*HEADER    NEUROPEPTIDE                            06-AUG-19   6KNP              
*TITLE     STRUCTURE OF SINGLE DISULFIDE PEPTIDE CZON1107-P7A(MAJOR CONFORMER)   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CZON1107-P7A(MAJOR);                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS ZONATUS;                                  
*SOURCE   4 ORGANISM_TAXID: 754466                                               
*KEYWDS    NACHR ANATGONIST NMR, NEUROPEPTIDE                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    22                                                                    
*AUTHOR    S.P.SARMA,M.MADHAN KUMAR                                              
*REVDAT   1   08-APR-20 6KNP    0                                                
# Restraints file 1: czon1107_noe_p7a_tc.upl
  2 PHE  H       1 GLY  HA2     2.40
  2 PHE  H       2 PHE  HA      3.50
  2 PHE  HB2     2 PHE  H       5.00
  2 PHE  HB2     2 PHE  HA      3.50
  2 PHE  HB2     2 PHE  QD      5.00
  2 PHE  HB2     4 SER  H       5.00
  3 ARG  H       2 PHE  H       4.00
  3 ARG  H       2 PHE  HA      2.40
  3 ARG  H       2 PHE  HB2     5.50
  3 ARG  H       3 ARG  HA      3.50
  3 ARG  H       3 ARG  HB2     5.00
  3 ARG  H       3 ARG  HB3     0.00
  3 ARG  H       3 ARG  HG2     5.00
  3 ARG  HA      3 ARG  HD2     5.00
  3 ARG  HA      3 ARG  HE      5.00
  3 ARG  HB2     3 ARG  HA      3.50
  3 ARG  HB2     3 ARG  HD2     5.00
  3 ARG  HB2     3 ARG  HE      5.00
  3 ARG  HB2     4 SER  H       5.00
  3 ARG  HB3     3 ARG  HA      0.00
  3 ARG  HB3     3 ARG  HD2     0.00
  3 ARG  HB3     3 ARG  HE      0.00
  3 ARG  HB3     4 SER  H       0.00
  3 ARG  HD2     3 ARG  HE      3.50
  3 ARG  HG2     3 ARG  HA      5.00
  3 ARG  HG2     3 ARG  HB2     3.50
  3 ARG  HG2     3 ARG  HB3     0.00
  3 ARG  HG2     3 ARG  HD2     3.50
  3 ARG  HG2     3 ARG  HE      5.00
  3 ARG  HG2     4 SER  H       6.00
  4 SER  H       3 ARG  HA      2.40
  4 SER  H       4 SER  HA      3.50
  4 SER  HB2     4 SER  H       5.00
  4 SER  HB2     4 SER  HA      3.50
  6 CYSS H       4 SER  HB2     6.00
  6 CYSS H       5 PRO  HA      3.50
  6 CYSS H       6 CYSS HA      3.50
  6 CYSS H       6 CYSS HB2     5.00
  6 CYSS H       6 CYSS HB3     0.00
  6 CYSS HB3    10 CYSS H       5.50
  7 ALA  H       4 SER  HB2     5.50
  7 ALA  H       7 ALA  HA      3.50
  7 ALA  H       7 ALA  QB      5.00
  7 ALA  H       9 PHE  H       5.50
  7 ALA  HA      8 PRO  HA      4.20
  7 ALA  HA      9 PHE  H       5.50
  7 ALA  HA      9 PHE  QD      5.50
  7 ALA  HA      10 CYSS H      5.50
  7 ALA  QB      4 SER  H       5.50
  7 ALA  QB      7 ALA  HA      5.50
  7 ALA  QB      8 PRO  HA      5.50
  9 PHE  H       8 PRO  HA      3.50
  9 PHE  H       8 PRO  HD2     6.00
  9 PHE  H       9 PHE  HA      3.50
  9 PHE  H       9 PHE  HB2     5.00
  9 PHE  H       9 PHE  HB3     0.00
  9 PHE  HA      9 PHE  QD      5.00
  9 PHE  HB2     9 PHE  HA      3.50
  9 PHE  HB2     9 PHE  QD      5.50
  9 PHE  HB2     9 PHE  QE      6.00
  9 PHE  HB3     9 PHE  HA      0.00
  9 PHE  HB3     9 PHE  QD      0.00
 10 CYSS H       9 PHE  H       6.00
 10 CYSS H       9 PHE  HA      5.37
 10 CYSS H       9 PHE  HB3     6.00
 10 CYSS H      10 CYSS HA      5.26
 10 CYSS HB2    10 CYSS H       6.00
 10 CYSS HB2    10 CYSS HA      6.00
 10 CYSS HB3    10 CYSS H       5.64
 10 CYSS HB3    10 CYSS HA      6.00
 11 NH2 HN1      9 PHE  HA      6.00
 11 NH2 HN1     10 CYSS H       6.00
 11 NH2 HN1     10 CYSS HA      5.37
 11 NH2 HN1     10 CYSS HB2     6.00
 11 NH2 HN1     10 CYSS HB3     6.00
 11 NH2 HN1     11 NH2  HN2     4.43
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  -0.348   1.377  -2.588
    2    H2   GLY   1           HT2      GLY   1   0.459   0.224  -1.649
    3    H3   GLY   1           HT3      GLY   1   1.137   0.761  -3.102
    4    HA2  GLY   1           HA1      GLY   1   0.671   2.457  -0.728
    5    HA3  GLY   1           HA2      GLY   1   2.216   1.748  -1.171
    6    H    PHE   2           HN       PHE   2   2.483   4.268  -0.970
    7    HA   PHE   2           HA       PHE   2   2.459   5.291  -3.700
    8    HB2  PHE   2           HB2      PHE   2   1.569   6.825  -1.252
    9    HB3  PHE   2           HB1      PHE   2   1.966   7.576  -2.790
   10    HD1  PHE   2           HD1      PHE   2  -0.533   5.817  -0.874
   11    HD2  PHE   2           HD2      PHE   2   0.556   7.088  -4.786
   12    HE1  PHE   2           HE1      PHE   2  -2.851   5.489  -1.621
   13    HE2  PHE   2           HE2      PHE   2  -1.762   6.761  -5.541
   14    HZ   PHE   2           HZ       PHE   2  -3.469   5.959  -3.956
   15    H    ARG   3           HN       ARG   3   4.619   4.751  -3.760
   16    HA   ARG   3           HA       ARG   3   6.330   6.387  -2.024
   17    HB2  ARG   3           HB2      ARG   3   7.047   3.924  -3.591
   18    HB3  ARG   3           HB1      ARG   3   8.153   4.858  -2.600
   19    HG2  ARG   3           HG2      ARG   3   6.813   4.356  -0.608
   20    HG3  ARG   3           HG1      ARG   3   5.725   3.382  -1.597
   21    HD2  ARG   3           HD2      ARG   3   8.672   2.860  -1.436
   22    HD3  ARG   3           HD1      ARG   3   7.529   2.150  -0.299
   23    HE   ARG   3           HE       ARG   3   6.435   1.353  -2.542
   24   HH11  ARG   3          HH11      ARG   3   9.851   1.474  -1.749
   25   HH12  ARG   3          HH12      ARG   3  10.266   0.121  -2.739
   26   HH21  ARG   3          HH21      ARG   3   6.992  -0.455  -3.872
   27   HH22  ARG   3          HH22      ARG   3   8.638  -0.985  -3.930
   28    H    SER   4           HN       SER   4   6.114   8.259  -3.262
   29    HA   SER   4           HA       SER   4   7.090   8.218  -5.988
   30    HB2  SER   4           HB2      SER   4   6.220  10.540  -4.249
   31    HB3  SER   4           HB1      SER   4   6.515  10.605  -5.989
   32    HG   SER   4           HG       SER   4   4.852   8.797  -5.984
   33    HA   PRO   5           HA       PRO   5  11.296   9.184  -4.872
   34    HB2  PRO   5           HB2      PRO   5  11.604  10.766  -7.315
   35    HB3  PRO   5           HB1      PRO   5  12.315   9.203  -6.911
   36    HG2  PRO   5           HG2      PRO   5  10.407   9.466  -8.802
   37    HG3  PRO   5           HG1      PRO   5  10.539   8.020  -7.786
   38    HD2  PRO   5           HD2      PRO   5   8.675  10.354  -7.527
   39    HD3  PRO   5           HD1      PRO   5   8.338   8.616  -7.370
   40    H    CYS   6           HN       CYS   6   9.302  11.034  -3.898
   41    HA   CYS   6           HA       CYS   6  11.017  13.229  -3.226
   42    HB2  CYS   6           HB2      CYS   6   9.363  14.943  -3.932
   43    HB3  CYS   6           HB1      CYS   6  10.156  14.150  -5.294
   44    H    ALA   7           HN       ALA   7   9.790  11.109  -1.842
   45    HA   ALA   7           HA       ALA   7   7.548  12.445  -0.517
   46    HB1  ALA   7           HB1      ALA   7   7.009  10.290  -1.587
   47    HB2  ALA   7           HB2      ALA   7   6.769  10.247   0.160
   48    HB3  ALA   7           HB3      ALA   7   8.198   9.499  -0.552
   49    HA   PRO   8           HA       PRO   8   6.351  12.197   0.926
