -5.095   4.367
  315    HB2  ALA  44           HB2      ALA  44   9.223  -4.961   5.939
  316    HB3  ALA  44           HB3      ALA  44   8.253  -3.623   5.322
  317    H    LEU  45           HN       LEU  45   5.988  -6.536   4.174
  318    HA   LEU  45           HA       LEU  45   4.399  -4.436   3.126
  319    HB2  LEU  45           HB2      LEU  45   5.258  -6.337   1.800
  320    HB3  LEU  45           HB1      LEU  45   4.168  -7.405   2.660
  321    HG   LEU  45           HG       LEU  45   2.241  -6.243   1.713
  322   HD11  LEU  45          HD11      LEU  45   2.533  -4.531  -0.003
  323   HD12  LEU  45          HD12      LEU  45   4.278  -4.569   0.247
  324   HD13  LEU  45          HD13      LEU  45   3.215  -4.007   1.538
  325   HD21  LEU  45          HD21      LEU  45   3.157  -8.125   0.482
  326   HD22  LEU  45          HD22      LEU  45   4.300  -7.062  -0.338
  327   HD23  LEU  45          HD23      LEU  45   2.572  -6.899  -0.643
  328    H    MET  46           HN       MET  46   3.637  -7.266   5.163
  329    HA   MET  46           HA       MET  46   0.854  -6.722   5.268
  330    HB2  MET  46           HB2      MET  46   0.748  -8.292   7.122
  331    HB3  MET  46           HB1      MET  46   1.763  -8.936   5.844
  332    HG2  MET  46           HG2      MET  46   3.750  -8.386   7.092
  333    HG3  MET  46           HG1      MET  46   2.784  -7.612   8.346
  334    HE1  MET  46           HE1      MET  46   0.911 -10.623   9.960
  335    HE2  MET  46           HE2      MET  46   0.314  -9.604   8.649
  336    HE3  MET  46           HE3      MET  46   1.196  -8.884   9.997
  337    H    GLU  47           HN       GLU  47   3.601  -5.568   7.071
  338    HA   GLU  47           HA       GLU  47   2.219  -4.234   9.133
  339    HB2  GLU  47           HB2      GLU  47   4.900  -3.754   7.840
  340    HB3  GLU  47           HB1      GLU  47   4.298  -2.747   9.150
  341    HG2  GLU  47           HG2      GLU  47   4.674  -5.724   9.309
  342    HG3  GLU  47           HG1      GLU  47   5.820  -4.523   9.905
  343    H    THR  48           HN       THR  48   3.169  -3.254   5.877
  344    HA   THR  48           HA       THR  48   2.327  -0.568   6.074
  345    HB   THR  48           HB       THR  48   2.394  -2.243   3.562
  346    HG1  THR  48           HG1      THR  48   4.401  -1.976   5.083
  347   HG21  THR  48          HG21      THR  48   1.311  -0.092   3.276
  348   HG22  THR  48          HG22      THR  48   2.894  -0.063   2.494
  349   HG23  THR  48          HG23      THR  48   2.661   0.722   4.060
  350    H    ALA  49           HN       ALA  49   0.669  -3.537   5.102
  351    HA   ALA  49           HA       ALA  49  -1.752  -2.445   4.242
  352    HB1  ALA  49           HB1      ALA  49  -2.737  -4.621   4.720
  353    HB2  ALA  49           HB2      ALA  49  -1.339  -5.049   5.705
  354    HB3  ALA  49           HB3      ALA  49  -1.152  -4.806   3.970
  355    H    ALA  50           HN       ALA  50  -0.689  -3.335   7.495
  356    HA   ALA  50           HA       ALA  50  -3.085  -2.810   8.858
  357    HB1  ALA  50           HB1      ALA  50  -1.672  -2.637  10.873
  358    HB2  ALA  50           HB2      ALA  50  -0.237  -2.642   9.847
  359    HB3  ALA  50           HB3      ALA  50  -1.289  -4.058   9.903
  360    H    ARG  51           HN       ARG  51  -0.433  -0.763   7.853
  361    HA   ARG  51           HA       ARG  51  -1.058   1.578   9.248
  362    HB2  ARG  51           HB2      ARG  51   0.293   1.086   6.601
  363    HB3  ARG  51           HB1      ARG  51   0.102   2.701   7.253
  364    HG2  ARG  51           HG2      ARG  51   1.518   0.449   8.652
  365    HG3  ARG  51           HG1      ARG  51   2.310   1.722   7.721
  366    HD2  ARG  51           HD2      ARG  51   1.661   3.392   9.223
  367    HD3  ARG  51           HD1      ARG  51   0.445   2.369   9.975
  368    HE   ARG  51           HE       ARG  51   3.305   1.759  10.270
  369   HH11  ARG  51          HH11      ARG  51   0.161   2.465  11.609
  370   HH12  ARG  51          HH12      ARG  51   0.639   2.210  13.251
  371   HH21  ARG  51          HH21      ARG  51   3.978   1.456  12.452
  372   HH22  ARG  51          HH22      ARG  51   2.818   1.640  13.736
  373    H    LEU  52           HN       LEU  52  -2.214   0.348   6.160
  374    HA   LEU  52           HA       LEU  52  -3.678   2.701   5.497
  375    HB2  LEU  52           HB2      LEU  52  -3.914  -0.111   4.434
  376    HB3  LEU  52           HB1      LEU  52  -4.646   1.311   3.710
  377    HG   LEU  52           HG       LEU  52  -1.677   0.819   4.001
  378   HD11  LEU  52          HD11      LEU  52  -3.458   0.736   1.573
  379   HD12  LEU  52          HD12      LEU  52  -2.705  -0.653   2.358
  380   HD13  LEU  52          HD13      LEU  52  -1.702   0.569   1.576
  381   HD21  LEU  52          HD21      LEU  52  -3.197   3.051   2.653
  382   HD22  LEU  52          HD22      LEU  52  -1.453   2.799   2.554
  383   HD23  LEU  52          HD23      LEU  52  -2.202   3.188   4.102
  384    H    GLU  53           HN       GLU  53  -4.602  -0.494   6.757
  385    HA   GLU  53           HA       GLU  53  -7.362  -0.003   6.831
  386    HB2  GLU  53           HB2      GLU  53  -5.702  -1.891   8.493
  387    HB3  GLU  53           HB1      GLU  53  -7.459  -1.860   8.507
  388    HG2  GLU  53           HG2      GLU  53  -7.331  -2.241   6.002
  389    HG3  GLU  53           HG1      GLU  53  -5.630  -2.626   6.259
  390    H    SER  54           HN       SER  54  -4.871   0.551   9.290
  391    HA   SER  54           HA       SER  54  -6.673   1.238  11.355
  392    HB2  SER  54           HB2      SER  54  -3.776   2.035  11.027
  393    HB3  SER  54           HB1      SER  54  -4.704   2.093  12.527
  394    HG   SER  54           HG       SER  54  -3.838  -0.162  11.057
  395    H    ARG  55           HN       ARG  55  -5.420   3.075   8.680
  396    HA   ARG  55           HA       ARG  55  -6.000   5.621   9.937
  397    HB2  ARG  55           HB2      ARG  55  -4.074   5.478   8.470
  398    HB3  ARG  55           HB1      ARG  55  -5.090   4.959   7.133
  399    HG2  ARG  55           HG2      ARG  55  -6.165   7.092   7.031
  400    HG3  ARG  55           HG1      ARG  55  -5.370   7.618   8.515
  401    HD2  ARG  55           HD2      ARG  55  -3.968   6.948   5.926
  402    HD3  ARG  55           HD1      ARG  55  -4.331   8.577   6.498
  403    HE   ARG  55           HE       ARG  55  -2.905   7.304   8.517
  404   HH11  ARG  55          HH11      ARG  55  -2.385   8.507   5.264
  405   HH12  ARG  55          HH12      ARG  55  -0.663   8.605   5.450
  406   HH21  ARG  55          HH21      ARG  55  -0.637   7.477   8.760
  407   HH22  ARG  55          HH22      ARG  55   0.340   8.036   7.433
  408    H    TYR  56           HN       TYR  56  -7.341   3.663   7.292
  409    HA   TYR  56           HA       TYR  56  -9.457   5.652   6.958
  410    HB2  TYR  56           HB2      TYR  56  -8.705   3.236   5.316
  411    HB3  TYR  56           HB1      TYR  56 -10.073   4.283   4.957
  412    HD1  TYR  56           HD2      TYR  56  -9.682   6.628   4.259
  413    HD2  TYR  56           HD1      TYR  56  -6.465   3.887   4.764
  414    HE1  TYR  56           HE2      TYR  56  -8.216   8.115   2.959
  415    HE2  TYR  56           HE1      TYR  56  -4.990   5.364   3.465
  416    HH   TYR  56           HH       TYR  56  -5.764   8.558   2.706
  417    H    GLY  57           HN       GLY  57  -8.965   2.597   8.446
  418    HA2  GLY  57           HA2      GLY  57 -10.421   1.299   9.674
  419    HA3  GLY  57           HA1      GLY  57 -11.677   2.488   9.360
  420    H    VAL  58           HN       VAL  58  -9.771   0.659   7.023
  421    HA   VAL  58           HA       VAL  58 -12.286  -0.176   5.786
  422    HB   VAL  58           HB       VAL  58 -10.911  -0.732   3.797
  423   HG11  VAL  58          HG11      VAL  58 -10.369   1.576   3.168
  424   HG12  VAL  58          HG12      VAL  58 -10.552   2.068   4.853
  425   HG13  VAL  58          HG13      VAL  58 -11.944   1.458   3.955
  426   HG21  VAL  58          HG21      VAL  58  -8.806  -1.235   4.948
  427   HG22  VAL  58          HG22      VAL  58  -8.644   0.462   5.397
  428   HG23  VAL  58          HG23      VAL  58  -8.572  -0.010   3.700
  429    H    SER  59           HN       SER  59 -11.788  -2.340   4.421
  430    HA   SER  59           HA       SER  59 -10.574  -4.296   6.233
  431    HB2  SER  59           HB2      SER  59 -12.481  -5.853   5.493
  432    HB3  SER  59           HB1      SER  59 -12.882  -4.589   6.655
  433    HG   SER  59           HG       SER  59 -13.794  -4.978   4.104
  434    H    ILE  60           HN       ILE  60  -8.839  -4.928   5.127
  435    HA   ILE  60           HA       ILE  60  -8.990  -5.306   2.238
  436    HB   ILE  60           HB       ILE  60  -6.659  -5.677   4.136
  437   HG12  ILE  60          HG12      ILE  60  -7.266  -3.428   2.195
  438   HG13  ILE  60          HG11      ILE  60  -7.442  -3.333   3.944
  439   HG21  ILE  60          HG21      ILE  60  -6.725  -5.646   1.120
  440   HG22  ILE  60          HG22      ILE  60  -6.452  -7.060   2.136
  441   HG23  ILE  60          HG23      ILE  60  -5.276  -5.745   2.120
  442   HD11  ILE  60          HD11      ILE  60  -5.388  -2.272   3.178
  443   HD12  ILE  60          HD12      ILE  60  -4.859  -3.800   2.474
  444   HD13  ILE  60          HD13      ILE  60  -5.052  -3.655   4.220
  445    HA   PRO  61           HA       PRO  61 -10.038  -9.627   3.091
  446    HB2  PRO  61           HB2      PRO  61 -10.215  -9.793   0.166
  447    HB3  PRO  61           HB1      PRO  61 -11.465 -10.078   1.378
  448    HG2  PRO  61           HG2      PRO  61 -11.509  -7.925  -0.242
  449    HG3  PRO  61           HG1      PRO  61 -12.117  -7.869   1.425
  450    HD2  PRO  61           HD2      PRO  61  -9.493  -6.900   0.325
  451    HD3  PRO  61           HD1      PRO  61 -10.565  -6.135   1.518
  452    H    ASP  62           HN       ASP  62  -8.446 -11.020   3.480
  453    HA   ASP  62           HA       ASP  62  -5.871 -10.771   2.343
  454    HB2  ASP  62           HB2      ASP  62  -5.268 -12.725   3.660
  455    HB3  ASP  62           HB1      ASP  62  -6.248 -11.626   4.624
  456    H    ASP  63           HN       ASP  63  -8.592 -12.105   1.011
  457    HA   ASP  63           HA       ASP  63  -7.468 -14.347  -0.351
  458    HB2  ASP  63           HB2      ASP  63  -9.907 -12.661  -0.963
  459    HB3  ASP  63           HB1      ASP  63  -9.467 -14.113  -1.854
  460    H    VAL  64           HN       VAL  64  -8.642 -11.274  -1.694
  461    HA   VAL  64           HA       VAL  64  -7.088 -11.601  -4.076
  462    HB   VAL  64           HB       VAL  64  -8.588  -9.133  -3.193
  463   HG11  VAL  64          HG11      VAL  64  -7.049  -8.831  -5.091
  464   HG12  VAL  64          HG12      VAL  64  -8.738  -8.644  -5.565
  465   HG13  VAL  64          HG13      VAL  64  -7.874 -10.133  -5.948
  466   HG21  VAL  64          HG21      VAL  64 -10.494 -10.007  -4.465
  467   HG22  VAL  64          HG22      VAL  64 -10.084 -11.056  -3.109
  468   HG23  VAL  64          HG23      VAL  64  -9.614 -11.509  -4.747
  469    H    ALA  65           HN       ALA  65  -6.516 -10.238  -1.008
  470    HA   ALA  65           HA       ALA  65  -4.758  -8.151  -1.635
  471    HB1  ALA  65           HB1      ALA  65  -4.706  -9.926   0.795
  472    HB2  ALA  65           HB2      ALA  65  -5.724  -8.500   0.595
  473    HB3  ALA  65           HB3      ALA  65  -3.968  -8.329   0.646
  474    H    GLY  66           HN       GLY  66  -4.282 -11.599  -1.431
  475    HA2  GLY  66           HA2      GLY  66  -1.397 -11.392  -1.565
  476    HA3  GLY  66           HA1      GLY  66  -2.342 -12.874  -1.598
  477    H    ARG  67           HN       ARG  67  -2.995 -10.225  -3.782
  478    HA   ARG  67           HA       ARG  67  -1.671 -11.667  -5.963
  479    HB2  ARG  67           HB2      ARG  67  -4.542 -10.717  -6.017
  480    HB3  ARG  67           HB1      ARG  67  -3.664 -11.369  -7.396
  481    HG2  ARG  67           HG2      ARG  67  -3.421 -13.505  -6.228
  482    HG3  ARG  67           HG1      ARG  67  -4.321 -12.855  -4.856
  483    HD2  ARG  67           HD2      ARG  67  -5.752 -14.207  -6.311
  484    HD3  ARG  67           HD1      ARG  67  -6.270 -12.520  -6.280
  485    HE   ARG  67           HE       ARG  67  -4.609 -13.595  -8.473
  486   HH11  ARG  67          HH11      ARG  67  -7.484 -11.960  -7.338
  487   HH12  ARG  67          HH12      ARG  67  -7.977 -11.435  -8.915
  488   HH21  ARG  67          HH21      ARG  67  -5.236 -12.908 -10.546
  489   HH22  ARG  67          HH22      ARG  67  -6.674 -11.946 -10.743
  490    H    VAL  68           HN       VAL  68  -1.879  -8.873  -4.339
  491    HA   VAL  68           HA       VAL  68  -1.713  -7.137  -6.684
  492    HB   VAL  68           HB       VAL  68  -1.570  -5.263  -5.020
  493   HG11  VAL  68          HG11      VAL  68  -3.954  -5.373  -4.422
  494   HG12  VAL  68          HG12      VAL  68  -3.968  -7.082  -4.856
  495   HG13  VAL  68          HG13      VAL  68  -3.661  -5.862  -6.091
  496   HG21  VAL  68          HG21      VAL  68  -2.283  -5.743  -2.706
  497   HG22  VAL  68          HG22      VAL  68  -0.720  -6.462  -3.095
  498   HG23  VAL  68          HG23      VAL  68  -2.168  -7.468  -3.051
  499    H    ASP  69           HN       ASP  69   0.162  -6.975  -7.635
  500    HA   ASP  69           HA       ASP  69   2.597  -7.635  -6.183
  501    HB2  ASP  69           HB2      ASP  69   2.076  -8.649  -8.410
  502    HB3  ASP  69           HB1      ASP  69   2.222  -7.051  -9.132
  503    H    THR  70           HN       THR  70   1.173  -4.924  -7.905
  504    HA   THR  70           HA       THR  70   3.420  -3.235  -7.034
  505    HB   THR  70           HB       THR  70   2.758  -1.701  -8.893
  506    HG1  THR  70           HG1      THR  70   1.304  -3.784 -10.098
  507   HG21  THR  70          HG21      THR  70   4.588  -3.298  -9.208
  508   HG22  THR  70          HG22      THR  70   3.682  -3.079 -10.705
  509   HG23  THR  70          HG23      THR  70   3.433  -4.526  -9.732
  510    HA   PRO  71           HA       PRO  71   0.747  -0.763  -4.463
  511    HB2  PRO  71           HB2      PRO  71   2.109   1.520  -5.815
  512    HB3  PRO  71           HB1      PRO  71   1.870   1.222  -4.090
  513    HG2  PRO  71           HG2      PRO  71   4.242   0.802  -5.179
  514    HG3  PRO  71           HG1      PRO  71   3.591  -0.360  -4.006
  515    HD2  PRO  71           HD2      PRO  71   3.733  -0.561  -6.992
  516    HD3  PRO  71           HD1      PRO  71   4.007  -1.815  -5.765
  517    H    ARG  72           HN       ARG  72   1.061  -0.069  -7.911
  518    HA   ARG  72           HA       ARG  72  -1.110   1.623  -8.303
  519    HB2  ARG  72           HB2      ARG  72   0.450   0.983 -10.096
  520    HB3  ARG  72           HB1      ARG  72  -0.194  -0.653 -10.080
  521    HG2  ARG  72           HG2      ARG  72  -2.418   0.297 -10.670
  522    HG3  ARG  72           HG1      ARG  72  -1.635   1.864 -10.874
  523    HD2  ARG  72           HD2      ARG  72  -0.838  -0.632 -12.359
  524    HD3  ARG  72           HD1      ARG  72  -1.980   0.556 -12.975
  525    HE   ARG  72           HE       ARG  72   0.650   1.567 -12.226
  526   HH11  ARG  72          HH11      ARG  72  -1.486   0.438 -14.771
  527   HH12  ARG  72          HH12      ARG  72  -0.573   1.174 -16.051
  528   HH21  ARG  72          HH21      ARG  72   1.872   2.513 -13.892
  529   HH22  ARG  72          HH22      ARG  72   1.352   2.351 -15.549
  530    H    GLU  73           HN       GLU  73  -1.072  -1.918  -8.500
  531    HA   GLU  73           HA       GLU  73  -3.855  -2.268  -8.689
  532    HB2  GLU  73           HB2      GLU  73  -1.723  -4.132  -7.626
  533    HB3  GLU  73           HB1      GLU  73  -3.374  -4.612  -7.983
  534    HG2  GLU  73           HG2      GLU  73  -1.403  -3.536  -9.982
  535    HG3  GLU  73           HG1      GLU  73  -1.811  -5.234  -9.756
  536    H    LEU  74           HN       LEU  74  -1.663  -2.199  -5.931
  537    HA   LEU  74           HA       LEU  74  -3.413  -2.943  -3.897
  538    HB2  LEU  74           HB2      LEU  74  -0.886  -2.530  -3.841
  539    HB3  LEU  74           HB1      LEU  74  -1.269  -0.836  -3.633
  540    HG   LEU  74           HG       LEU  74  -0.687  -2.125  -1.540
  541   HD11  LEU  74          HD11      LEU  74  -1.767   0.027  -1.399
  542   HD12  LEU  74          HD12      LEU  74  -2.437  -1.060  -0.181
  543   HD13  LEU  74          HD13      LEU  74  -3.344  -0.720  -1.654
  544   HD21  LEU  74          HD21      LEU  74  -2.443  -3.481  -0.529
  545   HD22  LEU  74          HD22      LEU  74  -1.898  -4.172  -2.059
  546   HD23  LEU  74          HD23      LEU  74  -3.427  -3.295  -1.982
  547    H    LEU  75           HN       LEU  75  -2.618   0.342  -5.008
  548    HA   LEU  75           HA       LEU  75  -4.445   1.721  -3.403
  549    HB2  LEU  75           HB2      LEU  75  -2.590   2.781  -4.618
  550    HB3  LEU  75           HB1      LEU  75  -3.394   2.451  -6.139
  551    HG   LEU  75           HG       LEU  75  -5.251   3.949  -5.445
  552   HD11  LEU  75          HD11      LEU  75  -3.448   4.591  -3.117
  553   HD12  LEU  75          HD12      LEU  75  -4.991   3.743  -3.029
  554   HD13  LEU  75          HD13      LEU  75  -4.940   5.430  -3.539
  555   HD21  LEU  75          HD21      LEU  75  -3.456   4.775  -6.853
  556   HD22  LEU  75          HD22      LEU  75  -2.493   5.168  -5.428
  557   HD23  LEU  75          HD23      LEU  75  -3.998   6.032  -5.741
  558    H    ASP  76           HN       ASP  76  -4.772   0.635  -6.773
  559    HA   ASP  76           HA       ASP  76  -7.334   1.691  -7.212
  560    HB2  ASP  76           HB2      ASP  76  -5.746   0.969  -8.986
  561    HB3  ASP  76           HB1      ASP  76  -6.080  -0.706  -8.561
  562    H    LEU  77           HN       LEU  77  -6.287  -1.412  -5.933
  563    HA   LEU  77           HA       LEU  77  -8.755  -2.752  -6.001
  564    HB2  LEU  77           HB2      LEU  77  -6.510  -3.767  -5.555
  565    HB3  LEU  77           HB1      LEU  77  -6.541  -3.048  -3.962
  566    HG   LEU  77           HG       LEU  77  -7.117  -5.517  -4.137
  567   HD11  LEU  77          HD11      LEU  77  -9.073  -3.670  -2.786
  568   HD12  LEU  77          HD12      LEU  77  -7.558  -4.277  -2.117
  569   HD13  LEU  77          HD13      LEU  77  -8.887  -5.390  -2.443
  570   HD21  LEU  77          HD21      LEU  77  -9.445  -6.048  -4.693
  571   HD22  LEU  77          HD22      LEU  77  -8.551  -5.433  -6.083
  572   HD23  LEU  77          HD23      LEU  77  -9.686  -4.387  -5.229
  573    H    ILE  78           HN       ILE  78  -7.232  -0.829  -3.427
  574    HA   ILE  78           HA       ILE  78  -9.422  -1.109  -1.640
  575    HB   ILE  78           HB       ILE  78  -7.175   0.910  -1.643
  576   HG12  ILE  78          HG12      ILE  78  -7.505  -1.679  -0.111
  577   HG13  ILE  78          HG11      ILE  78  -6.498  -1.484  -1.542
  578   HG21  ILE  78          HG21      ILE  78  -9.083   1.667  -0.302
  579   HG22  ILE  78          HG22      ILE  78  -7.712   1.243   0.721
  580   HG23  ILE  78          HG23      ILE  78  -9.074   0.135   0.572
  581   HD11  ILE  78          HD11      ILE  78  -6.114  -0.060   1.080
  582   HD12  ILE  78          HD12      ILE  78  -5.095   0.097  -0.354
  583   HD13  ILE  78          HD13      ILE  78  -5.188  -1.445   0.500
  584    H    ASN  79           HN       ASN  79  -8.461   1.359  -3.995
  585    HA   ASN  79           HA       ASN  79 -10.454   3.244  -3.386
  586    HB2  ASN  79           HB2      ASN  79  -8.989   2.628  -5.947
  587    HB3  ASN  79           HB1      ASN  79 -10.218   3.882  -5.866
  588   HD21  ASN  79          HD21      ASN  79  -9.452   4.543  -3.077
  589   HD22  ASN  79          HD22      ASN  79  -7.991   5.459  -3.221
  590    H    GLY  80           HN       GLY  80 -10.492   0.441  -5.565
  591    HA2  GLY  80           HA2      GLY  80 -13.040   0.862  -6.673
  592    HA3  GLY  80           HA1      GLY  80 -12.221  -0.688  -6.551
  593    H    ALA  81           HN       ALA  81 -12.048  -0.757  -3.716
  594    HA   ALA  81           HA       ALA  81 -14.598  -1.854  -3.099
  595    HB1  ALA  81           HB1      ALA  81 -13.659  -2.295  -0.891
  596    HB2  ALA  81           HB2      ALA  81 -12.288  -1.245  -1.249
  597    HB3  ALA  81           HB3      ALA  81 -12.513  -2.741  -2.155
  598    H    LEU  82           HN       LEU  82 -12.890   1.073  -2.078
  599    HA   LEU  82           HA       LEU  82 -14.914   1.914  -0.266
  600    HB2  LEU  82           HB2      LEU  82 -12.651   3.401  -1.581
  601    HB3  LEU  82           HB1      LEU  82 -13.702   4.106  -0.369
  602    HG   LEU  82           HG       LEU  82 -11.869   1.743   0.044
  603   HD11  LEU  82          HD11      LEU  82 -11.744   4.580   1.062
  604   HD12  LEU  82          HD12      LEU  82 -10.660   3.847  -0.121
  605   HD13  LEU  82          HD13      LEU  82 -10.667   3.268   1.545
  606   HD21  LEU  82          HD21      LEU  82 -12.540   1.888   2.383
  607   HD22  LEU  82          HD22      LEU  82 -13.931   1.562   1.348
  608   HD23  LEU  82          HD23      LEU  82 -13.667   3.184   1.988
  609    H    ALA  83           HN       ALA  83 -14.341   2.422  -3.664
  610    HA   ALA  83           HA       ALA  83 -15.922   4.718  -4.037
  611    HB1  ALA  83           HB1      ALA  83 -15.359   2.526  -6.025
  612    HB2  ALA  83           HB2      ALA  83 -14.292   3.885  -5.677
  613    HB3  ALA  83           HB3      ALA  83 -15.876   4.173  -6.395
  614    H    GLU  84           HN       GLU  84 -16.802   1.434  -3.531
  615    HA   GLU  84           HA       GLU  84 -19.399   1.610  -4.742
  616    HB2  GLU  84           HB2      GLU  84 -18.114  -0.515  -4.507
  617    HB3  GLU  84           HB1      GLU  84 -18.348  -0.429  -2.767
  618    HG2  GLU  84           HG2      GLU  84 -19.923  -1.966  -3.728
  619    HG3  GLU  84           HG1      GLU  84 -20.777  -0.550  -3.114
  620    H    ALA  85           HN       ALA  85 -18.054   2.579  -1.741
  621    HA   ALA  85           HA       ALA  85 -20.772   2.877  -0.631
  622    HB1  ALA  85           HB1      ALA  85 -19.870   2.480   1.596
  623    HB2  ALA  85           HB2      ALA  85 -18.264   2.226   0.912
  624    HB3  ALA  85           HB3      ALA  85 -19.572   1.105   0.535
  625    H    ALA  86           HN       ALA  86 -18.323   4.561  -1.903
  626    HA   ALA  86           HA       ALA  86 -18.381   6.742   0.042
  627    HB1  ALA  86           HB1      ALA  86 -16.573   7.725  -1.292
  628    HB2  ALA  86           HB2      ALA  86 -16.696   6.391  -2.439
  629    HB3  ALA  86           HB3      ALA  86 -16.182   6.083  -0.779
  630    H28  SXO  87          H28B      SXO  87   6.272 -12.330   5.952
  631   H28A  SXO  87          H28A      SXO  87   7.259 -13.614   6.648
  632    H30  SXO  87          H30A      SXO  87   5.559 -12.986   8.566
  633   H30A  SXO  87          H30C      SXO  87   4.631 -12.030   7.410
  634   H30B  SXO  87          H30B      SXO  87   3.852 -13.339   8.299
  635    H31  SXO  87          H31A      SXO  87   4.318 -14.695   4.879
  636   H31A  SXO  87          H31B      SXO  87   3.735 -13.106   5.369
  637   H31B  SXO  87          H31C      SXO  87   3.146 -14.548   6.193
  638    H32  SXO  87          H32A      SXO  87   6.148 -15.301   8.133
  639   HO33  SXO  87          H33A      SXO  87   5.395 -16.575   5.719
  640   HN36  SXO  87          H36A      SXO  87   3.877 -14.690   9.135
  641    H37  SXO  87          H37A      SXO  87   2.055 -17.005   8.883
  642   H37A  SXO  87          H37B      SXO  87   2.456 -16.222  10.409
  643    H38  SXO  87          H38B      SXO  87   1.415 -14.125   9.508
  644   H38A  SXO  87          H38A      SXO  87   0.298 -15.464   9.777
  645   HN41  SXO  87          H41A      SXO  87  -0.192 -13.262   8.145
  646    H42  SXO  87          H42A      SXO  87   0.093 -14.041   5.364
  647   H42A  SXO  87          H42B      SXO  87  -1.541 -14.122   6.023
  648    H43  SXO  87          H43B      SXO  87  -1.410 -11.739   6.614
  649   H43A  SXO  87          H43A      SXO  87   0.212 -11.666   5.905
  650    H2   SXO  87           H2A      SXO  87  -2.037  -8.434   3.215
  651    H2A  SXO  87           H2B      SXO  87  -3.191  -9.762   3.104
  652    H3   SXO  87           H3B      SXO  87  -1.550 -11.035   1.771
  653    H3A  SXO  87           H3A      SXO  87  -2.037  -9.522   1.006
  654    H4   SXO  87           H4A      SXO  87   0.396  -9.970   0.855
  655    H4A  SXO  87           H4B      SXO  87   0.486  -9.900   2.614
  656    H5   SXO  87           H5B      SXO  87  -0.366  -7.587   2.540
  657    H5A  SXO  87           H5A      SXO  87   1.163  -7.778   1.680
  658    H6   SXO  87           H6A      SXO  87  -1.591  -7.639   0.448
  659    H6A  SXO  87           H6B      SXO  87  -0.107  -7.966  -0.444
  660    H7   SXO  87           H7A      SXO  87  -0.723  -5.620  -0.653
  661    H7A  SXO  87           H7B      SXO  87   0.781  -5.774   0.267
  662    H8   SXO  87           H8C      SXO  87  -0.489  -5.551   2.349
  663    H8A  SXO  87           H8A      SXO  87  -1.979  -5.379   1.421
  664    H8B  SXO  87           H8B      SXO  87  -0.716  -4.153   1.298
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1 -11.540  11.479  -6.998
    2    H2   MET   1           HT2      MET   1 -11.061  12.865  -6.144
    3    H3   MET   1           HT3      MET   1 -11.634  13.006  -7.730
    4    HA   MET   1           HA       MET   1 -13.301  13.711  -6.161
    5    HB2  MET   1           HB2      MET   1 -13.984  12.636  -8.276
    6    HB3  MET   1           HB1      MET   1 -13.979  11.068  -7.476
    7    HG2  MET   1           HG2      MET   1 -15.764  11.804  -5.994
    8    HG3  MET   1           HG1      MET   1 -15.750  13.394  -6.750
    9    HE1  MET   1           HE1      MET   1 -19.137  11.859  -7.992
   10    HE2  MET   1           HE2      MET   1 -18.370  13.213  -7.163
   11    HE3  MET   1           HE3      MET   1 -18.388  11.613  -6.416
   12    H    ALA   2           HN       ALA   2 -13.914  13.642  -4.145
   13    HA   ALA   2           HA       ALA   2 -14.523  12.938  -2.079
   14    HB1  ALA   2           HB1      ALA   2 -15.770  11.135  -3.173
   15    HB2  ALA   2           HB2      ALA   2 -15.077  10.618  -1.636
   16    HB3  ALA   2           HB3      ALA   2 -14.323  10.125  -3.152
   17    H    THR   3           HN       THR   3 -13.677  11.697  -0.170
   18    HA   THR   3           HA       THR   3 -10.796  11.940  -0.119
   19    HB   THR   3           HB       THR   3 -11.150  11.425   2.348
   20    HG1  THR   3           HG1      THR   3 -13.208  10.385   2.054
   21   HG21  THR   3          HG21      THR   3 -10.940  13.724   1.465
   22   HG22  THR   3          HG22      THR   3 -12.033  13.635   2.847
   23   HG23  THR   3          HG23      THR   3 -12.687  13.764   1.215
   24    H    LEU   4           HN       LEU   4  -9.667  10.238  -0.823
   25    HA   LEU   4           HA       LEU   4 -10.407   7.554   0.096
   26    HB2  LEU   4           HB2      LEU   4  -9.668   8.219  -2.762
   27    HB3  LEU   4           HB1      LEU   4 -10.039   6.630  -2.131
   28    HG   LEU   4           HG       LEU   4 -12.023   8.902  -2.314
   29   HD11  LEU   4          HD11      LEU   4 -13.001   7.618  -4.159
   30   HD12  LEU   4          HD12      LEU   4 -11.662   6.475  -4.069
   31   HD13  LEU   4          HD13      LEU   4 -11.362   8.151  -4.532
   32   HD21  LEU   4          HD21      LEU   4 -12.559   7.343  -0.537
   33   HD22  LEU   4          HD22      LEU   4 -12.364   5.983  -1.646
   34   HD23  LEU   4          HD23      LEU   4 -13.677   7.135  -1.886
   35    H    LEU   5           HN       LEU   5  -8.513   6.044  -0.893
   36    HA   LEU   5           HA       LEU   5  -6.068   7.033   0.284
   37    HB2  LEU   5           HB2      LEU   5  -7.166   4.591   0.188
   38    HB3  LEU   5           HB1      LEU   5  -6.194   4.482  -1.262
   39    HG   LEU   5           HG       LEU   5  -5.133   5.029   1.512
   40   HD11  LEU   5          HD11      LEU   5  -5.037   2.560  -0.210
   41   HD12  LEU   5          HD12      LEU   5  -5.923   2.758   1.303
   42   HD13  LEU   5          HD13      LEU   5  -4.160   2.778   1.303
   43   HD21  LEU   5          HD21      LEU   5  -2.927   4.670   0.496
   44   HD22  LEU   5          HD22      LEU   5  -3.740   6.088  -0.162
   45   HD23  LEU   5          HD23      LEU   5  -3.686   4.593  -1.096
   46    H    THR   6           HN       THR   6  -4.497   8.064  -0.864
   47    HA   THR   6           HA       THR   6  -4.572   7.787  -3.796
   48    HB   THR   6           HB       THR   6  -3.940  10.111  -4.044
   49    HG1  THR   6           HG1      THR   6  -4.231  10.432  -1.217
   50   HG21  THR   6          HG21      THR   6  -6.303   9.792  -2.187
   51   HG22  THR   6          HG22      THR   6  -6.323   9.633  -3.944
   52   HG23  THR   6          HG23      THR   6  -5.982  11.196  -3.204
   53    H    THR   7           HN       THR   7  -2.429   8.954  -4.666
   54    HA   THR   7           HA       THR   7  -0.282   7.267  -4.141
   55    HB   THR   7           HB       THR   7  -0.112  10.061  -5.278
   56    HG1  THR   7           HG1      THR   7  -0.534   9.019  -7.291
   57   HG21  THR   7          HG21      THR   7   2.051   9.021  -4.845
   58   HG22  THR   7          HG22      THR   7   1.754   9.136  -6.580
   59   HG23  THR   7          HG23      THR   7   1.559   7.590  -5.750
   60    H    ASP   8           HN       ASP   8  -0.700  10.684  -3.213
   61    HA   ASP   8           HA       ASP   8   1.692  10.894  -1.742
   62    HB2  ASP   8           HB2      ASP   8   0.469  12.850  -2.573
   63    HB3  ASP   8           HB1      ASP   8  -0.861  12.493  -1.476
   64    H    ASP   9           HN       ASP   9  -1.565   9.948  -0.813
   65    HA   ASP   9           HA       ASP   9  -1.126   9.861   1.980
   66    HB2  ASP   9           HB2      ASP   9  -3.091   8.479   0.171
   67    HB3  ASP   9           HB1      ASP   9  -3.049   8.154   1.901
   68    H    LEU  10           HN       LEU  10  -0.841   7.388  -0.551
   69    HA   LEU  10           HA       LEU  10  -0.104   5.249   1.126
   70    HB2  LEU  10           HB2      LEU  10  -0.825   5.041  -1.240
   71    HB3  LEU  10           HB1      LEU  10   0.692   5.761  -1.743
   72    HG   LEU  10           HG       LEU  10   1.888   3.826  -0.697
   73   HD11  LEU  10          HD11      LEU  10   0.167   3.161   0.891
   74   HD12  LEU  10          HD12      LEU  10   0.580   1.821  -0.180
   75   HD13  LEU  10          HD13      LEU  10  -0.909   2.730  -0.438
   76   HD21  LEU  10          HD21      LEU  10   1.390   2.281  -2.496
   77   HD22  LEU  10          HD22      LEU  10   1.387   3.936  -3.106
   78   HD23  LEU  10          HD23      LEU  10  -0.137   3.102  -2.810
   79    H    ARG  11           HN       ARG  11   1.718   7.788  -0.448
   80    HA   ARG  11           HA       ARG  11   4.335   6.998  -0.014
   81    HB2  ARG  11           HB2      ARG  11   3.788   8.912  -1.365
   82    HB3  ARG  11           HB1      ARG  11   3.075   9.741   0.006
   83    HG2  ARG  11           HG2      ARG  11   5.291   9.886   1.050
   84    HG3  ARG  11           HG1      ARG  11   5.989   9.098  -0.366
   85    HD2  ARG  11           HD2      ARG  11   4.431  11.681  -0.456
   86    HD3  ARG  11           HD1      ARG  11   6.190  11.590  -0.377
   87    HE   ARG  11           HE       ARG  11   5.919  10.243  -2.540
   88   HH11  ARG  11          HH11      ARG  11   3.691  12.791  -1.597
   89   HH12  ARG  11          HH12      ARG  11   3.413  13.310  -3.228
   90   HH21  ARG  11          HH21      ARG  11   5.527  10.916  -4.684
   91   HH22  ARG  11          HH22      ARG  11   4.443  12.251  -4.986
   92    H    ARG  12           HN       ARG  12   1.992   8.121   2.300
   93    HA   ARG  12           HA       ARG  12   3.947   8.798   4.308
   94    HB2  ARG  12           HB2      ARG  12   0.959   8.450   4.557
   95    HB3  ARG  12           HB1      ARG  12   2.016   9.162   5.768
   96    HG2  ARG  12           HG2      ARG  12   1.704  10.277   2.994
   97    HG3  ARG  12           HG1      ARG  12   0.709  10.782   4.359
   98    HD2  ARG  12           HD2      ARG  12   2.538  12.337   4.030
   99    HD3  ARG  12           HD1      ARG  12   2.740  11.482   5.557
  100    HE   ARG  12           HE       ARG  12   4.319  10.015   4.160
  101   HH11  ARG  12          HH11      ARG  12   3.811  13.435   3.657
  102   HH12  ARG  12          HH12      ARG  12   5.413  13.715   3.028
  103   HH21  ARG  12          HH21      ARG  12   6.434  10.366   3.372
  104   HH22  ARG  12          HH22      ARG  12   6.927  11.965   2.901
  105    H    ALA  13           HN       ALA  13   1.753   6.089   3.686
  106    HA   ALA  13           HA       ALA  13   2.004   4.897   6.225
  107    HB1  ALA  13           HB1      ALA  13   1.249   3.566   3.635
  108    HB2  ALA  13           HB2      ALA  13   0.148   4.466   4.680
  109    HB3  ALA  13           HB3      ALA  13   0.902   2.981   5.262
  110    H    LEU  14           HN       LEU  14   3.813   4.399   3.227
  111    HA   LEU  14           HA       LEU  14   5.262   2.130   4.070
  112    HB2  LEU  14           HB2      LEU  14   5.767   4.247   2.006
  113    HB3  LEU  14           HB1      LEU  14   6.996   3.053   2.360
  114    HG   LEU  14           HG       LEU  14   5.799   2.349   0.420
  115   HD11  LEU  14          HD11      LEU  14   4.955   0.174   1.133
  116   HD12  LEU  14          HD12      LEU  14   4.906   0.739   2.803
  117   HD13  LEU  14          HD13      LEU  14   6.451   0.594   1.968
  118   HD21  LEU  14          HD21      LEU  14   3.395   1.943   0.411
  119   HD22  LEU  14          HD22      LEU  14   3.759   3.639   0.737
  120   HD23  LEU  14          HD23      LEU  14   3.277   2.570   2.054
  121    H    VAL  15           HN       VAL  15   5.695   5.543   4.605
  122    HA   VAL  15           HA       VAL  15   8.366   5.291   5.633
  123    HB   VAL  15           HB       VAL  15   6.412   7.599   5.687
  124   HG11  VAL  15          HG11      VAL  15   7.975   7.819   7.526
  125   HG12  VAL  15          HG12      VAL  15   8.339   9.002   6.269
  126   HG13  VAL  15          HG13      VAL  15   9.333   7.554   6.431
  127   HG21  VAL  15          HG21      VAL  15   8.828   7.082   3.951
  128   HG22  VAL  15          HG22      VAL  15   7.829   8.535   3.919
  129   HG23  VAL  15          HG23      VAL  15   7.142   6.983   3.439
  130    H    GLU  16           HN       GLU  16   5.104   5.567   6.968
  131    HA   GLU  16           HA       GLU  16   5.725   5.967   9.651
  132    HB2  GLU  16           HB2      GLU  16   3.483   4.309   8.497
  133    HB3  GLU  16           HB1      GLU  16   3.578   4.855  10.161
  134    HG2  GLU  16           HG2      GLU  16   3.506   7.192   9.337
  135    HG3  GLU  16           HG1      GLU  16   3.246   6.561   7.707
  136    H    SER  17           HN       SER  17   5.468   2.968   7.815
  137    HA   SER  17           HA       SER  17   5.874   1.369  10.193
  138    HB2  SER  17           HB2      SER  17   5.618  -0.522   8.430
  139    HB3  SER  17           HB1      SER  17   4.214   0.468   8.829
  140    HG   SER  17           HG       SER  17   4.475   1.605   6.936
  141    H    ALA  18           HN       ALA  18   7.662   2.118   7.213
  142    HA   ALA  18           HA       ALA  18   9.813   0.360   8.208
  143    HB1  ALA  18           HB1      ALA  18  10.324  -0.263   5.949
  144    HB2  ALA  18           HB2      ALA  18   9.089   0.834   5.328
  145    HB3  ALA  18           HB3      ALA  18   8.620  -0.580   6.277
  146    H    GLY  19           HN       GLY  19   9.284   3.064   5.933
  147    HA2  GLY  19           HA2      GLY  19  12.122   3.557   5.828
  148    HA3  GLY  19           HA1      GLY  19  10.878   4.419   4.947
  149    H    GLU  20           HN       GLU  20  11.802   4.011   8.387
  150    HA   GLU  20           HA       GLU  20  11.160   6.775   8.907
  151    HB2  GLU  20           HB2      GLU  20  10.832   5.080  10.671
  152    HB3  GLU  20           HB1      GLU  20  12.566   4.777  10.694
  153    HG2  GLU  20           HG2      GLU  20  12.887   7.193  11.275
  154    HG3  GLU  20           HG1      GLU  20  11.142   7.310  11.468
  155    H    THR  21           HN       THR  21  12.449   8.124   7.823
  156    HA   THR  21           HA       THR  21  14.260   9.347   7.238
  157    HB   THR  21           HB       THR  21  15.945   9.716   9.035
  158    HG1  THR  21           HG1      THR  21  15.100   7.442   9.947
  159   HG21  THR  21          HG21      THR  21  14.356  10.834  10.570
  160   HG22  THR  21          HG22      THR  21  13.032   9.967   9.791
  161   HG23  THR  21          HG23      THR  21  13.984  11.135   8.872
  162    H    ASP  22           HN       ASP  22  14.391   6.718   6.283
  163    HA   ASP  22           HA       ASP  22  17.277   6.169   6.353
  164    HB2  ASP  22           HB2      ASP  22  15.941   4.214   6.911
  165    HB3  ASP  22           HB1      ASP  22  14.994   4.405   5.439
  166    H    GLY  23           HN       GLY  23  18.464   6.767   4.671
  167    HA2  GLY  23           HA2      GLY  23  17.204   8.106   2.459
  168    HA3  GLY  23           HA1      GLY  23  18.931   7.932   2.730
  169    H    THR  24           HN       THR  24  16.187   5.746   2.068
  170    HA   THR  24           HA       THR  24  17.859   4.187   0.279
  171    HB   THR  24           HB       THR  24  16.223   3.091   1.833
  172    HG1  THR  24           HG1      THR  24  16.659   1.693   0.290
  173   HG21  THR  24          HG21      THR  24  13.839   3.055   1.167
  174   HG22  THR  24          HG22      THR  24  14.177   4.313  -0.022
  175   HG23  THR  24          HG23      THR  24  14.377   4.648   1.698
  176    H    ASP  25           HN       ASP  25  16.065   3.457  -1.718
  177    HA   ASP  25           HA       ASP  25  15.652   6.038  -3.071
  178    HB2  ASP  25           HB2      ASP  25  17.352   4.460  -4.087
  179    HB3  ASP  25           HB1      ASP  25  16.015   3.370  -4.436
  180    H    LEU  26           HN       LEU  26  13.622   6.456  -2.458
  181    HA   LEU  26           HA       LEU  26  11.519   4.608  -3.358
  182    HB2  LEU  26           HB2      LEU  26  11.870   4.264  -0.958
  183    HB3  LEU  26           HB1      LEU  26  11.646   5.976  -0.667
  184    HG   LEU  26           HG       LEU  26   9.301   5.744  -1.514
  185   HD11  LEU  26          HD11      LEU  26   9.881   2.793  -1.327
  186   HD12  LEU  26          HD12      LEU  26   9.654   3.695  -2.824
  187   HD13  LEU  26          HD13      LEU  26   8.324   3.540  -1.678
  188   HD21  LEU  26          HD21      LEU  26   8.448   4.759   0.531
  189   HD22  LEU  26          HD22      LEU  26   9.852   5.770   0.879
  190   HD23  LEU  26          HD23      LEU  26  10.017   4.015   0.850
  191    H    SER  27           HN       SER  27  12.785   7.708  -3.369
  192    HA   SER  27           HA       SER  27  10.233   9.092  -3.421
  193    HB2  SER  27           HB2      SER  27  13.016  10.208  -3.848
  194    HB3  SER  27           HB1      SER  27  11.546  11.136  -3.546
  195    HG   SER  27           HG       SER  27  11.763   9.358  -1.606
  196    H    GLY  28           HN       GLY  28   9.410   7.992  -5.292
  197    HA2  GLY  28           HA2      GLY  28   9.747   9.533  -7.662
  198    HA3  GLY  28           HA1      GLY  28  10.501   7.953  -7.833
  199    H    ASP  29           HN       ASP  29   8.924   7.539  -9.526
  200    HA   ASP  29           HA       ASP  29   6.154   7.305  -8.742
  201    HB2  ASP  29           HB2      ASP  29   5.857   6.360 -11.053
  202    HB3  ASP  29           HB1      ASP  29   6.527   7.984 -11.002
  203    H    PHE  30           HN       PHE  30   6.338   5.884  -7.018
  204    HA   PHE  30           HA       PHE  30   7.546   3.298  -7.328
  205    HB2  PHE  30           HB2      PHE  30   6.576   2.969  -4.974
  206    HB3  PHE  30           HB1      PHE  30   7.795   4.220  -5.180
  207    HD1  PHE  30           HD1      PHE  30   4.091   3.800  -5.236
  208    HD2  PHE  30           HD2      PHE  30   7.390   6.310  -4.276
  209    HE1  PHE  30           HE1      PHE  30   2.550   5.437  -4.232
  210    HE2  PHE  30           HE2      PHE  30   5.861   7.943  -3.258
  211    HZ   PHE  30           HZ       PHE  30   3.444   7.560  -3.308
  212    H    LEU  31           HN       LEU  31   4.472   4.573  -7.954
  213    HA   LEU  31           HA       LEU  31   2.744   2.574  -7.143
  214    HB2  LEU  31           HB2      LEU  31   2.590   4.457  -9.474
  215    HB3  LEU  31           HB1      LEU  31   1.285   3.366  -9.058
  216    HG   LEU  31           HG       LEU  31   2.382   5.575  -7.321
  217   HD11  LEU  31          HD11      LEU  31   0.166   6.560  -7.620
  218   HD12  LEU  31          HD12      LEU  31  -0.268   5.248  -8.719
  219   HD13  LEU  31          HD13      LEU  31   1.011   6.380  -9.160
  220   HD21  LEU  31          HD21      LEU  31   0.159   3.608  -6.790
  221   HD22  LEU  31          HD22      LEU  31   0.553   5.004  -5.789
  222   HD23  LEU  31          HD23      LEU  31   1.709   3.682  -5.950
  223    H    ASP  32           HN       ASP  32   4.646   2.738 -10.124
  224    HA   ASP  32           HA       ASP  32   3.449   0.204 -10.980
  225    HB2  ASP  32           HB2      ASP  32   5.082   2.265 -12.458
  226    HB3  ASP  32           HB1      ASP  32   4.698   0.691 -13.145
  227    H    LEU  33           HN       LEU  33   5.909   1.076  -9.102
  228    HA   LEU  33           HA       LEU  33   7.768  -0.977 -10.026
  229    HB2  LEU  33           HB2      LEU  33   7.881   0.873  -7.634
  230    HB3  LEU  33           HB1      LEU  33   9.136  -0.261  -8.098
  231    HG   LEU  33           HG       LEU  33   8.234   2.098  -9.758
  232   HD11  LEU  33          HD11      LEU  33  10.380   3.084  -9.163
  233   HD12  LEU  33          HD12      LEU  33  10.736   1.706  -8.119
  234   HD13  LEU  33          HD13      LEU  33   9.401   2.791  -7.727
  235   HD21  LEU  33          HD21      LEU  33  10.529   0.176 -10.131
  236   HD22  LEU  33          HD22      LEU  33  10.190   1.592 -11.126
  237   HD23  LEU  33          HD23      LEU  33   9.063   0.236 -11.106
  238    H    ARG  34           HN       ARG  34   7.979  -2.949  -9.025
  239    HA   ARG  34           HA       ARG  34   5.794  -3.798  -7.396
  240    HB2  ARG  34           HB2      ARG  34   8.272  -5.125  -8.429
  241    HB3  ARG  34           HB1      ARG  34   7.346  -5.896  -7.152
  242    HG2  ARG  34           HG2      ARG  34   5.339  -5.754  -8.620
  243    HG3  ARG  34           HG1      ARG  34   6.398  -5.185  -9.911
  244    HD2  ARG  34           HD2      ARG  34   7.568  -7.216  -9.997
  245    HD3  ARG  34           HD1      ARG  34   6.932  -7.740  -8.437
  246    HE   ARG  34           HE       ARG  34   4.803  -7.356 -10.252
  247   HH11  ARG  34          HH11      ARG  34   7.470  -9.539  -9.589
  248   HH12  ARG  34          HH12      ARG  34   6.678 -10.922 -10.286
  249   HH21  ARG  34          HH21      ARG  34   3.741  -9.176 -11.123
  250   HH22  ARG  34          HH22      ARG  34   4.542 -10.718 -11.142
  251    H    PHE  35           HN       PHE  35   5.848  -4.520  -5.249
  252    HA   PHE  35           HA       PHE  35   7.361  -3.110  -3.382
  253    HB2  PHE  35           HB2      PHE  35   6.136  -5.861  -3.034
  254    HB3  PHE  35           HB1      PHE  35   6.581  -4.749  -1.742
  255    HD1  PHE  35           HD2      PHE  35   5.453  -2.381  -1.878
  256    HD2  PHE  35           HD1      PHE  35   3.946  -5.885  -3.763
  257    HE1  PHE  35           HE2      PHE  35   3.212  -1.366  -1.957
  258    HE2  PHE  35           HE1      PHE  35   1.699  -4.875  -3.845
  259    HZ   PHE  35           HZ       PHE  35   1.330  -2.610  -2.990
  260    H    GLU  36           HN       GLU  36   7.940  -6.140  -5.008
  261    HA   GLU  36           HA       GLU  36  10.225  -7.051  -3.715
  262    HB2  GLU  36           HB2      GLU  36   9.542  -7.232  -6.655
  263    HB3  GLU  36           HB1      GLU  36  10.717  -8.230  -5.809
  264    HG2  GLU  36           HG2      GLU  36   9.001  -9.262  -4.502
  265    HG3  GLU  36           HG1      GLU  36   7.785  -8.153  -5.136
  266    H    ASP  37           HN       ASP  37   9.825  -4.453  -6.024
  267    HA   ASP  37           HA       ASP  37  12.644  -4.322  -6.681
  268    HB2  ASP  37           HB2      ASP  37  10.394  -2.421  -7.398
  269    HB3  ASP  37           HB1      ASP  37  12.021  -2.370  -8.057
  270    H    ILE  38           HN       ILE  38  10.309  -2.543  -4.739
  271    HA   ILE  38           HA       ILE  38  12.265  -0.494  -4.111
  272    HB   ILE  38           HB       ILE  38  10.395   0.494  -2.743
  273   HG12  ILE  38          HG12      ILE  38   8.793  -1.673  -4.123
  274   HG13  ILE  38          HG11      ILE  38   9.107  -1.575  -2.396
  275   HG21  ILE  38          HG21      ILE  38   9.177   1.292  -4.741
  276   HG22  ILE  38          HG22      ILE  38   9.973   0.038  -5.693
  277   HG23  ILE  38          HG23      ILE  38  10.929   1.314  -4.944
  278   HD11  ILE  38          HD11      ILE  38   7.846   0.503  -2.284
  279   HD12  ILE  38          HD12      ILE  38   6.870  -0.816  -2.930
  280   HD13  ILE  38          HD13      ILE  38   7.532   0.409  -4.016
  281    H    GLY  39           HN       GLY  39  12.172  -3.433  -3.065
  282    HA2  GLY  39           HA2      GLY  39  13.218  -4.406  -1.272
  283    HA3  GLY  39           HA1      GLY  39  13.571  -2.793  -0.675
  284    H    TYR  40           HN       TYR  40  10.294  -3.912  -1.284
  285    HA   TYR  40           HA       TYR  40   9.882  -3.980   1.631
  286    HB2  TYR  40           HB2      TYR  40   8.070  -3.057  -0.585
  287    HB3  TYR  40           HB1      TYR  40   7.415  -3.557   0.970
  288    HD1  TYR  40           HD2      TYR  40   8.040  -2.316   3.023
  289    HD2  TYR  40           HD1      TYR  40   9.134  -0.934  -0.844
  290    HE1  TYR  40           HE2      TYR  40   8.480  -0.086   3.950
  291    HE2  TYR  40           HE1      TYR  40   9.580   1.304   0.068
  292    HH   TYR  40           HH       TYR  40   9.848   1.911   3.377
  293    H    ASP  41           HN       ASP  41   9.884  -5.992   2.273
  294    HA   ASP  41           HA       ASP  41   8.976  -8.110   0.521
  295    HB2  ASP  41           HB2      ASP  41  10.245  -8.139   3.255
  296    HB3  ASP  41           HB1      ASP  41   9.705  -9.597   2.432
  297    H    SER  42           HN       SER  42   7.886  -9.968   1.896
  298    HA   SER  42           HA       SER  42   5.209  -9.402   2.016
  299    HB2  SER  42           HB2      SER  42   5.090 -11.580   3.332
  300    HB3  SER  42           HB1      SER  42   5.946 -11.649   1.786
  301    H    LEU  43           HN       LEU  43   7.317  -9.913   4.861
  302    HA   LEU  43           HA       LEU  43   5.357  -9.408   6.786
  303    HB2  LEU  43           HB2      LEU  43   7.509 -10.497   7.270
  304    HB3  LEU  43           HB1      LEU  43   8.335  -8.972   7.008
  305    HG   LEU  43           HG       LEU  43   7.107  -8.003   8.932
  306   HD11  LEU  43          HD11      LEU  43   5.135  -9.428   8.869
  307   HD12  LEU  43          HD12      LEU  43   5.911  -9.493  10.452
  308   HD13  LEU  43          HD13      LEU  43   6.115 -10.825   9.312
  309   HD21  LEU  43          HD21      LEU  43   9.345  -8.928   9.234
  310   HD22  LEU  43          HD22      LEU  43   8.653 -10.522   9.543
  311   HD23  LEU  43          HD23      LEU  43   8.353  -9.194  10.665
  312    H    ALA  44           HN       ALA  44   7.762  -7.181   5.391
  313    HA   ALA  44           HA       ALA  44   7.037  -4.952   6.937
  314    HB1  ALA  44           HB1      ALA  44   8.256  -5.015   4.179
  315    HB2  ALA  44           HB2      ALA  44   9.137  -5.060   5.707
  316    HB3  ALA  44           HB3      ALA  44   8.219  -3.621   5.262
  317    H    LEU  45           HN       LEU  45   5.861  -6.167   3.854
  318    HA   LEU  45           HA       LEU  45   4.269  -3.945   3.174
  319    HB2  LEU  45           HB2      LEU  45   4.954  -5.663   1.566
  320    HB3  LEU  45           HB1      LEU  45   3.948  -6.841   2.388
  321    HG   LEU  45           HG       LEU  45   1.945  -5.538   1.784
  322   HD11  LEU  45          HD11      LEU  45   2.100  -3.712   0.196
  323   HD12  LEU  45          HD12      LEU  45   3.858  -3.838   0.184
  324   HD13  LEU  45          HD13      LEU  45   3.017  -3.328   1.650
  325   HD21  LEU  45          HD21      LEU  45   3.749  -6.290  -0.512
  326   HD22  LEU  45          HD22      LEU  45   2.004  -6.051  -0.625
  327   HD23  LEU  45          HD23      LEU  45   2.654  -7.361   0.360
  328    H    MET  46           HN       MET  46   3.504  -6.936   4.970
  329    HA   MET  46           HA       MET  46   0.740  -6.297   5.171
  330    HB2  MET  46           HB2      MET  46   0.554  -8.091   6.790
  331    HB3  MET  46           HB1      MET  46   1.537  -8.608   5.430
  332    HG2  MET  46           HG2      MET  46   3.539  -8.406   6.713
  333    HG3  MET  46           HG1      MET  46   2.672  -7.650   8.047
  334    HE1  MET  46           HE1      MET  46   0.875  -8.986   9.570
  335    HE2  MET  46           HE2      MET  46   0.427 -10.661   9.261
  336    HE3  MET  46           HE3      MET  46   0.022  -9.411   8.084
  337    H    GLU  47           HN       GLU  47   3.540  -5.498   7.117
  338    HA   GLU  47           HA       GLU  47   2.119  -4.399   9.305
  339    HB2  GLU  47           HB2      GLU  47   4.876  -3.795   8.224
  340    HB3  GLU  47           HB1      GLU  47   4.249  -3.140   9.732
  341    HG2  GLU  47           HG2      GLU  47   3.942  -5.471  10.540
  342    HG3  GLU  47           HG1      GLU  47   4.742  -6.033   9.076
  343    H    THR  48           HN       THR  48   3.388  -2.996   6.297
  344    HA   THR  48           HA       THR  48   2.460  -0.372   6.710
  345    HB   THR  48           HB       THR  48   2.815  -1.817   4.074
  346    HG1  THR  48           HG1      THR  48   4.622  -0.448   5.794
  347   HG21  THR  48          HG21      THR  48   3.190   0.443   3.169
  348   HG22  THR  48          HG22      THR  48   2.785   1.125   4.744
  349   HG23  THR  48          HG23      THR  48   1.563   0.249   3.822
  350    H    ALA  49           HN       ALA  49   0.914  -3.234   5.341
  351    HA   ALA  49           HA       ALA  49  -1.405  -2.126   4.296
  352    HB1  ALA  49           HB1      ALA  49  -2.402  -4.323   4.551
  353    HB2  ALA  49           HB2      ALA  49  -1.136  -4.787   5.686
  354    HB3  ALA  49           HB3      ALA  49  -0.732  -4.467   4.000
  355    H    ALA  50           HN       ALA  50  -0.652  -2.994   7.630
  356    HA   ALA  50           HA       ALA  50  -3.240  -2.779   8.706
  357    HB1  ALA  50           HB1      ALA  50  -0.583  -2.308  10.057
  358    HB2  ALA  50           HB2      ALA  50  -1.382  -3.869   9.865
  359    HB3  ALA  50           HB3      ALA  50  -2.120  -2.620  10.867
  360    H    ARG  51           HN       ARG  51  -0.787  -0.454   7.943
  361    HA   ARG  51           HA       ARG  51  -1.773   1.736   9.420
  362    HB2  ARG  51           HB2      ARG  51  -0.176   1.746   6.850
  363    HB3  ARG  51           HB1      ARG  51  -0.386   3.105   7.936
  364    HG2  ARG  51           HG2      ARG  51   1.049   0.536   8.549
  365    HG3  ARG  51           HG1      ARG  51   1.782   2.115   8.262
  366    HD2  ARG  51           HD2      ARG  51  -0.073   1.408  10.529
  367    HD3  ARG  51           HD1      ARG  51   1.676   1.582  10.646
  368    HE   ARG  51           HE       ARG  51   0.734   3.976   9.608
  369   HH11  ARG  51          HH11      ARG  51   0.228   2.091  12.532
  370   HH12  ARG  51          HH12      ARG  51  -0.011   3.486  13.537
  371   HH21  ARG  51          HH21      ARG  51   0.390   5.807  10.925
  372   HH22  ARG  51          HH22      ARG  51   0.079   5.593  12.627
  373    H    LEU  52           HN       LEU  52  -2.338   0.607   6.121
  374    HA   LEU  52           HA       LEU  52  -3.923   2.823   5.326
  375    HB2  LEU  52           HB2      LEU  52  -3.943   0.014   4.218
  376    HB3  LEU  52           HB1      LEU  52  -4.572   1.448   3.424
  377    HG   LEU  52           HG       LEU  52  -1.669   0.969   4.098
  378   HD11  LEU  52          HD11      LEU  52  -3.135   0.833   1.473
  379   HD12  LEU  52          HD12      LEU  52  -2.410  -0.520   2.344
  380   HD13  LEU  52          HD13      LEU  52  -1.386   0.750   1.672
  381   HD21  LEU  52          HD21      LEU  52  -1.291   2.947   2.676
  382   HD22  LEU  52          HD22      LEU  52  -2.205   3.323   4.137
  383   HD23  LEU  52          HD23      LEU  52  -3.036   3.193   2.587
  384    H    GLU  53           HN       GLU  53  -4.735  -0.438   6.490
  385    HA   GLU  53           HA       GLU  53  -7.518  -0.179   6.325
  386    HB2  GLU  53           HB2      GLU  53  -5.822  -1.817   8.216
  387    HB3  GLU  53           HB1      GLU  53  -7.571  -1.938   8.139
  388    HG2  GLU  53           HG2      GLU  53  -7.377  -2.602   5.763
  389    HG3  GLU  53           HG1      GLU  53  -5.623  -2.596   5.948
  390    H    SER  54           HN       SER  54  -5.348   0.366   9.091
  391    HA   SER  54           HA       SER  54  -7.359   1.078  10.915
  392    HB2  SER  54           HB2      SER  54  -5.085   0.327  11.551
  393    HB3  SER  54           HB1      SER  54  -4.431   1.849  10.953
  394    HG   SER  54           HG       SER  54  -5.937   1.322  13.243
  395    H    ARG  55           HN       ARG  55  -5.406   3.045   8.707
  396    HA   ARG  55           HA       ARG  55  -6.081   5.532   9.877
  397    HB2  ARG  55           HB2      ARG  55  -4.125   5.114   8.363
  398    HB3  ARG  55           HB1      ARG  55  -5.251   5.057   7.010
  399    HG2  ARG  55           HG2      ARG  55  -5.957   7.362   7.555
  400    HG3  ARG  55           HG1      ARG  55  -4.734   7.405   8.824
  401    HD2  ARG  55           HD2      ARG  55  -3.009   6.952   7.087
  402    HD3  ARG  55           HD1      ARG  55  -4.266   7.104   5.860
  403    HE   ARG  55           HE       ARG  55  -3.733   9.318   7.723
  404   HH11  ARG  55          HH11      ARG  55  -3.881   8.059   4.460
  405   HH12  ARG  55          HH12      ARG  55  -3.624   9.610   3.711
  406   HH21  ARG  55          HH21      ARG  55  -3.352  11.346   6.751
  407   HH22  ARG  55          HH22      ARG  55  -3.304  11.470   5.019
  408    H    TYR  56           HN       TYR  56  -7.474   3.734   7.163
  409    HA   TYR  56           HA       TYR  56  -9.376   5.910   6.708
  410    HB2  TYR  56           HB2      TYR  56  -8.719   3.435   5.113
  411    HB3  TYR  56           HB1      TYR  56 -10.011   4.550   4.687
  412    HD1  TYR  56           HD1      TYR  56  -6.350   4.181   5.005
  413    HD2  TYR  56           HD2      TYR  56  -9.545   6.651   3.648
  414    HE1  TYR  56           HE1      TYR  56  -4.745   5.567   3.763
  415    HE2  TYR  56           HE2      TYR  56  -7.945   8.047   2.408
  416    HH   TYR  56           HH       TYR  56  -5.660   8.574   2.285
  417    H    GLY  57           HN       GLY  57  -9.240   2.816   8.181
  418    HA2  GLY  57           HA2      GLY  57 -10.922   1.799   9.441
  419    HA3  GLY  57           HA1      GLY  57 -12.077   2.954   8.787
  420    H    VAL  58           HN       VAL  58  -9.877   0.912   6.952
  421    HA   VAL  58           HA       VAL  58 -12.221  -0.331   5.684
  422    HB   VAL  58           HB       VAL  58 -10.800  -0.770   3.732
  423   HG11  VAL  58          HG11      VAL  58 -12.066   1.293   3.763
  424   HG12  VAL  58          HG12      VAL  58 -10.505   1.557   2.980
  425   HG13  VAL  58          HG13      VAL  58 -10.764   2.106   4.636
  426   HG21  VAL  58          HG21      VAL  58  -8.564   0.246   3.564
  427   HG22  VAL  58          HG22      VAL  58  -8.632  -0.983   4.825
  428   HG23  VAL  58          HG23      VAL  58  -8.661   0.727   5.258
  429    H    SER  59           HN       SER  59 -11.136  -2.462   4.451
  430    HA   SER  59           HA       SER  59  -9.464  -3.993   6.220
  431    HB2  SER  59           HB2      SER  59 -11.766  -4.251   7.202
  432    HB3  SER  59           HB1      SER  59 -12.283  -4.970   5.673
  433    HG   SER  59           HG       SER  59 -10.012  -6.069   6.804
  434    H    ILE  60           HN       ILE  60  -8.218  -5.255   5.009
  435    HA   ILE  60           HA       ILE  60  -8.880  -5.533   2.164
  436    HB   ILE  60           HB       ILE  60  -6.269  -6.094   3.590
  437   HG12  ILE  60          HG12      ILE  60  -7.092  -3.705   1.907
  438   HG13  ILE  60          HG11      ILE  60  -6.913  -3.703   3.658
  439   HG21  ILE  60          HG21      ILE  60  -6.949  -5.939   0.656
  440   HG22  ILE  60          HG22      ILE  60  -6.469  -7.379   1.556
  441   HG23  ILE  60          HG23      ILE  60  -5.316  -6.067   1.311
  442   HD11  ILE  60          HD11      ILE  60  -4.717  -4.190   1.659
  443   HD12  ILE  60          HD12      ILE  60  -4.538  -4.209   3.413
  444   HD13  ILE  60          HD13      ILE  60  -4.981  -2.714   2.590
  445    HA   PRO  61           HA       PRO  61 -10.150  -9.780   2.866
  446    HB2  PRO  61           HB2      PRO  61  -9.719  -9.889  -0.065
  447    HB3  PRO  61           HB1      PRO  61 -11.145 -10.334   0.878
  448    HG2  PRO  61           HG2      PRO  61 -11.117  -8.101  -0.573
  449    HG3  PRO  61           HG1      PRO  61 -11.895  -8.146   1.020
  450    HD2  PRO  61           HD2      PRO  61  -9.244  -6.999   0.239
  451    HD3  PRO  61           HD1      PRO  61 -10.452  -6.371   1.380
  452    H    ASP  62           HN       ASP  62  -8.889 -11.436   3.419
  453    HA   ASP  62           HA       ASP  62  -6.093 -11.316   3.059
  454    HB2  ASP  62           HB2      ASP  62  -6.070 -13.550   4.168
  455    HB3  ASP  62           HB1      ASP  62  -6.967 -12.318   5.049
  456    H    ASP  63           HN       ASP  63  -8.488 -12.547   0.997
  457    HA   ASP  63           HA       ASP  63  -6.805 -14.440  -0.370
  458    HB2  ASP  63           HB2      ASP  63  -9.410 -13.109  -1.125
  459    HB3  ASP  63           HB1      ASP  63  -8.558 -14.202  -2.206
  460    H    VAL  64           HN       VAL  64  -7.801 -11.092  -0.854
  461    HA   VAL  64           HA       VAL  64  -6.469 -10.827  -3.374
  462    HB   VAL  64           HB       VAL  64  -7.458  -8.605  -1.588
  463   HG11  VAL  64          HG11      VAL  64  -6.997  -8.734  -4.564
  464   HG12  VAL  64          HG12      VAL  64  -6.034  -7.834  -3.390
  465   HG13  VAL  64          HG13      VAL  64  -7.708  -7.373  -3.698
  466   HG21  VAL  64          HG21      VAL  64  -9.250 -10.213  -1.964
  467   HG22  VAL  64          HG22      VAL  64  -8.970 -10.129  -3.704
  468   HG23  VAL  64          HG23      VAL  64  -9.558  -8.710  -2.833
  469    H    ALA  65           HN       ALA  65  -5.509 -10.581  -0.107
  470    HA   ALA  65           HA       ALA  65  -3.495  -8.656  -0.214
  471    HB1  ALA  65           HB1      ALA  65  -2.572  -9.731   1.772
  472    HB2  ALA  65           HB2      ALA  65  -3.583 -11.147   1.479
  473    HB3  ALA  65           HB3      ALA  65  -4.328  -9.598   1.879
  474    H    GLY  66           HN       GLY  66  -3.533 -11.952  -1.311
  475    HA2  GLY  66           HA2      GLY  66  -0.651 -11.789  -1.899
  476    HA3  GLY  66           HA1      GLY  66  -1.573 -13.280  -1.777
  477    H    ARG  67           HN       ARG  67  -3.048 -10.667  -3.462
  478    HA   ARG  67           HA       ARG  67  -2.623 -12.129  -5.979
  479    HB2  ARG  67           HB2      ARG  67  -4.809 -10.213  -5.170
  480    HB3  ARG  67           HB1      ARG  67  -4.641 -10.884  -6.785
  481    HG2  ARG  67           HG2      ARG  67  -5.222 -12.371  -4.235
  482    HG3  ARG  67           HG1      ARG  67  -6.300 -12.139  -5.611
  483    HD2  ARG  67           HD2      ARG  67  -3.779 -13.782  -5.501
  484    HD3  ARG  67           HD1      ARG  67  -5.428 -14.364  -5.705
  485    HE   ARG  67           HE       ARG  67  -4.304 -12.595  -7.745
  486   HH11  ARG  67          HH11      ARG  67  -5.445 -15.765  -6.796
  487   HH12  ARG  67          HH12      ARG  67  -5.434 -16.395  -8.420
  488   HH21  ARG  67          HH21      ARG  67  -4.265 -13.434  -9.895
  489   HH22  ARG  67          HH22      ARG  67  -4.773 -15.068 -10.171
  490    H    VAL  68           HN       VAL  68  -1.847  -9.193  -4.412
  491    HA   VAL  68           HA       VAL  68  -1.655  -7.704  -6.903
  492    HB   VAL  68           HB       VAL  68  -0.995  -5.782  -5.496
  493   HG11  VAL  68          HG11      VAL  68  -3.513  -7.169  -4.591
  494   HG12  VAL  68          HG12      VAL  68  -3.342  -6.181  -6.042
  495   HG13  VAL  68          HG13      VAL  68  -3.169  -5.444  -4.448
  496   HG21  VAL  68          HG21      VAL  68   0.093  -7.011  -3.685
  497   HG22  VAL  68          HG22      VAL  68  -1.464  -7.678  -3.197
  498   HG23  VAL  68          HG23      VAL  68  -1.167  -5.945  -3.061
  499    H    ASP  69           HN       ASP  69   0.349  -6.293  -7.132
  500    HA   ASP  69           HA       ASP  69   2.802  -7.595  -6.250
  501    HB2  ASP  69           HB2      ASP  69   3.677  -7.903  -8.410
  502    HB3  ASP  69           HB1      ASP  69   2.030  -8.495  -8.533
  503    H    THR  70           HN       THR  70   1.123  -4.879  -7.632
  504    HA   THR  70           HA       THR  70   3.373  -3.117  -6.937
  505    HB   THR  70           HB       THR  70   2.434  -1.654  -8.850
  506    HG1  THR  70           HG1      THR  70   1.450  -4.220  -9.671
  507   HG21  THR  70          HG21      THR  70   3.834  -4.247  -9.510
  508   HG22  THR  70          HG22      THR  70   4.613  -2.776  -8.927
  509   HG23  THR  70          HG23      THR  70   3.823  -2.791 -10.503
  510    HA   PRO  71           HA       PRO  71   0.635  -0.673  -4.424
  511    HB2  PRO  71           HB2      PRO  71   1.877   1.613  -5.894
  512    HB3  PRO  71           HB1      PRO  71   1.667   1.377  -4.156
  513    HG2  PRO  71           HG2      PRO  71   4.040   1.018  -5.278
  514    HG3  PRO  71           HG1      PRO  71   3.470  -0.083  -4.009
  515    HD2  PRO  71           HD2      PRO  71   3.630  -0.513  -6.960
  516    HD3  PRO  71           HD1      PRO  71   3.891  -1.665  -5.633
  517    H    ARG  72           HN       ARG  72   1.004   0.319  -7.812
  518    HA   ARG  72           HA       ARG  72  -1.262   1.894  -8.078
  519    HB2  ARG  72           HB2      ARG  72   0.603   1.574  -9.745
  520    HB3  ARG  72           HB1      ARG  72  -0.160   0.061 -10.205
  521    HG2  ARG  72           HG2      ARG  72  -2.118   1.205 -10.978
  522    HG3  ARG  72           HG1      ARG  72  -1.513   2.744 -10.362
  523    HD2  ARG  72           HD2      ARG  72   0.339   2.665 -11.936
  524    HD3  ARG  72           HD1      ARG  72  -0.209   1.092 -12.520
  525    HE   ARG  72           HE       ARG  72  -2.218   3.123 -12.734
  526   HH11  ARG  72          HH11      ARG  72   0.639   1.832 -14.286
  527   HH12  ARG  72          HH12      ARG  72   0.119   2.268 -15.887
  528   HH21  ARG  72          HH21      ARG  72  -2.901   3.704 -14.853
  529   HH22  ARG  72          HH22      ARG  72  -1.881   3.328 -16.206
  530    H    GLU  73           HN       GLU  73  -0.938  -1.578  -8.763
  531    HA   GLU  73           HA       GLU  73  -3.663  -2.002  -9.366
  532    HB2  GLU  73           HB2      GLU  73  -1.565  -3.950  -8.398
  533    HB3  GLU  73           HB1      GLU  73  -3.137  -4.411  -9.035
  534    HG2  GLU  73           HG2      GLU  73  -1.007  -2.920 -10.552
  535    HG3  GLU  73           HG1      GLU  73  -1.344  -4.643 -10.691
  536    H    LEU  74           HN       LEU  74  -1.799  -2.381  -6.384
  537    HA   LEU  74           HA       LEU  74  -3.753  -3.554  -4.770
  538    HB2  LEU  74           HB2      LEU  74  -1.215  -2.986  -4.356
  539    HB3  LEU  74           HB1      LEU  74  -1.853  -1.505  -3.684
  540    HG   LEU  74           HG       LEU  74  -2.500  -4.279  -2.684
  541   HD11  LEU  74          HD11      LEU  74  -1.149  -3.577  -0.720
  542   HD12  LEU  74          HD12      LEU  74  -0.624  -2.175  -1.650
  543   HD13  LEU  74          HD13      LEU  74  -0.222  -3.800  -2.203
  544   HD21  LEU  74          HD21      LEU  74  -3.145  -1.592  -1.479
  545   HD22  LEU  74          HD22      LEU  74  -3.528  -3.170  -0.789
  546   HD23  LEU  74          HD23      LEU  74  -4.303  -2.650  -2.286
  547    H    LEU  75           HN       LEU  75  -3.053  -0.164  -5.428
  548    HA   LEU  75           HA       LEU  75  -4.741   1.046  -3.603
  549    HB2  LEU  75           HB2      LEU  75  -2.992   2.125  -5.050
  550    HB3  LEU  75           HB1      LEU  75  -4.128   2.043  -6.383
  551    HG   LEU  75           HG       LEU  75  -5.690   3.488  -5.111
  552   HD11  LEU  75          HD11      LEU  75  -3.402   3.680  -3.158
  553   HD12  LEU  75          HD12      LEU  75  -4.967   2.927  -2.857
  554   HD13  LEU  75          HD13      LEU  75  -4.863   4.667  -3.130
  555   HD21  LEU  75          HD21      LEU  75  -4.392   5.553  -5.364
  556   HD22  LEU  75          HD22      LEU  75  -4.176   4.470  -6.739
  557   HD23  LEU  75          HD23      LEU  75  -2.916   4.602  -5.511
  558    H    ASP  76           HN       ASP  76  -5.454  -0.165  -6.845
  559    HA   ASP  76           HA       ASP  76  -7.987   0.994  -7.183
  560    HB2  ASP  76           HB2      ASP  76  -6.793   0.026  -9.063
  561    HB3  ASP  76           HB1      ASP  76  -6.857  -1.568  -8.322
  562    H    LEU  77           HN       LEU  77  -6.985  -1.920  -5.516
  563    HA   LEU  77           HA       LEU  77  -9.519  -3.134  -5.330
  564    HB2  LEU  77           HB2      LEU  77  -6.961  -3.406  -3.818
  565    HB3  LEU  77           HB1      LEU  77  -8.406  -4.158  -3.173
  566    HG   LEU  77           HG       LEU  77  -7.127  -5.777  -4.422
  567   HD11  LEU  77          HD11      LEU  77  -9.547  -5.981  -4.483