   50    HB2  PRO   8           HB2      PRO   8   5.492  13.005   3.290
   51    HB3  PRO   8           HB1      PRO   8   5.961  11.317   3.047
   52    HG2  PRO   8           HG2      PRO   8   7.472  13.531   4.376
   53    HG3  PRO   8           HG1      PRO   8   7.340  11.826   4.847
   54    HD2  PRO   8           HD2      PRO   8   9.458  12.972   3.409
   55    HD3  PRO   8           HD1      PRO   8   9.109  11.238   3.533
   56    H    PHE   9           HN       PHE   9   8.349  14.216   0.153
   57    HA   PHE   9           HA       PHE   9   6.886  16.652   0.908
   58    HB2  PHE   9           HB2      PHE   9   9.891  16.444   0.857
   59    HB3  PHE   9           HB1      PHE   9   8.967  17.911   1.138
   60    HD1  PHE   9           HD1      PHE   9   7.842  18.277   3.250
   61    HD2  PHE   9           HD2      PHE   9  10.091  14.750   2.520
   62    HE1  PHE   9           HE1      PHE   9   7.869  17.814   5.665
   63    HE2  PHE   9           HE2      PHE   9  10.135  14.276   4.949
   64    HZ   PHE   9           HZ       PHE   9   9.019  15.811   6.518
   65    H    CYS  10           HN       CYS  10   5.962  16.360  -1.274
   66    HA   CYS  10           HA       CYS  10   7.325  18.214  -2.987
   67    HB2  CYS  10           HB2      CYS  10   6.989  16.807  -5.053
   68    HB3  CYS  10           HB1      CYS  10   8.287  16.314  -3.986
   69    HN1  NH2  11           H1       CYS  10   5.651  19.549  -2.483
   70    HN2  NH2  11           H2       CYS  10   4.056  19.336  -3.116
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -1.444   5.658  -0.024
    2    H2   GLY   1           HT2      GLY   1  -1.581   4.001  -0.328
    3    H3   GLY   1           HT3      GLY   1  -1.152   5.062  -1.573
    4    HA2  GLY   1           HA1      GLY   1   0.471   4.529   0.839
    5    HA3  GLY   1           HA2      GLY   1   0.757   3.827  -0.747
    6    H    PHE   2           HN       PHE   2   2.873   5.035   0.033
    7    HA   PHE   2           HA       PHE   2   2.844   7.606  -1.352
    8    HB2  PHE   2           HB2      PHE   2   4.345   6.994   1.198
    9    HB3  PHE   2           HB1      PHE   2   4.585   8.428   0.208
   10    HD1  PHE   2           HD1      PHE   2   2.479   6.782   2.671
   11    HD2  PHE   2           HD2      PHE   2   2.845  10.162   0.112
   12    HE1  PHE   2           HE1      PHE   2   0.727   7.935   3.952
   13    HE2  PHE   2           HE2      PHE   2   1.090  11.321   1.389
   14    HZ   PHE   2           HZ       PHE   2   0.030  10.207   3.311
   15    H    ARG   3           HN       ARG   3   3.584   6.468  -3.124
   16    HA   ARG   3           HA       ARG   3   6.416   5.764  -2.881
   17    HB2  ARG   3           HB2      ARG   3   4.368   4.520  -4.708
   18    HB3  ARG   3           HB1      ARG   3   6.097   4.239  -4.826
   19    HG2  ARG   3           HG2      ARG   3   6.122   3.318  -2.555
   20    HG3  ARG   3           HG1      ARG   3   4.382   3.575  -2.435
   21    HD2  ARG   3           HD2      ARG   3   5.610   1.906  -4.601
   22    HD3  ARG   3           HD1      ARG   3   5.204   1.233  -3.029
   23    HE   ARG   3           HE       ARG   3   2.879   2.273  -3.651
   24   HH11  ARG   3          HH11      ARG   3   5.087   0.508  -5.734
   25   HH12  ARG   3          HH12      ARG   3   3.834  -0.148  -6.725
   26   HH21  ARG   3          HH21      ARG   3   1.212   1.419  -4.982
   27   HH22  ARG   3          HH22      ARG   3   1.619   0.390  -6.307
   28    H    SER   4           HN       SER   4   7.028   7.819  -3.295
   29    HA   SER   4           HA       SER   4   7.048   8.506  -6.131
   30    HB2  SER   4           HB2      SER   4   6.287  10.473  -3.953
   31    HB3  SER   4           HB1      SER   4   6.522  10.867  -5.656
   32    HG   SER   4           HG       SER   4   4.822   8.916  -5.682
   33    HA   PRO   5           HA       PRO   5  11.286   9.238  -5.043
   34    HB2  PRO   5           HB2      PRO   5  12.111  10.658  -7.172
   35    HB3  PRO   5           HB1      PRO   5  11.669   8.951  -7.312
   36    HG2  PRO   5           HG2      PRO   5  10.049  11.384  -7.973
   37    HG3  PRO   5           HG1      PRO   5  10.259   9.894  -8.913
   38    HD2  PRO   5           HD2      PRO   5   8.082  10.363  -7.358
   39    HD3  PRO   5           HD1      PRO   5   8.722   8.735  -7.654
   40    H    CYS   6           HN       CYS   6   9.324  11.087  -3.940
   41    HA   CYS   6           HA       CYS   6  11.085  13.212  -3.162
   42    HB2  CYS   6           HB2      CYS   6   9.431  14.987  -3.815
   43    HB3  CYS   6           HB1      CYS   6  10.299  14.265  -5.176
   44    H    ALA   7           HN       ALA   7   9.735  11.072  -1.857
   45    HA   ALA   7           HA       ALA   7   7.525  12.473  -0.539
   46    HB1  ALA   7           HB1      ALA   7   6.887  10.382  -1.664
   47    HB2  ALA   7           HB2      ALA   7   6.642  10.289   0.081
   48    HB3  ALA   7           HB3      ALA   7   8.036   9.501  -0.657
   49    HA   PRO   8           HA       PRO   8   6.296  12.294   0.915
   50    HB2  PRO   8           HB2      PRO   8   5.482  13.119   3.282
   51    HB3  PRO   8           HB1      PRO   8   5.867  11.411   3.029
   52    HG2  PRO   8           HG2      PRO   8   7.491  13.541   4.366
   53    HG3  PRO   8           HG1      PRO   8   7.265  11.845   4.837
   54    HD2  PRO   8           HD2      PRO   8   9.441  12.876   3.397
   55    HD3  PRO   8           HD1      PRO   8   9.000  11.162   3.523
   56    H    PHE   9           HN       PHE   9   8.332  14.205   0.084
   57    HA   PHE   9           HA       PHE   9   7.019  16.698   0.923
   58    HB2  PHE   9           HB2      PHE   9  10.011  16.365   0.746
   59    HB3  PHE   9           HB1      PHE   9   9.162  17.869   1.078
   60    HD1  PHE   9           HD1      PHE   9   8.139  18.260   3.236
   61    HD2  PHE   9           HD2      PHE   9  10.191  14.643   2.394
   62    HE1  PHE   9           HE1      PHE   9   8.220  17.764   5.643
   63    HE2  PHE   9           HE2      PHE   9  10.288  14.137   4.812
   64    HZ   PHE   9           HZ       PHE   9   9.298  15.697   6.431
   65    H    CYS  10           HN       CYS  10   5.991  16.379  -1.212
   66    HA   CYS  10           HA       CYS  10   7.205  18.259  -2.982
   67    HB2  CYS  10           HB2      CYS  10   7.001  16.838  -5.037
   68    HB3  CYS  10           HB1      CYS  10   8.300  16.385  -3.952
   69    HN1  NH2  11           H1       CYS  10   5.450  19.499  -2.555
   70    HN2  NH2  11           H2       CYS  10   3.860  19.134  -3.127
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   1.244  -0.476  -4.424
    2    H2   GLY   1           HT2      GLY   1   2.244  -1.568  -3.616
    3    H3   GLY   1           HT3      GLY   1   2.756  -0.862  -5.066
    4    HA2  GLY   1           HA1      GLY   1   2.275   0.564  -2.528
    5    HA3  GLY   1           HA2      GLY   1   3.852   0.164  -3.200
    6    H    PHE   2           HN       PHE   2   3.736   2.659  -2.777
    7    HA   PHE   2           HA       PHE   2   3.267   3.896  -5.361
    8    HB2  PHE   2           HB2      PHE   2   2.314   5.029  -2.725
    9    HB3  PHE   2           HB1      PHE   2   2.385   5.931  -4.229