  568   HD12  LEU  77          HD12      LEU  77  -8.829  -6.535  -5.996
  569   HD13  LEU  77          HD13      LEU  77  -9.610  -4.956  -5.916
  570   HD21  LEU  77          HD21      LEU  77  -6.765  -5.540  -6.841
  571   HD22  LEU  77          HD22      LEU  77  -5.913  -4.305  -5.914
  572   HD23  LEU  77          HD23      LEU  77  -7.406  -3.898  -6.762
  573    H    ILE  78           HN       ILE  78  -7.831  -0.913  -3.138
  574    HA   ILE  78           HA       ILE  78  -9.999  -0.962  -1.249
  575    HB   ILE  78           HB       ILE  78  -7.646   0.937  -1.343
  576   HG12  ILE  78          HG12      ILE  78  -8.033  -1.698   0.096
  577   HG13  ILE  78          HG11      ILE  78  -6.836  -1.334  -1.143
  578   HG21  ILE  78          HG21      ILE  78  -9.459   1.810   0.004
  579   HG22  ILE  78          HG22      ILE  78  -8.147   1.269   1.053
  580   HG23  ILE  78          HG23      ILE  78  -9.592   0.276   0.863
  581   HD11  ILE  78          HD11      ILE  78  -6.940  -0.232   1.660
  582   HD12  ILE  78          HD12      ILE  78  -5.803   0.293   0.415
  583   HD13  ILE  78          HD13      ILE  78  -5.766  -1.371   0.995
  584    H    ASN  79           HN       ASN  79  -8.863   1.203  -3.799
  585    HA   ASN  79           HA       ASN  79 -10.645   3.331  -3.312
  586    HB2  ASN  79           HB2      ASN  79  -9.337   2.358  -5.851
  587    HB3  ASN  79           HB1      ASN  79 -10.395   3.761  -5.830
  588   HD21  ASN  79          HD21      ASN  79  -9.416   4.533  -3.129
  589   HD22  ASN  79          HD22      ASN  79  -7.851   5.220  -3.402
  590    H    GLY  80           HN       GLY  80 -10.975   0.431  -5.327
  591    HA2  GLY  80           HA2      GLY  80 -13.475   1.061  -6.450
  592    HA3  GLY  80           HA1      GLY  80 -12.809  -0.557  -6.286
  593    H    ALA  81           HN       ALA  81 -12.639  -0.595  -3.439
  594    HA   ALA  81           HA       ALA  81 -15.283  -1.467  -2.862
  595    HB1  ALA  81           HB1      ALA  81 -14.420  -1.991  -0.645
  596    HB2  ALA  81           HB2      ALA  81 -12.962  -1.056  -0.976
  597    HB3  ALA  81           HB3      ALA  81 -13.294  -2.527  -1.891
  598    H    LEU  82           HN       LEU  82 -13.437   1.406  -2.103
  599    HA   LEU  82           HA       LEU  82 -15.368   2.476  -0.283
  600    HB2  LEU  82           HB2      LEU  82 -13.066   3.751  -1.758
  601    HB3  LEU  82           HB1      LEU  82 -14.049   4.587  -0.574
  602    HG   LEU  82           HG       LEU  82 -12.355   2.149  -0.005
  603   HD11  LEU  82          HD11      LEU  82 -11.909   5.044   0.718
  604   HD12  LEU  82          HD12      LEU  82 -11.020   4.152  -0.515
  605   HD13  LEU  82          HD13      LEU  82 -10.886   3.685   1.181
  606   HD21  LEU  82          HD21      LEU  82 -12.855   2.633   2.331
  607   HD22  LEU  82          HD22      LEU  82 -14.339   2.332   1.426
  608   HD23  LEU  82          HD23      LEU  82 -13.879   3.982   1.843
  609    H    ALA  83           HN       ALA  83 -14.768   2.715  -3.724
  610    HA   ALA  83           HA       ALA  83 -16.368   4.968  -4.260
  611    HB1  ALA  83           HB1      ALA  83 -14.699   4.086  -5.818
  612    HB2  ALA  83           HB2      ALA  83 -16.280   4.255  -6.580
  613    HB3  ALA  83           HB3      ALA  83 -15.704   2.662  -6.087
  614    H    GLU  84           HN       GLU  84 -17.129   1.496  -4.268
  615    HA   GLU  84           HA       GLU  84 -19.892   2.099  -4.962
  616    HB2  GLU  84           HB2      GLU  84 -20.162  -0.371  -5.058
  617    HB3  GLU  84           HB1      GLU  84 -18.924   0.250  -6.140
  618    HG2  GLU  84           HG2      GLU  84 -17.190  -0.470  -4.610
  619    HG3  GLU  84           HG1      GLU  84 -18.412  -1.025  -3.461
  620    H    ALA  85           HN       ALA  85 -18.516   2.637  -2.272
  621    HA   ALA  85           HA       ALA  85 -20.291   1.089  -0.526
  622    HB1  ALA  85           HB1      ALA  85 -17.937   1.171   0.111
  623    HB2  ALA  85           HB2      ALA  85 -18.943   1.972   1.318
  624    HB3  ALA  85           HB3      ALA  85 -18.007   2.931   0.172
  625    H    ALA  86           HN       ALA  86 -20.648   3.704  -2.317
  626    HA   ALA  86           HA       ALA  86 -22.413   5.011  -0.382
  627    HB1  ALA  86           HB1      ALA  86 -20.324   6.313  -0.414
  628    HB2  ALA  86           HB2      ALA  86 -21.681   7.230  -1.068
  629    HB3  ALA  86           HB3      ALA  86 -20.489   6.520  -2.157
  630    H28  SXO  87          H28B      SXO  87   5.572 -12.360   5.326
  631   H28A  SXO  87          H28A      SXO  87   6.343 -13.743   6.101
  632    H30  SXO  87          H30A      SXO  87   2.712 -13.675   7.016
  633   H30A  SXO  87          H30C      SXO  87   4.330 -13.301   7.613
  634   H30B  SXO  87          H30B      SXO  87   3.545 -12.224   6.456
  635    H31  SXO  87          H31A      SXO  87   2.416 -14.323   4.588
  636   H31A  SXO  87          H31B      SXO  87   3.838 -14.440   3.550
  637   H31B  SXO  87          H31C      SXO  87   3.290 -12.865   4.124
  638    H32  SXO  87          H32A      SXO  87   4.895 -15.633   6.953
  639   HO33  SXO  87          H33A      SXO  87   4.654 -16.948   4.612
  640   HN36  SXO  87          H36A      SXO  87   2.605 -15.315   7.788
  641    H37  SXO  87          H37A      SXO  87   0.525 -16.817   6.365
  642   H37A  SXO  87          H37B      SXO  87   1.044 -17.399   7.940
  643    H38  SXO  87          H38B      SXO  87   0.548 -14.745   8.413
  644   H38A  SXO  87          H38A      SXO  87  -0.540 -16.085   8.782
  645   HN41  SXO  87          H41A      SXO  87   0.324 -14.949   5.621
  646    H42  SXO  87          H42A      SXO  87  -2.073 -14.998   4.361
  647   H42A  SXO  87          H42B      SXO  87  -2.065 -13.419   5.145
  648    H43  SXO  87          H43B      SXO  87   0.055 -14.404   3.237
  649   H43A  SXO  87          H43A      SXO  87  -1.275 -13.312   2.814
  650    H2   SXO  87           H2A      SXO  87   2.570 -10.663   1.772
  651    H2A  SXO  87           H2B      SXO  87   2.780 -10.936   3.500
  652    H3   SXO  87           H3B      SXO  87   0.781  -9.523   3.905
  653    H3A  SXO  87           H3A      SXO  87   2.118  -8.659   3.151
  654    H4   SXO  87           H4A      SXO  87  -0.298  -9.765   1.729
  655    H4A  SXO  87           H4B      SXO  87   1.041  -8.911   0.963
  656    H5   SXO  87           H5B      SXO  87  -0.854  -7.789   3.022
  657    H5A  SXO  87           H5A      SXO  87   0.528  -6.929   2.339
  658    H6   SXO  87           H6A      SXO  87  -1.836  -7.985   0.781
  659    H6A  SXO  87           H6B      SXO  87  -0.462  -7.107   0.108
  660    H7   SXO  87           H7A      SXO  87  -2.373  -5.988   2.167
  661    H7A  SXO  87           H7B      SXO  87  -2.434  -5.646   0.428
  662    H8   SXO  87           H8C      SXO  87  -0.121  -5.058   2.266
  663    H8A  SXO  87           H8A      SXO  87  -1.277  -3.874   1.660
  664    H8B  SXO  87           H8B      SXO  87  -0.191  -4.700   0.542
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1 -16.672  11.885  -1.833
    2    H2   MET   1           HT2      MET   1 -18.230  11.581  -2.432
    3    H3   MET   1           HT3      MET   1 -17.314  10.315  -1.767
    4    HA   MET   1           HA       MET   1 -18.410  12.659  -0.333
    5    HB2  MET   1           HB2      MET   1 -19.065   9.716  -0.218
    6    HB3  MET   1           HB1      MET   1 -19.631  10.887   0.964
    7    HG2  MET   1           HG2      MET   1 -20.796  12.099  -0.830
    8    HG3  MET   1           HG1      MET   1 -20.262  10.876  -1.980
    9    HE1  MET   1           HE1      MET   1 -21.476  10.320   1.756
   10    HE2  MET   1           HE2      MET   1 -23.207  10.106   1.491
   11    HE3  MET   1           HE3      MET   1 -22.442  11.658   1.143
   12    H    ALA   2           HN       ALA   2 -16.206   9.910  -0.263
   13    HA   ALA   2           HA       ALA   2 -15.474  10.673   2.491
   14    HB1  ALA   2           HB1      ALA   2 -15.196   7.958   1.216
   15    HB2  ALA   2           HB2      ALA   2 -16.497   8.440   2.305
   16    HB3  ALA   2           HB3      ALA   2 -14.834   8.379   2.891
   17    H    THR   3           HN       THR   3 -13.231  10.224   3.097
   18    HA   THR   3           HA       THR   3 -11.377  11.262   1.186
   19    HB   THR   3           HB       THR   3  -9.926  10.295   3.354
   20    HG1  THR   3           HG1      THR   3 -11.250  10.220   5.030
   21   HG21  THR   3          HG21      THR   3 -11.275  12.977   3.008
   22   HG22  THR   3          HG22      THR   3  -9.715  12.509   2.327
   23   HG23  THR   3          HG23      THR   3  -9.911  12.642   4.075
   24    H    LEU   4           HN       LEU   4 -10.708   9.993  -0.415
   25    HA   LEU   4           HA       LEU   4 -10.544   7.130  -0.140
   26    HB2  LEU   4           HB2      LEU   4  -9.717   8.880  -2.461
   27    HB3  LEU   4           HB1      LEU   4  -9.943   7.142  -2.501
   28    HG   LEU   4           HG       LEU   4 -12.138   9.165  -2.023
   29   HD11  LEU   4          HD11      LEU   4 -12.904   8.522  -4.263
   30   HD12  LEU   4          HD12      LEU   4 -11.458   7.532  -4.465
   31   HD13  LEU   4          HD13      LEU   4 -11.314   9.283  -4.299
   32   HD21  LEU   4          HD21      LEU   4 -12.537   7.016  -0.918
   33   HD22  LEU   4          HD22      LEU   4 -12.269   6.180  -2.447
   34   HD23  LEU   4          HD23      LEU   4 -13.645   7.268  -2.267
   35    H    LEU   5           HN       LEU   5  -8.648   5.890  -0.522
   36    HA   LEU   5           HA       LEU   5  -6.196   7.052   0.497
   37    HB2  LEU   5           HB2      LEU   5  -7.212   4.635   0.806
   38    HB3  LEU   5           HB1      LEU   5  -6.422   4.318  -0.722
   39    HG   LEU   5           HG       LEU   5  -5.054   5.157   1.846
   40   HD11  LEU   5          HD11      LEU   5  -4.110   2.893   1.763
   41   HD12  LEU   5          HD12      LEU   5  -5.084   2.545   0.333
   42   HD13  LEU   5          HD13      LEU   5  -5.869   2.866   1.881
   43   HD21  LEU   5          HD21      LEU   5  -3.892   6.050  -0.121
   44   HD22  LEU   5          HD22      LEU   5  -3.848   4.433  -0.824
   45   HD23  LEU   5          HD23      LEU   5  -2.960   4.771   0.661
   46    H    THR   6           HN       THR   6  -4.759   8.077  -0.893
   47    HA   THR   6           HA       THR   6  -4.714   7.091  -3.676
   48    HB   THR   6           HB       THR   6  -4.076   9.331  -4.446
   49    HG1  THR   6           HG1      THR   6  -4.333   9.945  -1.673
   50   HG21  THR   6          HG21      THR   6  -6.438   8.716  -4.464
   51   HG22  THR   6          HG22      THR   6  -6.238  10.435  -4.135
   52   HG23  THR   6          HG23      THR   6  -6.618   9.326  -2.819
   53    H    THR   7           HN       THR   7  -2.551   8.087  -4.754
   54    HA   THR   7           HA       THR   7  -0.454   6.568  -3.721
   55    HB   THR   7           HB       THR   7  -0.157   8.966  -5.534
   56    HG1  THR   7           HG1      THR   7  -1.643   7.696  -6.539
   57   HG21  THR   7          HG21      THR   7   1.952   8.055  -4.710
   58   HG22  THR   7          HG22      THR   7   1.756   7.717  -6.429
   59   HG23  THR   7          HG23      THR   7   1.475   6.441  -5.244
   60    H    ASP   8           HN       ASP   8  -1.331   9.925  -3.147
   61    HA   ASP   8           HA       ASP   8   1.131  10.674  -1.941
   62    HB2  ASP   8           HB2      ASP   8  -0.462  12.334  -2.849
   63    HB3  ASP   8           HB1      ASP   8  -1.597  11.919  -1.567
   64    H    ASP   9           HN       ASP   9  -1.973   9.558  -0.675
   65    HA   ASP   9           HA       ASP   9  -1.332   9.691   2.059
   66    HB2  ASP   9           HB2      ASP   9  -3.152   7.693   0.703
   67    HB3  ASP   9           HB1      ASP   9  -3.178   8.146   2.402
   68    H    LEU  10           HN       LEU  10  -1.050   7.089  -0.309
   69    HA   LEU  10           HA       LEU  10  -0.016   5.121   1.397
   70    HB2  LEU  10           HB2      LEU  10  -0.919   4.837  -0.950
   71    HB3  LEU  10           HB1      LEU  10   0.610   5.456  -1.537
   72    HG   LEU  10           HG       LEU  10   1.762   3.549  -0.437
   73   HD11  LEU  10          HD11      LEU  10   0.438   1.649   0.329
   74   HD12  LEU  10          HD12      LEU  10  -1.046   2.567   0.066
   75   HD13  LEU  10          HD13      LEU  10   0.106   3.086   1.298
   76   HD21  LEU  10          HD21      LEU  10   1.032   1.862  -2.059
   77   HD22  LEU  10          HD22      LEU  10   1.188   3.453  -2.802
   78   HD23  LEU  10          HD23      LEU  10  -0.409   2.820  -2.403
   79    H    ARG  11           HN       ARG  11   1.552   7.629  -0.526
   80    HA   ARG  11           HA       ARG  11   4.212   6.952  -0.240
   81    HB2  ARG  11           HB2      ARG  11   3.396   8.762  -1.664
   82    HB3  ARG  11           HB1      ARG  11   2.961   9.703  -0.245
   83    HG2  ARG  11           HG2      ARG  11   5.300   9.895   0.375
   84    HG3  ARG  11           HG1      ARG  11   5.762   8.867  -0.985
   85    HD2  ARG  11           HD2      ARG  11   6.127  11.199  -1.532
   86    HD3  ARG  11           HD1      ARG  11   4.849  10.529  -2.539
   87    HE   ARG  11           HE       ARG  11   3.258  11.686  -1.050
   88   HH11  ARG  11          HH11      ARG  11   6.582  12.757  -1.135
   89   HH12  ARG  11          HH12      ARG  11   6.218  14.379  -0.620
   90   HH21  ARG  11          HH21      ARG  11   2.744  13.822  -0.406
   91   HH22  ARG  11          HH22      ARG  11   4.027  14.985  -0.213
   92    H    ARG  12           HN       ARG  12   2.118   8.684   2.034
   93    HA   ARG  12           HA       ARG  12   4.251   9.149   3.900
   94    HB2  ARG  12           HB2      ARG  12   1.444   9.854   3.683
   95    HB3  ARG  12           HB1      ARG  12   1.863   9.355   5.311
   96    HG2  ARG  12           HG2      ARG  12   3.777  11.000   5.180
   97    HG3  ARG  12           HG1      ARG  12   3.029  11.604   3.702
   98    HD2  ARG  12           HD2      ARG  12   2.340  12.965   5.578
   99    HD3  ARG  12           HD1      ARG  12   0.962  12.050   4.965
  100    HE   ARG  12           HE       ARG  12   1.827  10.453   6.941
  101   HH11  ARG  12          HH11      ARG  12   1.242  13.919   6.874
  102   HH12  ARG  12          HH12      ARG  12   0.762  13.989   8.547
  103   HH21  ARG  12          HH21      ARG  12   1.240  10.548   9.128
  104   HH22  ARG  12          HH22      ARG  12   0.773  12.070   9.838
  105    H    ALA  13           HN       ALA  13   1.719   6.747   3.496
  106    HA   ALA  13           HA       ALA  13   1.746   5.658   6.073
  107    HB1  ALA  13           HB1      ALA  13   0.602   3.753   5.117
  108    HB2  ALA  13           HB2      ALA  13   1.105   4.234   3.497
  109    HB3  ALA  13           HB3      ALA  13  -0.013   5.248   4.411
  110    H    LEU  14           HN       LEU  14   3.762   4.940   3.270
  111    HA   LEU  14           HA       LEU  14   4.991   2.636   4.439
  112    HB2  LEU  14           HB2      LEU  14   5.556   4.335   2.040
  113    HB3  LEU  14           HB1      LEU  14   6.762   3.195   2.595
  114    HG   LEU  14           HG       LEU  14   5.466   2.219   0.797
  115   HD11  LEU  14          HD11      LEU  14   4.738   0.966   3.439
  116   HD12  LEU  14          HD12      LEU  14   6.245   0.718   2.559
  117   HD13  LEU  14          HD13      LEU  14   4.719   0.166   1.868
  118   HD21  LEU  14          HD21      LEU  14   3.407   3.522   1.077
  119   HD22  LEU  14          HD22      LEU  14   3.040   2.611   2.542
  120   HD23  LEU  14          HD23      LEU  14   3.086   1.791   0.981
  121    H    VAL  15           HN       VAL  15   5.545   6.054   4.613
  122    HA   VAL  15           HA       VAL  15   8.248   5.753   5.634
  123    HB   VAL  15           HB       VAL  15   6.555   8.248   5.388
  124   HG11  VAL  15          HG11      VAL  15   8.281   8.591   7.028
  125   HG12  VAL  15          HG12      VAL  15   8.722   9.444   5.549
  126   HG13  VAL  15          HG13      VAL  15   9.503   7.914   5.951
  127   HG21  VAL  15          HG21      VAL  15   6.941   7.295   3.215
  128   HG22  VAL  15          HG22      VAL  15   8.662   7.108   3.553
  129   HG23  VAL  15          HG23      VAL  15   7.960   8.721   3.406
  130    H    GLU  16           HN       GLU  16   5.025   6.105   6.867
  131    HA   GLU  16           HA       GLU  16   5.924   6.784   9.531
  132    HB2  GLU  16           HB2      GLU  16   3.188   6.104   8.442
  133    HB3  GLU  16           HB1      GLU  16   3.503   6.572  10.109
  134    HG2  GLU  16           HG2      GLU  16   4.264   8.738   9.418
  135    HG3  GLU  16           HG1      GLU  16   4.157   8.281   7.720
  136    H    SER  17           HN       SER  17   5.309   3.945   7.712
  137    HA   SER  17           HA       SER  17   5.105   2.251  10.060
  138    HB2  SER  17           HB2      SER  17   5.087   0.410   8.281
  139    HB3  SER  17           HB1      SER  17   3.731   1.537   8.275
  140    HG   SER  17           HG       SER  17   4.410   2.392   6.439
  141    H    ALA  18           HN       ALA  18   7.239   2.255   7.201
  142    HA   ALA  18           HA       ALA  18   9.297   0.857   8.672
  143    HB1  ALA  18           HB1      ALA  18   8.850   0.343   6.306
  144    HB2  ALA  18           HB2      ALA  18  10.521   0.843   6.569
  145    HB3  ALA  18           HB3      ALA  18   9.362   1.972   5.866
  146    H    GLY  19           HN       GLY  19   9.394   3.841   6.734
  147    HA2  GLY  19           HA2      GLY  19  10.003   5.972   7.483
  148    HA3  GLY  19           HA1      GLY  19  10.593   5.258   8.971
  149    H    GLU  20           HN       GLU  20  11.973   7.201   7.755
  150    HA   GLU  20           HA       GLU  20  14.053   7.823   7.132
  151    HB2  GLU  20           HB2      GLU  20  14.789   4.976   7.815
  152    HB3  GLU  20           HB1      GLU  20  15.901   6.331   7.657
  153    HG2  GLU  20           HG2      GLU  20  14.717   7.453   9.514
  154    HG3  GLU  20           HG1      GLU  20  13.744   5.996   9.724
  155    H    THR  21           HN       THR  21  13.620   8.211   4.955
  156    HA   THR  21           HA       THR  21  14.318   6.051   3.102
  157    HB   THR  21           HB       THR  21  13.452   7.667   1.352
  158    HG1  THR  21           HG1      THR  21  13.513   9.595   2.490
  159   HG21  THR  21          HG21      THR  21  11.076   7.230   1.896
  160   HG22  THR  21          HG22      THR  21  11.565   6.730   3.516
  161   HG23  THR  21          HG23      THR  21  12.095   5.806   2.110
  162    H    ASP  22           HN       ASP  22  16.571   6.273   3.716
  163    HA   ASP  22           HA       ASP  22  18.038   8.648   3.115
  164    HB2  ASP  22           HB2      ASP  22  18.872   5.805   3.670
  165    HB3  ASP  22           HB1      ASP  22  20.037   7.065   3.286
  166    H    GLY  23           HN       GLY  23  17.195   5.744   1.360
  167    HA2  GLY  23           HA2      GLY  23  17.986   6.999  -1.131
  168    HA3  GLY  23           HA1      GLY  23  18.890   5.548  -0.710
  169    H    THR  24           HN       THR  24  15.487   6.553  -0.563
  170    HA   THR  24           HA       THR  24  14.700   4.305  -2.222
  171    HB   THR  24           HB       THR  24  13.508   4.559   0.543
  172    HG1  THR  24           HG1      THR  24  15.700   2.995  -0.374
  173   HG21  THR  24          HG21      THR  24  13.465   2.293  -1.454
  174   HG22  THR  24          HG22      THR  24  12.155   3.443  -1.199
  175   HG23  THR  24          HG23      THR  24  12.626   2.344   0.096
  176    H    ASP  25           HN       ASP  25  13.929   5.924  -3.623
  177    HA   ASP  25           HA       ASP  25  12.203   8.005  -2.666
  178    HB2  ASP  25           HB2      ASP  25  13.217   7.229  -5.381
  179    HB3  ASP  25           HB1      ASP  25  11.946   8.433  -5.203
  180    H    LEU  26           HN       LEU  26  10.318   7.187  -1.885
  181    HA   LEU  26           HA       LEU  26   8.553   5.871  -3.836
  182    HB2  LEU  26           HB2      LEU  26   8.490   6.120  -0.854
  183    HB3  LEU  26           HB1      LEU  26   6.987   5.892  -1.724
  184    HG   LEU  26           HG       LEU  26   8.052   3.820  -2.747
  185   HD11  LEU  26          HD11      LEU  26   9.871   2.803  -1.473
  186   HD12  LEU  26          HD12      LEU  26  10.015   4.275  -0.509
  187   HD13  LEU  26          HD13      LEU  26  10.362   4.313  -2.238
  188   HD21  LEU  26          HD21      LEU  26   6.339   3.722  -1.026
  189   HD22  LEU  26          HD22      LEU  26   7.566   3.893   0.230
  190   HD23  LEU  26          HD23      LEU  26   7.541   2.452  -0.790
  191    H    SER  27           HN       SER  27   9.478   8.740  -3.684
  192    HA   SER  27           HA       SER  27   6.906  10.097  -3.264
  193    HB2  SER  27           HB2      SER  27   9.219  10.797  -2.195
  194    HB3  SER  27           HB1      SER  27   9.472  11.563  -3.763
  195    HG   SER  27           HG       SER  27   8.513  12.997  -2.270
  196    H    GLY  28           HN       GLY  28   7.513   8.447  -5.582
  197    HA2  GLY  28           HA2      GLY  28   6.860  10.400  -7.635
  198    HA3  GLY  28           HA1      GLY  28   8.333   9.475  -7.901
  199    H    ASP  29           HN       ASP  29   7.456   8.516  -9.771
  200    HA   ASP  29           HA       ASP  29   5.013   7.028  -9.683
  201    HB2  ASP  29           HB2      ASP  29   7.233   6.843 -11.735
  202    HB3  ASP  29           HB1      ASP  29   5.576   6.283 -11.922
  203    H    PHE  30           HN       PHE  30   5.437   5.669  -7.833
  204    HA   PHE  30           HA       PHE  30   7.297   3.461  -8.398
  205    HB2  PHE  30           HB2      PHE  30   7.323   2.977  -6.041
  206    HB3  PHE  30           HB1      PHE  30   7.625   4.693  -6.256
  207    HD1  PHE  30           HD2      PHE  30   5.795   6.323  -5.776
  208    HD2  PHE  30           HD1      PHE  30   5.489   2.197  -4.776
  209    HE1  PHE  30           HE2      PHE  30   3.957   6.840  -4.222
  210    HE2  PHE  30           HE1      PHE  30   3.650   2.707  -3.224
  211    HZ   PHE  30           HZ       PHE  30   2.926   5.009  -2.890
  212    H    LEU  31           HN       LEU  31   4.069   4.255  -8.518
  213    HA   LEU  31           HA       LEU  31   2.672   2.069  -7.540
  214    HB2  LEU  31           HB2      LEU  31   2.071   3.724  -9.985
  215    HB3  LEU  31           HB1      LEU  31   0.940   2.627  -9.224
  216    HG   LEU  31           HG       LEU  31   2.085   5.121  -7.960
  217   HD11  LEU  31          HD11      LEU  31   0.474   5.522  -9.782
  218   HD12  LEU  31          HD12      LEU  31  -0.161   5.994  -8.206
  219   HD13  LEU  31          HD13      LEU  31  -0.687   4.484  -8.952
  220   HD21  LEU  31          HD21      LEU  31   0.419   4.697  -6.202
  221   HD22  LEU  31          HD22      LEU  31   1.624   3.411  -6.293
  222   HD23  LEU  31          HD23      LEU  31   0.014   3.163  -6.976
  223    H    ASP  32           HN       ASP  32   4.716   2.209 -10.302
  224    HA   ASP  32           HA       ASP  32   3.378  -0.003 -11.645
  225    HB2  ASP  32           HB2      ASP  32   4.157   2.099 -12.831
  226    HB3  ASP  32           HB1      ASP  32   5.804   1.532 -12.577
  227    H    LEU  33           HN       LEU  33   6.027   0.529  -9.566
  228    HA   LEU  33           HA       LEU  33   7.515  -1.793 -10.512
  229    HB2  LEU  33           HB2      LEU  33   8.160   0.067  -8.226
  230    HB3  LEU  33           HB1      LEU  33   9.231  -1.122  -8.943
  231    HG   LEU  33           HG       LEU  33   8.227   1.421 -10.214
  232   HD11  LEU  33          HD11      LEU  33  10.042   1.718  -8.622
  233   HD12  LEU  33          HD12      LEU  33  10.588   2.019 -10.272
  234   HD13  LEU  33          HD13      LEU  33  10.999   0.503  -9.469
  235   HD21  LEU  33          HD21      LEU  33   9.924  -0.754 -11.438
  236   HD22  LEU  33          HD22      LEU  33   9.550   0.806 -12.171
  237   HD23  LEU  33          HD23      LEU  33   8.262  -0.361 -11.877
  238    H    ARG  34           HN       ARG  34   8.153  -3.484  -9.008
  239    HA   ARG  34           HA       ARG  34   5.970  -4.385  -7.400
  240    HB2  ARG  34           HB2      ARG  34   8.721  -5.410  -7.973
  241    HB3  ARG  34           HB1      ARG  34   7.792  -6.110  -6.656
  242    HG2  ARG  34           HG2      ARG  34   5.989  -6.624  -8.258
  243    HG3  ARG  34           HG1      ARG  34   7.015  -6.016  -9.561
  244    HD2  ARG  34           HD2      ARG  34   8.588  -7.736  -9.269
  245    HD3  ARG  34           HD1      ARG  34   7.947  -8.168  -7.687
  246    HE   ARG  34           HE       ARG  34   5.897  -8.578  -9.519
  247   HH11  ARG  34          HH11      ARG  34   9.109  -9.823  -8.850
  248   HH12  ARG  34          HH12      ARG  34   8.766 -11.405  -9.481
  249   HH21  ARG  34          HH21      ARG  34   5.440 -10.688 -10.318
  250   HH22  ARG  34          HH22      ARG  34   6.684 -11.901 -10.296
  251    H    PHE  35           HN       PHE  35   5.714  -4.435  -5.214
  252    HA   PHE  35           HA       PHE  35   6.890  -2.592  -3.511
  253    HB2  PHE  35           HB2      PHE  35   5.601  -5.254  -2.882
  254    HB3  PHE  35           HB1      PHE  35   6.083  -4.103  -1.643
  255    HD1  PHE  35           HD2      PHE  35   5.043  -1.780  -1.711
  256    HD2  PHE  35           HD1      PHE  35   3.522  -5.086  -3.919
  257    HE1  PHE  35           HE2      PHE  35   2.867  -0.648  -1.900
  258    HE2  PHE  35           HE1      PHE  35   1.339  -3.955  -4.112
  259    HZ   PHE  35           HZ       PHE  35   1.019  -1.732  -3.100
  260    H    GLU  36           HN       GLU  36   7.618  -6.056  -3.753
  261    HA   GLU  36           HA       GLU  36   9.722  -6.132  -1.926
  262    HB2  GLU  36           HB2      GLU  36   9.494  -7.880  -4.374
  263    HB3  GLU  36           HB1      GLU  36  10.252  -8.278  -2.838
  264    HG2  GLU  36           HG2      GLU  36   7.313  -7.895  -3.359
  265    HG3  GLU  36           HG1      GLU  36   8.142  -9.411  -3.009
  266    H    ASP  37           HN       ASP  37   9.648  -4.902  -5.137
  267    HA   ASP  37           HA       ASP  37  12.461  -5.342  -5.648
  268    HB2  ASP  37           HB2      ASP  37  10.717  -5.461  -7.440
  269    HB3  ASP  37           HB1      ASP  37  10.485  -3.726  -7.262
  270    H    ILE  38           HN       ILE  38  10.396  -2.759  -4.523
  271    HA   ILE  38           HA       ILE  38  12.543  -0.811  -4.794
  272    HB   ILE  38           HB       ILE  38  10.937   0.823  -3.853
  273   HG12  ILE  38          HG12      ILE  38   8.998  -1.503  -3.932
  274   HG13  ILE  38          HG11      ILE  38   9.608  -0.729  -2.476
  275   HG21  ILE  38          HG21      ILE  38   9.939  -0.772  -6.201
  276   HG22  ILE  38          HG22      ILE  38  11.120   0.536  -6.246
  277   HG23  ILE  38          HG23      ILE  38   9.447   0.873  -5.799
  278   HD11  ILE  38          HD11      ILE  38   7.895   0.575  -4.576
  279   HD12  ILE  38          HD12      ILE  38   8.507   1.351  -3.116
  280   HD13  ILE  38          HD13      ILE  38   7.358   0.019  -2.990
  281    H    GLY  39           HN       GLY  39  12.412  -3.200  -2.846
  282    HA2  GLY  39           HA2      GLY  39  13.958  -3.380  -1.069
  283    HA3  GLY  39           HA1      GLY  39  13.750  -1.667  -0.746
  284    H    TYR  40           HN       TYR  40  11.183  -4.102  -1.057
  285    HA   TYR  40           HA       TYR  40  10.699  -3.792   1.825
  286    HB2  TYR  40           HB2      TYR  40   8.688  -3.707  -0.412
  287    HB3  TYR  40           HB1      TYR  40   8.213  -4.125   1.235
  288    HD1  TYR  40           HD2      TYR  40   8.483  -2.453   3.055
  289    HD2  TYR  40           HD1      TYR  40   9.185  -1.455  -1.021
  290    HE1  TYR  40           HE2      TYR  40   8.346  -0.066   3.621
  291    HE2  TYR  40           HE1      TYR  40   9.053   0.938  -0.465
  292    HH   TYR  40           HH       TYR  40   9.136   2.079   2.720
  293    H    ASP  41           HN       ASP  41   9.525  -5.544   2.812
  294    HA   ASP  41           HA       ASP  41   9.881  -8.116   1.418
  295    HB2  ASP  41           HB2      ASP  41  10.127  -7.672   4.405
  296    HB3  ASP  41           HB1      ASP  41  10.429  -9.168   3.535
  297    H    SER  42           HN       SER  42   8.357  -9.768   2.069
  298    HA   SER  42           HA       SER  42   5.713  -9.100   2.208
  299    HB2  SER  42           HB2      SER  42   5.713 -11.503   3.488
  300    HB3  SER  42           HB1      SER  42   5.912 -11.315   1.744
  301    H    LEU  43           HN       LEU  43   7.903  -9.677   4.934
  302    HA   LEU  43           HA       LEU  43   6.074  -9.467   7.023
  303    HB2  LEU  43           HB2      LEU  43   8.398 -10.196   7.310
  304    HB3  LEU  43           HB1      LEU  43   8.963  -8.573   6.960
  305    HG   LEU  43           HG       LEU  43   7.801  -7.765   8.995
  306   HD11  LEU  43          HD11      LEU  43   6.079  -9.482   9.155
  307   HD12  LEU  43          HD12      LEU  43   7.015  -9.386  10.645
  308   HD13  LEU  43          HD13      LEU  43   7.308 -10.699   9.504
  309   HD21  LEU  43          HD21      LEU  43  10.165  -8.322   9.054
  310   HD22  LEU  43          HD22      LEU  43   9.773 -10.000   9.435
  311   HD23  LEU  43          HD23      LEU  43   9.390  -8.719  10.587
  312    H    ALA  44           HN       ALA  44   8.148  -6.859   5.712
  313    HA   ALA  44           HA       ALA  44   6.985  -4.806   7.244
  314    HB1  ALA  44           HB1      ALA  44   8.405  -4.616   4.594
  315    HB2  ALA  44           HB2      ALA  44   9.159  -4.545   6.188
  316    HB3  ALA  44           HB3      ALA  44   8.061  -3.263   5.669
  317    H    LEU  45           HN       LEU  45   6.181  -6.140   4.094
  318    HA   LEU  45           HA       LEU  45   4.417  -4.137   3.237
  319    HB2  LEU  45           HB2      LEU  45   5.401  -5.949   1.831
  320    HB3  LEU  45           HB1      LEU  45   4.300  -7.082   2.591
  321    HG   LEU  45           HG       LEU  45   2.391  -5.784   1.687
  322   HD11  LEU  45          HD11      LEU  45   2.804  -4.139  -0.077
  323   HD12  LEU  45          HD12      LEU  45   4.537  -4.243   0.237
  324   HD13  LEU  45          HD13      LEU  45   3.451  -3.612   1.475
  325   HD21  LEU  45          HD21      LEU  45   2.702  -6.485  -0.656
  326   HD22  LEU  45          HD22      LEU  45   3.162  -7.733   0.502
  327   HD23  LEU  45          HD23      LEU  45   4.407  -6.787  -0.316
  328    H    MET  46           HN       MET  46   3.769  -7.198   4.962
  329    HA   MET  46           HA       MET  46   0.968  -6.785   5.052
  330    HB2  MET  46           HB2      MET  46   0.878  -8.657   6.585
  331    HB3  MET  46           HB1      MET  46   1.983  -9.020   5.269
  332    HG2  MET  46           HG2      MET  46   3.194  -9.803   7.016
  333    HG3  MET  46           HG1      MET  46   3.770  -8.140   6.990
  334    HE1  MET  46           HE1      MET  46   0.279  -9.469   8.241
  335    HE2  MET  46           HE2      MET  46   0.615  -9.730   9.955
  336    HE3  MET  46           HE3      MET  46   1.411 -10.727   8.740
  337    H    GLU  47           HN       GLU  47   3.576  -5.944   7.287
  338    HA   GLU  47           HA       GLU  47   1.919  -5.050   9.395
  339    HB2  GLU  47           HB2      GLU  47   4.726  -4.241   8.620
  340    HB3  GLU  47           HB1      GLU  47   3.932  -3.706  10.094
  341    HG2  GLU  47           HG2      GLU  47   3.680  -6.115  10.726
  342    HG3  GLU  47           HG1      GLU  47   4.682  -6.517   9.332
  343    H    THR  48           HN       THR  48   3.094  -3.502   6.474
  344    HA   THR  48           HA       THR  48   2.309  -0.868   7.094
  345    HB   THR  48           HB       THR  48   2.501  -2.150   4.360
  346    HG1  THR  48           HG1      THR  48   4.473  -2.294   5.541
  347   HG21  THR  48          HG21      THR  48   2.651   0.743   5.209
  348   HG22  THR  48          HG22      THR  48   1.308  -0.012   4.351
  349   HG23  THR  48          HG23      THR  48   2.884   0.132   3.570
  350    H    ALA  49           HN       ALA  49   0.547  -3.608   5.787
  351    HA   ALA  49           HA       ALA  49  -1.676  -2.323   4.722
  352    HB1  ALA  49           HB1      ALA  49  -1.581  -4.993   6.119
  353    HB2  ALA  49           HB2      ALA  49  -1.204  -4.699   4.422
  354    HB3  ALA  49           HB3      ALA  49  -2.845  -4.443   5.017
  355    H    ALA  50           HN       ALA  50  -1.009  -3.303   8.038
  356    HA   ALA  50           HA       ALA  50  -3.563  -2.802   9.108
  357    HB1  ALA  50           HB1      ALA  50  -2.466  -2.871  11.279
  358    HB2  ALA  50           HB2      ALA  50  -0.890  -2.720  10.500
  359    HB3  ALA  50           HB3      ALA  50  -1.869  -4.164  10.238
  360    H    ARG  51           HN       ARG  51  -0.911  -0.751   8.299
  361    HA   ARG  51           HA       ARG  51  -1.643   1.468   9.924
  362    HB2  ARG  51           HB2      ARG  51   0.098   1.257   7.469