   10    HD1  PHE   2           HD1      PHE   2   0.486   3.645  -2.212
   11    HD2  PHE   2           HD2      PHE   2   0.943   5.185  -6.152
   12    HE1  PHE   2           HE1      PHE   2  -1.771   2.849  -2.781
   13    HE2  PHE   2           HE2      PHE   2  -1.311   4.393  -6.728
   14    HZ   PHE   2           HZ       PHE   2  -2.671   3.225  -5.042
   15    H    ARG   3           HN       ARG   3   5.401   3.925  -5.679
   16    HA   ARG   3           HA       ARG   3   7.134   5.124  -3.689
   17    HB2  ARG   3           HB2      ARG   3   7.848   3.997  -6.375
   18    HB3  ARG   3           HB1      ARG   3   8.968   4.466  -5.110
   19    HG2  ARG   3           HG2      ARG   3   8.051   2.748  -3.626
   20    HG3  ARG   3           HG1      ARG   3   6.944   2.243  -4.902
   21    HD2  ARG   3           HD2      ARG   3   9.922   2.283  -5.248
   22    HD3  ARG   3           HD1      ARG   3   9.066   0.884  -4.611
   23    HE   ARG   3           HE       ARG   3   7.747   1.275  -6.893
   24   HH11  ARG   3          HH11      ARG   3  11.184   1.183  -6.233
   25   HH12  ARG   3          HH12      ARG   3  11.610   0.679  -7.829
   26   HH21  ARG   3          HH21      ARG   3   8.312   0.629  -9.022
   27   HH22  ARG   3          HH22      ARG   3   9.974   0.363  -9.415
   28    H    SER   4           HN       SER   4   6.488   7.263  -3.734
   29    HA   SER   4           HA       SER   4   6.845   8.765  -6.192
   30    HB2  SER   4           HB2      SER   4   6.272   9.781  -3.398
   31    HB3  SER   4           HB1      SER   4   6.057  10.663  -4.908
   32    HG   SER   4           HG       SER   4   4.494   8.665  -3.758
   33    HA   PRO   5           HA       PRO   5  11.174   9.166  -5.074
   34    HB2  PRO   5           HB2      PRO   5  11.986  10.552  -7.235
   35    HB3  PRO   5           HB1      PRO   5  11.560   8.838  -7.325
   36    HG2  PRO   5           HG2      PRO   5   9.919  11.236  -8.060
   37    HG3  PRO   5           HG1      PRO   5  10.127   9.713  -8.943
   38    HD2  PRO   5           HD2      PRO   5   7.961  10.251  -7.384
   39    HD3  PRO   5           HD1      PRO   5   8.585   8.611  -7.644
   40    H    CYS   6           HN       CYS   6   9.261  11.060  -3.956
   41    HA   CYS   6           HA       CYS   6  11.104  13.129  -3.214
   42    HB2  CYS   6           HB2      CYS   6   9.476  14.960  -3.824
   43    HB3  CYS   6           HB1      CYS   6  10.332  14.240  -5.194
   44    H    ALA   7           HN       ALA   7   9.703  11.036  -1.885
   45    HA   ALA   7           HA       ALA   7   7.551  12.493  -0.536
   46    HB1  ALA   7           HB1      ALA   7   6.704  10.309   0.169
   47    HB2  ALA   7           HB2      ALA   7   8.064   9.522  -0.632
   48    HB3  ALA   7           HB3      ALA   7   6.865  10.398  -1.583
   49    HA   PRO   8           HA       PRO   8   6.323  12.247   0.914
   50    HB2  PRO   8           HB2      PRO   8   5.476  13.053   3.274
   51    HB3  PRO   8           HB1      PRO   8   5.930  11.359   3.034
   52    HG2  PRO   8           HG2      PRO   8   7.473  13.569   4.338
   53    HG3  PRO   8           HG1      PRO   8   7.299  11.876   4.844
   54    HD2  PRO   8           HD2      PRO   8   9.453  12.927   3.401
   55    HD3  PRO   8           HD1      PRO   8   9.040  11.207   3.526
   56    H    PHE   9           HN       PHE   9   8.349  14.231   0.139
   57    HA   PHE   9           HA       PHE   9   6.918  16.671   0.919
   58    HB2  PHE   9           HB2      PHE   9   9.917  16.397   0.919
   59    HB3  PHE   9           HB1      PHE   9   9.038  17.905   1.134
   60    HD1  PHE   9           HD1      PHE   9   7.882  18.376   3.197
   61    HD2  PHE   9           HD2      PHE   9   9.965  14.728   2.631
   62    HE1  PHE   9           HE1      PHE   9   7.788  17.968   5.620
   63    HE2  PHE   9           HE2      PHE   9   9.888  14.306   5.065
   64    HZ   PHE   9           HZ       PHE   9   8.795  15.928   6.558
   65    H    CYS  10           HN       CYS  10   5.974  16.383  -1.233
   66    HA   CYS  10           HA       CYS  10   7.240  18.269  -2.956
   67    HB2  CYS  10           HB2      CYS  10   7.089  16.845  -5.018
   68    HB3  CYS  10           HB1      CYS  10   8.357  16.389  -3.895
   69    HN1  NH2  11           H1       CYS  10   5.369  19.362  -2.262
   70    HN2  NH2  11           H2       CYS  10   3.842  19.069  -3.015
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1   1.146   0.113  -6.369
    2    H2   GLY   1           HT2      GLY   1   1.875  -1.026  -5.355
    3    H3   GLY   1           HT3      GLY   1   2.771  -0.287  -6.583
    4    HA2  GLY   1           HA1      GLY   1   1.616   1.099  -4.240
    5    HA3  GLY   1           HA2      GLY   1   3.305   0.643  -4.419
    6    H    PHE   2           HN       PHE   2   2.978   3.190  -3.950
    7    HA   PHE   2           HA       PHE   2   3.441   4.473  -6.529
    8    HB2  PHE   2           HB2      PHE   2   1.799   5.618  -4.261
    9    HB3  PHE   2           HB1      PHE   2   2.352   6.532  -5.654
   10    HD1  PHE   2           HD1      PHE   2  -0.106   4.202  -4.374
   11    HD2  PHE   2           HD2      PHE   2   1.429   6.022  -7.901
   12    HE1  PHE   2           HE1      PHE   2  -2.144   3.554  -5.590
   13    HE2  PHE   2           HE2      PHE   2  -0.604   5.376  -9.125
   14    HZ   PHE   2           HZ       PHE   2  -2.395   4.140  -7.969
   15    H    ARG   3           HN       ARG   3   5.610   4.254  -6.062
   16    HA   ARG   3           HA       ARG   3   6.565   5.734  -3.750
   17    HB2  ARG   3           HB2      ARG   3   7.977   3.934  -5.674
   18    HB3  ARG   3           HB1      ARG   3   8.819   4.893  -4.466
   19    HG2  ARG   3           HG2      ARG   3   7.147   3.720  -2.812
   20    HG3  ARG   3           HG1      ARG   3   7.064   2.512  -4.096
   21    HD2  ARG   3           HD2      ARG   3   9.628   3.524  -2.890
   22    HD3  ARG   3           HD1      ARG   3   8.798   2.072  -2.345
   23    HE   ARG   3           HE       ARG   3   9.086   1.422  -4.845
   24   HH11  ARG   3          HH11      ARG   3  11.382   3.207  -2.885
   25   HH12  ARG   3          HH12      ARG   3  12.771   2.555  -3.671
   26   HH21  ARG   3          HH21      ARG   3  10.949   0.526  -5.890
   27   HH22  ARG   3          HH22      ARG   3  12.526   1.018  -5.376
   28    H    SER   4           HN       SER   4   6.324   7.823  -4.256
   29    HA   SER   4           HA       SER   4   7.414   8.828  -6.728
   30    HB2  SER   4           HB2      SER   4   6.304  10.330  -4.352
   31    HB3  SER   4           HB1      SER   4   6.610  10.990  -5.958
   32    HG   SER   4           HG       SER   4   4.465   9.628  -5.041
   33    HA   PRO   5           HA       PRO   5  11.481   9.361  -4.928
   34    HB2  PRO   5           HB2      PRO   5  12.043  11.128  -7.203
   35    HB3  PRO   5           HB1      PRO   5  12.753   9.559  -6.809
   36    HG2  PRO   5           HG2      PRO   5  11.087   9.871  -8.896
   37    HG3  PRO   5           HG1      PRO   5  11.111   8.386  -7.929
   38    HD2  PRO   5           HD2      PRO   5   9.203  10.693  -7.809
   39    HD3  PRO   5           HD1      PRO   5   8.875   8.945  -7.787
   40    H    CYS   6           HN       CYS   6   9.423  11.113  -3.973
   41    HA   CYS   6           HA       CYS   6  11.038  13.305  -3.072
   42    HB2  CYS   6           HB2      CYS   6   9.382  15.018  -3.792
   43    HB3  CYS   6           HB1      CYS   6  10.289  14.307  -5.128
   44    H    ALA   7           HN       ALA   7   9.755  11.099  -1.829
   45    HA   ALA   7           HA       ALA   7   7.481  12.417  -0.539
   46    HB1  ALA   7           HB1      ALA   7   6.654  10.204   0.050
   47    HB2  ALA   7           HB2      ALA   7   8.078   9.463  -0.680
   48    HB3  ALA   7           HB3      ALA   7   6.916  10.323  -1.690
   49    HA   PRO   8           HA       PRO   8   6.273  12.312   0.902
   50    HB2  PRO   8           HB2      PRO   8   5.455  13.206   3.233
   51    HB3  PRO   8           HB1      PRO   8   5.845  11.490   3.041
   52    HG2  PRO   8           HG2      PRO   8   7.476  13.674   4.287
   53    HG3  PRO   8           HG1      PRO   8   7.230  12.007   4.846
   54    HD2  PRO   8           HD2      PRO   8   9.423  12.927   3.367
   55    HD3  PRO   8           HD1      PRO   8   8.948  11.229   3.558
   56    H    PHE   9           HN       PHE   9   8.432  14.191   0.135
   57    HA   PHE   9           HA       PHE   9   7.133  16.716   0.914
   58    HB2  PHE   9           HB2      PHE   9  10.109  16.323   0.628
   59    HB3  PHE   9           HB1      PHE   9   9.302  17.845   0.970
   60    HD1  PHE   9           HD1      PHE   9   8.420  18.310   3.165
   61    HD2  PHE   9           HD2      PHE   9  10.285  14.594   2.288
   62    HE1  PHE   9           HE1      PHE   9   8.603  17.850   5.574
   63    HE2  PHE   9           HE2      PHE   9  10.482  14.126   4.709
   64    HZ   PHE   9           HZ       PHE   9   9.638  15.753   6.348
   65    H    CYS  10           HN       CYS  10   6.018  16.364  -1.175
   66    HA   CYS  10           HA       CYS  10   7.158  18.240  -2.980
   67    HB2  CYS  10           HB2      CYS  10   6.898  16.850  -5.051
   68    HB3  CYS  10           HB1      CYS  10   8.239  16.392  -4.021
   69    HN1  NH2  11           H1       CYS  10   5.465  19.515  -2.615
   70    HN2  NH2  11           H2       CYS  10   3.841  19.139  -3.071
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   0.710   1.962   0.190
    2    H2   GLY   1           HT2      GLY   1   0.269   0.632  -0.751
    3    H3   GLY   1           HT3      GLY   1  -0.068   2.201  -1.287
    4    HA2  GLY   1           HA1      GLY   1   2.628   1.042  -0.935
    5    HA3  GLY   1           HA2      GLY   1   1.811   1.293  -2.472
    6    H    PHE   2           HN       PHE   2   4.345   2.412  -1.533
    7    HA   PHE   2           HA       PHE   2   3.651   5.227  -1.801
    8    HB2  PHE   2           HB2      PHE   2   5.675   4.094   0.138
    9    HB3  PHE   2           HB1      PHE   2   5.533   5.800  -0.273
   10    HD1  PHE   2           HD1      PHE   2   4.228   3.074   1.706
   11    HD2  PHE   2           HD2      PHE   2   3.471   7.043   0.368
   12    HE1  PHE   2           HE1      PHE   2   2.552   3.351   3.485
   13    HE2  PHE   2           HE2      PHE   2   1.794   7.325   2.145
   14    HZ   PHE   2           HZ       PHE   2   1.333   5.479   3.705
   15    H    ARG   3           HN       ARG   3   4.169   5.045  -3.930
   16    HA   ARG   3           HA       ARG   3   7.052   4.831  -4.421
   17    HB2  ARG   3           HB2      ARG   3   4.780   4.213  -6.294
   18    HB3  ARG   3           HB1      ARG   3   6.458   4.323  -6.793
   19    HG2  ARG   3           HG2      ARG   3   7.037   2.499  -5.243
   20    HG3  ARG   3           HG1      ARG   3   5.334   2.354  -4.806
   21    HD2  ARG   3           HD2      ARG   3   6.283   2.131  -7.639
   22    HD3  ARG   3           HD1      ARG   3   6.252   0.742  -6.557
   23    HE   ARG   3           HE       ARG   3   3.760   1.511  -6.308
   24   HH11  ARG   3          HH11      ARG   3   5.690   1.439  -9.235
   25   HH12  ARG   3          HH12      ARG   3   4.347   1.104 -10.267
   26   HH21  ARG   3          HH21      ARG   3   1.971   1.074  -7.675
   27   HH22  ARG   3          HH22      ARG   3   2.216   0.899  -9.377
   28    H    SER   4           HN       SER   4   7.373   6.951  -3.905
   29    HA   SER   4           HA       SER   4   6.794   8.803  -6.079
   30    HB2  SER   4           HB2      SER   4   6.273   9.471  -3.174
   31    HB3  SER   4           HB1      SER   4   6.088  10.568  -4.539
   32    HG   SER   4           HG       SER   4   4.532   8.902  -5.328
   33    HA   PRO   5           HA       PRO   5  11.180   9.118  -4.969
   34    HB2  PRO   5           HB2      PRO   5  11.428  10.702  -7.408
   35    HB3  PRO   5           HB1      PRO   5  12.133   9.132  -7.024
   36    HG2  PRO   5           HG2      PRO   5  10.170   9.427  -8.861
   37    HG3  PRO   5           HG1      PRO   5  10.333   7.970  -7.866
   38    HD2  PRO   5           HD2      PRO   5   8.472  10.293  -7.534
   39    HD3  PRO   5           HD1      PRO   5   8.154   8.552  -7.364
   40    H    CYS   6           HN       CYS   6   9.239  11.014  -3.918
   41    HA   CYS   6           HA       CYS   6  11.054  13.132  -3.269
   42    HB2  CYS   6           HB2      CYS   6   9.432  14.922  -3.922
   43    HB3  CYS   6           HB1      CYS   6  10.231  14.142  -5.288
   44    H    ALA   7           HN       ALA   7   9.747  11.065  -1.869
   45    HA   ALA   7           HA       ALA   7   7.579  12.488  -0.511
   46    HB1  ALA   7           HB1      ALA   7   6.772  10.289   0.212
   47    HB2  ALA   7           HB2      ALA   7   8.121   9.521  -0.625
   48    HB3  ALA   7           HB3      ALA   7   6.892  10.390  -1.542
   49    HA   PRO   8           HA       PRO   8   6.378  12.180   0.932
   50    HB2  PRO   8           HB2      PRO   8   5.522  12.965   3.297
   51    HB3  PRO   8           HB1      PRO   8   6.016  11.285   3.042
   52    HG2  PRO   8           HG2      PRO   8   7.497  13.515   4.376
   53    HG3  PRO   8           HG1      PRO   8   7.400  11.803   4.835
   54    HD2  PRO   8           HD2      PRO   8   9.480  13.010   3.384
   55    HD3  PRO   8           HD1      PRO   8   9.179  11.267   3.515
   56    H    PHE   9           HN       PHE   9   8.364  14.277   0.181
   57    HA   PHE   9           HA       PHE   9   6.760  16.630   0.898
   58    HB2  PHE   9           HB2      PHE   9   9.768  16.553   1.071
   59    HB3  PHE   9           HB1      PHE   9   8.777  17.995   1.247
   60    HD1  PHE   9           HD1      PHE   9   7.509  18.387   3.249
   61    HD2  PHE   9           HD2      PHE   9   9.803  14.855   2.758
   62    HE1  PHE   9           HE1      PHE   9   7.311  17.947   5.658
   63    HE2  PHE   9           HE2      PHE   9   9.623  14.402   5.185
   64    HZ   PHE   9           HZ       PHE   9   8.370  15.950   6.631
   65    H    CYS  10           HN       CYS  10   5.965  16.326  -1.311
   66    HA   CYS  10           HA       CYS  10   7.339  18.232  -2.963
   67    HB2  CYS  10           HB2      CYS  10   7.139  16.819  -5.028