  363    HB3  ARG  51           HB1      ARG  51  -0.091   2.725   8.409
  364    HG2  ARG  51           HG2      ARG  51   0.903   0.144   9.575
  365    HG3  ARG  51           HG1      ARG  51   1.966   1.368   8.887
  366    HD2  ARG  51           HD2      ARG  51   1.906   1.669  11.259
  367    HD3  ARG  51           HD1      ARG  51   1.039   3.006  10.514
  368    HE   ARG  51           HE       ARG  51  -1.019   1.577  11.092
  369   HH11  ARG  51          HH11      ARG  51   1.914   1.748  12.989
  370   HH12  ARG  51          HH12      ARG  51   1.102   1.407  14.495
  371   HH21  ARG  51          HH21      ARG  51  -2.089   1.168  13.098
  372   HH22  ARG  51          HH22      ARG  51  -1.151   1.099  14.554
  373    H    LEU  52           HN       LEU  52  -2.348   0.470   6.624
  374    HA   LEU  52           HA       LEU  52  -3.730   2.862   5.902
  375    HB2  LEU  52           HB2      LEU  52  -3.953   0.084   4.726
  376    HB3  LEU  52           HB1      LEU  52  -4.566   1.554   3.990
  377    HG   LEU  52           HG       LEU  52  -1.652   0.961   4.512
  378   HD11  LEU  52          HD11      LEU  52  -2.595  -0.459   2.767
  379   HD12  LEU  52          HD12      LEU  52  -1.489   0.734   2.086
  380   HD13  LEU  52          HD13      LEU  52  -3.232   0.964   1.943
  381   HD21  LEU  52          HD21      LEU  52  -1.253   2.970   3.160
  382   HD22  LEU  52          HD22      LEU  52  -2.162   3.342   4.627
  383   HD23  LEU  52          HD23      LEU  52  -2.995   3.252   3.075
  384    H    GLU  53           HN       GLU  53  -4.742  -0.353   6.964
  385    HA   GLU  53           HA       GLU  53  -7.494   0.063   6.813
  386    HB2  GLU  53           HB2      GLU  53  -6.006  -1.738   8.722
  387    HB3  GLU  53           HB1      GLU  53  -7.708  -1.860   8.300
  388    HG2  GLU  53           HG2      GLU  53  -7.065  -2.303   5.953
  389    HG3  GLU  53           HG1      GLU  53  -5.373  -2.264   6.444
  390    H    SER  54           HN       SER  54  -5.277   0.571   9.554
  391    HA   SER  54           HA       SER  54  -7.281   1.234  11.415
  392    HB2  SER  54           HB2      SER  54  -5.359   2.308  12.690
  393    HB3  SER  54           HB1      SER  54  -5.176   0.601  12.293
  394    HG   SER  54           HG       SER  54  -3.726   1.097  10.739
  395    H    ARG  55           HN       ARG  55  -5.573   3.195   9.062
  396    HA   ARG  55           HA       ARG  55  -6.281   5.709  10.202
  397    HB2  ARG  55           HB2      ARG  55  -4.356   5.513   8.719
  398    HB3  ARG  55           HB1      ARG  55  -5.400   5.017   7.391
  399    HG2  ARG  55           HG2      ARG  55  -6.468   7.198   7.382
  400    HG3  ARG  55           HG1      ARG  55  -5.486   7.699   8.760
  401    HD2  ARG  55           HD2      ARG  55  -4.323   6.820   6.123
  402    HD3  ARG  55           HD1      ARG  55  -4.688   8.500   6.514
  403    HE   ARG  55           HE       ARG  55  -3.115   7.528   8.573
  404   HH11  ARG  55          HH11      ARG  55  -2.774   8.015   5.119
  405   HH12  ARG  55          HH12      ARG  55  -1.082   8.376   5.210
  406   HH21  ARG  55          HH21      ARG  55  -0.888   7.976   8.698
  407   HH22  ARG  55          HH22      ARG  55   0.004   8.353   7.252
  408    H    TYR  56           HN       TYR  56  -7.661   3.762   7.572
  409    HA   TYR  56           HA       TYR  56  -9.707   5.821   7.169
  410    HB2  TYR  56           HB2      TYR  56  -9.015   3.399   5.497
  411    HB3  TYR  56           HB1      TYR  56 -10.209   4.622   5.072
  412    HD1  TYR  56           HD2      TYR  56  -9.495   6.884   4.431
  413    HD2  TYR  56           HD1      TYR  56  -6.647   3.828   5.263
  414    HE1  TYR  56           HE2      TYR  56  -7.734   8.236   3.369
  415    HE2  TYR  56           HE1      TYR  56  -4.889   5.173   4.205
  416    HH   TYR  56           HH       TYR  56  -5.414   8.475   3.242
  417    H    GLY  57           HN       GLY  57  -9.327   2.776   8.651
  418    HA2  GLY  57           HA2      GLY  57 -10.887   1.573   9.887
  419    HA3  GLY  57           HA1      GLY  57 -12.135   2.680   9.322
  420    H    VAL  58           HN       VAL  58  -9.886   0.723   7.410
  421    HA   VAL  58           HA       VAL  58 -12.229  -0.491   6.110
  422    HB   VAL  58           HB       VAL  58 -10.804  -0.884   4.145
  423   HG11  VAL  58          HG11      VAL  58 -12.116   1.160   4.256
  424   HG12  VAL  58          HG12      VAL  58 -10.592   1.441   3.414
  425   HG13  VAL  58          HG13      VAL  58 -10.790   1.978   5.083
  426   HG21  VAL  58          HG21      VAL  58  -8.642  -1.053   5.295
  427   HG22  VAL  58          HG22      VAL  58  -8.702   0.673   5.654
  428   HG23  VAL  58          HG23      VAL  58  -8.587   0.122   3.982
  429    H    SER  59           HN       SER  59 -11.181  -2.585   4.804
  430    HA   SER  59           HA       SER  59  -9.447  -4.152   6.495
  431    HB2  SER  59           HB2      SER  59 -12.286  -5.015   5.874
  432    HB3  SER  59           HB1      SER  59 -11.056  -6.040   6.602
  433    HG   SER  59           HG       SER  59 -11.209  -3.738   7.968
  434    H    ILE  60           HN       ILE  60  -8.165  -5.389   5.251
  435    HA   ILE  60           HA       ILE  60  -8.724  -5.440   2.373
  436    HB   ILE  60           HB       ILE  60  -6.199  -6.157   3.882
  437   HG12  ILE  60          HG12      ILE  60  -6.942  -3.686   2.295
  438   HG13  ILE  60          HG11      ILE  60  -6.776  -3.773   4.042
  439   HG21  ILE  60          HG21      ILE  60  -6.343  -7.356   1.775
  440   HG22  ILE  60          HG22      ILE  60  -5.113  -6.096   1.681
  441   HG23  ILE  60          HG23      ILE  60  -6.685  -5.852   0.920
  442   HD11  ILE  60          HD11      ILE  60  -4.574  -4.127   2.020
  443   HD12  ILE  60          HD12      ILE  60  -4.389  -4.289   3.765
  444   HD13  ILE  60          HD13      ILE  60  -4.835  -2.730   3.067
  445    HA   PRO  61           HA       PRO  61 -10.211  -9.626   2.844
  446    HB2  PRO  61           HB2      PRO  61 -10.176  -9.645  -0.098
  447    HB3  PRO  61           HB1      PRO  61 -11.537  -9.841   1.010
  448    HG2  PRO  61           HG2      PRO  61 -11.228  -7.615  -0.453
  449    HG3  PRO  61           HG1      PRO  61 -11.890  -7.567   1.191
  450    HD2  PRO  61           HD2      PRO  61  -9.122  -6.912   0.245
  451    HD3  PRO  61           HD1      PRO  61 -10.138  -6.059   1.428
  452    H    ASP  62           HN       ASP  62  -9.319 -11.602   2.831
  453    HA   ASP  62           HA       ASP  62  -6.567 -11.931   2.571
  454    HB2  ASP  62           HB2      ASP  62  -8.666 -14.105   2.503
  455    HB3  ASP  62           HB1      ASP  62  -6.976 -14.299   2.954
  456    H    ASP  63           HN       ASP  63  -9.051 -12.309   0.170
  457    HA   ASP  63           HA       ASP  63  -7.584 -14.101  -1.505
  458    HB2  ASP  63           HB2      ASP  63 -10.112 -12.527  -1.807
  459    HB3  ASP  63           HB1      ASP  63  -9.365 -13.238  -3.234
  460    H    VAL  64           HN       VAL  64  -8.509 -10.675  -1.936
  461    HA   VAL  64           HA       VAL  64  -6.908 -10.474  -4.284
  462    HB   VAL  64           HB       VAL  64  -7.982  -8.132  -2.733
  463   HG11  VAL  64          HG11      VAL  64  -6.476  -7.604  -4.573
  464   HG12  VAL  64          HG12      VAL  64  -8.126  -7.116  -4.967
  465   HG13  VAL  64          HG13      VAL  64  -7.448  -8.585  -5.668
  466   HG21  VAL  64          HG21      VAL  64  -9.455  -9.866  -4.709
  467   HG22  VAL  64          HG22      VAL  64 -10.042  -8.339  -4.052
  468   HG23  VAL  64          HG23      VAL  64  -9.800  -9.723  -2.984
  469    H    ALA  65           HN       ALA  65  -6.308 -10.014  -0.923
  470    HA   ALA  65           HA       ALA  65  -4.292  -8.077  -1.004
  471    HB1  ALA  65           HB1      ALA  65  -4.544 -10.357   0.949
  472    HB2  ALA  65           HB2      ALA  65  -5.407  -8.823   1.059
  473    HB3  ALA  65           HB3      ALA  65  -3.650  -8.857   1.194
  474    H    GLY  66           HN       GLY  66  -4.159 -11.550  -1.452
  475    HA2  GLY  66           HA2      GLY  66  -1.243 -11.493  -1.616
  476    HA3  GLY  66           HA1      GLY  66  -2.262 -12.926  -1.654
  477    H    ARG  67           HN       ARG  67  -3.649 -10.790  -3.724
  478    HA   ARG  67           HA       ARG  67  -2.363 -12.150  -5.984
  479    HB2  ARG  67           HB2      ARG  67  -5.043 -10.778  -5.801
  480    HB3  ARG  67           HB1      ARG  67  -4.393 -11.510  -7.262
  481    HG2  ARG  67           HG2      ARG  67  -4.295 -13.680  -6.043
  482    HG3  ARG  67           HG1      ARG  67  -5.131 -12.898  -4.701
  483    HD2  ARG  67           HD2      ARG  67  -6.975 -12.324  -6.248
  484    HD3  ARG  67           HD1      ARG  67  -6.153 -13.228  -7.517
  485    HE   ARG  67           HE       ARG  67  -6.631 -14.756  -5.126
  486   HH11  ARG  67          HH11      ARG  67  -7.891 -13.771  -8.253
  487   HH12  ARG  67          HH12      ARG  67  -9.108 -15.017  -8.300
  488   HH21  ARG  67          HH21      ARG  67  -8.194 -16.403  -5.191
  489   HH22  ARG  67          HH22      ARG  67  -9.281 -16.514  -6.547
  490    H    VAL  68           HN       VAL  68  -2.051  -9.302  -4.434
  491    HA   VAL  68           HA       VAL  68  -1.885  -7.646  -6.814
  492    HB   VAL  68           HB       VAL  68  -1.192  -5.822  -5.335
  493   HG11  VAL  68          HG11      VAL  68  -3.618  -7.314  -4.347
  494   HG12  VAL  68          HG12      VAL  68  -3.563  -6.188  -5.703
  495   HG13  VAL  68          HG13      VAL  68  -3.277  -5.609  -4.062
  496   HG21  VAL  68          HG21      VAL  68  -1.133  -6.099  -2.914
  497   HG22  VAL  68          HG22      VAL  68   0.061  -7.143  -3.686
  498   HG23  VAL  68          HG23      VAL  68  -1.453  -7.826  -3.090
  499    H    ASP  69           HN       ASP  69   0.150  -6.278  -7.036
  500    HA   ASP  69           HA       ASP  69   2.595  -7.710  -6.379
  501    HB2  ASP  69           HB2      ASP  69   1.531  -8.602  -8.566
  502    HB3  ASP  69           HB1      ASP  69   2.002  -7.054  -9.259
  503    H    THR  70           HN       THR  70   1.189  -5.150  -8.377
  504    HA   THR  70           HA       THR  70   3.342  -3.345  -7.561
  505    HB   THR  70           HB       THR  70   2.450  -1.884  -9.415
  506    HG1  THR  70           HG1      THR  70   0.878  -2.667 -10.737
  507   HG21  THR  70          HG21      THR  70   4.384  -3.341  -9.771
  508   HG22  THR  70          HG22      THR  70   3.391  -3.248 -11.228
  509   HG23  THR  70          HG23      THR  70   3.308  -4.673 -10.193
  510    HA   PRO  71           HA       PRO  71   0.764  -0.931  -4.847
  511    HB2  PRO  71           HB2      PRO  71   1.962   1.426  -6.191
  512    HB3  PRO  71           HB1      PRO  71   1.911   1.013  -4.472
  513    HG2  PRO  71           HG2      PRO  71   4.166   0.747  -5.845
  514    HG3  PRO  71           HG1      PRO  71   3.689  -0.471  -4.642
  515    HD2  PRO  71           HD2      PRO  71   3.493  -0.581  -7.630
  516    HD3  PRO  71           HD1      PRO  71   3.974  -1.849  -6.484
  517    H    ARG  72           HN       ARG  72   0.899  -0.081  -8.266
  518    HA   ARG  72           HA       ARG  72  -1.280   1.651  -8.374
  519    HB2  ARG  72           HB2      ARG  72   0.452   0.795 -10.211
  520    HB3  ARG  72           HB1      ARG  72  -0.887  -0.270 -10.618
  521    HG2  ARG  72           HG2      ARG  72  -1.040   2.733 -10.490
  522    HG3  ARG  72           HG1      ARG  72  -0.863   1.780 -11.964
  523    HD2  ARG  72           HD2      ARG  72  -3.009   0.945 -11.835
  524    HD3  ARG  72           HD1      ARG  72  -3.121   1.221 -10.096
  525    HE   ARG  72           HE       ARG  72  -2.907   3.717 -11.190
  526   HH11  ARG  72          HH11      ARG  72  -5.067   0.998 -11.640
  527   HH12  ARG  72          HH12      ARG  72  -6.454   1.991 -11.967
  528   HH21  ARG  72          HH21      ARG  72  -4.732   5.026 -11.687
  529   HH22  ARG  72          HH22      ARG  72  -6.265   4.270 -11.999
  530    H    GLU  73           HN       GLU  73  -1.213  -1.883  -8.809
  531    HA   GLU  73           HA       GLU  73  -4.002  -2.125  -9.218
  532    HB2  GLU  73           HB2      GLU  73  -2.152  -4.282  -8.197
  533    HB3  GLU  73           HB1      GLU  73  -3.674  -4.499  -9.052
  534    HG2  GLU  73           HG2      GLU  73  -1.112  -3.393 -10.176
  535    HG3  GLU  73           HG1      GLU  73  -1.849  -4.951 -10.544
  536    H    LEU  74           HN       LEU  74  -1.948  -2.514  -6.362
  537    HA   LEU  74           HA       LEU  74  -3.879  -3.324  -4.514
  538    HB2  LEU  74           HB2      LEU  74  -1.507  -3.314  -3.989
  539    HB3  LEU  74           HB1      LEU  74  -1.454  -1.567  -4.122
  540    HG   LEU  74           HG       LEU  74  -3.011  -1.434  -2.181
  541   HD11  LEU  74          HD11      LEU  74  -2.475  -4.389  -2.008
  542   HD12  LEU  74          HD12      LEU  74  -4.023  -3.622  -2.356
  543   HD13  LEU  74          HD13      LEU  74  -3.277  -3.419  -0.771
  544   HD21  LEU  74          HD21      LEU  74  -0.392  -2.844  -1.722
  545   HD22  LEU  74          HD22      LEU  74  -1.332  -2.010  -0.484
  546   HD23  LEU  74          HD23      LEU  74  -0.654  -1.101  -1.833
  547    H    LEU  75           HN       LEU  75  -2.759  -0.036  -5.252
  548    HA   LEU  75           HA       LEU  75  -4.551   1.356  -3.645
  549    HB2  LEU  75           HB2      LEU  75  -2.527   2.256  -4.826
  550    HB3  LEU  75           HB1      LEU  75  -3.467   2.266  -6.306
  551    HG   LEU  75           HG       LEU  75  -5.103   3.781  -5.093
  552   HD11  LEU  75          HD11      LEU  75  -4.392   3.334  -2.825
  553   HD12  LEU  75          HD12      LEU  75  -4.182   5.044  -3.201
  554   HD13  LEU  75          HD13      LEU  75  -2.784   3.971  -3.184
  555   HD21  LEU  75          HD21      LEU  75  -3.619   4.634  -6.798
  556   HD22  LEU  75          HD22      LEU  75  -2.298   4.736  -5.636
  557   HD23  LEU  75          HD23      LEU  75  -3.704   5.783  -5.459
  558    H    ASP  76           HN       ASP  76  -4.822   0.422  -7.066
  559    HA   ASP  76           HA       ASP  76  -7.263   1.643  -7.648
  560    HB2  ASP  76           HB2      ASP  76  -5.808   0.721  -9.387
  561    HB3  ASP  76           HB1      ASP  76  -6.110  -0.910  -8.796
  562    H    LEU  77           HN       LEU  77  -6.617  -1.633  -6.454
  563    HA   LEU  77           HA       LEU  77  -9.281  -2.536  -6.475
  564    HB2  LEU  77           HB2      LEU  77  -7.167  -3.908  -6.245
  565    HB3  LEU  77           HB1      LEU  77  -7.110  -3.404  -4.571
  566    HG   LEU  77           HG       LEU  77  -8.063  -5.711  -5.058
  567   HD11  LEU  77          HD11      LEU  77  -8.343  -4.639  -2.894
  568   HD12  LEU  77          HD12      LEU  77  -9.792  -5.542  -3.344
  569   HD13  LEU  77          HD13      LEU  77  -9.766  -3.784  -3.489
  570   HD21  LEU  77          HD21      LEU  77 -10.404  -4.059  -5.982
  571   HD22  LEU  77          HD22      LEU  77 -10.425  -5.798  -5.695
  572   HD23  LEU  77          HD23      LEU  77  -9.419  -5.130  -6.979
  573    H    ILE  78           HN       ILE  78  -7.329  -1.014  -3.923
  574    HA   ILE  78           HA       ILE  78  -9.375  -1.108  -1.954
  575    HB   ILE  78           HB       ILE  78  -6.928   0.660  -2.120
  576   HG12  ILE  78          HG12      ILE  78  -7.485  -1.913  -0.618
  577   HG13  ILE  78          HG11      ILE  78  -6.432  -1.742  -2.018
  578   HG21  ILE  78          HG21      ILE  78  -7.258   1.104   0.252
  579   HG22  ILE  78          HG22      ILE  78  -8.724   0.124   0.246
  580   HG23  ILE  78          HG23      ILE  78  -8.668   1.630  -0.669
  581   HD11  ILE  78          HD11      ILE  78  -4.978  -0.264  -0.689
  582   HD12  ILE  78          HD12      ILE  78  -5.114  -1.889  -0.021
  583   HD13  ILE  78          HD13      ILE  78  -6.008  -0.555   0.716
  584    H    ASN  79           HN       ASN  79  -8.456   1.269  -4.402
  585    HA   ASN  79           HA       ASN  79 -10.206   3.327  -3.576
  586    HB2  ASN  79           HB2      ASN  79  -8.865   2.643  -6.161
  587    HB3  ASN  79           HB1      ASN  79 -10.156   3.843  -6.169
  588   HD21  ASN  79          HD21      ASN  79  -7.947   3.328  -3.501
  589   HD22  ASN  79          HD22      ASN  79  -7.151   4.861  -3.621
  590    H    GLY  80           HN       GLY  80 -10.661   0.591  -5.765
  591    HA2  GLY  80           HA2      GLY  80 -13.309   1.119  -6.527
  592    HA3  GLY  80           HA1      GLY  80 -12.570  -0.475  -6.455
  593    H    ALA  81           HN       ALA  81 -12.005  -0.375  -3.634
  594    HA   ALA  81           HA       ALA  81 -14.516  -1.285  -2.636
  595    HB1  ALA  81           HB1      ALA  81 -11.929  -0.798  -1.162
  596    HB2  ALA  81           HB2      ALA  81 -12.399  -2.309  -1.941
  597    HB3  ALA  81           HB3      ALA  81 -13.312  -1.709  -0.555
  598    H    LEU  82           HN       LEU  82 -12.420   1.503  -1.900
  599    HA   LEU  82           HA       LEU  82 -14.088   2.677   0.020
  600    HB2  LEU  82           HB2      LEU  82 -11.871   3.603  -1.735
  601    HB3  LEU  82           HB1      LEU  82 -12.840   4.820  -0.928
  602    HG   LEU  82           HG       LEU  82 -10.678   4.090   0.192
  603   HD11  LEU  82          HD11      LEU  82 -13.256   3.923   1.743
  604   HD12  LEU  82          HD12      LEU  82 -12.387   5.400   1.328
  605   HD13  LEU  82          HD13      LEU  82 -11.661   4.229   2.431
  606   HD21  LEU  82          HD21      LEU  82 -10.819   2.114   1.626
  607   HD22  LEU  82          HD22      LEU  82 -10.876   1.699  -0.087
  608   HD23  LEU  82          HD23      LEU  82 -12.356   1.690   0.873
  609    H    ALA  83           HN       ALA  83 -14.084   2.876  -3.489
  610    HA   ALA  83           HA       ALA  83 -15.956   4.965  -3.756
  611    HB1  ALA  83           HB1      ALA  83 -14.581   4.176  -5.618
  612    HB2  ALA  83           HB2      ALA  83 -16.297   4.139  -6.024
  613    HB3  ALA  83           HB3      ALA  83 -15.453   2.644  -5.619
  614    H    GLU  84           HN       GLU  84 -16.378   1.429  -3.669
  615    HA   GLU  84           HA       GLU  84 -19.260   1.685  -3.805
  616    HB2  GLU  84           HB2      GLU  84 -17.480  -0.732  -3.476
  617    HB3  GLU  84           HB1      GLU  84 -19.231  -0.802  -3.623
  618    HG2  GLU  84           HG2      GLU  84 -17.300   0.232  -5.688
  619    HG3  GLU  84           HG1      GLU  84 -18.176  -1.296  -5.741
  620    H    ALA  85           HN       ALA  85 -17.275   2.340  -1.401
  621    HA   ALA  85           HA       ALA  85 -18.392   0.854   0.761
  622    HB1  ALA  85           HB1      ALA  85 -16.915   3.477   0.844
  623    HB2  ALA  85           HB2      ALA  85 -16.150   1.889   0.842
  624    HB3  ALA  85           HB3      ALA  85 -17.176   2.372   2.193
  625    H    ALA  86           HN       ALA  86 -19.214   3.760  -0.938
  626    HA   ALA  86           HA       ALA  86 -21.358   4.334   0.987
  627    HB1  ALA  86           HB1      ALA  86 -19.869   6.217   0.528
  628    HB2  ALA  86           HB2      ALA  86 -21.502   6.544  -0.060
  629    HB3  ALA  86           HB3      ALA  86 -20.224   6.090  -1.191
  630    H28  SXO  87          H28B      SXO  87   5.423 -11.824   4.699
  631   H28A  SXO  87          H28A      SXO  87   6.220 -12.304   6.200
  632    H30  SXO  87          H30A      SXO  87   3.905 -12.362   7.164
  633   H30A  SXO  87          H30C      SXO  87   3.269 -11.966   5.567
  634   H30B  SXO  87          H30B      SXO  87   2.676 -13.388   6.423
  635    H31  SXO  87          H31A      SXO  87   3.737 -13.448   3.645
  636   H31A  SXO  87          H31B      SXO  87   3.318 -14.924   4.514
  637   H31B  SXO  87          H31C      SXO  87   4.917 -14.752   3.791
  638    H32  SXO  87          H32A      SXO  87   5.191 -14.334   7.551
  639   HO33  SXO  87          H33A      SXO  87   6.457 -15.188   5.185
  640   HN36  SXO  87          H36A      SXO  87   2.699 -14.698   7.331
  641    H37  SXO  87          H37A      SXO  87   2.132 -17.538   6.754
  642   H37A  SXO  87          H37B      SXO  87   1.480 -16.676   8.149
  643    H38  SXO  87          H38B      SXO  87  -0.199 -16.874   6.406
  644   H38A  SXO  87          H38A      SXO  87   0.884 -16.097   5.250
  645   HN41  SXO  87          H41A      SXO  87  -0.575 -14.496   4.824
  646    H42  SXO  87          H42A      SXO  87  -2.121 -12.767   5.567
  647   H42A  SXO  87          H42B      SXO  87  -1.060 -12.507   6.952
  648    H43  SXO  87          H43B      SXO  87  -0.733 -10.732   5.331
  649   H43A  SXO  87          H43A      SXO  87   0.720 -11.739   5.406
  650    H2   SXO  87           H2A      SXO  87  -0.127 -11.099   0.939
  651    H2A  SXO  87           H2B      SXO  87   1.589 -10.699   0.946
  652    H3   SXO  87           H3B      SXO  87   1.068  -8.400   1.540
  653    H3A  SXO  87           H3A      SXO  87   0.241  -8.872   0.055
  654    H4   SXO  87           H4A      SXO  87  -0.947  -8.676   2.820
  655    H4A  SXO  87           H4B      SXO  87  -1.794  -9.329   1.418
  656    H5   SXO  87           H5B      SXO  87  -1.505  -7.172   0.263
  657    H5A  SXO  87           H5A      SXO  87  -2.444  -7.028   1.750
  658    H6   SXO  87           H6A      SXO  87   0.482  -6.353   1.428
  659    H6A  SXO  87           H6B      SXO  87  -0.440  -6.227   2.926
  660    H7   SXO  87           H7A      SXO  87  -1.919  -4.576   1.873
  661    H7A  SXO  87           H7B      SXO  87  -0.984  -4.693   0.375
  662    H8   SXO  87           H8C      SXO  87   1.000  -3.917   1.577
  663    H8A  SXO  87           H8A      SXO  87   0.056  -3.786   3.062
  664    H8B  SXO  87           H8B      SXO  87  -0.314  -2.745   1.683
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -14.616  15.886   4.809
    2    H2   MET   1           HT2      MET   1 -14.128  15.755   3.191
    3    H3   MET   1           HT3      MET   1 -13.535  14.666   4.344
    4    HA   MET   1           HA       MET   1 -15.759  13.793   4.702
    5    HB2  MET   1           HB2      MET   1 -16.489  15.613   2.391
    6    HB3  MET   1           HB1      MET   1 -17.545  14.404   3.108
    7    HG2  MET   1           HG2      MET   1 -16.453  16.857   4.468
    8    HG3  MET   1           HG1      MET   1 -18.106  16.616   3.902
    9    HE1  MET   1           HE1      MET   1 -19.798  14.885   4.956
   10    HE2  MET   1           HE2      MET   1 -19.407  13.819   6.307
   11    HE3  MET   1           HE3      MET   1 -18.649  13.566   4.735
   12    H    ALA   2           HN       ALA   2 -15.299  11.809   4.099
   13    HA   ALA   2           HA       ALA   2 -14.929   9.960   2.844
   14    HB1  ALA   2           HB1      ALA   2 -15.598   9.920   0.513
   15    HB2  ALA   2           HB2      ALA   2 -15.670  11.682   0.485
   16    HB3  ALA   2           HB3      ALA   2 -16.801  10.769   1.484
   17    H    THR   3           HN       THR   3 -12.745   9.974   3.410
   18    HA   THR   3           HA       THR   3 -10.859  11.225   1.574
   19    HB   THR   3           HB       THR   3 -10.264   9.686   4.080
   20    HG1  THR   3           HG1      THR   3 -11.465  12.065   3.821
   21   HG21  THR   3          HG21      THR   3  -8.155  10.926   4.053
   22   HG22  THR   3          HG22      THR   3  -8.651  11.743   2.570
   23   HG23  THR   3          HG23      THR   3  -8.357  10.004   2.563
   24    H    LEU   4           HN       LEU   4 -10.615  10.017  -0.230
   25    HA   LEU   4           HA       LEU   4 -10.418   7.131  -0.112
   26    HB2  LEU   4           HB2      LEU   4 -10.003   9.053  -2.404
   27    HB3  LEU   4           HB1      LEU   4 -10.012   7.307  -2.548
   28    HG   LEU   4           HG       LEU   4 -12.348   9.047  -1.754
   29   HD11  LEU   4          HD11      LEU   4 -11.870   9.148  -4.120
   30   HD12  LEU   4          HD12      LEU   4 -13.334   8.205  -3.837
   31   HD13  LEU   4          HD13      LEU   4 -11.818   7.386  -4.211
   32   HD21  LEU   4          HD21      LEU   4 -13.660   6.975  -1.783
   33   HD22  LEU   4          HD22      LEU   4 -12.432   6.963  -0.519
   34   HD23  LEU   4          HD23      LEU   4 -12.177   6.046  -2.005
   35    H    LEU   5           HN       LEU   5  -8.525   6.040  -1.160
   36    HA   LEU   5           HA       LEU   5  -6.072   7.017   0.043
   37    HB2  LEU   5           HB2      LEU   5  -7.019   4.565  -0.147
   38    HB3  LEU   5           HB1      LEU   5  -6.266   4.602  -1.727
   39    HG   LEU   5           HG       LEU   5  -4.777   5.095   0.854
   40   HD11  LEU   5          HD11      LEU   5  -3.930   2.821   0.593
   41   HD12  LEU   5          HD12      LEU   5  -4.989   2.583  -0.796
   42   HD13  LEU   5          HD13      LEU   5  -5.682   2.836   0.807
   43   HD21  LEU   5          HD21      LEU   5  -3.724   6.067  -1.125
   44   HD22  LEU   5          HD22      LEU   5  -3.816   4.510  -1.945
   45   HD23  LEU   5          HD23      LEU   5  -2.796   4.696  -0.518
   46    H    THR   6           HN       THR   6  -4.617   8.263  -1.066
   47    HA   THR   6           HA       THR   6  -4.781   8.175  -4.010
   48    HB   THR   6           HB       THR   6  -4.108  10.531  -4.086
   49    HG1  THR   6           HG1      THR   6  -4.348  10.396  -1.231
   50   HG21  THR   6          HG21      THR   6  -6.555   9.936  -2.426
   51   HG22  THR   6          HG22      THR   6  -6.464  10.090  -4.181
   52   HG23  THR   6          HG23      THR   6  -6.212  11.504  -3.158
   53    H    THR   7           HN       THR   7  -2.681   9.576  -4.792
   54    HA   THR   7           HA       THR   7  -0.535   7.822  -4.729
   55    HB   THR   7           HB       THR   7   0.728   9.991  -5.493
   56    HG1  THR   7           HG1      THR   7  -0.549  11.664  -5.060
   57   HG21  THR   7          HG21      THR   7   0.029   8.197  -7.000
   58   HG22  THR   7          HG22      THR   7  -0.259   9.777  -7.727
   59   HG23  THR   7          HG23      THR   7  -1.604   8.862  -7.046
   60    H    ASP   8           HN       ASP   8  -0.807  10.981  -3.171
   61    HA   ASP   8           HA       ASP   8   1.617  10.975  -1.804
   62    HB2  ASP   8           HB2      ASP   8  -0.967  12.347  -1.019
   63    HB3  ASP   8           HB1      ASP   8   0.644  12.787  -0.468
   64    H    ASP   9           HN       ASP   9  -1.561   9.808  -0.867
   65    HA   ASP   9           HA       ASP   9  -1.001   9.192   1.826
   66    HB2  ASP   9           HB2      ASP   9  -3.017   8.069  -0.122
   67    HB3  ASP   9           HB1      ASP   9  -2.938   7.569   1.563
   68    H    LEU  10           HN       LEU  10  -0.825   7.270  -1.131
   69    HA   LEU  10           HA       LEU  10  -0.251   4.772  -0.063
   70    HB2  LEU  10           HB2      LEU  10  -0.662   5.605  -2.521
   71    HB3  LEU  10           HB1      LEU  10   1.080   5.741  -2.570
   72    HG   LEU  10           HG       LEU  10   0.230   3.641  -3.561
   73   HD11  LEU  10          HD11      LEU  10   2.493   3.701  -2.684
   74   HD12  LEU  10          HD12      LEU  10   1.757   2.115  -2.444
   75   HD13  LEU  10          HD13      LEU  10   1.895   3.236  -1.090
   76   HD21  LEU  10          HD21      LEU  10  -0.650   3.032  -0.744
   77   HD22  LEU  10          HD22      LEU  10  -0.623   1.879  -2.079
   78   HD23  LEU  10          HD23      LEU  10  -1.698   3.274  -2.142
   79    H    ARG  11           HN       ARG  11   1.962   7.323  -1.125
   80    HA   ARG  11           HA       ARG  11   4.404   6.152  -0.545
   81    HB2  ARG  11           HB2      ARG  11   4.173   8.289  -1.723
   82    HB3  ARG  11           HB1      ARG  11   3.590   9.054  -0.253
   83    HG2  ARG  11           HG2      ARG  11   5.816   8.438   0.785
   84    HG3  ARG  11           HG1      ARG  11   6.356   8.056  -0.850
   85    HD2  ARG  11           HD2      ARG  11   5.296  10.713   0.105
   86    HD3  ARG  11           HD1      ARG  11   6.982  10.331  -0.220
   87    HE   ARG  11           HE       ARG  11   4.997  10.155  -2.378
   88   HH11  ARG  11          HH11      ARG  11   7.832  11.639  -0.984
   89   HH12  ARG  11          HH12      ARG  11   8.280  12.489  -2.436
   90   HH21  ARG  11          HH21      ARG  11   5.545  11.290  -4.304
   91   HH22  ARG  11          HH22      ARG  11   6.974  12.273  -4.331
   92    H    ARG  12           HN       ARG  12   2.221   7.906   1.608
   93    HA   ARG  12           HA       ARG  12   3.952   8.098   3.821
   94    HB2  ARG  12           HB2      ARG  12   0.945   8.109   3.645
   95    HB3  ARG  12           HB1      ARG  12   1.831   8.415   5.130
   96    HG2  ARG  12           HG2      ARG  12   2.903  10.344   4.099
   97    HG3  ARG  12           HG1      ARG  12   2.016  10.038   2.605
   98    HD2  ARG  12           HD2      ARG  12   0.941  11.786   3.917
   99    HD3  ARG  12           HD1      ARG  12  -0.095  10.365   3.792
  100    HE   ARG  12           HE       ARG  12   0.993   9.848   6.124
  101   HH11  ARG  12          HH11      ARG  12  -0.013  12.961   4.894
  102   HH12  ARG  12          HH12      ARG  12  -0.373  13.609   6.458
  103   HH21  ARG  12          HH21      ARG  12   0.498  10.670   8.171
  104   HH22  ARG  12          HH22      ARG  12  -0.088  12.305   8.338
  105    H    ALA  13           HN       ALA  13   1.638   5.616   2.859
  106    HA   ALA  13           HA       ALA  13   1.506   4.254   5.303
  107    HB1  ALA  13           HB1      ALA  13   0.681   2.349   3.992
  108    HB2  ALA  13           HB2      ALA  13   1.176   3.168   2.511
  109    HB3  ALA  13           HB3      ALA  13  -0.094   3.860   3.519
  110    H    LEU  14           HN       LEU  14   3.726   3.976   2.595
  111    HA   LEU  14           HA       LEU  14   5.126   1.708   3.514
  112    HB2  LEU  14           HB2      LEU  14   5.781   3.920   1.605
  113    HB3  LEU  14           HB1      LEU  14   6.996   2.739   2.033
  114    HG   LEU  14           HG       LEU  14   6.070   2.005  -0.003
  115   HD11  LEU  14          HD11      LEU  14   6.378   0.221   1.620
  116   HD12  LEU  14          HD12      LEU  14   5.011  -0.120   0.558
  117   HD13  LEU  14          HD13      LEU  14   4.729   0.451   2.202
  118   HD21  LEU  14          HD21      LEU  14   3.338   2.383   1.215
  119   HD22  LEU  14          HD22      LEU  14   3.672   1.713  -0.381
  120   HD23  LEU  14          HD23      LEU  14   4.073   3.394  -0.030
  121    H    VAL  15           HN       VAL  15   5.770   5.178   3.857
  122    HA   VAL  15           HA       VAL  15   8.173   4.865   5.332
  123    HB   VAL  15           HB       VAL  15   6.294   7.231   5.254
  124   HG11  VAL  15          HG11      VAL  15   8.233   8.542   5.961
  125   HG12  VAL  15          HG12      VAL  15   9.191   7.066   6.085
  126   HG13  VAL  15          HG13      VAL  15   7.817   7.319   7.162
  127   HG21  VAL  15          HG21      VAL  15   8.734   6.598   3.598
  128   HG22  VAL  15          HG22      VAL  15   7.852   8.124   3.565
  129   HG23  VAL  15          HG23      VAL  15   7.067   6.638   3.030
  130    H    GLU  16           HN       GLU  16   4.838   5.605   6.346
  131    HA   GLU  16           HA       GLU  16   5.383   5.863   9.091
  132    HB2  GLU  16           HB2      GLU  16   2.836   5.126   7.648
  133    HB3  GLU  16           HB1      GLU  16   2.922   5.502   9.363
  134    HG2  GLU  16           HG2      GLU  16   3.650   7.755   8.870
  135    HG3  GLU  16           HG1      GLU  16   3.708   7.386   7.146
  136    H    SER  17           HN       SER  17   4.970   3.069   7.084
  137    HA   SER  17           HA       SER  17   4.474   1.275   9.288
  138    HB2  SER  17           HB2      SER  17   3.534   0.793   7.073
  139    HB3  SER  17           HB1      SER  17   5.157   0.701   6.393
  140    HG   SER  17           HG       SER  17   4.746  -1.353   6.831
  141    H    ALA  18           HN       ALA  18   7.125   1.564   6.907
  142    HA   ALA  18           HA       ALA  18   8.799  -0.253   8.327
  143    HB1  ALA  18           HB1      ALA  18   9.538   1.681   6.133
  144    HB2  ALA  18           HB2      ALA  18   8.897   0.058   5.884
  145    HB3  ALA  18           HB3      ALA  18  10.470   0.276   6.651
  146    H    GLY  19           HN       GLY  19   9.118   3.262   7.724
  147    HA2  GLY  19           HA2      GLY  19   9.659   4.714   9.606
  148    HA3  GLY  19           HA1      GLY  19  10.644   3.407  10.246
  149    H    GLU  20           HN       GLU  20  10.956   6.322   9.098
  150    HA   GLU  20           HA       GLU  20  12.664   7.562   8.296
  151    HB2  GLU  20           HB2      GLU  20  14.242   4.993   8.495
  152    HB3  GLU  20           HB1      GLU  20  14.930   6.583   8.195
  153    HG2  GLU  20           HG2      GLU  20  14.054   7.342  10.365
  154    HG3  GLU  20           HG1      GLU  20  13.465   5.707  10.672
  155    H    THR  21           HN       THR  21  14.476   7.499   6.474
  156    HA   THR  21           HA       THR  21  13.349   6.169   4.110
  157    HB   THR  21           HB       THR  21  14.173   8.308   2.872