   68    HB3  CYS  10           HB1      CYS  10   8.367  16.310  -3.885
   69    HN1  NH2  11           H1       CYS  10   5.639  19.565  -2.613
   70    HN2  NH2  11           H2       CYS  10   4.060  19.290  -3.256
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  -2.034   5.385  -1.546
    2    H2   GLY   1           HT2      GLY   1  -2.701   6.768  -0.850
    3    H3   GLY   1           HT3      GLY   1  -2.377   5.416   0.109
    4    HA2  GLY   1           HA1      GLY   1  -0.709   7.097   0.470
    5    HA3  GLY   1           HA2      GLY   1  -0.017   5.670  -0.287
    6    H    PHE   2           HN       PHE   2   1.550   7.646  -0.636
    7    HA   PHE   2           HA       PHE   2   1.108   8.540  -3.374
    8    HB2  PHE   2           HB2      PHE   2   2.029  10.327  -1.109
    9    HB3  PHE   2           HB1      PHE   2   2.104  10.754  -2.811
   10    HD1  PHE   2           HD1      PHE   2   0.046  10.585   0.139
   11    HD2  PHE   2           HD2      PHE   2  -0.030  11.014  -4.092
   12    HE1  PHE   2           HE1      PHE   2  -2.238  11.488   0.275
   13    HE2  PHE   2           HE2      PHE   2  -2.312  11.917  -3.965
   14    HZ   PHE   2           HZ       PHE   2  -3.420  12.156  -1.779
   15    H    ARG   3           HN       ARG   3   2.539   6.976  -3.971
   16    HA   ARG   3           HA       ARG   3   5.201   6.987  -2.833
   17    HB2  ARG   3           HB2      ARG   3   4.011   5.282  -5.000
   18    HB3  ARG   3           HB1      ARG   3   5.628   5.097  -4.352
   19    HG2  ARG   3           HG2      ARG   3   4.671   4.662  -2.117
   20    HG3  ARG   3           HG1      ARG   3   3.057   4.743  -2.825
   21    HD2  ARG   3           HD2      ARG   3   5.169   2.847  -3.810
   22    HD3  ARG   3           HD1      ARG   3   4.063   2.430  -2.504
   23    HE   ARG   3           HE       ARG   3   2.312   3.107  -4.350
   24   HH11  ARG   3          HH11      ARG   3   5.230   1.208  -4.714
   25   HH12  ARG   3          HH12      ARG   3   4.629   0.287  -6.045
   26   HH21  ARG   3          HH21      ARG   3   1.495   1.883  -6.110
   27   HH22  ARG   3          HH22      ARG   3   2.492   0.676  -6.851
   28    H    SER   4           HN       SER   4   5.976   8.957  -3.478
   29    HA   SER   4           HA       SER   4   6.609   9.175  -6.345
   30    HB2  SER   4           HB2      SER   4   6.226  11.411  -4.345
   31    HB3  SER   4           HB1      SER   4   6.644  11.613  -6.044
   32    HG   SER   4           HG       SER   4   4.550  10.202  -6.207
   33    HA   PRO   5           HA       PRO   5  10.892   9.144  -5.055
   34    HB2  PRO   5           HB2      PRO   5  12.045  10.464  -7.112
   35    HB3  PRO   5           HB1      PRO   5  11.371   8.842  -7.307
   36    HG2  PRO   5           HG2      PRO   5  10.148  11.489  -8.002
   37    HG3  PRO   5           HG1      PRO   5  10.205  10.001  -8.966
   38    HD2  PRO   5           HD2      PRO   5   8.019  10.725  -7.549
   39    HD3  PRO   5           HD1      PRO   5   8.475   9.026  -7.798
   40    H    CYS   6           HN       CYS   6   9.218  11.179  -3.962
   41    HA   CYS   6           HA       CYS   6  11.159  13.120  -3.124
   42    HB2  CYS   6           HB2      CYS   6   9.539  15.008  -3.719
   43    HB3  CYS   6           HB1      CYS   6  10.486  14.341  -5.058
   44    H    ALA   7           HN       ALA   7   9.638  11.028  -1.917
   45    HA   ALA   7           HA       ALA   7   7.508  12.491  -0.559
   46    HB1  ALA   7           HB1      ALA   7   7.973   9.513  -0.670
   47    HB2  ALA   7           HB2      ALA   7   6.844  10.408  -1.686
   48    HB3  ALA   7           HB3      ALA   7   6.587  10.326   0.056
   49    HA   PRO   8           HA       PRO   8   6.279  12.321   0.896
   50    HB2  PRO   8           HB2      PRO   8   5.468  13.140   3.259
   51    HB3  PRO   8           HB1      PRO   8   5.870  11.434   3.019
   52    HG2  PRO   8           HG2      PRO   8   7.487  13.594   4.319
   53    HG3  PRO   8           HG1      PRO   8   7.262  11.908   4.826
   54    HD2  PRO   8           HD2      PRO   8   9.433  12.905   3.359
   55    HD3  PRO   8           HD1      PRO   8   8.987  11.194   3.510
   56    H    PHE   9           HN       PHE   9   8.370  14.212   0.103
   57    HA   PHE   9           HA       PHE   9   7.087  16.724   0.948
   58    HB2  PHE   9           HB2      PHE   9  10.064  16.339   0.661
   59    HB3  PHE   9           HB1      PHE   9   9.252  17.855   1.021
   60    HD1  PHE   9           HD1      PHE   9   8.316  18.267   3.214
   61    HD2  PHE   9           HD2      PHE   9  10.294  14.620   2.300
   62    HE1  PHE   9           HE1      PHE   9   8.494  17.780   5.615
   63    HE2  PHE   9           HE2      PHE   9  10.486  14.124   4.712
   64    HZ   PHE   9           HZ       PHE   9   9.584  15.703   6.369
   65    H    CYS  10           HN       CYS  10   5.996  16.363  -1.183
   66    HA   CYS  10           HA       CYS  10   7.146  18.259  -2.938
   67    HB2  CYS  10           HB2      CYS  10   7.035  16.871  -5.010
   68    HB3  CYS  10           HB1      CYS  10   8.339  16.452  -3.916
   69    HN1  NH2  11           H1       CYS  10   5.385  19.444  -2.561
   70    HN2  NH2  11           H2       CYS  10   3.808  19.045  -3.145
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -1.093   3.299  -6.948
    2    H2   GLY   1           HT2      GLY   1  -0.872   2.287  -5.613
    3    H3   GLY   1           HT3      GLY   1  -1.002   1.623  -7.162
    4    HA2  GLY   1           HA1      GLY   1   1.281   1.611  -6.427
    5    HA3  GLY   1           HA2      GLY   1   1.057   2.656  -7.821
    6    H    PHE   2           HN       PHE   2   3.220   2.877  -6.045
    7    HA   PHE   2           HA       PHE   2   2.625   5.380  -4.651
    8    HB2  PHE   2           HB2      PHE   2   4.769   3.333  -4.026
    9    HB3  PHE   2           HB1      PHE   2   4.568   4.872  -3.205
   10    HD1  PHE   2           HD1      PHE   2   3.028   1.562  -3.781
   11    HD2  PHE   2           HD2      PHE   2   3.014   5.115  -1.441
   12    HE1  PHE   2           HE1      PHE   2   1.533   0.479  -2.157
   13    HE2  PHE   2           HE2      PHE   2   1.513   4.041   0.187
   14    HZ   PHE   2           HZ       PHE   2   0.772   1.719  -0.171
   15    H    ARG   3           HN       ARG   3   3.025   6.539  -6.511
   16    HA   ARG   3           HA       ARG   3   5.804   6.473  -7.459
   17    HB2  ARG   3           HB2      ARG   3   3.470   7.854  -8.741
   18    HB3  ARG   3           HB1      ARG   3   5.075   7.660  -9.416
   19    HG2  ARG   3           HG2      ARG   3   4.768   5.225  -9.472
   20    HG3  ARG   3           HG1      ARG   3   3.128   5.430  -8.859
   21    HD2  ARG   3           HD2      ARG   3   4.129   6.710 -11.385
   22    HD3  ARG   3           HD1      ARG   3   3.346   5.132 -11.349
   23    HE   ARG   3           HE       ARG   3   1.485   6.547 -10.165
   24   HH11  ARG   3          HH11      ARG   3   3.422   7.387 -12.960
   25   HH12  ARG   3          HH12      ARG   3   2.221   8.414 -13.656
   26   HH21  ARG   3          HH21      ARG   3  -0.123   7.922 -11.080
   27   HH22  ARG   3          HH22      ARG   3   0.189   8.717 -12.582
   28    H    SER   4           HN       SER   4   6.602   7.652  -5.635
   29    HA   SER   4           HA       SER   4   6.469  10.487  -6.157
   30    HB2  SER   4           HB2      SER   4   5.848   9.365  -3.412
   31    HB3  SER   4           HB1      SER   4   6.084  11.072  -3.787
   32    HG   SER   4           HG       SER   4   4.283  10.121  -5.483
   33    HA   PRO   5           HA       PRO   5  10.741   9.158  -5.140
   34    HB2  PRO   5           HB2      PRO   5  11.595  10.832  -7.332
   35    HB3  PRO   5           HB1      PRO   5  11.662   9.073  -7.226
   36    HG2  PRO   5           HG2      PRO   5  10.033  10.439  -8.965
   37    HG3  PRO   5           HG1      PRO   5   9.693   8.806  -8.366
   38    HD2  PRO   5           HD2      PRO   5   8.583  11.432  -7.451
   39    HD3  PRO   5           HD1      PRO   5   7.758   9.873  -7.676
   40    H    CYS   6           HN       CYS   6   9.174  11.205  -3.985
   41    HA   CYS   6           HA       CYS   6  11.172  13.092  -3.127
   42    HB2  CYS   6           HB2      CYS   6   9.547  14.998  -3.676
   43    HB3  CYS   6           HB1      CYS   6  10.481  14.345  -5.033
   44    H    ALA   7           HN       ALA   7   9.656  11.005  -1.925
   45    HA   ALA   7           HA       ALA   7   7.505  12.433  -0.569
   46    HB1  ALA   7           HB1      ALA   7   6.594  10.264   0.012
   47    HB2  ALA   7           HB2      ALA   7   8.029   9.459  -0.623
   48    HB3  ALA   7           HB3      ALA   7   6.937  10.298  -1.720
   49    HA   PRO   8           HA       PRO   8   6.288  12.323   0.882
   50    HB2  PRO   8           HB2      PRO   8   5.465  13.127   3.241
   51    HB3  PRO   8           HB1      PRO   8   5.884  11.424   3.003
   52    HG2  PRO   8           HG2      PRO   8   7.479  13.600   4.306
   53    HG3  PRO   8           HG1      PRO   8   7.268  11.913   4.814
   54    HD2  PRO   8           HD2      PRO   8   9.431  12.928   3.347
   55    HD3  PRO   8           HD1      PRO   8   9.002  11.214   3.509
   56    H    PHE   9           HN       PHE   9   8.368  14.244   0.096
   57    HA   PHE   9           HA       PHE   9   7.053  16.735   0.955
   58    HB2  PHE   9           HB2      PHE   9  10.037  16.395   0.681
   59    HB3  PHE   9           HB1      PHE   9   9.204  17.895   1.056
   60    HD1  PHE   9           HD1      PHE   9   8.309  18.292   3.259
   61    HD2  PHE   9           HD2      PHE   9  10.250  14.638   2.300
   62    HE1  PHE   9           HE1      PHE   9   8.508  17.785   5.658
   63    HE2  PHE   9           HE2      PHE   9  10.464  14.120   4.709
   64    HZ   PHE   9           HZ       PHE   9   9.588  15.696   6.385
   65    H    CYS  10           HN       CYS  10   5.994  16.371  -1.188
   66    HA   CYS  10           HA       CYS  10   7.144  18.274  -2.955
   67    HB2  CYS  10           HB2      CYS  10   7.023  16.854  -5.016
   68    HB3  CYS  10           HB1      CYS  10   8.337  16.464  -3.923
   69    HN1  NH2  11           H1       CYS  10   5.393  19.482  -2.647
   70    HN2  NH2  11           H2       CYS  10   3.809  19.059  -3.187
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  -1.863   4.919  -1.852
    2    H2   GLY   1           HT2      GLY   1  -3.026   3.990  -2.647
    3    H3   GLY   1           HT3      GLY   1  -3.193   5.669  -2.569
    4    HA2  GLY   1           HA1      GLY   1  -1.076   4.208  -4.025
    5    HA3  GLY   1           HA2      GLY   1  -2.452   5.027  -4.750
    6    H    PHE   2           HN       PHE   2   0.667   5.403  -3.272
    7    HA   PHE   2           HA       PHE   2   0.726   8.175  -4.169
    8    HB2  PHE   2           HB2      PHE   2   1.599   7.244  -1.430
    9    HB3  PHE   2           HB1      PHE   2   1.993   8.810  -2.119
   10    HD1  PHE   2           HD1      PHE   2  -0.425   6.877  -0.316
   11    HD2  PHE   2           HD2      PHE   2   0.094  10.397  -2.650
   12    HE1  PHE   2           HE1      PHE   2  -2.511   7.792   0.610
   13    HE2  PHE   2           HE2      PHE   2  -1.993  11.318  -1.728
   14    HZ   PHE   2           HZ       PHE   2  -3.297  10.015  -0.096
   15    H    ARG   3           HN       ARG   3   1.985   7.424  -5.858
   16    HA   ARG   3           HA       ARG   3   4.641   6.454  -5.113
   17    HB2  ARG   3           HB2      ARG   3   3.233   6.564  -7.754
   18    HB3  ARG   3           HB1      ARG   3   4.947   6.211  -7.612
   19    HG2  ARG   3           HG2      ARG   3   4.299   4.321  -6.053
   20    HG3  ARG   3           HG1      ARG   3   2.640   4.583  -6.597
   21    HD2  ARG   3           HD2      ARG   3   4.919   4.140  -8.499
   22    HD3  ARG   3           HD1      ARG   3   3.982   2.814  -7.823
   23    HE   ARG   3           HE       ARG   3   2.015   4.168  -8.824
   24   HH11  ARG   3          HH11      ARG   3   5.215   3.906 -10.234
   25   HH12  ARG   3          HH12      ARG   3   4.646   3.888 -11.865
   26   HH21  ARG   3          HH21      ARG   3   1.247   4.130 -10.999
   27   HH22  ARG   3          HH22      ARG   3   2.381   4.022 -12.299
   28    H    SER   4           HN       SER   4   5.575   8.302  -4.345
   29    HA   SER   4           HA       SER   4   6.130  10.317  -6.406
   30    HB2  SER   4           HB2      SER   4   5.759  10.852  -3.454
   31    HB3  SER   4           HB1      SER   4   6.087  12.054  -4.701
   32    HG   SER   4           HG       SER   4   3.956  10.572  -5.388
   33    HA   PRO   5           HA       PRO   5  10.310   9.062  -5.224
   34    HB2  PRO   5           HB2      PRO   5  11.587  10.231  -7.276
   35    HB3  PRO   5           HB1      PRO   5  10.619   8.770  -7.515
   36    HG2  PRO   5           HG2      PRO   5   9.922  11.621  -8.092
   37    HG3  PRO   5           HG1      PRO   5   9.604  10.173  -9.063
   38    HD2  PRO   5           HD2      PRO   5   7.744  11.375  -7.431
   39    HD3  PRO   5           HD1      PRO   5   7.703   9.661  -7.893
   40    H    CYS   6           HN       CYS   6   8.984  11.265  -4.018
   41    HA   CYS   6           HA       CYS   6  11.208  12.912  -3.219
   42    HB2  CYS   6           HB2      CYS   6   9.681  14.972  -3.691
   43    HB3  CYS   6           HB1      CYS   6  10.649  14.316  -5.023
   44    H    ALA   7           HN       ALA   7   9.519  10.999  -2.002
   45    HA   ALA   7           HA       ALA   7   7.550  12.571  -0.538
   46    HB1  ALA   7           HB1      ALA   7   6.757  10.513  -1.596
   47    HB2  ALA   7           HB2      ALA   7   6.622  10.417   0.160
   48    HB3  ALA   7           HB3      ALA   7   7.933   9.583  -0.670
   49    HA   PRO   8           HA       PRO   8   6.336  12.253   0.954
   50    HB2  PRO   8           HB2      PRO   8   5.562  13.013   3.363
   51    HB3  PRO   8           HB1      PRO   8   5.977  11.321   3.055
   52    HG2  PRO   8           HG2      PRO   8   7.569  13.439   4.434
   53    HG3  PRO   8           HG1      PRO   8   7.428  11.715   4.817
   54    HD2  PRO   8           HD2      PRO   8   9.506  12.934   3.355
   55    HD3  PRO   8           HD1      PRO   8   9.180  11.193   3.455
   56    H    PHE   9           HN       PHE   9   8.302  14.256   0.115