  158    HG1  THR  21           HG1      THR  21  14.150  10.176   4.118
  159   HG21  THR  21          HG21      THR  21  11.688   8.306   4.586
  160   HG22  THR  21          HG22      THR  21  11.845   7.667   2.949
  161   HG23  THR  21          HG23      THR  21  11.985   9.401   3.234
  162    H    ASP  22           HN       ASP  22  14.962   4.573   4.287
  163    HA   ASP  22           HA       ASP  22  17.700   5.058   4.630
  164    HB2  ASP  22           HB2      ASP  22  16.639   2.860   4.976
  165    HB3  ASP  22           HB1      ASP  22  16.389   2.714   3.238
  166    H    GLY  23           HN       GLY  23  15.954   4.271   1.617
  167    HA2  GLY  23           HA2      GLY  23  16.794   6.128  -0.080
  168    HA3  GLY  23           HA1      GLY  23  18.258   5.173   0.080
  169    H    THR  24           HN       THR  24  15.762   5.680  -1.885
  170    HA   THR  24           HA       THR  24  16.240   3.533  -3.566
  171    HB   THR  24           HB       THR  24  15.139   2.174  -1.777
  172    HG1  THR  24           HG1      THR  24  14.280   0.933  -3.273
  173   HG21  THR  24          HG21      THR  24  13.546   3.790  -0.927
  174   HG22  THR  24          HG22      THR  24  12.694   2.355  -1.496
  175   HG23  THR  24          HG23      THR  24  12.708   3.819  -2.479
  176    H    ASP  25           HN       ASP  25  13.841   3.231  -4.893
  177    HA   ASP  25           HA       ASP  25  13.321   5.950  -5.810
  178    HB2  ASP  25           HB2      ASP  25  12.863   3.224  -6.959
  179    HB3  ASP  25           HB1      ASP  25  11.840   4.549  -7.509
  180    H    LEU  26           HN       LEU  26  11.989   6.889  -4.340
  181    HA   LEU  26           HA       LEU  26   9.272   5.858  -4.178
  182    HB2  LEU  26           HB2      LEU  26  10.533   4.839  -2.295
  183    HB3  LEU  26           HB1      LEU  26  10.924   6.446  -1.718
  184    HG   LEU  26           HG       LEU  26   8.487   6.868  -1.416
  185   HD11  LEU  26          HD11      LEU  26   6.977   4.939  -1.355
  186   HD12  LEU  26          HD12      LEU  26   8.262   3.926  -2.018
  187   HD13  LEU  26          HD13      LEU  26   7.599   5.253  -2.974
  188   HD21  LEU  26          HD21      LEU  26   9.632   4.527   0.100
  189   HD22  LEU  26          HD22      LEU  26   8.284   5.536   0.623
  190   HD23  LEU  26          HD23      LEU  26   9.897   6.233   0.462
  191    H    SER  27           HN       SER  27  11.189   8.340  -4.881
  192    HA   SER  27           HA       SER  27   9.957  10.448  -3.341
  193    HB2  SER  27           HB2      SER  27  12.376  10.441  -4.110
  194    HB3  SER  27           HB1      SER  27  11.779  10.747  -5.738
  195    HG   SER  27           HG       SER  27  12.195  12.723  -4.875
  196    H    GLY  28           HN       GLY  28   8.903   8.656  -5.867
  197    HA2  GLY  28           HA2      GLY  28   6.651  10.163  -6.394
  198    HA3  GLY  28           HA1      GLY  28   7.832  10.639  -7.606
  199    H    ASP  29           HN       ASP  29   9.104   8.299  -8.139
  200    HA   ASP  29           HA       ASP  29   7.063   6.832  -9.603
  201    HB2  ASP  29           HB2      ASP  29  10.002   6.166  -9.617
  202    HB3  ASP  29           HB1      ASP  29   8.818   5.960 -10.905
  203    H    PHE  30           HN       PHE  30   5.985   5.467  -8.193
  204    HA   PHE  30           HA       PHE  30   7.585   3.283  -7.131
  205    HB2  PHE  30           HB2      PHE  30   6.468   3.442  -4.879
  206    HB3  PHE  30           HB1      PHE  30   7.652   4.693  -5.225
  207    HD1  PHE  30           HD1      PHE  30   4.054   3.969  -4.930
  208    HD2  PHE  30           HD2      PHE  30   7.034   6.987  -5.288
  209    HE1  PHE  30           HE1      PHE  30   2.374   5.690  -4.402
  210    HE2  PHE  30           HE2      PHE  30   5.365   8.707  -4.749
  211    HZ   PHE  30           HZ       PHE  30   3.063   8.069  -4.226
  212    H    LEU  31           HN       LEU  31   4.447   4.618  -7.899
  213    HA   LEU  31           HA       LEU  31   2.791   2.512  -7.180
  214    HB2  LEU  31           HB2      LEU  31   2.561   4.413  -9.500
  215    HB3  LEU  31           HB1      LEU  31   1.297   3.299  -9.029
  216    HG   LEU  31           HG       LEU  31   2.369   5.575  -7.368
  217   HD11  LEU  31          HD11      LEU  31   0.962   6.319  -9.196
  218   HD12  LEU  31          HD12      LEU  31   0.114   6.492  -7.659
  219   HD13  LEU  31          HD13      LEU  31  -0.280   5.155  -8.736
  220   HD21  LEU  31          HD21      LEU  31   1.769   3.801  -5.886
  221   HD22  LEU  31          HD22      LEU  31   0.272   3.501  -6.767
  222   HD23  LEU  31          HD23      LEU  31   0.474   4.997  -5.854
  223    H    ASP  32           HN       ASP  32   5.031   2.685  -9.819
  224    HA   ASP  32           HA       ASP  32   3.709   0.561 -11.316
  225    HB2  ASP  32           HB2      ASP  32   6.090   2.323 -11.876
  226    HB3  ASP  32           HB1      ASP  32   5.650   0.986 -12.926
  227    H    LEU  33           HN       LEU  33   6.202   0.906  -9.011
  228    HA   LEU  33           HA       LEU  33   7.694  -1.416  -9.938
  229    HB2  LEU  33           HB2      LEU  33   8.128   0.497  -7.643
  230    HB3  LEU  33           HB1      LEU  33   9.125  -0.916  -7.906
  231    HG   LEU  33           HG       LEU  33  10.332   0.906  -8.768
  232   HD11  LEU  33          HD11      LEU  33  10.417  -1.041 -10.189
  233   HD12  LEU  33          HD12      LEU  33  10.472   0.422 -11.173
  234   HD13  LEU  33          HD13      LEU  33   8.977  -0.506 -11.055
  235   HD21  LEU  33          HD21      LEU  33   9.429   2.471 -10.428
  236   HD22  LEU  33          HD22      LEU  33   8.569   2.552  -8.890
  237   HD23  LEU  33          HD23      LEU  33   7.843   1.713 -10.260
  238    H    ARG  34           HN       ARG  34   7.794  -3.374  -8.856
  239    HA   ARG  34           HA       ARG  34   5.545  -4.076  -7.254
  240    HB2  ARG  34           HB2      ARG  34   8.103  -5.632  -7.680
  241    HB3  ARG  34           HB1      ARG  34   6.573  -6.281  -7.109
  242    HG2  ARG  34           HG2      ARG  34   5.558  -5.762  -9.278
  243    HG3  ARG  34           HG1      ARG  34   7.104  -5.127  -9.843
  244    HD2  ARG  34           HD2      ARG  34   6.967  -7.327 -10.679
  245    HD3  ARG  34           HD1      ARG  34   8.083  -7.390  -9.318
  246    HE   ARG  34           HE       ARG  34   5.424  -8.006  -8.513
  247   HH11  ARG  34          HH11      ARG  34   8.255  -9.352 -10.058
  248   HH12  ARG  34          HH12      ARG  34   7.815 -10.997  -9.735
  249   HH21  ARG  34          HH21      ARG  34   4.821 -10.153  -8.081
  250   HH22  ARG  34          HH22      ARG  34   5.848 -11.457  -8.621
  251    H    PHE  35           HN       PHE  35   5.468  -4.552  -5.044
  252    HA   PHE  35           HA       PHE  35   6.886  -2.941  -3.295
  253    HB2  PHE  35           HB2      PHE  35   5.524  -5.580  -2.740
  254    HB3  PHE  35           HB1      PHE  35   6.074  -4.469  -1.494
  255    HD1  PHE  35           HD2      PHE  35   5.158  -2.016  -1.722
  256    HD2  PHE  35           HD1      PHE  35   3.354  -5.455  -3.461
  257    HE1  PHE  35           HE2      PHE  35   3.013  -0.814  -1.861
  258    HE2  PHE  35           HE1      PHE  35   1.206  -4.265  -3.609
  259    HZ   PHE  35           HZ       PHE  35   1.026  -1.944  -2.744
  260    H    GLU  36           HN       GLU  36   7.566  -6.268  -4.236
  261    HA   GLU  36           HA       GLU  36   9.702  -6.791  -2.511
  262    HB2  GLU  36           HB2      GLU  36   9.417  -7.786  -5.348
  263    HB3  GLU  36           HB1      GLU  36  10.312  -8.554  -4.044
  264    HG2  GLU  36           HG2      GLU  36   8.200  -8.921  -2.844
  265    HG3  GLU  36           HG1      GLU  36   7.329  -8.213  -4.204
  266    H    ASP  37           HN       ASP  37   9.524  -4.918  -5.435
  267    HA   ASP  37           HA       ASP  37  12.366  -5.121  -5.968
  268    HB2  ASP  37           HB2      ASP  37  10.375  -5.019  -7.679
  269    HB3  ASP  37           HB1      ASP  37  10.516  -3.280  -7.446
  270    H    ILE  38           HN       ILE  38  10.123  -2.939  -4.479
  271    HA   ILE  38           HA       ILE  38  12.109  -0.821  -4.371
  272    HB   ILE  38           HB       ILE  38  10.370   0.414  -3.029
  273   HG12  ILE  38          HG12      ILE  38   8.589  -1.853  -3.948
  274   HG13  ILE  38          HG11      ILE  38   9.124  -1.615  -2.291
  275   HG21  ILE  38          HG21      ILE  38   8.985   0.912  -5.001
  276   HG22  ILE  38          HG22      ILE  38   9.644  -0.513  -5.805
  277   HG23  ILE  38          HG23      ILE  38  10.703   0.835  -5.391
  278   HD11  ILE  38          HD11      ILE  38   6.864  -0.811  -2.586
  279   HD12  ILE  38          HD12      ILE  38   7.390   0.257  -3.887
  280   HD13  ILE  38          HD13      ILE  38   7.945   0.538  -2.237
  281    H    GLY  39           HN       GLY  39  11.860  -3.613  -2.838
  282    HA2  GLY  39           HA2      GLY  39  13.378  -4.249  -1.183
  283    HA3  GLY  39           HA1      GLY  39  13.567  -2.564  -0.745
  284    H    TYR  40           HN       TYR  40  10.351  -3.949  -0.911
  285    HA   TYR  40           HA       TYR  40  10.282  -3.792   2.018
  286    HB2  TYR  40           HB2      TYR  40   8.140  -3.439  -0.059
  287    HB3  TYR  40           HB1      TYR  40   7.731  -3.791   1.619
  288    HD1  TYR  40           HD1      TYR  40   9.228  -1.319  -0.655
  289    HD2  TYR  40           HD2      TYR  40   8.047  -2.154   3.343
  290    HE1  TYR  40           HE1      TYR  40   9.491   1.058  -0.091
  291    HE2  TYR  40           HE2      TYR  40   8.300   0.217   3.921
  292    HH   TYR  40           HH       TYR  40   8.677   2.651   1.588
  293    H    ASP  41           HN       ASP  41  10.407  -5.576   3.062
  294    HA   ASP  41           HA       ASP  41  10.115  -8.127   1.770
  295    HB2  ASP  41           HB2      ASP  41  10.675  -7.561   4.687
  296    HB3  ASP  41           HB1      ASP  41  11.005  -9.052   3.809
  297    H    SER  42           HN       SER  42   9.131  -9.881   3.339
  298    HA   SER  42           HA       SER  42   6.393  -9.801   3.169
  299    HB2  SER  42           HB2      SER  42   6.438 -11.716   4.775
  300    HB3  SER  42           HB1      SER  42   7.629 -11.874   3.479
  301    H    LEU  43           HN       LEU  43   8.240  -9.507   6.185
  302    HA   LEU  43           HA       LEU  43   6.183  -8.869   7.908
  303    HB2  LEU  43           HB2      LEU  43   8.432  -9.425   8.643
  304    HB3  LEU  43           HB1      LEU  43   9.052  -7.940   7.952
  305    HG   LEU  43           HG       LEU  43   7.641  -6.670   9.576
  306   HD11  LEU  43          HD11      LEU  43   7.201  -9.403  10.762
  307   HD12  LEU  43          HD12      LEU  43   5.971  -8.352  10.060
  308   HD13  LEU  43          HD13      LEU  43   6.798  -7.873  11.543
  309   HD21  LEU  43          HD21      LEU  43   9.674  -8.584  10.709
  310   HD22  LEU  43          HD22      LEU  43   9.107  -7.111  11.494
  311   HD23  LEU  43          HD23      LEU  43  10.002  -7.011   9.979
  312    H    ALA  44           HN       ALA  44   8.256  -6.616   6.103
  313    HA   ALA  44           HA       ALA  44   7.186  -4.259   7.194
  314    HB1  ALA  44           HB1      ALA  44   9.353  -4.359   6.061
  315    HB2  ALA  44           HB2      ALA  44   8.314  -3.114   5.370
  316    HB3  ALA  44           HB3      ALA  44   8.537  -4.645   4.525
  317    H    LEU  45           HN       LEU  45   6.337  -6.117   4.316
  318    HA   LEU  45           HA       LEU  45   4.580  -4.178   3.237
  319    HB2  LEU  45           HB2      LEU  45   5.629  -5.961   1.915
  320    HB3  LEU  45           HB1      LEU  45   4.670  -7.154   2.765
  321    HG   LEU  45           HG       LEU  45   2.621  -6.242   1.796
  322   HD11  LEU  45          HD11      LEU  45   4.453  -4.308   0.382
  323   HD12  LEU  45          HD12      LEU  45   3.295  -3.905   1.647
  324   HD13  LEU  45          HD13      LEU  45   2.723  -4.494   0.084
  325   HD21  LEU  45          HD21      LEU  45   4.772  -6.779  -0.254
  326   HD22  LEU  45          HD22      LEU  45   3.036  -6.869  -0.539
  327   HD23  LEU  45          HD23      LEU  45   3.802  -7.995   0.581
  328    H    MET  46           HN       MET  46   4.029  -7.015   5.303
  329    HA   MET  46           HA       MET  46   1.197  -6.786   5.148
  330    HB2  MET  46           HB2      MET  46   1.105  -8.490   6.886
  331    HB3  MET  46           HB1      MET  46   2.261  -8.931   5.641
  332    HG2  MET  46           HG2      MET  46   3.422  -9.498   7.511
  333    HG3  MET  46           HG1      MET  46   3.977  -7.840   7.290
  334    HE1  MET  46           HE1      MET  46   1.483 -10.176   9.283
  335    HE2  MET  46           HE2      MET  46   0.441  -8.952   8.555
  336    HE3  MET  46           HE3      MET  46   0.667  -8.985  10.302
  337    H    GLU  47           HN       GLU  47   3.613  -5.513   7.370
  338    HA   GLU  47           HA       GLU  47   1.810  -4.404   9.237
  339    HB2  GLU  47           HB2      GLU  47   4.611  -3.674   8.413
  340    HB3  GLU  47           HB1      GLU  47   3.744  -2.790   9.659
  341    HG2  GLU  47           HG2      GLU  47   4.264  -5.752   9.748
  342    HG3  GLU  47           HG1      GLU  47   5.291  -4.540  10.511
  343    H    THR  48           HN       THR  48   3.096  -3.264   6.179
  344    HA   THR  48           HA       THR  48   2.160  -0.625   6.264
  345    HB   THR  48           HB       THR  48   2.482  -2.368   3.813
  346    HG1  THR  48           HG1      THR  48   4.434  -2.345   4.900
  347   HG21  THR  48          HG21      THR  48   2.559   0.634   4.153
  348   HG22  THR  48          HG22      THR  48   1.260  -0.285   3.391
  349   HG23  THR  48          HG23      THR  48   2.861  -0.240   2.650
  350    H    ALA  49           HN       ALA  49   0.628  -3.630   5.204
  351    HA   ALA  49           HA       ALA  49  -1.716  -2.592   4.106
  352    HB1  ALA  49           HB1      ALA  49  -1.430  -5.170   5.651
  353    HB2  ALA  49           HB2      ALA  49  -1.047  -4.954   3.942
  354    HB3  ALA  49           HB3      ALA  49  -2.709  -4.767   4.502
  355    H    ALA  50           HN       ALA  50  -1.000  -3.501   7.454
  356    HA   ALA  50           HA       ALA  50  -3.563  -3.048   8.513
  357    HB1  ALA  50           HB1      ALA  50  -0.880  -2.920   9.893
  358    HB2  ALA  50           HB2      ALA  50  -1.877  -4.360   9.683
  359    HB3  ALA  50           HB3      ALA  50  -2.447  -3.034  10.695
  360    H    ARG  51           HN       ARG  51  -0.867  -0.938   7.851
  361    HA   ARG  51           HA       ARG  51  -1.625   1.325   9.297
  362    HB2  ARG  51           HB2      ARG  51  -0.141   0.991   6.701
  363    HB3  ARG  51           HB1      ARG  51  -0.441   2.571   7.392
  364    HG2  ARG  51           HG2      ARG  51   1.103   0.340   8.680
  365    HG3  ARG  51           HG1      ARG  51   1.779   1.796   7.950
  366    HD2  ARG  51           HD2      ARG  51  -0.028   1.675  10.364
  367    HD3  ARG  51           HD1      ARG  51   1.702   2.009  10.372
  368    HE   ARG  51           HE       ARG  51   0.878   3.999   8.842
  369   HH11  ARG  51          HH11      ARG  51  -0.527   2.750  11.782
  370   HH12  ARG  51          HH12      ARG  51  -1.227   4.261  12.260
  371   HH21  ARG  51          HH21      ARG  51  -0.008   6.019   9.448
  372   HH22  ARG  51          HH22      ARG  51  -0.947   6.133  10.918
  373    H    LEU  52           HN       LEU  52  -2.376   0.491   5.906
  374    HA   LEU  52           HA       LEU  52  -3.983   2.770   5.443
  375    HB2  LEU  52           HB2      LEU  52  -3.991   0.104   4.030
  376    HB3  LEU  52           HB1      LEU  52  -4.768   1.560   3.442
  377    HG   LEU  52           HG       LEU  52  -1.798   1.279   3.891
  378   HD11  LEU  52          HD11      LEU  52  -3.406   1.204   1.346
  379   HD12  LEU  52          HD12      LEU  52  -2.551  -0.156   2.077
  380   HD13  LEU  52          HD13      LEU  52  -1.646   1.225   1.450
  381   HD21  LEU  52          HD21      LEU  52  -2.664   3.571   4.117
  382   HD22  LEU  52          HD22      LEU  52  -3.413   3.431   2.526
  383   HD23  LEU  52          HD23      LEU  52  -1.657   3.382   2.680
  384    H    GLU  53           HN       GLU  53  -4.772  -0.543   6.397
  385    HA   GLU  53           HA       GLU  53  -7.545  -0.366   6.197
  386    HB2  GLU  53           HB2      GLU  53  -5.888  -1.979   8.135
  387    HB3  GLU  53           HB1      GLU  53  -7.598  -2.232   7.824
  388    HG2  GLU  53           HG2      GLU  53  -7.141  -2.825   5.539
  389    HG3  GLU  53           HG1      GLU  53  -5.431  -2.455   5.754
  390    H    SER  54           HN       SER  54  -5.515   0.072   9.085
  391    HA   SER  54           HA       SER  54  -7.662   0.829  10.761
  392    HB2  SER  54           HB2      SER  54  -4.721   1.418  11.152
  393    HB3  SER  54           HB1      SER  54  -5.966   1.335  12.402
  394    HG   SER  54           HG       SER  54  -4.805  -0.747  10.896
  395    H    ARG  55           HN       ARG  55  -5.651   2.594   8.570
  396    HA   ARG  55           HA       ARG  55  -5.913   5.156   9.787
  397    HB2  ARG  55           HB2      ARG  55  -4.069   4.468   8.228
  398    HB3  ARG  55           HB1      ARG  55  -5.231   4.536   6.909
  399    HG2  ARG  55           HG2      ARG  55  -5.586   6.906   7.335
  400    HG3  ARG  55           HG1      ARG  55  -4.429   6.844   8.667
  401    HD2  ARG  55           HD2      ARG  55  -2.654   6.240   7.134
  402    HD3  ARG  55           HD1      ARG  55  -3.798   6.189   5.793
  403    HE   ARG  55           HE       ARG  55  -3.268   8.677   7.292
  404   HH11  ARG  55          HH11      ARG  55  -3.438   6.927   4.266
  405   HH12  ARG  55          HH12      ARG  55  -3.311   8.359   3.294
  406   HH21  ARG  55          HH21      ARG  55  -3.116  10.560   5.980
  407   HH22  ARG  55          HH22      ARG  55  -3.143  10.395   4.245
  408    H    TYR  56           HN       TYR  56  -7.526   3.585   7.027
  409    HA   TYR  56           HA       TYR  56  -9.290   5.898   6.746
  410    HB2  TYR  56           HB2      TYR  56  -8.995   3.401   5.069
  411    HB3  TYR  56           HB1      TYR  56 -10.114   4.710   4.718
  412    HD1  TYR  56           HD2      TYR  56  -9.277   6.895   3.976
  413    HD2  TYR  56           HD1      TYR  56  -6.649   3.610   4.615
  414    HE1  TYR  56           HE2      TYR  56  -7.535   8.042   2.679
  415    HE2  TYR  56           HE1      TYR  56  -4.903   4.751   3.318
  416    HH   TYR  56           HH       TYR  56  -5.211   8.048   2.353
  417    H    GLY  57           HN       GLY  57  -9.277   2.762   8.113
  418    HA2  GLY  57           HA2      GLY  57 -10.966   1.828   9.446
  419    HA3  GLY  57           HA1      GLY  57 -12.107   2.990   8.777
  420    H    VAL  58           HN       VAL  58  -9.926   0.638   7.261
  421    HA   VAL  58           HA       VAL  58 -12.274  -0.580   5.963
  422    HB   VAL  58           HB       VAL  58 -11.025  -0.917   3.920
  423   HG11  VAL  58          HG11      VAL  58 -12.213   1.187   4.102
  424   HG12  VAL  58          HG12      VAL  58 -10.732   1.392   3.167
  425   HG13  VAL  58          HG13      VAL  58 -10.798   1.940   4.842
  426   HG21  VAL  58          HG21      VAL  58  -8.728   0.471   5.295
  427   HG22  VAL  58          HG22      VAL  58  -8.785   0.036   3.586
  428   HG23  VAL  58          HG23      VAL  58  -8.796  -1.226   4.818
  429    H    SER  59           HN       SER  59 -11.207  -2.692   4.741
  430    HA   SER  59           HA       SER  59  -9.260  -4.036   6.390
  431    HB2  SER  59           HB2      SER  59 -12.046  -5.152   5.977
  432    HB3  SER  59           HB1      SER  59 -10.696  -6.023   6.700
  433    HG   SER  59           HG       SER  59 -10.935  -3.687   7.949
  434    H    ILE  60           HN       ILE  60  -7.987  -5.320   5.166
  435    HA   ILE  60           HA       ILE  60  -8.683  -5.519   2.329
  436    HB   ILE  60           HB       ILE  60  -6.059  -6.101   3.717
  437   HG12  ILE  60          HG12      ILE  60  -6.919  -3.742   2.025
  438   HG13  ILE  60          HG11      ILE  60  -6.729  -3.722   3.773
  439   HG21  ILE  60          HG21      ILE  60  -6.779  -6.004   0.791
  440   HG22  ILE  60          HG22      ILE  60  -6.223  -7.409   1.702
  441   HG23  ILE  60          HG23      ILE  60  -5.130  -6.054   1.409
  442   HD11  ILE  60          HD11      ILE  60  -4.822  -2.706   2.724
  443   HD12  ILE  60          HD12      ILE  60  -4.557  -4.145   1.739
  444   HD13  ILE  60          HD13      ILE  60  -4.336  -4.222   3.488
  445    HA   PRO  61           HA       PRO  61 -10.099  -9.710   2.846
  446    HB2  PRO  61           HB2      PRO  61  -9.391  -9.840  -0.036
  447    HB3  PRO  61           HB1      PRO  61 -10.908 -10.250   0.771
  448    HG2  PRO  61           HG2      PRO  61 -10.686  -8.007  -0.653
  449    HG3  PRO  61           HG1      PRO  61 -11.616  -8.045   0.858
  450    HD2  PRO  61           HD2      PRO  61  -8.885  -6.941   0.333
  451    HD3  PRO  61           HD1      PRO  61 -10.167  -6.316   1.388
  452    H    ASP  62           HN       ASP  62  -9.076 -11.534   3.347
  453    HA   ASP  62           HA       ASP  62  -6.345 -11.539   3.745
  454    HB2  ASP  62           HB2      ASP  62  -8.233 -13.893   3.584
  455    HB3  ASP  62           HB1      ASP  62  -6.598 -13.970   4.234
  456    H    ASP  63           HN       ASP  63  -8.128 -13.369   1.253
  457    HA   ASP  63           HA       ASP  63  -5.672 -14.407   0.177
  458    HB2  ASP  63           HB2      ASP  63  -8.526 -14.626  -0.791
  459    HB3  ASP  63           HB1      ASP  63  -7.162 -15.449  -1.540
  460    H    VAL  64           HN       VAL  64  -7.851 -11.808  -0.600
  461    HA   VAL  64           HA       VAL  64  -6.839 -11.386  -3.241
  462    HB   VAL  64           HB       VAL  64  -8.398  -9.429  -1.532
  463   HG11  VAL  64          HG11      VAL  64  -7.330  -8.405  -3.475
  464   HG12  VAL  64          HG12      VAL  64  -9.081  -8.457  -3.671
  465   HG13  VAL  64          HG13      VAL  64  -8.061  -9.615  -4.526
  466   HG21  VAL  64          HG21      VAL  64  -9.388 -11.550  -3.440
  467   HG22  VAL  64          HG22      VAL  64 -10.391 -10.285  -2.733
  468   HG23  VAL  64          HG23      VAL  64  -9.643 -11.497  -1.694
  469    H    ALA  65           HN       ALA  65  -5.810 -10.545  -0.091
  470    HA   ALA  65           HA       ALA  65  -4.368  -8.195  -0.589
  471    HB1  ALA  65           HB1      ALA  65  -3.133  -8.721   1.446
  472    HB2  ALA  65           HB2      ALA  65  -3.762 -10.369   1.409
  473    HB3  ALA  65           HB3      ALA  65  -4.859  -9.011   1.660
  474    H    GLY  66           HN       GLY  66  -3.655 -11.528  -1.240
  475    HA2  GLY  66           HA2      GLY  66  -0.876 -10.962  -1.915
  476    HA3  GLY  66           HA1      GLY  66  -1.652 -12.538  -1.928
  477    H    ARG  67           HN       ARG  67  -3.300  -9.951  -3.468
  478    HA   ARG  67           HA       ARG  67  -2.508 -11.036  -6.093
  479    HB2  ARG  67           HB2      ARG  67  -5.175  -9.902  -5.226
  480    HB3  ARG  67           HB1      ARG  67  -4.780 -10.397  -6.866
  481    HG2  ARG  67           HG2      ARG  67  -4.743 -12.260  -4.496
  482    HG3  ARG  67           HG1      ARG  67  -6.134 -12.035  -5.555
  483    HD2  ARG  67           HD2      ARG  67  -4.999 -13.971  -6.314
  484    HD3  ARG  67           HD1      ARG  67  -4.658 -12.695  -7.477
  485    HE   ARG  67           HE       ARG  67  -2.626 -12.834  -5.497
  486   HH11  ARG  67          HH11      ARG  67  -3.795 -14.462  -8.370
  487   HH12  ARG  67          HH12      ARG  67  -2.237 -15.122  -8.774
  488   HH21  ARG  67          HH21      ARG  67  -0.586 -13.718  -6.037
  489   HH22  ARG  67          HH22      ARG  67  -0.434 -14.694  -7.465
  490    H    VAL  68           HN       VAL  68  -1.336  -8.778  -4.563
  491    HA   VAL  68           HA       VAL  68  -1.695  -6.717  -6.616
  492    HB   VAL  68           HB       VAL  68  -1.498  -4.951  -4.820
  493   HG11  VAL  68          HG11      VAL  68  -3.617  -5.420  -5.928
  494   HG12  VAL  68          HG12      VAL  68  -3.878  -5.018  -4.230
  495   HG13  VAL  68          HG13      VAL  68  -3.957  -6.697  -4.761
  496   HG21  VAL  68          HG21      VAL  68  -2.226  -7.236  -2.979
  497   HG22  VAL  68          HG22      VAL  68  -2.136  -5.531  -2.538
  498   HG23  VAL  68          HG23      VAL  68  -0.674  -6.398  -3.009
  499    H    ASP  69           HN       ASP  69   0.231  -6.704  -7.581
  500    HA   ASP  69           HA       ASP  69   2.658  -7.115  -6.021
  501    HB2  ASP  69           HB2      ASP  69   2.205  -6.863  -9.000
  502    HB3  ASP  69           HB1      ASP  69   3.787  -7.089  -8.260
  503    H    THR  70           HN       THR  70   1.173  -4.645  -8.067
  504    HA   THR  70           HA       THR  70   3.300  -2.783  -7.277
  505    HB   THR  70           HB       THR  70   2.503  -1.359  -9.142
  506    HG1  THR  70           HG1      THR  70   0.933  -2.145 -10.543
  507   HG21  THR  70          HG21      THR  70   3.151  -4.196  -9.944
  508   HG22  THR  70          HG22      THR  70   4.321  -2.948  -9.513
  509   HG23  THR  70          HG23      THR  70   3.331  -2.766 -10.961
  510    HA   PRO  71           HA       PRO  71   0.697  -0.512  -4.482
  511    HB2  PRO  71           HB2      PRO  71   2.015   1.807  -5.829
  512    HB3  PRO  71           HB1      PRO  71   1.820   1.474  -4.107
  513    HG2  PRO  71           HG2      PRO  71   4.162   1.064  -5.247
  514    HG3  PRO  71           HG1      PRO  71   3.523  -0.125  -4.093
  515    HD2  PRO  71           HD2      PRO  71   3.624  -0.238  -7.079
  516    HD3  PRO  71           HD1      PRO  71   3.891  -1.532  -5.891
  517    H    ARG  72           HN       ARG  72   0.934   0.463  -7.873
  518    HA   ARG  72           HA       ARG  72  -1.210   2.212  -8.041
  519    HB2  ARG  72           HB2      ARG  72   0.396   1.702  -9.875
  520    HB3  ARG  72           HB1      ARG  72  -0.445   0.183 -10.143
  521    HG2  ARG  72           HG2      ARG  72  -2.540   1.593 -10.475
  522    HG3  ARG  72           HG1      ARG  72  -1.453   2.976 -10.574
  523    HD2  ARG  72           HD2      ARG  72  -1.295   0.526 -12.319
  524    HD3  ARG  72           HD1      ARG  72  -2.071   2.040 -12.776
  525    HE   ARG  72           HE       ARG  72   0.666   2.374 -11.969
  526   HH11  ARG  72          HH11      ARG  72  -1.462   1.568 -14.621
  527   HH12  ARG  72          HH12      ARG  72  -0.315   1.992 -15.855
  528   HH21  ARG  72          HH21      ARG  72   2.192   2.958 -13.588
  529   HH22  ARG  72          HH22      ARG  72   1.747   2.809 -15.268
  530    H    GLU  73           HN       GLU  73  -1.224  -1.305  -8.562
  531    HA   GLU  73           HA       GLU  73  -4.022  -1.482  -8.981
  532    HB2  GLU  73           HB2      GLU  73  -2.217  -3.704  -8.006
  533    HB3  GLU  73           HB1      GLU  73  -3.736  -3.866  -8.870
  534    HG2  GLU  73           HG2      GLU  73  -1.109  -2.887  -9.942
  535    HG3  GLU  73           HG1      GLU  73  -1.994  -4.342 -10.398
  536    H    LEU  74           HN       LEU  74  -1.963  -1.932  -6.153
  537    HA   LEU  74           HA       LEU  74  -3.891  -2.865  -4.354
  538    HB2  LEU  74           HB2      LEU  74  -1.411  -2.844  -4.015
  539    HB3  LEU  74           HB1      LEU  74  -1.498  -1.117  -3.754
  540    HG   LEU  74           HG       LEU  74  -1.324  -2.679  -1.710
  541   HD11  LEU  74          HD11      LEU  74  -3.468  -0.560  -1.826
  542   HD12  LEU  74          HD12      LEU  74  -1.752  -0.298  -1.517
  543   HD13  LEU  74          HD13      LEU  74  -2.730  -1.196  -0.356
  544   HD21  LEU  74          HD21      LEU  74  -3.056  -4.251  -2.353
  545   HD22  LEU  74          HD22      LEU  74  -4.260  -2.964  -2.332
  546   HD23  LEU  74          HD23      LEU  74  -3.473  -3.461  -0.833
  547    H    LEU  75           HN       LEU  75  -2.857   0.428  -5.119
  548    HA   LEU  75           HA       LEU  75  -4.493   1.823  -3.348
  549    HB2  LEU  75           HB2      LEU  75  -2.613   2.752  -4.699
  550    HB3  LEU  75           HB1      LEU  75  -3.631   2.666  -6.118
  551    HG   LEU  75           HG       LEU  75  -4.518   4.288  -3.755
  552   HD11  LEU  75          HD11      LEU  75  -2.611   5.192  -5.911
  553   HD12  LEU  75          HD12      LEU  75  -2.230   5.001  -4.200
  554   HD13  LEU  75          HD13      LEU  75  -3.383   6.232  -4.713
  555   HD21  LEU  75          HD21      LEU  75  -4.921   4.557  -6.735
  556   HD22  LEU  75          HD22      LEU  75  -5.613   5.608  -5.499
  557   HD23  LEU  75          HD23      LEU  75  -6.095   3.915  -5.586
  558    H    ASP  76           HN       ASP  76  -5.118   0.728  -6.664
  559    HA   ASP  76           HA       ASP  76  -7.693   1.907  -6.888
  560    HB2  ASP  76           HB2      ASP  76  -6.310   1.199  -8.840
  561    HB3  ASP  76           HB1      ASP  76  -6.617  -0.479  -8.406
  562    H    LEU  77           HN       LEU  77  -6.566  -1.246  -5.824
  563    HA   LEU  77           HA       LEU  77  -9.014  -2.592  -5.793
  564    HB2  LEU  77           HB2      LEU  77  -6.835  -3.693  -5.534
  565    HB3  LEU  77           HB1      LEU  77  -6.639  -2.943  -3.963
  566    HG   LEU  77           HG       LEU  77  -8.618  -4.211  -3.152
  567   HD11  LEU  77          HD11      LEU  77  -9.733  -4.546  -5.300
  568   HD12  LEU  77          HD12      LEU  77  -9.450  -6.083  -4.484
  569   HD13  LEU  77          HD13      LEU  77  -8.417  -5.594  -5.827
  570   HD21  LEU  77          HD21      LEU  77  -7.475  -6.357  -3.004
  571   HD22  LEU  77          HD22      LEU  77  -6.346  -5.021  -2.776
  572   HD23  LEU  77          HD23      LEU  77  -6.395  -5.883  -4.314
  573    H    ILE  78           HN       ILE  78  -7.401  -0.767  -3.203
  574    HA   ILE  78           HA       ILE  78  -9.480  -1.185  -1.317
  575    HB   ILE  78           HB       ILE  78  -7.326   0.930  -1.387
  576   HG12  ILE  78          HG12      ILE  78  -7.548  -1.708   0.083
  577   HG13  ILE  78          HG11      ILE  78  -6.468  -1.354  -1.261
  578   HG21  ILE  78          HG21      ILE  78  -7.800   1.260   0.999
  579   HG22  ILE  78          HG22      ILE  78  -9.159   0.141   0.879
  580   HG23  ILE  78          HG23      ILE  78  -9.195   1.669  -0.002
  581   HD11  ILE  78          HD11      ILE  78  -5.303   0.292   0.128
  582   HD12  ILE  78          HD12      ILE  78  -5.260  -1.324   0.829
  583   HD13  ILE  78          HD13      ILE  78  -6.364  -0.111   1.480
  584    H    ASN  79           HN       ASN  79  -8.802   1.365  -3.659
  585    HA   ASN  79           HA       ASN  79 -10.850   3.140  -2.856
  586    HB2  ASN  79           HB2      ASN  79  -9.207   2.779  -5.311
  587    HB3  ASN  79           HB1      ASN  79 -10.675   3.741  -5.451
  588   HD21  ASN  79          HD21      ASN  79  -7.525   3.514  -3.997
  589   HD22  ASN  79          HD22      ASN  79  -7.427   5.169  -3.492
  590    H    GLY  80           HN       GLY  80 -10.804   0.394  -5.072
  591    HA2  GLY  80           HA2      GLY  80 -13.411   0.711  -6.114
  592    HA3  GLY  80           HA1      GLY  80 -12.499  -0.790  -6.063
  593    H    ALA  81           HN       ALA  81 -12.208  -0.870  -3.212
  594    HA   ALA  81           HA       ALA  81 -14.689  -2.096  -2.515
  595    HB1  ALA  81           HB1      ALA  81 -12.322  -1.440  -0.760
  596    HB2  ALA  81           HB2      ALA  81 -12.533  -2.928  -1.681
  597    HB3  ALA  81           HB3      ALA  81 -13.638  -2.544  -0.362
  598    H    LEU  82           HN       LEU  82 -13.251   1.035  -1.995
  599    HA   LEU  82           HA       LEU  82 -15.151   1.848   0.010
  600    HB2  LEU  82           HB2      LEU  82 -13.191   3.419  -1.665
  601    HB3  LEU  82           HB1      LEU  82 -14.202   4.130  -0.421
  602    HG   LEU  82           HG       LEU  82 -12.113   1.996   0.043
  603   HD11  LEU  82          HD11      LEU  82 -10.860   3.774   1.162
  604   HD12  LEU  82          HD12      LEU  82 -12.086   4.944   0.675
  605   HD13  LEU  82          HD13      LEU  82 -11.112   4.129  -0.548
  606   HD21  LEU  82          HD21      LEU  82 -12.515   2.449   2.415
  607   HD22  LEU  82          HD22      LEU  82 -13.967   1.846   1.616
  608   HD23  LEU  82          HD23      LEU  82 -13.811   3.565   1.984
  609    H    ALA  83           HN       ALA  83 -14.755   2.255  -3.470
  610    HA   ALA  83           HA       ALA  83 -16.906   4.021  -3.896
  611    HB1  ALA  83           HB1      ALA  83 -16.754   3.394  -6.228
  612    HB2  ALA  83           HB2      ALA  83 -15.792   1.975  -5.811
  613    HB3  ALA  83           HB3      ALA  83 -15.136   3.592  -5.553
  614    H    GLU  84           HN       GLU  84 -16.852   0.767  -3.011
  615    HA   GLU  84           HA       GLU  84 -19.261  -0.203  -4.080
  616    HB2  GLU  84           HB2      GLU  84 -17.626  -1.656  -3.013