   57    HA   PHE   9           HA       PHE   9   6.852  16.664   0.943
   58    HB2  PHE   9           HB2      PHE   9   9.858  16.506   0.922
   59    HB3  PHE   9           HB1      PHE   9   8.902  17.943   1.244
   60    HD1  PHE   9           HD1      PHE   9   7.683  18.167   3.351
   61    HD2  PHE   9           HD2      PHE   9  10.145  14.805   2.537
   62    HE1  PHE   9           HE1      PHE   9   7.699  17.616   5.748
   63    HE2  PHE   9           HE2      PHE   9  10.177  14.248   4.945
   64    HZ   PHE   9           HZ       PHE   9   8.948  15.655   6.546
   65    H    CYS  10           HN       CYS  10   5.976  16.306  -1.288
   66    HA   CYS  10           HA       CYS  10   7.221  18.289  -2.911
   67    HB2  CYS  10           HB2      CYS  10   7.326  16.929  -4.988
   68    HB3  CYS  10           HB1      CYS  10   8.504  16.466  -3.772
   69    HN1  NH2  11           H1       CYS  10   5.313  19.348  -2.476
   70    HN2  NH2  11           H2       CYS  10   3.841  18.949  -3.282
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   3.088   0.344  -5.864
    2    H2   GLY   1           HT2      GLY   1   3.248  -1.064  -4.942
    3    H3   GLY   1           HT3      GLY   1   4.414   0.152  -4.835
    4    HA2  GLY   1           HA1      GLY   1   1.585   0.358  -3.976
    5    HA3  GLY   1           HA2      GLY   1   2.972   0.195  -2.912
    6    H    PHE   2           HN       PHE   2   4.638   1.935  -3.094
    7    HA   PHE   2           HA       PHE   2   3.510   4.511  -3.881
    8    HB2  PHE   2           HB2      PHE   2   4.621   3.852  -1.148
    9    HB3  PHE   2           HB1      PHE   2   4.410   5.491  -1.743
   10    HD1  PHE   2           HD1      PHE   2   2.607   2.391  -0.826
   11    HD2  PHE   2           HD2      PHE   2   2.317   6.557  -1.627
   12    HE1  PHE   2           HE1      PHE   2   0.303   2.392   0.036
   13    HE2  PHE   2           HE2      PHE   2   0.014   6.566  -0.772
   14    HZ   PHE   2           HZ       PHE   2  -0.997   4.481   0.062
   15    H    ARG   3           HN       ARG   3   5.003   4.457  -5.563
   16    HA   ARG   3           HA       ARG   3   7.774   4.799  -4.668
   17    HB2  ARG   3           HB2      ARG   3   6.791   4.041  -7.399
   18    HB3  ARG   3           HB1      ARG   3   8.470   4.286  -6.959
   19    HG2  ARG   3           HG2      ARG   3   8.205   2.452  -5.256
   20    HG3  ARG   3           HG1      ARG   3   6.639   2.105  -5.987
   21    HD2  ARG   3           HD2      ARG   3   9.228   2.145  -7.523
   22    HD3  ARG   3           HD1      ARG   3   8.549   0.691  -6.799
   23    HE   ARG   3           HE       ARG   3   6.510   1.422  -8.285
   24   HH11  ARG   3          HH11      ARG   3   9.924   1.405  -9.098
   25   HH12  ARG   3          HH12      ARG   3   9.654   1.178 -10.792
   26   HH21  ARG   3          HH21      ARG   3   6.150   1.108 -10.527
   27   HH22  ARG   3          HH22      ARG   3   7.497   1.011 -11.611
   28    H    SER   4           HN       SER   4   7.557   6.940  -4.138
   29    HA   SER   4           HA       SER   4   7.453   8.718  -6.469
   30    HB2  SER   4           HB2      SER   4   6.421   9.313  -3.687
   31    HB3  SER   4           HB1      SER   4   6.454  10.454  -5.032
   32    HG   SER   4           HG       SER   4   5.118   8.878  -6.172
   33    HA   PRO   5           HA       PRO   5  11.605   9.388  -4.921
   34    HB2  PRO   5           HB2      PRO   5  12.498  10.853  -6.985
   35    HB3  PRO   5           HB1      PRO   5  12.195   9.119  -7.143
   36    HG2  PRO   5           HG2      PRO   5  10.464  11.423  -7.966
   37    HG3  PRO   5           HG1      PRO   5  10.858   9.948  -8.867
   38    HD2  PRO   5           HD2      PRO   5   8.532  10.279  -7.496
   39    HD3  PRO   5           HD1      PRO   5   9.295   8.696  -7.743
   40    H    CYS   6           HN       CYS   6   9.454  11.078  -3.947
   41    HA   CYS   6           HA       CYS   6  11.028  13.311  -3.090
   42    HB2  CYS   6           HB2      CYS   6   9.379  15.012  -3.823
   43    HB3  CYS   6           HB1      CYS   6  10.256  14.282  -5.169
   44    H    ALA   7           HN       ALA   7   9.770  11.106  -1.817
   45    HA   ALA   7           HA       ALA   7   7.492  12.431  -0.544
   46    HB1  ALA   7           HB1      ALA   7   6.652  10.223   0.047
   47    HB2  ALA   7           HB2      ALA   7   8.066   9.477  -0.699
   48    HB3  ALA   7           HB3      ALA   7   6.903  10.353  -1.694
   49    HA   PRO   8           HA       PRO   8   6.265  12.316   0.894
   50    HB2  PRO   8           HB2      PRO   8   5.443  13.205   3.225
   51    HB3  PRO   8           HB1      PRO   8   5.828  11.488   3.035
   52    HG2  PRO   8           HG2      PRO   8   7.470  13.670   4.275
   53    HG3  PRO   8           HG1      PRO   8   7.203  12.010   4.848
   54    HD2  PRO   8           HD2      PRO   8   9.416  12.883   3.383
   55    HD3  PRO   8           HD1      PRO   8   8.905  11.193   3.557
   56    H    PHE   9           HN       PHE   9   8.446  14.196   0.145
   57    HA   PHE   9           HA       PHE   9   7.138  16.719   0.931
   58    HB2  PHE   9           HB2      PHE   9  10.111  16.317   0.648
   59    HB3  PHE   9           HB1      PHE   9   9.312  17.845   0.983
   60    HD1  PHE   9           HD1      PHE   9   8.466  18.346   3.170
   61    HD2  PHE   9           HD2      PHE   9  10.217  14.569   2.323
   62    HE1  PHE   9           HE1      PHE   9   8.624  17.892   5.582
   63    HE2  PHE   9           HE2      PHE   9  10.388  14.107   4.744
   64    HZ   PHE   9           HZ       PHE   9   9.588  15.769   6.372
   65    H    CYS  10           HN       CYS  10   6.020  16.374  -1.165
   66    HA   CYS  10           HA       CYS  10   7.152  18.242  -2.988
   67    HB2  CYS  10           HB2      CYS  10   6.917  16.828  -5.031
   68    HB3  CYS  10           HB1      CYS  10   8.244  16.376  -3.982
   69    HN1  NH2  11           H1       CYS  10   5.417  19.475  -2.571
   70    HN2  NH2  11           H2       CYS  10   3.810  19.081  -3.069
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   0.503   1.338  -0.961
    2    H2   GLY   1           HT2      GLY   1   0.416  -0.010  -1.975
    3    H3   GLY   1           HT3      GLY   1  -0.200   1.482  -2.487
    4    HA2  GLY   1           HA1      GLY   1   2.644   0.905  -1.936
    5    HA3  GLY   1           HA2      GLY   1   1.920   0.997  -3.534
    6    H    PHE   2           HN       PHE   2   4.075   2.591  -2.436
    7    HA   PHE   2           HA       PHE   2   2.889   5.238  -2.780
    8    HB2  PHE   2           HB2      PHE   2   5.025   4.515  -0.756
    9    HB3  PHE   2           HB1      PHE   2   4.486   6.145  -1.127
   10    HD1  PHE   2           HD1      PHE   2   3.735   3.052   0.637
   11    HD2  PHE   2           HD2      PHE   2   2.284   6.914  -0.396
   12    HE1  PHE   2           HE1      PHE   2   2.024   2.874   2.393
   13    HE2  PHE   2           HE2      PHE   2   0.570   6.743   1.356
   14    HZ   PHE   2           HZ       PHE   2   0.438   4.722   2.755
   15    H    ARG   3           HN       ARG   3   3.599   5.142  -4.892