  617    HB3  GLU  84           HB1      GLU  84 -17.839  -0.820  -1.482
  618    HG2  GLU  84           HG2      GLU  84 -18.987  -2.895  -1.372
  619    HG3  GLU  84           HG1      GLU  84 -20.189  -1.608  -1.445
  620    H    ALA  85           HN       ALA  85 -18.565   1.394  -0.971
  621    HA   ALA  85           HA       ALA  85 -21.455   1.600  -0.472
  622    HB1  ALA  85           HB1      ALA  85 -19.143   1.861   1.452
  623    HB2  ALA  85           HB2      ALA  85 -20.175   0.444   1.253
  624    HB3  ALA  85           HB3      ALA  85 -20.853   1.947   1.876
  625    H    ALA  86           HN       ALA  86 -19.175   3.424  -1.839
  626    HA   ALA  86           HA       ALA  86 -20.150   5.916  -0.621
  627    HB1  ALA  86           HB1      ALA  86 -17.505   5.455  -1.992
  628    HB2  ALA  86           HB2      ALA  86 -17.755   5.588  -0.251
  629    HB3  ALA  86           HB3      ALA  86 -18.062   6.975  -1.293
  630    H28  SXO  87          H28B      SXO  87   6.475 -12.127   6.976
  631   H28A  SXO  87          H28A      SXO  87   7.312 -13.186   8.115
  632    H30  SXO  87          H30A      SXO  87   4.914 -12.956   9.078
  633   H30A  SXO  87          H30C      SXO  87   4.267 -12.281   7.584
  634   H30B  SXO  87          H30B      SXO  87   3.588 -13.768   8.246
  635    H31  SXO  87          H31A      SXO  87   4.681 -13.389   5.424
  636   H31A  SXO  87          H31B      SXO  87   4.043 -14.922   6.018
  637   H31B  SXO  87          H31C      SXO  87   5.673 -14.844   5.345
  638    H32  SXO  87          H32A      SXO  87   5.995 -15.157   9.082
  639   HO33  SXO  87          H33A      SXO  87   6.685 -16.855   7.119
  640   HN36  SXO  87          H36A      SXO  87   3.503 -15.181   9.112
  641    H37  SXO  87          H37A      SXO  87   2.432 -17.649   7.898
  642   H37A  SXO  87          H37B      SXO  87   2.101 -17.179   9.568
  643    H38  SXO  87          H38B      SXO  87   0.914 -15.206   8.804
  644   H38A  SXO  87          H38A      SXO  87   0.224 -16.650   8.063
  645   HN41  SXO  87          H41A      SXO  87   0.385 -13.740   7.351
  646    H42  SXO  87          H42A      SXO  87   1.963 -13.457   5.000
  647   H42A  SXO  87          H42B      SXO  87   0.271 -13.780   4.611
  648    H43  SXO  87          H43B      SXO  87  -0.447 -11.770   5.606
  649   H43A  SXO  87          H43A      SXO  87   1.061 -11.598   6.524
  650    H2   SXO  87           H2A      SXO  87   0.016 -11.227   0.900
  651    H2A  SXO  87           H2B      SXO  87   1.707 -11.286   1.396
  652    H3   SXO  87           H3B      SXO  87   1.552  -9.060   2.332
  653    H3A  SXO  87           H3A      SXO  87   1.025  -9.043   0.648
  654    H4   SXO  87           H4A      SXO  87  -0.798  -9.127   3.055
  655    H4A  SXO  87           H4B      SXO  87  -1.309  -9.078   1.368
  656    H5   SXO  87           H5B      SXO  87  -1.446  -6.866   2.411
  657    H5A  SXO  87           H5A      SXO  87   0.276  -6.938   2.793
  658    H6   SXO  87           H6A      SXO  87  -0.921  -7.000   0.019
  659    H6A  SXO  87           H6B      SXO  87   0.802  -7.047   0.403
  660    H7   SXO  87           H7A      SXO  87   0.177  -4.791  -0.236
  661    H7A  SXO  87           H7B      SXO  87   0.576  -4.822   1.491
  662    H8   SXO  87           H8C      SXO  87  -1.808  -4.961   2.023
  663    H8A  SXO  87           H8A      SXO  87  -2.196  -4.921   0.301
  664    H8B  SXO  87           H8B      SXO  87  -1.450  -3.522   1.073
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1 -18.615  14.656   0.836
    2    H2   MET   1           HT2      MET   1 -18.915  13.200   0.021
    3    H3   MET   1           HT3      MET   1 -18.816  14.649  -0.850
    4    HA   MET   1           HA       MET   1 -16.826  13.371  -1.139
    5    HB2  MET   1           HB2      MET   1 -15.199  15.062  -0.460
    6    HB3  MET   1           HB1      MET   1 -16.643  15.811  -1.118
    7    HG2  MET   1           HG2      MET   1 -17.419  16.247   1.181
    8    HG3  MET   1           HG1      MET   1 -15.901  15.581   1.786
    9    HE1  MET   1           HE1      MET   1 -16.475  17.773  -1.450
   10    HE2  MET   1           HE2      MET   1 -16.160  19.391  -0.824
   11    HE3  MET   1           HE3      MET   1 -17.580  18.497  -0.282
   12    H    ALA   2           HN       ALA   2 -15.161  12.166  -0.315
   13    HA   ALA   2           HA       ALA   2 -15.016  11.804   2.579
   14    HB1  ALA   2           HB1      ALA   2 -15.124   9.377   2.395
   15    HB2  ALA   2           HB2      ALA   2 -15.405   9.507   0.659
   16    HB3  ALA   2           HB3      ALA   2 -16.611  10.112   1.794
   17    H    THR   3           HN       THR   3 -13.030  10.911   3.280
   18    HA   THR   3           HA       THR   3 -10.809  11.590   1.613
   19    HB   THR   3           HB       THR   3  -9.490  10.541   3.536
   20    HG1  THR   3           HG1      THR   3 -11.377   9.259   4.221
   21   HG21  THR   3          HG21      THR   3  -9.896  12.950   3.326
   22   HG22  THR   3          HG22      THR   3  -9.915  12.439   5.015
   23   HG23  THR   3          HG23      THR   3 -11.430  12.770   4.173
   24    H    LEU   4           HN       LEU   4 -10.480  10.329  -0.110
   25    HA   LEU   4           HA       LEU   4 -10.615   7.439   0.037
   26    HB2  LEU   4           HB2      LEU   4  -9.769   9.290  -2.196
   27    HB3  LEU   4           HB1      LEU   4  -9.902   7.551  -2.341
   28    HG   LEU   4           HG       LEU   4 -12.191   9.441  -1.776
   29   HD11  LEU   4          HD11      LEU   4 -11.481   7.880  -4.254
   30   HD12  LEU   4          HD12      LEU   4 -11.373   9.630  -4.059
   31   HD13  LEU   4          HD13      LEU   4 -12.947   8.831  -4.018
   32   HD21  LEU   4          HD21      LEU   4 -13.603   7.464  -2.090
   33   HD22  LEU   4          HD22      LEU   4 -12.518   7.279  -0.709
   34   HD23  LEU   4          HD23      LEU   4 -12.160   6.461  -2.231
   35    H    LEU   5           HN       LEU   5  -8.647   6.286  -1.097
   36    HA   LEU   5           HA       LEU   5  -6.257   7.100   0.369
   37    HB2  LEU   5           HB2      LEU   5  -7.146   4.709   0.257
   38    HB3  LEU   5           HB1      LEU   5  -6.627   4.690  -1.413
   39    HG   LEU   5           HG       LEU   5  -4.709   5.214   0.854
   40   HD11  LEU   5          HD11      LEU   5  -4.113   2.843   0.709
   41   HD12  LEU   5          HD12      LEU   5  -5.441   2.581  -0.420
   42   HD13  LEU   5          HD13      LEU   5  -5.778   3.066   1.243
   43   HD21  LEU   5          HD21      LEU   5  -3.973   5.830  -1.426
   44   HD22  LEU   5          HD22      LEU   5  -4.269   4.170  -1.946
   45   HD23  LEU   5          HD23      LEU   5  -3.028   4.510  -0.740
   46    H    THR   6           HN       THR   6  -4.723   8.322  -0.616
   47    HA   THR   6           HA       THR   6  -4.738   8.365  -3.562
   48    HB   THR   6           HB       THR   6  -5.433  10.510  -2.495
   49    HG1  THR   6           HG1      THR   6  -3.395  11.632  -3.611
   50   HG21  THR   6          HG21      THR   6  -3.739  11.898  -1.401
   51   HG22  THR   6          HG22      THR   6  -2.580  10.577  -1.518
   52   HG23  THR   6          HG23      THR   6  -4.011  10.404  -0.503
   53    H    THR   7           HN       THR   7  -2.604   9.151  -4.471
   54    HA   THR   7           HA       THR   7  -0.630   7.249  -4.008
   55    HB   THR   7           HB       THR   7   0.805   9.065  -5.281
   56    HG1  THR   7           HG1      THR   7  -0.313  10.865  -5.520
   57   HG21  THR   7          HG21      THR   7  -0.194   8.315  -7.385
   58   HG22  THR   7          HG22      THR   7  -1.610   7.734  -6.510
   59   HG23  THR   7          HG23      THR   7  -0.043   6.973  -6.247
   60    H    ASP   8           HN       ASP   8  -0.934  10.551  -2.807
   61    HA   ASP   8           HA       ASP   8   1.613  10.823  -1.668
   62    HB2  ASP   8           HB2      ASP   8  -0.977  12.047  -0.690
   63    HB3  ASP   8           HB1      ASP   8   0.647  12.627  -0.334
   64    H    ASP   9           HN       ASP   9  -1.427   9.652  -0.271
   65    HA   ASP   9           HA       ASP   9  -0.423   9.163   2.318
   66    HB2  ASP   9           HB2      ASP   9  -2.775   7.983   0.844
   67    HB3  ASP   9           HB1      ASP   9  -2.404   7.616   2.526
   68    H    LEU  10           HN       LEU  10  -0.645   7.152  -0.560
   69    HA   LEU  10           HA       LEU  10   0.108   4.731   0.621
   70    HB2  LEU  10           HB2      LEU  10  -0.807   5.121  -1.701
   71    HB3  LEU  10           HB1      LEU  10   0.805   5.624  -2.168
   72    HG   LEU  10           HG       LEU  10   1.678   3.403  -1.645
   73   HD11  LEU  10          HD11      LEU  10   0.151   1.580  -1.069
   74   HD12  LEU  10          HD12      LEU  10  -1.183   2.727  -0.970
   75   HD13  LEU  10          HD13      LEU  10   0.155   2.830   0.174
   76   HD21  LEU  10          HD21      LEU  10   0.579   2.174  -3.436
   77   HD22  LEU  10          HD22      LEU  10   0.815   3.861  -3.897
   78   HD23  LEU  10          HD23      LEU  10  -0.778   3.298  -3.391
   79    H    ARG  11           HN       ARG  11   2.065   7.288  -0.872
   80    HA   ARG  11           HA       ARG  11   4.580   6.137  -0.573
   81    HB2  ARG  11           HB2      ARG  11   4.387   8.094  -1.906
   82    HB3  ARG  11           HB1      ARG  11   3.699   9.018  -0.579
   83    HG2  ARG  11           HG2      ARG  11   5.783   9.135   0.539
   84    HG3  ARG  11           HG1      ARG  11   6.495   7.927  -0.530
   85    HD2  ARG  11           HD2      ARG  11   7.191  10.270  -1.021
   86    HD3  ARG  11           HD1      ARG  11   6.455   9.428  -2.380
   87    HE   ARG  11           HE       ARG  11   4.348  10.709  -1.490
   88   HH11  ARG  11          HH11      ARG  11   7.633  11.882  -1.643
   89   HH12  ARG  11          HH12      ARG  11   7.184  13.517  -2.014
   90   HH21  ARG  11          HH21      ARG  11   3.736  12.872  -2.037
   91   HH22  ARG  11          HH22      ARG  11   4.974  14.066  -2.263
   92    H    ARG  12           HN       ARG  12   2.833   8.236   1.732
   93    HA   ARG  12           HA       ARG  12   4.975   8.231   3.604
   94    HB2  ARG  12           HB2      ARG  12   3.304   9.253   5.168
   95    HB3  ARG  12           HB1      ARG  12   3.514  10.104   3.643
   96    HG2  ARG  12           HG2      ARG  12   1.487   9.116   2.782
   97    HG3  ARG  12           HG1      ARG  12   1.270   8.202   4.272
   98    HD2  ARG  12           HD2      ARG  12   1.378  11.208   4.148
   99    HD3  ARG  12           HD1      ARG  12  -0.119  10.279   4.099
  100    HE   ARG  12           HE       ARG  12   1.171   9.387   6.345
  101   HH11  ARG  12          HH11      ARG  12   0.061  12.494   5.166
  102   HH12  ARG  12          HH12      ARG  12  -0.148  13.175   6.744
  103   HH21  ARG  12          HH21      ARG  12   0.866  10.247   8.433
  104   HH22  ARG  12          HH22      ARG  12   0.281  11.880   8.618
  105    H    ALA  13           HN       ALA  13   2.225   6.167   3.097
  106    HA   ALA  13           HA       ALA  13   1.938   5.135   5.686
  107    HB1  ALA  13           HB1      ALA  13   0.676   3.338   4.680
  108    HB2  ALA  13           HB2      ALA  13   1.344   3.717   3.094
  109    HB3  ALA  13           HB3      ALA  13   0.266   4.862   3.892
  110    H    LEU  14           HN       LEU  14   4.049   4.170   3.035
  111    HA   LEU  14           HA       LEU  14   4.973   1.753   4.186
  112    HB2  LEU  14           HB2      LEU  14   6.010   3.583   2.056
  113    HB3  LEU  14           HB1      LEU  14   7.021   2.282   2.650
  114    HG   LEU  14           HG       LEU  14   5.907   1.595   0.616
  115   HD11  LEU  14          HD11      LEU  14   4.812  -0.449   1.397
  116   HD12  LEU  14          HD12      LEU  14   4.739   0.219   3.029
  117   HD13  LEU  14          HD13      LEU  14   6.300  -0.121   2.283
  118   HD21  LEU  14          HD21      LEU  14   3.321   2.142   2.061
  119   HD22  LEU  14          HD22      LEU  14   3.481   1.382   0.478
  120   HD23  LEU  14          HD23      LEU  14   3.968   3.063   0.704
  121    H    VAL  15           HN       VAL  15   5.802   5.077   4.673
  122    HA   VAL  15           HA       VAL  15   8.252   4.470   6.106
  123    HB   VAL  15           HB       VAL  15   6.817   7.116   5.832
  124   HG11  VAL  15          HG11      VAL  15   8.989   8.096   6.385
  125   HG12  VAL  15          HG12      VAL  15   9.667   6.482   6.584
  126   HG13  VAL  15          HG13      VAL  15   8.407   7.049   7.681
  127   HG21  VAL  15          HG21      VAL  15   7.392   6.198   3.634
  128   HG22  VAL  15          HG22      VAL  15   9.065   5.997   4.158
  129   HG23  VAL  15          HG23      VAL  15   8.370   7.612   4.023
  130    H    GLU  16           HN       GLU  16   4.923   5.293   6.758
  131    HA   GLU  16           HA       GLU  16   5.313   5.802   9.552
  132    HB2  GLU  16           HB2      GLU  16   2.785   5.370   7.950
  133    HB3  GLU  16           HB1      GLU  16   2.835   5.889   9.632
  134    HG2  GLU  16           HG2      GLU  16   4.015   7.912   8.996
  135    HG3  GLU  16           HG1      GLU  16   4.037   7.389   7.312
  136    H    SER  17           HN       SER  17   5.011   2.975   7.707
  137    HA   SER  17           HA       SER  17   3.962   1.378   9.877
  138    HB2  SER  17           HB2      SER  17   4.539  -0.533   8.292
  139    HB3  SER  17           HB1      SER  17   3.341   0.624   7.710
  140    HG   SER  17           HG       SER  17   4.916   0.165   6.117
  141    H    ALA  18           HN       ALA  18   7.012   1.317   8.030
  142    HA   ALA  18           HA       ALA  18   8.299  -0.164  10.161
  143    HB1  ALA  18           HB1      ALA  18   9.428   0.838   7.551
  144    HB2  ALA  18           HB2      ALA  18   8.719  -0.755   7.823
  145    HB3  ALA  18           HB3      ALA  18  10.205  -0.298   8.655
  146    H    GLY  19           HN       GLY  19   9.252   2.774   8.368
  147    HA2  GLY  19           HA2      GLY  19   9.797   4.847   9.432
  148    HA3  GLY  19           HA1      GLY  19  10.159   3.958  10.902
  149    H    GLU  20           HN       GLU  20  11.843   5.891   9.601
  150    HA   GLU  20           HA       GLU  20  14.012   6.234   9.081
  151    HB2  GLU  20           HB2      GLU  20  14.232   3.407  10.114
  152    HB3  GLU  20           HB1      GLU  20  15.633   4.323   9.594
  153    HG2  GLU  20           HG2      GLU  20  15.047   6.069  11.254
  154    HG3  GLU  20           HG1      GLU  20  13.764   5.011  11.839
  155    H    THR  21           HN       THR  21  15.945   4.753   7.814
  156    HA   THR  21           HA       THR  21  16.701   4.027   5.847
  157    HB   THR  21           HB       THR  21  15.413   2.347   4.577
  158    HG1  THR  21           HG1      THR  21  13.358   3.259   6.073
  159   HG21  THR  21          HG21      THR  21  15.680   1.837   7.540
  160   HG22  THR  21          HG22      THR  21  16.953   1.664   6.330
  161   HG23  THR  21          HG23      THR  21  15.550   0.593   6.296
  162    H    ASP  22           HN       ASP  22  15.958   6.469   5.728
  163    HA   ASP  22           HA       ASP  22  14.171   7.007   3.529
  164    HB2  ASP  22           HB2      ASP  22  16.081   8.845   4.996
  165    HB3  ASP  22           HB1      ASP  22  14.893   9.359   3.807
  166    H    GLY  23           HN       GLY  23  15.265   5.613   1.984
  167    HA2  GLY  23           HA2      GLY  23  17.133   7.117   0.402
  168    HA3  GLY  23           HA1      GLY  23  17.866   5.717   1.170
  169    H    THR  24           HN       THR  24  14.922   6.521  -0.674
  170    HA   THR  24           HA       THR  24  15.634   4.733  -2.765
  171    HB   THR  24           HB       THR  24  14.735   3.123  -1.028
  172    HG1  THR  24           HG1      THR  24  14.662   2.337  -3.051
  173   HG21  THR  24          HG21      THR  24  12.947   4.562  -0.135
  174   HG22  THR  24          HG22      THR  24  12.321   3.014  -0.700
  175   HG23  THR  24          HG23      THR  24  12.106   4.461  -1.682
  176    H    ASP  25           HN       ASP  25  13.654   4.573  -4.356
  177    HA   ASP  25           HA       ASP  25  12.694   7.333  -4.527
  178    HB2  ASP  25           HB2      ASP  25  13.248   5.251  -6.614
  179    HB3  ASP  25           HB1      ASP  25  12.223   6.639  -6.972
  180    H    LEU  26           HN       LEU  26  10.967   7.039  -3.106
  181    HA   LEU  26           HA       LEU  26   8.672   5.565  -4.208
  182    HB2  LEU  26           HB2      LEU  26   9.026   6.974  -1.553
  183    HB3  LEU  26           HB1      LEU  26   7.588   6.106  -2.051
  184    HG   LEU  26           HG       LEU  26  10.306   4.854  -1.635
  185   HD11  LEU  26          HD11      LEU  26   7.822   4.758   0.066
  186   HD12  LEU  26          HD12      LEU  26   9.313   5.619   0.455
  187   HD13  LEU  26          HD13      LEU  26   9.313   3.859   0.350
  188   HD21  LEU  26          HD21      LEU  26   9.087   2.737  -1.803
  189   HD22  LEU  26          HD22      LEU  26   8.969   3.670  -3.295
  190   HD23  LEU  26          HD23      LEU  26   7.607   3.620  -2.178
  191    H    SER  27           HN       SER  27  10.090   8.276  -4.837
  192    HA   SER  27           HA       SER  27   7.881  10.136  -4.426
  193    HB2  SER  27           HB2      SER  27   9.815  11.709  -5.341
  194    HB3  SER  27           HB1      SER  27   9.778  11.171  -3.659
  195    HG   SER  27           HG       SER  27  11.612  10.635  -5.599
  196    H    GLY  28           HN       GLY  28   8.193   8.008  -6.695
  197    HA2  GLY  28           HA2      GLY  28   6.745   9.411  -8.603
  198    HA3  GLY  28           HA1      GLY  28   8.428   9.524  -9.085
  199    H    ASP  29           HN       ASP  29   5.805   8.051  -9.911
  200    HA   ASP  29           HA       ASP  29   5.281   6.236 -11.142
  201    HB2  ASP  29           HB2      ASP  29   8.250   6.395 -11.605
  202    HB3  ASP  29           HB1      ASP  29   7.243   5.210 -12.429
  203    H    PHE  30           HN       PHE  30   5.777   5.726  -8.332
  204    HA   PHE  30           HA       PHE  30   7.180   3.205  -8.223
  205    HB2  PHE  30           HB2      PHE  30   6.824   3.268  -5.828
  206    HB3  PHE  30           HB1      PHE  30   7.383   4.841  -6.374
  207    HD1  PHE  30           HD2      PHE  30   5.588   6.658  -6.735
  208    HD2  PHE  30           HD1      PHE  30   4.925   3.076  -4.538
  209    HE1  PHE  30           HE2      PHE  30   3.678   7.710  -5.601
  210    HE2  PHE  30           HE1      PHE  30   3.016   4.124  -3.397
  211    HZ   PHE  30           HZ       PHE  30   2.390   6.445  -3.927
  212    H    LEU  31           HN       LEU  31   3.929   4.251  -8.630
  213    HA   LEU  31           HA       LEU  31   2.516   2.069  -7.607
  214    HB2  LEU  31           HB2      LEU  31   1.816   3.720 -10.035
  215    HB3  LEU  31           HB1      LEU  31   0.725   2.654  -9.178
  216    HG   LEU  31           HG       LEU  31   1.927   5.228  -8.169
  217   HD11  LEU  31          HD11      LEU  31   0.010   5.475  -9.643
  218   HD12  LEU  31          HD12      LEU  31  -0.421   5.891  -7.985
  219   HD13  LEU  31          HD13      LEU  31  -0.910   4.336  -8.658
  220   HD21  LEU  31          HD21      LEU  31   0.230   3.228  -6.673
  221   HD22  LEU  31          HD22      LEU  31   0.718   4.819  -6.084
  222   HD23  LEU  31          HD23      LEU  31   1.933   3.571  -6.368
  223    H    ASP  32           HN       ASP  32   4.439   2.307 -10.481
  224    HA   ASP  32           HA       ASP  32   3.276  -0.115 -11.629
  225    HB2  ASP  32           HB2      ASP  32   3.641   1.677 -13.190
  226    HB3  ASP  32           HB1      ASP  32   5.310   1.864 -12.669
  227    H    LEU  33           HN       LEU  33   5.908   0.869  -9.719
  228    HA   LEU  33           HA       LEU  33   7.596  -1.380 -10.416
  229    HB2  LEU  33           HB2      LEU  33   7.874   0.660  -8.202
  230    HB3  LEU  33           HB1      LEU  33   9.094  -0.501  -8.684
  231    HG   LEU  33           HG       LEU  33   8.059   1.746 -10.423
  232   HD11  LEU  33          HD11      LEU  33  10.673   1.447  -8.954
  233   HD12  LEU  33          HD12      LEU  33   9.372   2.562  -8.535
  234   HD13  LEU  33          HD13      LEU  33  10.246   2.755 -10.056
  235   HD21  LEU  33          HD21      LEU  33   9.948   1.128 -11.874
  236   HD22  LEU  33          HD22      LEU  33   8.760  -0.168 -11.728
  237   HD23  LEU  33          HD23      LEU  33  10.278  -0.256 -10.832
  238    H    ARG  34           HN       ARG  34   7.667  -3.278  -9.334
  239    HA   ARG  34           HA       ARG  34   5.593  -3.921  -7.503
  240    HB2  ARG  34           HB2      ARG  34   8.103  -5.491  -8.110
  241    HB3  ARG  34           HB1      ARG  34   6.654  -6.112  -7.333
  242    HG2  ARG  34           HG2      ARG  34   5.400  -5.629  -9.424
  243    HG3  ARG  34           HG1      ARG  34   6.932  -5.188 -10.186
  244    HD2  ARG  34           HD2      ARG  34   7.777  -7.469  -9.529
  245    HD3  ARG  34           HD1      ARG  34   6.123  -7.866  -9.073
  246    HE   ARG  34           HE       ARG  34   6.545  -6.898 -11.791
  247   HH11  ARG  34          HH11      ARG  34   5.876  -9.598  -9.646
  248   HH12  ARG  34          HH12      ARG  34   5.595 -10.707 -10.952
  249   HH21  ARG  34          HH21      ARG  34   6.146  -8.362 -13.484
  250   HH22  ARG  34          HH22      ARG  34   5.771 -10.022 -13.124
  251    H    PHE  35           HN       PHE  35   5.795  -4.553  -5.296
  252    HA   PHE  35           HA       PHE  35   7.303  -2.937  -3.626
  253    HB2  PHE  35           HB2      PHE  35   6.317  -5.726  -2.973
  254    HB3  PHE  35           HB1      PHE  35   6.711  -4.458  -1.817
  255    HD1  PHE  35           HD2      PHE  35   5.389  -2.206  -2.187
  256    HD2  PHE  35           HD1      PHE  35   4.117  -6.028  -3.551
  257    HE1  PHE  35           HE2      PHE  35   3.067  -1.395  -2.273
  258    HE2  PHE  35           HE1      PHE  35   1.792  -5.229  -3.643
  259    HZ   PHE  35           HZ       PHE  35   1.262  -2.914  -3.012
  260    H    GLU  36           HN       GLU  36   8.188  -5.859  -5.227
  261    HA   GLU  36           HA       GLU  36  10.471  -6.649  -3.850
  262    HB2  GLU  36           HB2      GLU  36   9.793  -6.768  -6.791
  263    HB3  GLU  36           HB1      GLU  36  11.157  -7.604  -6.065
  264    HG2  GLU  36           HG2      GLU  36   8.334  -8.041  -5.144
  265    HG3  GLU  36           HG1      GLU  36   9.060  -8.955  -6.468
  266    H    ASP  37           HN       ASP  37  10.020  -4.048  -6.191
  267    HA   ASP  37           HA       ASP  37  12.877  -3.729  -6.587
  268    HB2  ASP  37           HB2      ASP  37  11.382  -3.455  -8.509
  269    HB3  ASP  37           HB1      ASP  37  10.552  -2.137  -7.687
  270    H    ILE  38           HN       ILE  38  10.321  -2.266  -4.745
  271    HA   ILE  38           HA       ILE  38  11.984   0.017  -4.061
  272    HB   ILE  38           HB       ILE  38  10.049   0.725  -2.640
  273   HG12  ILE  38          HG12      ILE  38   8.680  -1.617  -3.981
  274   HG13  ILE  38          HG11      ILE  38   9.079  -1.518  -2.268
  275   HG21  ILE  38          HG21      ILE  38   9.492   0.200  -5.556
  276   HG22  ILE  38          HG22      ILE  38  10.371   1.578  -4.895
  277   HG23  ILE  38          HG23      ILE  38   8.651   1.378  -4.550
  278   HD11  ILE  38          HD11      ILE  38   7.564   0.396  -2.043
  279   HD12  ILE  38          HD12      ILE  38   6.734  -1.042  -2.638
  280   HD13  ILE  38          HD13      ILE  38   7.151   0.261  -3.752
  281    H    GLY  39           HN       GLY  39  12.168  -3.008  -3.160
  282    HA2  GLY  39           HA2      GLY  39  13.337  -3.999  -1.461
  283    HA3  GLY  39           HA1      GLY  39  13.750  -2.386  -0.903
  284    H    TYR  40           HN       TYR  40  10.616  -4.108  -1.101
  285    HA   TYR  40           HA       TYR  40  10.466  -3.803   1.817
  286    HB2  TYR  40           HB2      TYR  40   8.371  -3.295  -0.257
  287    HB3  TYR  40           HB1      TYR  40   7.887  -3.817   1.355
  288    HD1  TYR  40           HD2      TYR  40   8.298  -2.383   3.297
  289    HD2  TYR  40           HD1      TYR  40   9.315  -1.110  -0.631
  290    HE1  TYR  40           HE2      TYR  40   8.487  -0.066   4.103
  291    HE2  TYR  40           HE1      TYR  40   9.509   1.205   0.161
  292    HH   TYR  40           HH       TYR  40   8.700   2.601   1.985
  293    H    ASP  41           HN       ASP  41  10.362  -5.584   2.915
  294    HA   ASP  41           HA       ASP  41   9.934  -8.133   1.651
  295    HB2  ASP  41           HB2      ASP  41  10.646  -7.250   4.426
  296    HB3  ASP  41           HB1      ASP  41  10.121  -8.906   4.142
  297    H    SER  42           HN       SER  42   8.507  -9.740   2.613
  298    HA   SER  42           HA       SER  42   5.841  -9.107   2.365
  299    HB2  SER  42           HB2      SER  42   5.415 -11.323   3.411
  300    HB3  SER  42           HB1      SER  42   6.693 -11.385   2.194
  301    H    LEU  43           HN       LEU  43   7.622  -9.607   5.383
  302    HA   LEU  43           HA       LEU  43   5.523  -9.230   7.167
  303    HB2  LEU  43           HB2      LEU  43   7.800 -10.129   7.685
  304    HB3  LEU  43           HB1      LEU  43   8.408  -8.488   7.632
  305    HG   LEU  43           HG       LEU  43   6.914  -7.896   9.515
  306   HD11  LEU  43          HD11      LEU  43   6.327 -10.852   9.580
  307   HD12  LEU  43          HD12      LEU  43   5.194  -9.587   9.110
  308   HD13  LEU  43          HD13      LEU  43   5.799  -9.656  10.766
  309   HD21  LEU  43          HD21      LEU  43   8.764 -10.229  10.001
  310   HD22  LEU  43          HD22      LEU  43   8.171  -9.113  11.231
  311   HD23  LEU  43          HD23      LEU  43   9.220  -8.525   9.941
  312    H    ALA  44           HN       ALA  44   7.885  -6.834   6.008
  313    HA   ALA  44           HA       ALA  44   6.818  -4.661   7.456
  314    HB1  ALA  44           HB1      ALA  44   9.079  -4.639   6.506
  315    HB2  ALA  44           HB2      ALA  44   8.143  -3.244   5.970
  316    HB3  ALA  44           HB3      ALA  44   8.395  -4.610   4.881
  317    H    LEU  45           HN       LEU  45   6.086  -6.045   4.326
  318    HA   LEU  45           HA       LEU  45   4.448  -3.982   3.341
  319    HB2  LEU  45           HB2      LEU  45   5.348  -5.808   1.959
  320    HB3  LEU  45           HB1      LEU  45   4.313  -6.951   2.793
  321    HG   LEU  45           HG       LEU  45   2.330  -5.692   1.908
  322   HD11  LEU  45          HD11      LEU  45   3.458  -3.561   1.507
  323   HD12  LEU  45          HD12      LEU  45   2.673  -4.165   0.049
  324   HD13  LEU  45          HD13      LEU  45   4.421  -4.313   0.235
  325   HD21  LEU  45          HD21      LEU  45   3.146  -7.747   0.853
  326   HD22  LEU  45          HD22      LEU  45   4.228  -6.795  -0.161
  327   HD23  LEU  45          HD23      LEU  45   2.481  -6.623  -0.333
  328    H    MET  46           HN       MET  46   3.645  -6.942   5.163
  329    HA   MET  46           HA       MET  46   0.851  -6.486   5.138
  330    HB2  MET  46           HB2      MET  46   0.641  -8.295   6.672
  331    HB3  MET  46           HB1      MET  46   1.958  -8.704   5.586
  332    HG2  MET  46           HG2      MET  46   3.580  -8.105   7.271
  333    HG3  MET  46           HG1      MET  46   2.294  -7.576   8.351
  334    HE1  MET  46           HE1      MET  46   0.456 -11.004   9.054
  335    HE2  MET  46           HE2      MET  46   0.104  -9.919   7.708
  336    HE3  MET  46           HE3      MET  46   0.420  -9.261   9.313
  337    H    GLU  47           HN       GLU  47   3.392  -5.482   7.344
  338    HA   GLU  47           HA       GLU  47   1.697  -4.497   9.382
  339    HB2  GLU  47           HB2      GLU  47   4.495  -3.676   8.596
  340    HB3  GLU  47           HB1      GLU  47   3.677  -3.129  10.053
  341    HG2  GLU  47           HG2      GLU  47   3.493  -5.475  10.785
  342    HG3  GLU  47           HG1      GLU  47   4.405  -5.958   9.358
  343    H    THR  48           HN       THR  48   3.037  -3.058   6.465
  344    HA   THR  48           HA       THR  48   2.124  -0.432   6.851
  345    HB   THR  48           HB       THR  48   2.456  -1.850   4.203
  346    HG1  THR  48           HG1      THR  48   4.387  -2.070   5.330
  347   HG21  THR  48          HG21      THR  48   3.000   0.405   3.384
  348   HG22  THR  48          HG22      THR  48   2.654   1.057   4.987
  349   HG23  THR  48          HG23      THR  48   1.362   0.324   4.038
  350    H    ALA  49           HN       ALA  49   0.539  -3.309   5.630
  351    HA   ALA  49           HA       ALA  49  -1.742  -2.204   4.482
  352    HB1  ALA  49           HB1      ALA  49  -1.154  -4.574   4.306
  353    HB2  ALA  49           HB2      ALA  49  -2.807  -4.362   4.886
  354    HB3  ALA  49           HB3      ALA  49  -1.525  -4.790   6.017
  355    H    ALA  50           HN       ALA  50  -1.095  -3.059   7.856
  356    HA   ALA  50           HA       ALA  50  -3.695  -2.678   8.852
  357    HB1  ALA  50           HB1      ALA  50  -2.662  -2.631  11.057
  358    HB2  ALA  50           HB2      ALA  50  -1.075  -2.414  10.322
  359    HB3  ALA  50           HB3      ALA  50  -1.965  -3.914  10.069
  360    H    ARG  51           HN       ARG  51  -1.103  -0.478   8.185
  361    HA   ARG  51           HA       ARG  51  -1.956   1.752   9.671
  362    HB2  ARG  51           HB2      ARG  51  -0.430   1.563   7.071
  363    HB3  ARG  51           HB1      ARG  51  -0.646   3.052   7.965
  364    HG2  ARG  51           HG2      ARG  51   0.807   0.596   8.904
  365    HG3  ARG  51           HG1      ARG  51   1.528   2.127   8.408
  366    HD2  ARG  51           HD2      ARG  51   0.237   3.221  10.261
  367    HD3  ARG  51           HD1      ARG  51  -0.197   1.604  10.816
  368    HE   ARG  51           HE       ARG  51   2.582   2.583  10.644
  369   HH11  ARG  51          HH11      ARG  51   0.070   0.746  12.255
  370   HH12  ARG  51          HH12      ARG  51   1.114   0.247  13.559
  371   HH21  ARG  51          HH21      ARG  51   3.934   1.923  12.336
  372   HH22  ARG  51          HH22      ARG  51   3.295   0.940  13.616
  373    H    LEU  52           HN       LEU  52  -2.571   0.823   6.307
  374    HA   LEU  52           HA       LEU  52  -4.239   3.059   5.761
  375    HB2  LEU  52           HB2      LEU  52  -3.835   0.452   4.307
  376    HB3  LEU  52           HB1      LEU  52  -4.807   1.772   3.692
  377    HG   LEU  52           HG       LEU  52  -1.855   1.946   4.291
  378   HD11  LEU  52          HD11      LEU  52  -2.216   0.464   2.438
  379   HD12  LEU  52          HD12      LEU  52  -1.624   2.010   1.826
  380   HD13  LEU  52          HD13      LEU  52  -3.334   1.603   1.694
  381   HD21  LEU  52          HD21      LEU  52  -2.986   4.090   4.520
  382   HD22  LEU  52          HD22      LEU  52  -3.747   3.876   2.943
  383   HD23  LEU  52          HD23      LEU  52  -1.999   4.073   3.057
  384    H    GLU  53           HN       GLU  53  -4.817  -0.274   6.733
  385    HA   GLU  53           HA       GLU  53  -7.573  -0.390   6.351
  386    HB2  GLU  53           HB2      GLU  53  -5.824  -1.720   8.416
  387    HB3  GLU  53           HB1      GLU  53  -7.543  -2.058   8.266
  388    HG2  GLU  53           HG2      GLU  53  -7.180  -2.801   5.962
  389    HG3  GLU  53           HG1      GLU  53  -5.454  -2.496   6.146
  390    H    SER  54           HN       SER  54  -5.834   0.386   9.362
  391    HA   SER  54           HA       SER  54  -8.163   1.019  10.819
  392    HB2  SER  54           HB2      SER  54  -6.056   0.359  11.898
  393    HB3  SER  54           HB1      SER  54  -5.297   1.847  11.338
  394    HG   SER  54           HG       SER  54  -7.650   1.927  12.892
  395    H    ARG  55           HN       ARG  55  -6.032   2.957   8.807
  396    HA   ARG  55           HA       ARG  55  -6.830   5.456   9.901
  397    HB2  ARG  55           HB2      ARG  55  -4.671   5.151   8.747
  398    HB3  ARG  55           HB1      ARG  55  -5.521   4.894   7.235
  399    HG2  ARG  55           HG2      ARG  55  -6.332   7.142   7.230
  400    HG3  ARG  55           HG1      ARG  55  -5.687   7.427   8.849
  401    HD2  ARG  55           HD2      ARG  55  -3.437   7.237   8.053
  402    HD3  ARG  55           HD1      ARG  55  -3.991   6.707   6.466
  403    HE   ARG  55           HE       ARG  55  -4.921   9.325   7.282
  404   HH11  ARG  55          HH11      ARG  55  -2.314   7.572   5.731
  405   HH12  ARG  55          HH12      ARG  55  -1.946   8.861   4.625
  406   HH21  ARG  55          HH21      ARG  55  -4.387  11.042   5.845
  407   HH22  ARG  55          HH22      ARG  55  -3.128  10.807   4.665
  408    H    TYR  56           HN       TYR  56  -7.839   3.673   6.986
  409    HA   TYR  56           HA       TYR  56  -9.828   5.783   6.513
  410    HB2  TYR  56           HB2      TYR  56  -8.496   3.835   4.640
  411    HB3  TYR  56           HB1      TYR  56  -9.926   4.756   4.175
  412    HD1  TYR  56           HD2      TYR  56  -9.802   7.309   4.548
  413    HD2  TYR  56           HD1      TYR  56  -6.377   4.800   4.323
  414    HE1  TYR  56           HE2      TYR  56  -8.416   9.273   4.049
  415    HE2  TYR  56           HE1      TYR  56  -4.964   6.757   3.837
  416    HH   TYR  56           HH       TYR  56  -5.344   9.151   2.834
  417    H    GLY  57           HN       GLY  57  -9.816   3.155   8.198
  418    HA2  GLY  57           HA2      GLY  57 -11.510   1.830   9.006
  419    HA3  GLY  57           HA1      GLY  57 -12.620   2.865   8.124
  420    H    VAL  58           HN       VAL  58 -10.028   0.866   6.844
  421    HA   VAL  58           HA       VAL  58 -12.063  -0.692   5.392
  422    HB   VAL  58           HB       VAL  58 -10.466  -1.018   3.585
  423   HG11  VAL  58          HG11      VAL  58 -10.757   1.898   4.286
  424   HG12  VAL  58          HG12      VAL  58 -11.950   0.906   3.444
  425   HG13  VAL  58          HG13      VAL  58 -10.393   1.249   2.688
  426   HG21  VAL  58          HG21      VAL  58  -8.619   0.794   5.134
  427   HG22  VAL  58          HG22      VAL  58  -8.337   0.176   3.509
  428   HG23  VAL  58          HG23      VAL  58  -8.397  -0.937   4.876
  429    H    SER  59           HN       SER  59 -10.748  -2.772   4.481
  430    HA   SER  59           HA       SER  59  -8.801  -3.774   6.347
  431    HB2  SER  59           HB2      SER  59 -11.122  -4.329   7.307
  432    HB3  SER  59           HB1      SER  59 -11.297  -5.424   5.936
  433    HG   SER  59           HG       SER  59  -8.902  -5.782   7.137
  434    H    ILE  60           HN       ILE  60  -7.389  -5.072   5.303
  435    HA   ILE  60           HA       ILE  60  -7.933  -5.497   2.453
  436    HB   ILE  60           HB       ILE  60  -5.332  -5.746   3.981
  437   HG12  ILE  60          HG12      ILE  60  -6.374  -3.572   2.140
  438   HG13  ILE  60          HG11      ILE  60  -6.164  -3.439   3.881
  439   HG21  ILE  60          HG21      ILE  60  -5.873  -5.830   1.011
  440   HG22  ILE  60          HG22      ILE  60  -5.362  -7.185   2.017
  441   HG23  ILE  60          HG23      ILE  60  -4.277  -5.818   1.763
  442   HD11  ILE  60          HD11      ILE  60  -3.755  -3.707   3.605
  443   HD12  ILE  60          HD12      ILE  60  -4.375  -2.324   2.704
  444   HD13  ILE  60          HD13      ILE  60  -3.975  -3.819   1.861
  445    HA   PRO  61           HA       PRO  61  -9.008  -9.693   3.520
  446    HB2  PRO  61           HB2      PRO  61  -9.017 -10.008   0.581
  447    HB3  PRO  61           HB1      PRO  61 -10.304 -10.314   1.751
  448    HG2  PRO  61           HG2      PRO  61 -10.396  -8.196   0.119
  449    HG3  PRO  61           HG1      PRO  61 -10.974  -8.093   1.792
  450    HD2  PRO  61           HD2      PRO  61  -8.396  -7.140   0.610
  451    HD3  PRO  61           HD1      PRO  61  -9.451  -6.352   1.805
  452    H    ASP  62           HN       ASP  62  -7.744 -11.325   3.958
  453    HA   ASP  62           HA       ASP  62  -5.049 -11.555   3.339
  454    HB2  ASP  62           HB2      ASP  62  -6.087 -12.667   5.232
  455    HB3  ASP  62           HB1      ASP  62  -7.068 -13.654   4.157
  456    H    ASP  63           HN       ASP  63  -7.844 -12.685   1.589
  457    HA   ASP  63           HA       ASP  63  -6.471 -14.596  -0.029
  458    HB2  ASP  63           HB2      ASP  63  -9.183 -13.289  -0.311
  459    HB3  ASP  63           HB1      ASP  63  -8.593 -14.545  -1.391
  460    H    VAL  64           HN       VAL  64  -7.718 -11.321  -0.619
  461    HA   VAL  64           HA       VAL  64  -6.910 -11.315  -3.363
  462    HB   VAL  64           HB       VAL  64  -7.732  -8.953  -1.666
  463   HG11  VAL  64          HG11      VAL  64  -6.659  -8.347  -3.784
  464   HG12  VAL  64          HG12      VAL  64  -8.376  -7.937  -3.793
  465   HG13  VAL  64          HG13      VAL  64  -7.806  -9.367  -4.654
  466   HG21  VAL  64          HG21      VAL  64  -9.435 -10.689  -1.571
  467   HG22  VAL  64          HG22      VAL  64  -9.433 -10.805  -3.330
  468   HG23  VAL  64          HG23      VAL  64  -9.994  -9.328  -2.546
  469    H    ALA  65           HN       ALA  65  -5.442 -10.427  -0.367
  470    HA   ALA  65           HA       ALA  65  -3.621  -8.492  -1.231
  471    HB1  ALA  65           HB1      ALA  65  -3.279 -10.491   0.990
  472    HB2  ALA  65           HB2      ALA  65  -4.123  -8.948   1.119
  473    HB3  ALA  65           HB3      ALA  65  -2.388  -8.981   0.799
  474    H    GLY  66           HN       GLY  66  -3.415 -11.990  -1.270
  475    HA2  GLY  66           HA2      GLY  66  -0.612 -12.007  -1.956
  476    HA3  GLY  66           HA1      GLY  66  -1.668 -13.404  -1.846
  477    H    ARG  67           HN       ARG  67  -2.190 -10.537  -3.847
  478    HA   ARG  67           HA       ARG  67  -1.521 -12.081  -6.247
  479    HB2  ARG  67           HB2      ARG  67  -4.159 -10.639  -5.899
  480    HB3  ARG  67           HB1      ARG  67  -3.611 -11.458  -7.355
  481    HG2  ARG  67           HG2      ARG  67  -3.627 -13.592  -6.139
  482    HG3  ARG  67           HG1      ARG  67  -4.238 -12.752  -4.712
  483    HD2  ARG  67           HD2      ARG  67  -6.072 -13.799  -5.900
  484    HD3  ARG  67           HD1      ARG  67  -6.216 -12.043  -5.996
  485    HE   ARG  67           HE       ARG  67  -5.069 -13.626  -8.205
  486   HH11  ARG  67          HH11      ARG  67  -7.345 -11.240  -7.024
  487   HH12  ARG  67          HH12      ARG  67  -7.932 -10.824  -8.609
  488   HH21  ARG  67          HH21      ARG  67  -5.837 -13.084 -10.284
  489   HH22  ARG  67          HH22      ARG  67  -7.065 -11.867 -10.455
  490    H    VAL  68           HN       VAL  68  -1.214  -9.282  -4.519
  491    HA   VAL  68           HA       VAL  68  -1.197  -7.532  -6.872
  492    HB   VAL  68           HB       VAL  68  -2.619  -6.748  -5.068
  493   HG11  VAL  68          HG11      VAL  68  -1.710  -6.070  -2.905
  494   HG12  VAL  68          HG12      VAL  68  -0.135  -6.716  -3.365
  495   HG13  VAL  68          HG13      VAL  68  -1.513  -7.801  -3.175
  496   HG21  VAL  68          HG21      VAL  68  -1.675  -4.506  -4.771
  497   HG22  VAL  68          HG22      VAL  68  -1.534  -5.075  -6.434
  498   HG23  VAL  68          HG23      VAL  68  -0.124  -5.089  -5.373
  499    H    ASP  69           HN       ASP  69   0.678  -7.268  -7.821
  500    HA   ASP  69           HA       ASP  69   3.161  -7.365  -6.277
  501    HB2  ASP  69           HB2      ASP  69   2.582  -7.263  -9.235
  502    HB3  ASP  69           HB1      ASP  69   4.200  -7.017  -8.601
  503    H    THR  70           HN       THR  70   1.163  -5.134  -8.058
  504    HA   THR  70           HA       THR  70   3.167  -3.020  -7.717
  505    HB   THR  70           HB       THR  70   1.808  -1.861  -9.535
  506    HG1  THR  70           HG1      THR  70   0.925  -4.283 -10.500
  507   HG21  THR  70          HG21      THR  70   3.196  -4.457 -10.205
  508   HG22  THR  70          HG22      THR  70   3.979  -2.894  -9.963
  509   HG23  THR  70          HG23      THR  70   2.888  -3.136 -11.329
  510    HA   PRO  71           HA       PRO  71   0.636  -0.881  -4.740
  511    HB2  PRO  71           HB2      PRO  71   1.890   1.477  -6.072
  512    HB3  PRO  71           HB1      PRO  71   1.786   1.073  -4.353
  513    HG2  PRO  71           HG2      PRO  71   4.061   0.746  -5.683
  514    HG3  PRO  71           HG1      PRO  71   3.541  -0.434  -4.467
  515    HD2  PRO  71           HD2      PRO  71   3.470  -0.623  -7.443
  516    HD3  PRO  71           HD1      PRO  71   3.790  -1.887  -6.239
  517    H    ARG  72           HN       ARG  72   0.700  -0.067  -8.165
  518    HA   ARG  72           HA       ARG  72  -1.439   1.698  -8.327
  519    HB2  ARG  72           HB2      ARG  72   0.003   1.087 -10.237
  520    HB3  ARG  72           HB1      ARG  72  -0.732  -0.507 -10.277
  521    HG2  ARG  72           HG2      ARG  72  -1.723   0.823 -11.991
  522    HG3  ARG  72           HG1      ARG  72  -2.921   0.569 -10.720
  523    HD2  ARG  72           HD2      ARG  72  -1.566   2.915 -10.019
  524    HD3  ARG  72           HD1      ARG  72  -1.844   3.027 -11.755
  525    HE   ARG  72           HE       ARG  72  -4.074   2.344  -9.955
  526   HH11  ARG  72          HH11      ARG  72  -2.620   4.630 -12.210
  527   HH12  ARG  72          HH12      ARG  72  -4.082   5.538 -12.410
  528   HH21  ARG  72          HH21      ARG  72  -5.964   3.529 -10.217
  529   HH22  ARG  72          HH22      ARG  72  -5.993   4.927 -11.264
  530    H    GLU  73           HN       GLU  73  -1.543  -1.839  -8.680
  531    HA   GLU  73           HA       GLU  73  -4.340  -2.042  -8.837
  532    HB2  GLU  73           HB2      GLU  73  -2.258  -4.053  -7.953
  533    HB3  GLU  73           HB1      GLU  73  -3.951  -4.449  -8.216
  534    HG2  GLU  73           HG2      GLU  73  -2.125  -3.310 -10.321
  535    HG3  GLU  73           HG1      GLU  73  -2.474  -5.028 -10.120
  536    H    LEU  74           HN       LEU  74  -2.131  -2.209  -6.099
  537    HA   LEU  74           HA       LEU  74  -3.921  -3.011  -4.113
  538    HB2  LEU  74           HB2      LEU  74  -1.341  -2.704  -4.094
  539    HB3  LEU  74           HB1      LEU  74  -1.689  -1.052  -3.635
  540    HG   LEU  74           HG       LEU  74  -1.117  -2.561  -1.730
  541   HD11  LEU  74          HD11      LEU  74  -2.922  -1.808  -0.255
  542   HD12  LEU  74          HD12      LEU  74  -3.878  -1.351  -1.667
  543   HD13  LEU  74          HD13      LEU  74  -2.358  -0.522  -1.323
  544   HD21  LEU  74          HD21      LEU  74  -2.165  -4.592  -2.522
  545   HD22  LEU  74          HD22      LEU  74  -3.758  -3.841  -2.414
  546   HD23  LEU  74          HD23      LEU  74  -2.822  -4.142  -0.949
  547    H    LEU  75           HN       LEU  75  -2.948   0.263  -5.097
  548    HA   LEU  75           HA       LEU  75  -4.588   1.697  -3.347
  549    HB2  LEU  75           HB2      LEU  75  -2.709   2.622  -4.669
  550    HB3  LEU  75           HB1      LEU  75  -3.675   2.480  -6.122
  551    HG   LEU  75           HG       LEU  75  -4.723   4.136  -3.862
  552   HD11  LEU  75          HD11      LEU  75  -2.384   4.829  -4.117
  553   HD12  LEU  75          HD12      LEU  75  -3.498   6.072  -4.689
  554   HD13  LEU  75          HD13      LEU  75  -2.644   5.053  -5.849
  555   HD21  LEU  75          HD21      LEU  75  -5.643   5.442  -5.721
  556   HD22  LEU  75          HD22      LEU  75  -6.123   3.747  -5.826
  557   HD23  LEU  75          HD23      LEU  75  -4.845   4.370  -6.872
  558    H    ASP  76           HN       ASP  76  -5.213   0.521  -6.628
  559    HA   ASP  76           HA       ASP  76  -7.743   1.746  -6.921
  560    HB2  ASP  76           HB2      ASP  76  -6.295  -0.442  -8.358
  561    HB3  ASP  76           HB1      ASP  76  -7.983  -0.123  -8.724
  562    H    LEU  77           HN       LEU  77  -6.780  -1.418  -5.691
  563    HA   LEU  77           HA       LEU  77  -9.340  -2.588  -5.682
  564    HB2  LEU  77           HB2      LEU  77  -6.945  -3.092  -3.914
  565    HB3  LEU  77           HB1      LEU  77  -8.388  -4.088  -3.905
  566    HG   LEU  77           HG       LEU  77  -6.568  -3.692  -6.283
  567   HD11  LEU  77          HD11      LEU  77  -5.911  -6.028  -5.879
  568   HD12  LEU  77          HD12      LEU  77  -6.864  -6.026  -4.394
  569   HD13  LEU  77          HD13      LEU  77  -5.460  -4.970  -4.542
  570   HD21  LEU  77          HD21      LEU  77  -7.857  -5.509  -7.285
  571   HD22  LEU  77          HD22      LEU  77  -8.886  -4.126  -6.921
  572   HD23  LEU  77          HD23      LEU  77  -8.918  -5.544  -5.877
  573    H    ILE  78           HN       ILE  78  -7.590  -0.780  -3.178
  574    HA   ILE  78           HA       ILE  78  -9.682  -0.980  -1.258
  575    HB   ILE  78           HB       ILE  78  -7.420   1.023  -1.385
  576   HG12  ILE  78          HG12      ILE  78  -7.621  -1.624   0.063
  577   HG13  ILE  78          HG11      ILE  78  -6.672  -1.331  -1.390
  578   HG21  ILE  78          HG21      ILE  78  -9.230   1.720   0.114
  579   HG22  ILE  78          HG22      ILE  78  -7.772   1.290   1.011
  580   HG23  ILE  78          HG23      ILE  78  -9.130   0.169   0.951
  581   HD11  ILE  78          HD11      ILE  78  -6.237  -0.028   1.289
  582   HD12  ILE  78          HD12      ILE  78  -5.268   0.229  -0.164
  583   HD13  ILE  78          HD13      ILE  78  -5.293  -1.355   0.610
  584    H    ASN  79           HN       ASN  79  -8.782   1.452  -3.665
  585    HA   ASN  79           HA       ASN  79 -10.680   3.391  -2.835
  586    HB2  ASN  79           HB2      ASN  79  -8.910   3.027  -5.180
  587    HB3  ASN  79           HB1      ASN  79 -10.341   4.021  -5.434
  588   HD21  ASN  79          HD21      ASN  79  -7.349   3.703  -3.690
  589   HD22  ASN  79          HD22      ASN  79  -7.263   5.352  -3.174
  590    H    GLY  80           HN       GLY  80 -10.878   0.593  -4.910
  591    HA2  GLY  80           HA2      GLY  80 -13.297   1.214  -6.233
  592    HA3  GLY  80           HA1      GLY  80 -12.656  -0.401  -5.970
  593    H    ALA  81           HN       ALA  81 -12.628  -0.366  -3.154
  594    HA   ALA  81           HA       ALA  81 -15.357  -1.008  -2.610
  595    HB1  ALA  81           HB1      ALA  81 -13.013  -0.791  -0.719
  596    HB2  ALA  81           HB2      ALA  81 -13.511  -2.244  -1.586
  597    HB3  ALA  81           HB3      ALA  81 -14.568  -1.544  -0.360
  598    H    LEU  82           HN       LEU  82 -13.260   1.716  -1.946
  599    HA   LEU  82           HA       LEU  82 -15.139   2.986  -0.161
  600    HB2  LEU  82           HB2      LEU  82 -12.575   3.978  -1.404
  601    HB3  LEU  82           HB1      LEU  82 -13.527   4.884  -0.243
  602    HG   LEU  82           HG       LEU  82 -12.198   2.226   0.292
  603   HD11  LEU  82          HD11      LEU  82 -11.476   4.991   1.254
  604   HD12  LEU  82          HD12      LEU  82 -10.596   4.065   0.035
  605   HD13  LEU  82          HD13      LEU  82 -10.675   3.484   1.698
  606   HD21  LEU  82          HD21      LEU  82 -13.674   4.106   2.129
  607   HD22  LEU  82          HD22      LEU  82 -12.814   2.644   2.618
  608   HD23  LEU  82          HD23      LEU  82 -14.239   2.526   1.585
  609    H    ALA  83           HN       ALA  83 -14.927   2.697  -3.481
  610    HA   ALA  83           HA       ALA  83 -15.650   5.301  -4.335
  611    HB1  ALA  83           HB1      ALA  83 -16.253   4.255  -6.442
  612    HB2  ALA  83           HB2      ALA  83 -16.213   2.665  -5.681
  613    HB3  ALA  83           HB3      ALA  83 -14.727   3.600  -5.846
  614    H    GLU  84           HN       GLU  84 -17.471   2.578  -3.141
  615    HA   GLU  84           HA       GLU  84 -19.974   4.034  -3.657
  616    HB2  GLU  84           HB2      GLU  84 -19.552   1.095  -3.085
  617    HB3  GLU  84           HB1      GLU  84 -21.100   1.867  -3.405
  618    HG2  GLU  84           HG2      GLU  84 -20.258   2.528  -5.638
  619    HG3  GLU  84           HG1      GLU  84 -18.785   1.617  -5.310
  620    H    ALA  85           HN       ALA  85 -17.983   4.321  -1.399
  621    HA   ALA  85           HA       ALA  85 -19.625   3.528   0.889
  622    HB1  ALA  85           HB1      ALA  85 -16.856   4.729   0.783
  623    HB2  ALA  85           HB2      ALA  85 -17.253   3.029   1.046
  624    HB3  ALA  85           HB3      ALA  85 -17.703   4.238   2.249
  625    H    ALA  86           HN       ALA  86 -20.743   4.937   2.095
  626    HA   ALA  86           HA       ALA  86 -20.213   7.774   2.030
  627    HB1  ALA  86           HB1      ALA  86 -22.823   6.699   0.961
  628    HB2  ALA  86           HB2      ALA  86 -21.585   7.545   0.032
  629    HB3  ALA  86           HB3      ALA  86 -22.478   8.393   1.297
  630    H28  SXO  87          H28B      SXO  87   5.070 -11.914   5.420
  631   H28A  SXO  87          H28A      SXO  87   5.432 -13.309   6.440
  632    H30  SXO  87          H30A      SXO  87   1.740 -13.043   6.243
  633   H30A  SXO  87          H30C      SXO  87   3.127 -12.971   7.329
  634   H30B  SXO  87          H30B      SXO  87   2.859 -11.679   6.158
  635    H31  SXO  87          H31A      SXO  87   3.153 -12.106   3.740
  636   H31A  SXO  87          H31B      SXO  87   2.090 -13.511   3.804
  637   H31B  SXO  87          H31C      SXO  87   3.733 -13.677   3.183
  638    H32  SXO  87          H32A      SXO  87   3.680 -15.211   6.619
  639   HO33  SXO  87          H33A      SXO  87   5.131 -15.024   4.397
  640   HN36  SXO  87          H36A      SXO  87   1.250 -14.602   6.598
  641    H37  SXO  87          H37A      SXO  87  -0.219 -16.620   5.087
  642   H37A  SXO  87          H37B      SXO  87  -0.791 -15.730   6.495
  643    H38  SXO  87          H38B      SXO  87  -1.990 -15.031   4.505
  644   H38A  SXO  87          H38A      SXO  87  -0.468 -14.653   3.702
  645   HN41  SXO  87          H41A      SXO  87  -1.803 -12.675   3.464
  646    H42  SXO  87          H42A      SXO  87  -2.702 -10.731   4.831
  647   H42A  SXO  87          H42B      SXO  87  -1.083 -10.715   5.533
  648    H43  SXO  87          H43B      SXO  87  -0.106 -10.211   3.385
  649   H43A  SXO  87          H43A      SXO  87  -1.688 -10.365   2.598
  650    H2   SXO  87           H2A      SXO  87  -2.105  -6.113   2.708
  651    H2A  SXO  87           H2B      SXO  87  -1.831  -6.477   1.004
  652    H3   SXO  87           H3B      SXO  87   0.205  -5.287   2.882
  653    H3A  SXO  87           H3A      SXO  87   0.423  -5.597   1.157
  654    H4   SXO  87           H4A      SXO  87  -1.659  -3.757   2.331
  655    H4A  SXO  87           H4B      SXO  87  -1.324  -4.014   0.618
  656    H5   SXO  87           H5B      SXO  87   0.631  -2.886   2.618
  657    H5A  SXO  87           H5A      SXO  87   0.897  -3.079   0.884
  658    H6   SXO  87           H6A      SXO  87  -1.194  -1.326   2.166
  659    H6A  SXO  87           H6B      SXO  87  -0.947  -1.531   0.433
  660    H7   SXO  87           H7A      SXO  87   1.106  -0.431   2.357
  661    H7A  SXO  87           H7B      SXO  87   0.095   0.538   1.275
  662    H8   SXO  87           H8C      SXO  87   2.073  -1.574   0.433
  663    H8A  SXO  87           H8A      SXO  87   2.320   0.167   0.336
  664    H8B  SXO  87           H8B      SXO  87   1.074  -0.601  -0.647
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -19.648  12.568   2.178
    2    H2   MET   1           HT2      MET   1 -18.582  11.887   3.304
    3    H3   MET   1           HT3      MET   1 -19.113  10.972   1.980
    4    HA   MET   1           HA       MET   1 -17.958  12.344   0.453
    5    HB2  MET   1           HB2      MET   1 -18.270  14.449   1.757
    6    HB3  MET   1           HB1      MET   1 -17.019  13.911   2.866
    7    HG2  MET   1           HG2      MET   1 -16.074  15.472   1.321
    8    HG3  MET   1           HG1      MET   1 -15.421  13.868   0.987
    9    HE1  MET   1           HE1      MET   1 -15.262  16.382  -1.041
   10    HE2  MET   1           HE2      MET   1 -15.596  15.558  -2.564
   11    HE3  MET   1           HE3      MET   1 -14.547  14.802  -1.365
   12    H    ALA   2           HN       ALA   2 -16.355  12.177   3.635
   13    HA   ALA   2           HA       ALA   2 -14.692  10.881   4.462
   14    HB1  ALA   2           HB1      ALA   2 -15.295   9.072   2.123
   15    HB2  ALA   2           HB2      ALA   2 -15.994   8.961   3.739
   16    HB3  ALA   2           HB3      ALA   2 -14.272   8.665   3.501
   17    H    THR   3           HN       THR   3 -12.625   9.482   3.280
   18    HA   THR   3           HA       THR   3 -11.428  11.232   1.288
   19    HB   THR   3           HB       THR   3 -10.680  12.280   3.320
   20    HG1  THR   3           HG1      THR   3  -9.105  11.610   1.534
   21   HG21  THR   3          HG21      THR   3  -9.739   9.554   4.224
   22   HG22  THR   3          HG22      THR   3 -11.058  10.496   4.923
   23   HG23  THR   3          HG23      THR   3  -9.398  11.078   5.047
   24    H    LEU   4           HN       LEU   4 -10.592  10.004  -0.228
   25    HA   LEU   4           HA       LEU   4 -10.297   7.156   0.167
   26    HB2  LEU   4           HB2      LEU   4  -9.722   8.819  -2.288
   27    HB3  LEU   4           HB1      LEU   4  -9.848   7.071  -2.225
   28    HG   LEU   4           HG       LEU   4 -12.074   9.065  -1.829
   29   HD11  LEU   4          HD11      LEU   4 -11.484   8.718  -4.143
   30   HD12  LEU   4          HD12      LEU   4 -13.025   7.927  -3.800
   31   HD13  LEU   4          HD13      LEU   4 -11.549   6.968  -3.926
   32   HD21  LEU   4          HD21      LEU   4 -13.562   7.178  -1.517
   33   HD22  LEU   4          HD22      LEU   4 -12.313   7.178  -0.272
   34   HD23  LEU   4          HD23      LEU   4 -12.203   6.060  -1.631
   35    H    LEU   5           HN       LEU   5  -8.329   6.029  -0.615
   36    HA   LEU   5           HA       LEU   5  -5.988   7.143   0.662
   37    HB2  LEU   5           HB2      LEU   5  -6.873   4.656   0.533
   38    HB3  LEU   5           HB1      LEU   5  -5.990   4.628  -0.978
   39    HG   LEU   5           HG       LEU   5  -4.768   5.243   1.715
   40   HD11  LEU   5          HD11      LEU   5  -4.734   2.713   0.086
   41   HD12  LEU   5          HD12      LEU   5  -5.547   2.959   1.630
   42   HD13  LEU   5          HD13      LEU   5  -3.787   3.008   1.547
   43   HD21  LEU   5          HD21      LEU   5  -3.526   6.267  -0.096
   44   HD22  LEU   5          HD22      LEU   5  -3.502   4.739  -0.977
   45   HD23  LEU   5          HD23      LEU   5  -2.633   4.892   0.550
   46    H    THR   6           HN       THR   6  -4.483   8.354  -0.414
   47    HA   THR   6           HA       THR   6  -4.596   8.326  -3.353
   48    HB   THR   6           HB       THR   6  -3.742  10.571  -3.358
   49    HG1  THR   6           HG1      THR   6  -3.812  10.850  -0.564
   50   HG21  THR   6          HG21      THR   6  -5.532  11.757  -2.162
   51   HG22  THR   6          HG22      THR   6  -5.915  10.277  -1.284
   52   HG23  THR   6          HG23      THR   6  -6.147  10.348  -3.029
   53    H    THR   7           HN       THR   7  -2.407   9.175  -4.306
   54    HA   THR   7           HA       THR   7  -0.430   7.242  -3.837
   55    HB   THR   7           HB       THR   7   1.019   8.918  -5.189
   56    HG1  THR   7           HG1      THR   7  -0.712  10.259  -6.419
   57   HG21  THR   7          HG21      THR   7  -0.011   6.909  -6.123
   58   HG22  THR   7          HG22      THR   7  -0.108   8.254  -7.260
   59   HG23  THR   7          HG23      THR   7  -1.530   7.779  -6.333
   60    H    ASP   8           HN       ASP   8  -0.436  10.722  -3.012
   61    HA   ASP   8           HA       ASP   8   2.040  10.585  -1.636
   62    HB2  ASP   8           HB2      ASP   8   1.438  12.843  -0.758
   63    HB3  ASP   8           HB1      ASP   8   1.345  12.711  -2.510
   64    H    ASP   9           HN       ASP   9  -1.286  10.127  -0.637
   65    HA   ASP   9           HA       ASP   9  -0.873   9.990   2.144
   66    HB2  ASP   9           HB2      ASP   9  -2.872   8.917   0.227
   67    HB3  ASP   9           HB1      ASP   9  -2.752   8.073   1.766
   68    H    LEU  10           HN       LEU  10  -0.787   7.464  -0.327
   69    HA   LEU  10           HA       LEU  10  -0.015   5.324   1.315
   70    HB2  LEU  10           HB2      LEU  10  -0.907   5.263  -1.059
   71    HB3  LEU  10           HB1      LEU  10   0.709   5.684  -1.591
   72    HG   LEU  10           HG       LEU  10   1.552   3.599  -0.510
   73   HD11  LEU  10          HD11      LEU  10  -0.230   3.304   1.124
   74   HD12  LEU  10          HD12      LEU  10  -0.060   1.875   0.108
   75   HD13  LEU  10          HD13      LEU  10  -1.387   3.002  -0.171
   76   HD21  LEU  10          HD21      LEU  10   1.093   3.670  -2.895
   77   HD22  LEU  10          HD22      LEU  10  -0.597   3.256  -2.604
   78   HD23  LEU  10          HD23      LEU  10   0.675   2.090  -2.237
   79    H    ARG  11           HN       ARG  11   1.881   7.669  -0.518
   80    HA   ARG  11           HA       ARG  11   4.439   6.674  -0.218
   81    HB2  ARG  11           HB2      ARG  11   4.018   8.616  -1.580
   82    HB3  ARG  11           HB1      ARG  11   3.464   9.535  -0.189
   83    HG2  ARG  11           HG2      ARG  11   5.694   9.572   0.732
   84    HG3  ARG  11           HG1      ARG  11   6.280   8.538  -0.572
   85    HD2  ARG  11           HD2      ARG  11   6.836  10.916  -0.921
   86    HD3  ARG  11           HD1      ARG  11   5.821  10.260  -2.205
   87    HE   ARG  11           HE       ARG  11   3.932  11.355  -0.847
   88   HH11  ARG  11          HH11      ARG  11   7.184  12.624  -1.093
   89   HH12  ARG  11          HH12      ARG  11   6.693  14.282  -0.899
   90   HH21  ARG  11          HH21      ARG  11   3.278  13.546  -0.618
   91   HH22  ARG  11          HH22      ARG  11   4.474  14.799  -0.641
   92    H    ARG  12           HN       ARG  12   2.526   8.505   2.122
   93    HA   ARG  12           HA       ARG  12   4.690   8.667   4.012
   94    HB2  ARG  12           HB2      ARG  12   1.752   9.313   4.184
   95    HB3  ARG  12           HB1      ARG  12   2.841   9.473   5.556
   96    HG2  ARG  12           HG2      ARG  12   3.462  10.821   2.961
   97    HG3  ARG  12           HG1      ARG  12   2.319  11.536   4.099
   98    HD2  ARG  12           HD2      ARG  12   4.626  12.394   4.353
   99    HD3  ARG  12           HD1      ARG  12   3.997  11.637   5.810
  100    HE   ARG  12           HE       ARG  12   5.376   9.645   4.560
  101   HH11  ARG  12          HH11      ARG  12   6.178  12.890   5.567
  102   HH12  ARG  12          HH12      ARG  12   7.832  12.502   5.962
  103   HH21  ARG  12          HH21      ARG  12   7.536   9.113   5.110
  104   HH22  ARG  12          HH22      ARG  12   8.591  10.337   5.743
  105    H    ALA  13           HN       ALA  13   1.838   6.652   3.567
  106    HA   ALA  13           HA       ALA  13   1.829   5.421   6.089
  107    HB1  ALA  13           HB1      ALA  13   0.838   4.325   3.462
  108    HB2  ALA  13           HB2      ALA  13  -0.073   5.356   4.566
  109    HB3  ALA  13           HB3      ALA  13   0.399   3.731   5.064
  110    H    LEU  14           HN       LEU  14   3.350   4.403   3.035
  111    HA   LEU  14           HA       LEU  14   4.402   1.971   3.942
  112    HB2  LEU  14           HB2      LEU  14   5.099   3.853   1.743
  113    HB3  LEU  14           HB1      LEU  14   6.279   2.630   2.167
  114    HG   LEU  14           HG       LEU  14   4.906   1.904   0.293
  115   HD11  LEU  14          HD11      LEU  14   5.741   0.208   1.795
  116   HD12  LEU  14          HD12      LEU  14   4.149  -0.244   1.186
  117   HD13  LEU  14          HD13      LEU  14   4.320   0.385   2.826
  118   HD21  LEU  14          HD21      LEU  14   2.892   3.169   0.774
  119   HD22  LEU  14          HD22      LEU  14   2.579   2.163   2.188
  120   HD23  LEU  14          HD23      LEU  14   2.524   1.457   0.571
  121    H    VAL  15           HN       VAL  15   5.747   5.233   4.070
  122    HA   VAL  15           HA       VAL  15   8.286   4.446   5.045
  123    HB   VAL  15           HB       VAL  15   6.912   7.129   5.268
  124   HG11  VAL  15          HG11      VAL  15   8.714   6.877   6.903
  125   HG12  VAL  15          HG12      VAL  15   9.148   8.030   5.640
  126   HG13  VAL  15          HG13      VAL  15   9.818   6.398   5.612
  127   HG21  VAL  15          HG21      VAL  15   8.343   7.729   3.349
  128   HG22  VAL  15          HG22      VAL  15   7.202   6.442   2.958
  129   HG23  VAL  15          HG23      VAL  15   8.896   6.057   3.263
  130    H    GLU  16           HN       GLU  16   5.283   5.429   6.645
  131    HA   GLU  16           HA       GLU  16   6.305   5.713   9.233
  132    HB2  GLU  16           HB2      GLU  16   3.565   4.814   8.340
  133    HB3  GLU  16           HB1      GLU  16   3.974   5.255   9.991
  134    HG2  GLU  16           HG2      GLU  16   4.538   7.515   9.237
  135    HG3  GLU  16           HG1      GLU  16   4.100   7.066   7.591
  136    H    SER  17           HN       SER  17   5.290   2.858   7.455
  137    HA   SER  17           HA       SER  17   5.518   1.159   9.783
  138    HB2  SER  17           HB2      SER  17   3.768   0.831   8.019
  139    HB3  SER  17           HB1      SER  17   5.049   0.350   6.907
  140    HG   SER  17           HG       SER  17   5.580  -1.300   8.482
  141    H    ALA  18           HN       ALA  18   7.751   2.511   7.791
  142    HA   ALA  18           HA       ALA  18   9.562   0.193   8.013
  143    HB1  ALA  18           HB1      ALA  18  10.611   0.831   5.939
  144    HB2  ALA  18           HB2      ALA  18   9.555   2.238   5.804
  145    HB3  ALA  18           HB3      ALA  18   8.880   0.613   5.687
  146    H    GLY  19           HN       GLY  19   9.825   3.668   7.265
  147    HA2  GLY  19           HA2      GLY  19  10.879   5.154   8.911
  148    HA3  GLY  19           HA1      GLY  19  11.988   3.835   9.268
  149    H    GLU  20           HN       GLU  20  13.117   2.997   7.206
  150    HA   GLU  20           HA       GLU  20  13.599   4.772   5.050
  151    HB2  GLU  20           HB2      GLU  20  14.820   5.957   6.899
  152    HB3  GLU  20           HB1      GLU  20  15.838   4.535   7.068
  153    HG2  GLU  20           HG2      GLU  20  16.769   4.840   4.902
  154    HG3  GLU  20           HG1      GLU  20  15.597   6.097   4.510
  155    H    THR  21           HN       THR  21  13.663   3.199   3.558
  156    HA   THR  21           HA       THR  21  15.225   0.783   4.189
  157    HB   THR  21           HB       THR  21  12.759   0.724   2.501
  158    HG1  THR  21           HG1      THR  21  11.519   0.445   4.292
  159   HG21  THR  21          HG21      THR  21  14.205  -1.225   2.403
  160   HG22  THR  21          HG22      THR  21  12.709  -1.630   3.243
  161   HG23  THR  21          HG23      THR  21  14.187  -1.351   4.163
  162    H    ASP  22           HN       ASP  22  16.676   2.429   2.945
  163    HA   ASP  22           HA       ASP  22  18.134   2.577   1.212
  164    HB2  ASP  22           HB2      ASP  22  18.021   0.124   1.172
  165    HB3  ASP  22           HB1      ASP  22  16.622   0.199   0.107
  166    H    GLY  23           HN       GLY  23  15.441   1.386  -0.752
  167    HA2  GLY  23           HA2      GLY  23  15.746   3.795  -2.398
  168    HA3  GLY  23           HA1      GLY  23  15.026   2.281  -2.921
  169    H    THR  24           HN       THR  24  14.517   4.828  -0.502
  170    HA   THR  24           HA       THR  24  11.645   4.360  -0.631
  171    HB   THR  24           HB       THR  24  13.042   6.413   1.083
  172    HG1  THR  24           HG1      THR  24  13.224   3.685   1.159
  173   HG21  THR  24          HG21      THR  24  10.501   4.816   1.489
  174   HG22  THR  24          HG22      THR  24  10.567   6.490   0.942
  175   HG23  THR  24          HG23      THR  24  11.129   6.070   2.561
  176    H    ASP  25           HN       ASP  25  12.689   5.253  -2.982
  177    HA   ASP  25           HA       ASP  25  12.306   8.121  -3.224
  178    HB2  ASP  25           HB2      ASP  25  12.888   6.013  -5.330
  179    HB3  ASP  25           HB1      ASP  25  12.865   7.749  -5.611
  180    H    LEU  26           HN       LEU  26  10.009   7.334  -2.300
  181    HA   LEU  26           HA       LEU  26   8.203   6.343  -4.331
  182    HB2  LEU  26           HB2      LEU  26   7.960   7.034  -1.431
  183    HB3  LEU  26           HB1      LEU  26   6.515   6.855  -2.405
  184    HG   LEU  26           HG       LEU  26   7.288   4.543  -2.994
  185   HD11  LEU  26          HD11      LEU  26   9.300   5.023  -0.795
  186   HD12  LEU  26          HD12      LEU  26   9.673   4.812  -2.506
  187   HD13  LEU  26          HD13      LEU  26   8.973   3.482  -1.585
  188   HD21  LEU  26          HD21      LEU  26   5.586   4.950  -1.311
  189   HD22  LEU  26          HD22      LEU  26   6.832   5.152  -0.078
  190   HD23  LEU  26          HD23      LEU  26   6.602   3.584  -0.851
  191    H    SER  27           HN       SER  27   9.467   9.012  -4.697
  192    HA   SER  27           HA       SER  27   7.190  10.819  -4.383
  193    HB2  SER  27           HB2      SER  27  10.022  11.409  -5.274
  194    HB3  SER  27           HB1      SER  27   8.771  12.604  -4.933
  195    HG   SER  27           HG       SER  27  10.368  12.055  -3.203
  196    H    GLY  28           HN       GLY  28   9.388   9.631  -6.917
  197    HA2  GLY  28           HA2      GLY  28   7.965  11.095  -8.965
  198    HA3  GLY  28           HA1      GLY  28   9.353  10.046  -9.202
  199    H    ASP  29           HN       ASP  29   6.194   9.368  -7.761
  200    HA   ASP  29           HA       ASP  29   4.529   7.930  -8.242
  201    HB2  ASP  29           HB2      ASP  29   5.489   8.587 -11.002
  202    HB3  ASP  29           HB1      ASP  29   4.193   7.413 -10.757
  203    H    PHE  30           HN       PHE  30   4.763   6.051  -7.371
  204    HA   PHE  30           HA       PHE  30   6.792   4.198  -8.432
  205    HB2  PHE  30           HB2      PHE  30   6.815   3.244  -6.133
  206    HB3  PHE  30           HB1      PHE  30   7.261   4.947  -6.160
  207    HD1  PHE  30           HD2      PHE  30   5.504   6.659  -5.528
  208    HD2  PHE  30           HD1      PHE  30   5.024   2.494  -4.829
  209    HE1  PHE  30           HE2      PHE  30   3.756   7.147  -3.867
  210    HE2  PHE  30           HE1      PHE  30   3.271   2.971  -3.172
  211    HZ   PHE  30           HZ       PHE  30   2.639   5.305  -2.687
  212    H    LEU  31           HN       LEU  31   3.592   4.669  -8.658
  213    HA   LEU  31           HA       LEU  31   2.319   2.433  -7.651
  214    HB2  LEU  31           HB2      LEU  31   1.659   4.038 -10.107
  215    HB3  LEU  31           HB1      LEU  31   0.605   2.810  -9.433
  216    HG   LEU  31           HG       LEU  31   1.397   5.442  -8.202
  217   HD11  LEU  31          HD11      LEU  31  -1.023   5.781  -8.141
  218   HD12  LEU  31          HD12      LEU  31  -1.261   4.205  -8.898
  219   HD13  LEU  31          HD13      LEU  31  -0.449   5.495  -9.786
  220   HD21  LEU  31          HD21      LEU  31   1.528   3.757  -6.460
  221   HD22  LEU  31          HD22      LEU  31  -0.062   3.141  -6.909
  222   HD23  LEU  31          HD23      LEU  31   0.101   4.763  -6.233
  223    H    ASP  32           HN       ASP  32   4.104   2.698 -10.687
  224    HA   ASP  32           HA       ASP  32   3.174   0.053 -11.485
  225    HB2  ASP  32           HB2      ASP  32   4.675   2.236 -12.879
  226    HB3  ASP  32           HB1      ASP  32   4.729   0.596 -13.516
  227    H    LEU  33           HN       LEU  33   5.541   1.121  -9.507
  228    HA   LEU  33           HA       LEU  33   7.500  -0.885 -10.323
  229    HB2  LEU  33           HB2      LEU  33   7.521   1.073  -8.020
  230    HB3  LEU  33           HB1      LEU  33   8.828  -0.029  -8.418
  231    HG   LEU  33           HG       LEU  33   7.834   2.220 -10.174
  232   HD11  LEU  33          HD11      LEU  33   9.975   3.269  -9.664
  233   HD12  LEU  33          HD12      LEU  33  10.368   1.946  -8.566
  234   HD13  LEU  33          HD13      LEU  33   9.018   3.022  -8.203
  235   HD21  LEU  33          HD21      LEU  33  10.147   0.314 -10.526
  236   HD22  LEU  33          HD22      LEU  33   9.797   1.707 -11.549
  237   HD23  LEU  33          HD23      LEU  33   8.670   0.353 -11.488
  238    H    ARG  34           HN       ARG  34   7.690  -2.847  -9.327
  239    HA   ARG  34           HA       ARG  34   5.511  -3.690  -7.674
  240    HB2  ARG  34           HB2      ARG  34   8.074  -5.126  -8.400
  241    HB3  ARG  34           HB1      ARG  34   6.708  -5.861  -7.574
  242    HG2  ARG  34           HG2      ARG  34   5.312  -5.332  -9.563
  243    HG3  ARG  34           HG1      ARG  34   6.779  -4.783 -10.380
  244    HD2  ARG  34           HD2      ARG  34   7.773  -7.023  -9.975
  245    HD3  ARG  34           HD1      ARG  34   6.228  -7.551  -9.310
  246    HE   ARG  34           HE       ARG  34   6.466  -6.577 -12.087
  247   HH11  ARG  34          HH11      ARG  34   5.445  -9.016  -9.772
  248   HH12  ARG  34          HH12      ARG  34   4.702 -10.026 -10.972
  249   HH21  ARG  34          HH21      ARG  34   5.495  -7.910 -13.673
  250   HH22  ARG  34          HH22      ARG  34   4.711  -9.381 -13.198
  251    H    PHE  35           HN       PHE  35   5.839  -4.770  -5.558
  252    HA   PHE  35           HA       PHE  35   7.166  -3.166  -3.700
  253    HB2  PHE  35           HB2      PHE  35   6.344  -6.066  -3.438
  254    HB3  PHE  35           HB1      PHE  35   6.816  -5.024  -2.099
  255    HD1  PHE  35           HD2      PHE  35   5.514  -2.592  -2.366
  256    HD2  PHE  35           HD1      PHE  35   4.070  -6.426  -3.524
  257    HE1  PHE  35           HE2      PHE  35   3.200  -1.770  -2.190
  258    HE2  PHE  35           HE1      PHE  35   1.760  -5.609  -3.355
  259    HZ   PHE  35           HZ       PHE  35   1.318  -3.282  -2.693
  260    H    GLU  36           HN       GLU  36   8.238  -5.899  -5.560
  261    HA   GLU  36           HA       GLU  36  10.723  -6.419  -4.411
  262    HB2  GLU  36           HB2      GLU  36   9.975  -6.446  -7.342
  263    HB3  GLU  36           HB1      GLU  36  11.374  -7.241  -6.638
  264    HG2  GLU  36           HG2      GLU  36   8.510  -7.877  -5.990
  265    HG3  GLU  36           HG1      GLU  36   9.537  -8.791  -7.097
  266    H    ASP  37           HN       ASP  37   9.674  -3.772  -6.449
  267    HA   ASP  37           HA       ASP  37  12.346  -2.944  -7.156
  268    HB2  ASP  37           HB2      ASP  37   9.639  -1.669  -7.584
  269    HB3  ASP  37           HB1      ASP  37  11.143  -0.917  -8.094
  270    H    ILE  38           HN       ILE  38   9.812  -1.903  -4.932
  271    HA   ILE  38           HA       ILE  38  11.471   0.290  -3.995
  272    HB   ILE  38           HB       ILE  38   9.541   0.819  -2.495
  273   HG12  ILE  38          HG12      ILE  38   8.191  -1.402  -4.057
  274   HG13  ILE  38          HG11      ILE  38   8.600  -1.456  -2.342
  275   HG21  ILE  38          HG21      ILE  38   8.945   0.600  -5.446
  276   HG22  ILE  38          HG22      ILE  38   9.830   1.904  -4.657
  277   HG23  ILE  38          HG23      ILE  38   8.119   1.664  -4.305
  278   HD11  ILE  38          HD11      ILE  38   6.231  -0.980  -2.742
  279   HD12  ILE  38          HD12      ILE  38   6.682   0.489  -3.608
  280   HD13  ILE  38          HD13      ILE  38   7.043   0.330  -1.888
  281    H    GLY  39           HN       GLY  39  11.560  -2.860  -3.430
  282    HA2  GLY  39           HA2      GLY  39  12.681  -4.084  -1.853
  283    HA3  GLY  39           HA1      GLY  39  13.268  -2.560  -1.217
  284    H    TYR  40           HN       TYR  40   9.955  -3.865  -1.365
  285    HA   TYR  40           HA       TYR  40   9.905  -3.641   1.568
  286    HB2  TYR  40           HB2      TYR  40   7.826  -3.085  -0.491
  287    HB3  TYR  40           HB1      TYR  40   7.306  -3.675   1.086
  288    HD1  TYR  40           HD1      TYR  40   8.937  -0.907  -0.698
  289    HD2  TYR  40           HD2      TYR  40   7.520  -2.310   3.058
  290    HE1  TYR  40           HE1      TYR  40   9.158   1.361   0.227
  291    HE2  TYR  40           HE2      TYR  40   7.729  -0.048   3.989
  292    HH   TYR  40           HH       TYR  40   8.233   2.698   2.057
  293    H    ASP  41           HN       ASP  41  10.078  -5.444   2.565
  294    HA   ASP  41           HA       ASP  41   9.739  -7.993   1.374
  295    HB2  ASP  41           HB2      ASP  41  10.000  -7.249   4.296
  296    HB3  ASP  41           HB1      ASP  41  10.160  -8.875   3.642
  297    H    SER  42           HN       SER  42   8.401  -9.696   2.210
  298    HA   SER  42           HA       SER  42   5.680  -9.371   2.206
  299    HB2  SER  42           HB2      SER  42   5.716 -11.584   3.511
  300    HB3  SER  42           HB1      SER  42   6.610 -11.549   1.986
  301    H    LEU  43           HN       LEU  43   7.730  -9.721   5.079
  302    HA   LEU  43           HA       LEU  43   5.766  -9.354   7.025
  303    HB2  LEU  43           HB2      LEU  43   8.033 -10.210   7.461
  304    HB3  LEU  43           HB1      LEU  43   8.692  -8.615   7.146
  305    HG   LEU  43           HG       LEU  43   7.405  -7.748   9.095
  306   HD11  LEU  43          HD11      LEU  43   5.641  -9.431   9.121
  307   HD12  LEU  43          HD12      LEU  43   6.462  -9.345  10.679
  308   HD13  LEU  43          HD13      LEU  43   6.816 -10.667   9.567
  309   HD21  LEU  43          HD21      LEU  43   8.872  -8.731  10.784
  310   HD22  LEU  43          HD22      LEU  43   9.752  -8.376   9.296
  311   HD23  LEU  43          HD23      LEU  43   9.284 -10.035   9.668
  312    H    ALA  44           HN       ALA  44   7.778  -6.971   5.337
  313    HA   ALA  44           HA       ALA  44   6.990  -4.727   6.842
  314    HB1  ALA  44           HB1      ALA  44   7.882  -4.860   3.964
  315    HB2  ALA  44           HB2      ALA  44   8.932  -4.688   5.372
  316    HB3  ALA  44           HB3      ALA  44   7.804  -3.399   4.950
  317    H    LEU  45           HN       LEU  45   5.627  -6.282   4.007
  318    HA   LEU  45           HA       LEU  45   3.709  -4.340   3.361
  319    HB2  LEU  45           HB2      LEU  45   3.822  -7.306   2.860
  320    HB3  LEU  45           HB1      LEU  45   2.538  -6.287   2.244
  321    HG   LEU  45           HG       LEU  45   5.454  -5.871   1.608
  322   HD11  LEU  45          HD11      LEU  45   3.299  -7.216  -0.018
  323   HD12  LEU  45          HD12      LEU  45   4.706  -7.998   0.703
  324   HD13  LEU  45          HD13      LEU  45   4.922  -6.815  -0.586
  325   HD21  LEU  45          HD21      LEU  45   4.599  -4.396  -0.125
  326   HD22  LEU  45          HD22      LEU  45   4.044  -3.869   1.466
  327   HD23  LEU  45          HD23      LEU  45   2.944  -4.729   0.384
  328    H    MET  46           HN       MET  46   3.447  -7.287   5.367
  329    HA   MET  46           HA       MET  46   0.680  -6.969   5.865
  330    HB2  MET  46           HB2      MET  46   0.904  -8.664   7.557
  331    HB3  MET  46           HB1      MET  46   1.885  -9.114   6.170
  332    HG2  MET  46           HG2      MET  46   3.885  -8.340   7.339
  333    HG3  MET  46           HG1      MET  46   2.897  -7.889   8.727
  334    HE1  MET  46           HE1      MET  46   1.563  -9.661  10.228
  335    HE2  MET  46           HE2      MET  46   1.553 -11.395   9.898
  336    HE3  MET  46           HE3      MET  46   0.778 -10.277   8.773
  337    H    GLU  47           HN       GLU  47   3.535  -5.772   7.567
  338    HA   GLU  47           HA       GLU  47   2.118  -4.651   9.750
  339    HB2  GLU  47           HB2      GLU  47   4.749  -3.826   8.514
  340    HB3  GLU  47           HB1      GLU  47   4.121  -3.208  10.034
  341    HG2  GLU  47           HG2      GLU  47   4.852  -6.074   9.456
  342    HG3  GLU  47           HG1      GLU  47   5.805  -4.921  10.388
  343    H    THR  48           HN       THR  48   3.090  -3.392   6.584
  344    HA   THR  48           HA       THR  48   2.189  -0.754   6.941
  345    HB   THR  48           HB       THR  48   2.367  -2.291   4.341
  346    HG1  THR  48           HG1      THR  48   4.354  -2.273   5.507
  347   HG21  THR  48          HG21      THR  48   2.445   0.673   4.924
  348   HG22  THR  48          HG22      THR  48   1.120  -0.195   4.148
  349   HG23  THR  48          HG23      THR  48   2.685  -0.072   3.343
  350    H    ALA  49           HN       ALA  49   0.527  -3.666   5.869
  351    HA   ALA  49           HA       ALA  49  -1.778  -2.574   4.782
  352    HB1  ALA  49           HB1      ALA  49  -1.611  -5.097   6.414
  353    HB2  ALA  49           HB2      ALA  49  -1.178  -4.961   4.709
  354    HB3  ALA  49           HB3      ALA  49  -2.845  -4.690   5.221
  355    H    ALA  50           HN       ALA  50  -0.970  -3.157   8.157
  356    HA   ALA  50           HA       ALA  50  -3.545  -2.802   9.244
  357    HB1  ALA  50           HB1      ALA  50  -2.383  -2.505  11.387
  358    HB2  ALA  50           HB2      ALA  50  -0.848  -2.363  10.528
  359    HB3  ALA  50           HB3      ALA  50  -1.747  -3.879  10.483
  360    H    ARG  51           HN       ARG  51  -1.069  -0.573   8.281
  361    HA   ARG  51           HA       ARG  51  -1.996   1.675   9.747
  362    HB2  ARG  51           HB2      ARG  51  -0.477   1.931   7.172
  363    HB3  ARG  51           HB1      ARG  51  -0.358   2.899   8.627
  364    HG2  ARG  51           HG2      ARG  51   0.647   0.084   8.309
  365    HG3  ARG  51           HG1      ARG  51   1.633   1.546   8.285
  366    HD2  ARG  51           HD2      ARG  51   1.229   1.970  10.572
  367    HD3  ARG  51           HD1      ARG  51  -0.099   0.806  10.628
  368    HE   ARG  51           HE       ARG  51   2.195  -0.572   9.875
  369   HH11  ARG  51          HH11      ARG  51   1.026   1.172  12.676
  370   HH12  ARG  51          HH12      ARG  51   1.888   0.171  13.810
  371   HH21  ARG  51          HH21      ARG  51   3.316  -1.885  11.342
  372   HH22  ARG  51          HH22      ARG  51   3.193  -1.582  13.049
  373    H    LEU  52           HN       LEU  52  -2.448   0.494   6.457
  374    HA   LEU  52           HA       LEU  52  -3.969   2.712   5.536
  375    HB2  LEU  52           HB2      LEU  52  -4.029  -0.109   4.462
  376    HB3  LEU  52           HB1      LEU  52  -4.454   1.361   3.607
  377    HG   LEU  52           HG       LEU  52  -1.678   0.629   4.535
  378   HD11  LEU  52          HD11      LEU  52  -2.899   0.625   1.780
  379   HD12  LEU  52          HD12      LEU  52  -2.440  -0.795   2.717
  380   HD13  LEU  52          HD13      LEU  52  -1.201   0.325   2.149
  381   HD21  LEU  52          HD21      LEU  52  -2.639   2.937   2.846
  382   HD22  LEU  52          HD22      LEU  52  -0.958   2.552   3.218
  383   HD23  LEU  52          HD23      LEU  52  -2.055   3.044   4.507
  384    H    GLU  53           HN       GLU  53  -4.836  -0.532   6.681
  385    HA   GLU  53           HA       GLU  53  -7.584  -0.372   6.260
  386    HB2  GLU  53           HB2      GLU  53  -6.053  -1.910   8.369
  387    HB3  GLU  53           HB1      GLU  53  -7.761  -2.138   8.025
  388    HG2  GLU  53           HG2      GLU  53  -7.235  -2.830   5.757
  389    HG3  GLU  53           HG1      GLU  53  -5.521  -2.562   6.061
  390    H    SER  54           HN       SER  54  -5.747   0.371   9.221
  391    HA   SER  54           HA       SER  54  -8.031   1.061  10.732
  392    HB2  SER  54           HB2      SER  54  -5.790   0.388  11.655
  393    HB3  SER  54           HB1      SER  54  -5.193   1.989  11.215
  394    HG   SER  54           HG       SER  54  -7.096   2.736  12.537
  395    H    ARG  55           HN       ARG  55  -5.758   3.012   8.816
  396    HA   ARG  55           HA       ARG  55  -6.720   5.503   9.796
  397    HB2  ARG  55           HB2      ARG  55  -4.467   5.303   8.907
  398    HB3  ARG  55           HB1      ARG  55  -5.101   4.866   7.326
  399    HG2  ARG  55           HG2      ARG  55  -6.023   7.056   7.014
  400    HG3  ARG  55           HG1      ARG  55  -5.604   7.517   8.664
  401    HD2  ARG  55           HD2      ARG  55  -3.628   6.774   6.508
  402    HD3  ARG  55           HD1      ARG  55  -4.025   8.420   6.994
  403    HE   ARG  55           HE       ARG  55  -3.267   7.283   9.319
  404   HH11  ARG  55          HH11      ARG  55  -1.727   7.443   6.155
  405   HH12  ARG  55          HH12      ARG  55  -0.115   7.388   6.808
  406   HH21  ARG  55          HH21      ARG  55  -1.150   7.217  10.148
  407   HH22  ARG  55          HH22      ARG  55   0.217   7.255   9.066
  408    H    TYR  56           HN       TYR  56  -7.317   3.729   6.761
  409    HA   TYR  56           HA       TYR  56  -9.110   5.876   5.922
  410    HB2  TYR  56           HB2      TYR  56  -8.142   3.460   4.372
  411    HB3  TYR  56           HB1      TYR  56  -9.048   4.824   3.715
  412    HD1  TYR  56           HD2      TYR  56  -7.985   7.018   3.458
  413    HD2  TYR  56           HD1      TYR  56  -5.772   3.666   4.866
  414    HE1  TYR  56           HE2      TYR  56  -5.891   8.201   2.964
  415    HE2  TYR  56           HE1      TYR  56  -3.666   4.843   4.364
  416    HH   TYR  56           HH       TYR  56  -2.770   6.611   3.201
  417    H    GLY  57           HN       GLY  57  -9.451   3.339   7.818
  418    HA2  GLY  57           HA2      GLY  57 -11.314   2.289   8.644
  419    HA3  GLY  57           HA1      GLY  57 -12.273   3.369   7.645
  420    H    VAL  58           HN       VAL  58  -9.891   0.884   6.760
  421    HA   VAL  58           HA       VAL  58 -12.027  -0.432   5.220
  422    HB   VAL  58           HB       VAL  58 -10.456  -0.898   3.405
  423   HG11  VAL  58          HG11      VAL  58 -10.238   1.362   2.497
  424   HG12  VAL  58          HG12      VAL  58 -10.606   2.027   4.088
  425   HG13  VAL  58          HG13      VAL  58 -11.822   1.088   3.221
  426   HG21  VAL  58          HG21      VAL  58  -8.374  -0.936   4.625
  427   HG22  VAL  58          HG22      VAL  58  -8.518   0.783   4.989
  428   HG23  VAL  58          HG23      VAL  58  -8.272   0.252   3.325
  429    H    SER  59           HN       SER  59 -10.983  -2.590   4.300
  430    HA   SER  59           HA       SER  59  -9.064  -3.798   6.080
  431    HB2  SER  59           HB2      SER  59 -10.549  -5.839   6.319
  432    HB3  SER  59           HB1      SER  59 -11.066  -4.430   7.241
  433    HG   SER  59           HG       SER  59 -12.765  -5.510   6.068
  434    H    ILE  60           HN       ILE  60  -7.793  -5.230   4.999
  435    HA   ILE  60           HA       ILE  60  -8.254  -5.369   2.122
  436    HB   ILE  60           HB       ILE  60  -5.817  -6.210   3.706
  437   HG12  ILE  60          HG12      ILE  60  -6.343  -3.700   2.092
  438   HG13  ILE  60          HG11      ILE  60  -6.285  -3.792   3.851
  439   HG21  ILE  60          HG21      ILE  60  -6.007  -7.374   1.571
  440   HG22  ILE  60          HG22      ILE  60  -4.671  -6.223   1.539
  441   HG23  ILE  60          HG23      ILE  60  -6.194  -5.834   0.736
  442   HD11  ILE  60          HD11      ILE  60  -4.232  -2.888   2.944
  443   HD12  ILE  60          HD12      ILE  60  -3.997  -4.346   1.979
  444   HD13  ILE  60          HD13      ILE  60  -3.939  -4.434   3.740
  445    HA   PRO  61           HA       PRO  61 -10.113  -9.427   2.574
  446    HB2  PRO  61           HB2      PRO  61  -9.429  -9.458  -0.324
  447    HB3  PRO  61           HB1      PRO  61 -10.960  -9.831   0.475
  448    HG2  PRO  61           HG2      PRO  61 -10.643  -7.523  -0.810
  449    HG3  PRO  61           HG1      PRO  61 -11.530  -7.599   0.725
  450    HD2  PRO  61           HD2      PRO  61  -8.763  -6.617   0.180
  451    HD3  PRO  61           HD1      PRO  61  -9.977  -5.994   1.314
  452    H    ASP  62           HN       ASP  62  -9.144 -11.219   3.189
  453    HA   ASP  62           HA       ASP  62  -6.359 -11.522   3.113
  454    HB2  ASP  62           HB2      ASP  62  -6.796 -13.787   4.065
  455    HB3  ASP  62           HB1      ASP  62  -7.598 -12.478   4.926
  456    H    ASP  63           HN       ASP  63  -8.766 -12.479   0.838
  457    HA   ASP  63           HA       ASP  63  -7.133 -14.452  -0.473
  458    HB2  ASP  63           HB2      ASP  63  -9.688 -13.036  -1.176
  459    HB3  ASP  63           HB1      ASP  63  -8.827 -13.958  -2.402
  460    H    VAL  64           HN       VAL  64  -8.064 -11.105  -1.208
  461    HA   VAL  64           HA       VAL  64  -6.468 -11.027  -3.584
  462    HB   VAL  64           HB       VAL  64  -7.689  -8.670  -2.140
  463   HG11  VAL  64          HG11      VAL  64  -7.747  -7.645  -4.359
  464   HG12  VAL  64          HG12      VAL  64  -6.956  -9.068  -5.038
  465   HG13  VAL  64          HG13      VAL  64  -6.102  -8.053  -3.873
  466   HG21  VAL  64          HG21      VAL  64  -8.966 -10.445  -4.220
  467   HG22  VAL  64          HG22      VAL  64  -9.665  -8.979  -3.531
  468   HG23  VAL  64          HG23      VAL  64  -9.388 -10.389  -2.509
  469    H    ALA  65           HN       ALA  65  -5.859 -10.458  -0.264
  470    HA   ALA  65           HA       ALA  65  -3.914  -8.451  -0.355
  471    HB1  ALA  65           HB1      ALA  65  -3.205  -9.245   1.830
  472    HB2  ALA  65           HB2      ALA  65  -4.089 -10.752   1.584
  473    HB3  ALA  65           HB3      ALA  65  -4.965  -9.227   1.718
  474    H    GLY  66           HN       GLY  66  -3.630 -11.919  -0.769
  475    HA2  GLY  66           HA2      GLY  66  -0.744 -11.613  -1.216
  476    HA3  GLY  66           HA1      GLY  66  -1.580 -13.134  -0.933
  477    H    ARG  67           HN       ARG  67  -2.560 -10.614  -3.195
  478    HA   ARG  67           HA       ARG  67  -1.738 -12.253  -5.480
  479    HB2  ARG  67           HB2      ARG  67  -4.579 -11.463  -4.819
  480    HB3  ARG  67           HB1      ARG  67  -4.083 -11.861  -6.459
  481    HG2  ARG  67           HG2      ARG  67  -3.615 -14.080  -5.901
  482    HG3  ARG  67           HG1      ARG  67  -3.599 -13.734  -4.174
  483    HD2  ARG  67           HD2      ARG  67  -5.622 -14.923  -4.768
  484    HD3  ARG  67           HD1      ARG  67  -6.004 -13.285  -4.246
  485    HE   ARG  67           HE       ARG  67  -5.933 -12.958  -6.888
  486   HH11  ARG  67          HH11      ARG  67  -7.332 -15.565  -5.014
  487   HH12  ARG  67          HH12      ARG  67  -8.677 -15.796  -6.091
  488   HH21  ARG  67          HH21      ARG  67  -7.694 -13.262  -8.322
  489   HH22  ARG  67          HH22      ARG  67  -8.889 -14.477  -7.968
  490    H    VAL  68           HN       VAL  68  -0.588  -9.879  -4.635
  491    HA   VAL  68           HA       VAL  68  -1.215  -8.146  -6.903
  492    HB   VAL  68           HB       VAL  68  -0.912  -6.104  -5.508
  493   HG11  VAL  68          HG11      VAL  68  -3.153  -6.866  -6.141
  494   HG12  VAL  68          HG12      VAL  68  -3.151  -6.069  -4.568
  495   HG13  VAL  68          HG13      VAL  68  -3.238  -7.828  -4.664
  496   HG21  VAL  68          HG21      VAL  68  -1.110  -6.232  -3.095
  497   HG22  VAL  68          HG22      VAL  68   0.278  -7.174  -3.638
  498   HG23  VAL  68          HG23      VAL  68  -1.212  -7.992  -3.174
  499    H    ASP  69           HN       ASP  69   0.535  -6.491  -7.247
  500    HA   ASP  69           HA       ASP  69   3.148  -7.343  -6.202
  501    HB2  ASP  69           HB2      ASP  69   2.284  -7.285  -9.061
  502    HB3  ASP  69           HB1      ASP  69   3.932  -6.795  -8.680
  503    H    THR  70           HN       THR  70   1.302  -4.947  -8.023
  504    HA   THR  70           HA       THR  70   3.332  -2.932  -7.325
  505    HB   THR  70           HB       THR  70   2.336  -1.559  -9.132
  506    HG1  THR  70           HG1      THR  70   0.694  -3.880  -9.442
  507   HG21  THR  70          HG21      THR  70   3.153  -2.905 -11.015
  508   HG22  THR  70          HG22      THR  70   3.150  -4.345  -9.997
  509   HG23  THR  70          HG23      THR  70   4.248  -3.012  -9.636
  510    HA   PRO  71           HA       PRO  71   0.531  -0.691  -4.652
  511    HB2  PRO  71           HB2      PRO  71   1.674   1.698  -5.992
  512    HB3  PRO  71           HB1      PRO  71   1.569   1.308  -4.273
  513    HG2  PRO  71           HG2      PRO  71   3.893   1.142  -5.568
  514    HG3  PRO  71           HG1      PRO  71   3.453  -0.040  -4.321
  515    HD2  PRO  71           HD2      PRO  71   3.415  -0.310  -7.297
  516    HD3  PRO  71           HD1      PRO  71   3.859  -1.504  -6.059
  517    H    ARG  72           HN       ARG  72   0.797  -0.066  -8.107
  518    HA   ARG  72           HA       ARG  72  -1.470   1.476  -8.553
  519    HB2  ARG  72           HB2      ARG  72   0.085   0.940 -10.335
  520    HB3  ARG  72           HB1      ARG  72  -0.317  -0.761 -10.225
  521    HG2  ARG  72           HG2      ARG  72  -1.373   0.173 -12.160
  522    HG3  ARG  72           HG1      ARG  72  -2.610  -0.239 -10.976
  523    HD2  ARG  72           HD2      ARG  72  -1.483   2.538 -11.258
  524    HD3  ARG  72           HD1      ARG  72  -2.873   1.977 -12.180
  525    HE   ARG  72           HE       ARG  72  -2.856   1.955  -9.234
  526   HH11  ARG  72          HH11      ARG  72  -4.398   2.952 -12.248
  527   HH12  ARG  72          HH12      ARG  72  -5.867   3.432 -11.454
  528   HH21  ARG  72          HH21      ARG  72  -4.762   2.647  -8.226
  529   HH22  ARG  72          HH22      ARG  72  -6.071   3.280  -9.175
  530    H    GLU  73           HN       GLU  73  -1.195  -2.049  -8.586
  531    HA   GLU  73           HA       GLU  73  -3.944  -2.600  -8.859
  532    HB2  GLU  73           HB2      GLU  73  -1.780  -4.325  -7.627
  533    HB3  GLU  73           HB1      GLU  73  -3.334  -4.888  -8.227
  534    HG2  GLU  73           HG2      GLU  73  -2.742  -4.571 -10.444
  535    HG3  GLU  73           HG1      GLU  73  -1.443  -3.450 -10.041
  536    H    LEU  74           HN       LEU  74  -1.827  -2.500  -6.028
  537    HA   LEU  74           HA       LEU  74  -3.666  -3.284  -4.083
  538    HB2  LEU  74           HB2      LEU  74  -1.097  -2.902  -4.004
  539    HB3  LEU  74           HB1      LEU  74  -1.509  -1.258  -3.573
  540    HG   LEU  74           HG       LEU  74  -0.944  -2.755  -1.648
  541   HD11  LEU  74          HD11      LEU  74  -2.732  -1.967  -0.211
  542   HD12  LEU  74          HD12      LEU  74  -3.723  -1.596  -1.621
  543   HD13  LEU  74          HD13      LEU  74  -2.227  -0.705  -1.337
  544   HD21  LEU  74          HD21      LEU  74  -2.628  -4.352  -0.881
  545   HD22  LEU  74          HD22      LEU  74  -1.989  -4.798  -2.462
  546   HD23  LEU  74          HD23      LEU  74  -3.580  -4.050  -2.333
  547    H    LEU  75           HN       LEU  75  -2.750  -0.006  -5.111
  548    HA   LEU  75           HA       LEU  75  -4.447   1.430  -3.415
  549    HB2  LEU  75           HB2      LEU  75  -2.577   2.392  -4.719
  550    HB3  LEU  75           HB1      LEU  75  -3.503   2.164  -6.188
  551    HG   LEU  75           HG       LEU  75  -5.226   3.733  -5.258
  552   HD11  LEU  75          HD11      LEU  75  -4.555   5.200  -3.425
  553   HD12  LEU  75          HD12      LEU  75  -3.090   4.245  -3.197
  554   HD13  LEU  75          HD13      LEU  75  -4.671   3.520  -2.902
  555   HD21  LEU  75          HD21      LEU  75  -2.433   4.821  -5.601
  556   HD22  LEU  75          HD22      LEU  75  -3.925   5.749  -5.739
  557   HD23  LEU  75          HD23      LEU  75  -3.575   4.465  -6.897
  558    H    ASP  76           HN       ASP  76  -4.982   0.153  -6.664
  559    HA   ASP  76           HA       ASP  76  -7.458   1.457  -7.115
  560    HB2  ASP  76           HB2      ASP  76  -5.962   0.512  -8.888
  561    HB3  ASP  76           HB1      ASP  76  -6.469  -1.099  -8.390
  562    H    LEU  77           HN       LEU  77  -6.586  -1.675  -5.783
  563    HA   LEU  77           HA       LEU  77  -9.154  -2.813  -5.706
  564    HB2  LEU  77           HB2      LEU  77  -6.968  -4.000  -5.369
  565    HB3  LEU  77           HB1      LEU  77  -6.869  -3.280  -3.780
  566    HG   LEU  77           HG       LEU  77  -7.643  -5.698  -3.907
  567   HD11  LEU  77          HD11      LEU  77  -7.926  -4.351  -1.896
  568   HD12  LEU  77          HD12      LEU  77  -9.289  -5.445  -2.134
  569   HD13  LEU  77          HD13      LEU  77  -9.456  -3.733  -2.521
  570   HD21  LEU  77          HD21      LEU  77  -9.133  -5.500  -5.811
  571   HD22  LEU  77          HD22      LEU  77 -10.161  -4.382  -4.915
  572   HD23  LEU  77          HD23      LEU  77 -10.018  -6.059  -4.392
  573    H    ILE  78           HN       ILE  78  -7.333  -1.044  -3.203
  574    HA   ILE  78           HA       ILE  78  -9.375  -1.122  -1.257
  575    HB   ILE  78           HB       ILE  78  -7.161   0.914  -1.556
  576   HG12  ILE  78          HG12      ILE  78  -7.278  -1.699  -0.023
  577   HG13  ILE  78          HG11      ILE  78  -6.300  -1.378  -1.450
  578   HG21  ILE  78          HG21      ILE  78  -8.951   1.647  -0.052
  579   HG22  ILE  78          HG22      ILE  78  -7.466   1.303   0.836
  580   HG23  ILE  78          HG23      ILE  78  -8.798   0.145   0.861
  581   HD11  ILE  78          HD11      ILE  78  -4.919  -1.299   0.504
  582   HD12  ILE  78          HD12      ILE  78  -5.991  -0.123   1.265
  583   HD13  ILE  78          HD13      ILE  78  -5.062   0.327  -0.166
  584    H    ASN  79           HN       ASN  79  -8.476   1.382  -3.618
  585    HA   ASN  79           HA       ASN  79 -10.420   3.271  -2.890
  586    HB2  ASN  79           HB2      ASN  79  -8.641   2.818  -5.188
  587    HB3  ASN  79           HB1      ASN  79 -10.116   3.696  -5.577
  588   HD21  ASN  79          HD21      ASN  79  -7.155   3.740  -3.749
  589   HD22  ASN  79          HD22      ASN  79  -7.176   5.430  -3.378
  590    H    GLY  80           HN       GLY  80 -10.555   0.519  -5.106
  591    HA2  GLY  80           HA2      GLY  80 -13.092   1.084  -6.226
  592    HA3  GLY  80           HA1      GLY  80 -12.313  -0.490  -6.184
  593    H    ALA  81           HN       ALA  81 -12.111  -0.702  -3.352
  594    HA   ALA  81           HA       ALA  81 -14.713  -1.709  -2.770
  595    HB1  ALA  81           HB1      ALA  81 -12.329  -1.344  -0.954
  596    HB2  ALA  81           HB2      ALA  81 -12.708  -2.783  -1.902
  597    HB3  ALA  81           HB3      ALA  81 -13.770  -2.290  -0.584
  598    H    LEU  82           HN       LEU  82 -13.023   1.248  -2.070
  599    HA   LEU  82           HA       LEU  82 -14.790   2.155  -0.012
  600    HB2  LEU  82           HB2      LEU  82 -12.732   3.532  -1.723
  601    HB3  LEU  82           HB1      LEU  82 -13.716   4.408  -0.568
  602    HG   LEU  82           HG       LEU  82 -11.884   2.122   0.144
  603   HD11  LEU  82          HD11      LEU  82 -11.491   5.094   0.486
  604   HD12  LEU  82          HD12      LEU  82 -10.611   4.054  -0.636
  605   HD13  LEU  82          HD13      LEU  82 -10.427   3.829   1.104
  606   HD21  LEU  82          HD21      LEU  82 -13.395   4.092   1.853
  607   HD22  LEU  82          HD22      LEU  82 -12.282   2.854   2.438
  608   HD23  LEU  82          HD23      LEU  82 -13.787   2.386   1.646
  609    H    ALA  83           HN       ALA  83 -14.957   2.057  -3.427
  610    HA   ALA  83           HA       ALA  83 -16.580   4.316  -3.910
  611    HB1  ALA  83           HB1      ALA  83 -16.385   1.752  -5.482
  612    HB2  ALA  83           HB2      ALA  83 -15.373   3.182  -5.689
  613    HB3  ALA  83           HB3      ALA  83 -17.097   3.262  -6.052
  614    H    GLU  84           HN       GLU  84 -17.333   1.139  -2.675
  615    HA   GLU  84           HA       GLU  84 -20.199   1.715  -2.936
  616    HB2  GLU  84           HB2      GLU  84 -20.576  -0.613  -2.311
  617    HB3  GLU  84           HB1      GLU  84 -19.491  -0.499  -3.687
  618    HG2  GLU  84           HG2      GLU  84 -17.586  -0.930  -2.257
  619    HG3  GLU  84           HG1      GLU  84 -18.634  -0.960  -0.838
  620    H    ALA  85           HN       ALA  85 -17.913   2.562  -0.905
  621    HA   ALA  85           HA       ALA  85 -19.327   1.943   1.579
  622    HB1  ALA  85           HB1      ALA  85 -16.693   3.355   1.143
  623    HB2  ALA  85           HB2      ALA  85 -16.899   1.654   1.561
  624    HB3  ALA  85           HB3      ALA  85 -17.382   2.907   2.704
  625    H    ALA  86           HN       ALA  86 -19.523   4.156  -0.801
  626    HA   ALA  86           HA       ALA  86 -20.044   6.453   0.924
  627    HB1  ALA  86           HB1      ALA  86 -20.071   6.270  -2.095
  628    HB2  ALA  86           HB2      ALA  86 -18.718   6.834  -1.113
  629    HB3  ALA  86           HB3      ALA  86 -20.229   7.741  -1.139
  630    H28  SXO  87          H28B      SXO  87   6.428 -12.127   5.740
  631   H28A  SXO  87          H28A      SXO  87   7.433 -13.355   6.517
  632    H30  SXO  87          H30A      SXO  87   3.841 -13.431   7.745
  633   H30A  SXO  87          H30C      SXO  87   5.468 -12.969   8.242
  634   H30B  SXO  87          H30B      SXO  87   4.619 -12.023   7.018
  635    H31  SXO  87          H31A      SXO  87   3.480 -14.573   5.533
  636   H31A  SXO  87          H31B      SXO  87   4.812 -14.614   4.375
  637   H31B  SXO  87          H31C      SXO  87   4.076 -13.075   4.817
  638    H32  SXO  87          H32A      SXO  87   6.190 -15.181   7.869
  639   HO33  SXO  87          H33A      SXO  87   6.176 -16.714   5.603
  640   HN36  SXO  87          H36A      SXO  87   3.704 -14.913   8.369
  641    H37  SXO  87          H37A      SXO  87   2.453 -17.523   7.985
  642   H37A  SXO  87          H37B      SXO  87   2.012 -16.304   9.183
  643    H38  SXO  87          H38B      SXO  87   0.307 -16.600   7.424
  644   H38A  SXO  87          H38A      SXO  87   1.490 -16.097   6.222
  645   HN41  SXO  87          H41A      SXO  87   0.043 -14.485   5.633
  646    H42  SXO  87          H42A      SXO  87  -1.195 -12.520   7.025
  647   H42A  SXO  87          H42B      SXO  87   0.467 -11.939   6.891
  648    H43  SXO  87          H43B      SXO  87  -1.147 -12.823   4.501
  649   H43A  SXO  87          H43A      SXO  87  -1.124 -11.151   5.094
  650    H2   SXO  87           H2A      SXO  87   0.581 -10.570   0.750
  651    H2A  SXO  87           H2B      SXO  87   2.032 -10.812   1.726
  652    H3   SXO  87           H3B      SXO  87   1.305  -9.067   3.263
  653    H3A  SXO  87           H3A      SXO  87   1.398  -8.450   1.611
  654    H4   SXO  87           H4A      SXO  87  -1.106  -9.292   3.084
  655    H4A  SXO  87           H4B      SXO  87  -1.049  -8.780   1.395
  656    H5   SXO  87           H5B      SXO  87  -1.747  -6.985   2.989
  657    H5A  SXO  87           H5A      SXO  87  -0.139  -7.068   3.703
  658    H6   SXO  87           H6A      SXO  87  -0.715  -6.441   0.810
  659    H6A  SXO  87           H6B      SXO  87   0.872  -6.455   1.583
  660    H7   SXO  87           H7A      SXO  87   0.185  -4.615   3.049
  661    H7A  SXO  87           H7B      SXO  87  -1.416  -4.604   2.290
  662    H8   SXO  87           H8C      SXO  87   0.030  -2.859   1.369
  663    H8A  SXO  87           H8A      SXO  87  -0.390  -4.054   0.145
  664    H8B  SXO  87           H8B      SXO  87   1.207  -4.082   0.894