   16    HA   ARG   3           HA       ARG   3   6.486   4.974  -5.311
   17    HB2  ARG   3           HB2      ARG   3   4.345   5.226  -7.397
   18    HB3  ARG   3           HB1      ARG   3   6.029   4.822  -7.665
   19    HG2  ARG   3           HG2      ARG   3   5.652   2.752  -6.254
   20    HG3  ARG   3           HG1      ARG   3   3.929   3.107  -6.357
   21    HD2  ARG   3           HD2      ARG   3   5.736   2.723  -8.745
   22    HD3  ARG   3           HD1      ARG   3   4.748   1.449  -8.040
   23    HE   ARG   3           HE       ARG   3   2.883   3.250  -8.551
   24   HH11  ARG   3          HH11      ARG   3   5.508   2.091 -10.567
   25   HH12  ARG   3          HH12      ARG   3   4.722   2.483 -12.056
   26   HH21  ARG   3          HH21      ARG   3   1.828   3.779 -10.527
   27   HH22  ARG   3          HH22      ARG   3   2.612   3.449 -12.031
   28    H    SER   4           HN       SER   4   7.071   6.967  -4.410
   29    HA   SER   4           HA       SER   4   6.685   9.202  -6.233
   30    HB2  SER   4           HB2      SER   4   6.118   9.401  -3.266
   31    HB3  SER   4           HB1      SER   4   6.130  10.755  -4.397
   32    HG   SER   4           HG       SER   4   4.531   9.162  -5.532
   33    HA   PRO   5           HA       PRO   5  11.046   9.131  -5.084
   34    HB2  PRO   5           HB2      PRO   5  11.969  10.476  -7.199
   35    HB3  PRO   5           HB1      PRO   5  11.369   8.821  -7.361
   36    HG2  PRO   5           HG2      PRO   5   9.996  11.401  -8.005
   37    HG3  PRO   5           HG1      PRO   5  10.036   9.894  -8.938
   38    HD2  PRO   5           HD2      PRO   5   7.959  10.642  -7.302
   39    HD3  PRO   5           HD1      PRO   5   8.340   8.959  -7.717
   40    H    CYS   6           HN       CYS   6   9.210  11.095  -3.961
   41    HA   CYS   6           HA       CYS   6  11.124  13.103  -3.209
   42    HB2  CYS   6           HB2      CYS   6   9.500  14.962  -3.801
   43    HB3  CYS   6           HB1      CYS   6  10.380  14.256  -5.163
   44    H    ALA   7           HN       ALA   7   9.698  11.044  -1.890
   45    HA   ALA   7           HA       ALA   7   7.558  12.514  -0.552
   46    HB1  ALA   7           HB1      ALA   7   6.851  10.447  -1.625
   47    HB2  ALA   7           HB2      ALA   7   6.680  10.334   0.127
   48    HB3  ALA   7           HB3      ALA   7   8.031   9.541  -0.681
   49    HA   PRO   8           HA       PRO   8   6.311  12.269   0.896
   50    HB2  PRO   8           HB2      PRO   8   5.463  13.060   3.259
   51    HB3  PRO   8           HB1      PRO   8   5.908  11.365   3.010
   52    HG2  PRO   8           HG2      PRO   8   7.457  13.557   4.339
   53    HG3  PRO   8           HG1      PRO   8   7.282  11.859   4.824
   54    HD2  PRO   8           HD2      PRO   8   9.431  12.939   3.386
   55    HD3  PRO   8           HD1      PRO   8   9.037  11.213   3.512
   56    H    PHE   9           HN       PHE   9   8.341  14.235   0.129
   57    HA   PHE   9           HA       PHE   9   6.953  16.695   0.940
   58    HB2  PHE   9           HB2      PHE   9   9.954  16.411   0.830
   59    HB3  PHE   9           HB1      PHE   9   9.077  17.903   1.129
   60    HD1  PHE   9           HD1      PHE   9   7.995  18.292   3.263
   61    HD2  PHE   9           HD2      PHE   9  10.139  14.712   2.491
   62    HE1  PHE   9           HE1      PHE   9   8.047  17.824   5.676
   63    HE2  PHE   9           HE2      PHE   9  10.207  14.231   4.916
   64    HZ   PHE   9           HZ       PHE   9   9.155  15.789   6.506
   65    H    CYS  10           HN       CYS  10   5.985  16.371  -1.218
   66    HA   CYS  10           HA       CYS  10   7.222  18.257  -2.951
   67    HB2  CYS  10           HB2      CYS  10   7.101  16.844  -5.011
   68    HB3  CYS  10           HB1      CYS  10   8.365  16.389  -3.883
   69    HN1  NH2  11           H1       CYS  10   5.357  19.327  -2.255
   70    HN2  NH2  11           H2       CYS  10   3.828  19.015  -2.995
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  -2.762   5.654  -3.482
    2    H2   GLY   1           HT2      GLY   1  -2.813   3.980  -3.274
    3    H3   GLY   1           HT3      GLY   1  -2.075   4.643  -4.643
    4    HA2  GLY   1           HA1      GLY   1  -1.138   4.938  -1.851
    5    HA3  GLY   1           HA2      GLY   1  -0.414   3.906  -3.077
    6    H    PHE   2           HN       PHE   2   1.284   5.596  -1.983
    7    HA   PHE   2           HA       PHE   2   1.674   7.639  -4.024
    8    HB2  PHE   2           HB2      PHE   2   1.771   8.103  -1.044
    9    HB3  PHE   2           HB1      PHE   2   2.562   9.165  -2.199
   10    HD1  PHE   2           HD1      PHE   2  -0.595   8.130  -0.734
   11    HD2  PHE   2           HD2      PHE   2   1.228  10.533  -3.732
   12    HE1  PHE   2           HE1      PHE   2  -2.687   9.399  -0.984
   13    HE2  PHE   2           HE2      PHE   2  -0.861  11.804  -3.990
   14    HZ   PHE   2           HZ       PHE   2  -2.822  11.238  -2.613
   15    H    ARG   3           HN       ARG   3   3.227   6.252  -4.871
   16    HA   ARG   3           HA       ARG   3   5.694   6.222  -3.283
   17    HB2  ARG   3           HB2      ARG   3   4.945   4.468  -5.616
   18    HB3  ARG   3           HB1      ARG   3   6.520   4.468  -4.840
   19    HG2  ARG   3           HG2      ARG   3   5.322   3.914  -2.673
   20    HG3  ARG   3           HG1      ARG   3   3.894   3.603  -3.654
   21    HD2  ARG   3           HD2      ARG   3   6.543   2.243  -4.097
   22    HD3  ARG   3           HD1      ARG   3   5.290   1.591  -3.049
   23    HE   ARG   3           HE       ARG   3   3.938   1.878  -5.319
   24   HH11  ARG   3          HH11      ARG   3   7.118   0.526  -4.722
   25   HH12  ARG   3          HH12      ARG   3   7.047  -0.566  -6.061
   26   HH21  ARG   3          HH21      ARG   3   3.850   0.424  -7.111
   27   HH22  ARG   3          HH22      ARG   3   5.197  -0.626  -7.418
   28    H    SER   4           HN       SER   4   6.288   8.276  -3.735
   29    HA   SER   4           HA       SER   4   6.988   8.831  -6.538
   30    HB2  SER   4           HB2      SER   4   6.278  10.892  -4.445
   31    HB3  SER   4           HB1      SER   4   6.471  11.145  -6.180
   32    HG   SER   4           HG       SER   4   4.672   9.290  -5.982
   33    HA   PRO   5           HA       PRO   5  11.134   9.170  -4.969
   34    HB2  PRO   5           HB2      PRO   5  12.284  10.526  -6.996
   35    HB3  PRO   5           HB1      PRO   5  11.761   8.847  -7.169
   36    HG2  PRO   5           HG2      PRO   5  10.370  11.355  -8.029
   37    HG3  PRO   5           HG1      PRO   5  10.596   9.840  -8.921
   38    HD2  PRO   5           HD2      PRO   5   8.288  10.454  -7.641
   39    HD3  PRO   5           HD1      PRO   5   8.870   8.787  -7.820
   40    H    CYS   6           HN       CYS   6   9.282  11.116  -3.971
   41    HA   CYS   6           HA       CYS   6  11.119  13.158  -3.120
   42    HB2  CYS   6           HB2      CYS   6   9.502  14.993  -3.774
   43    HB3  CYS   6           HB1      CYS   6  10.418  14.293  -5.115
   44    H    ALA   7           HN       ALA   7   9.666  11.038  -1.893
   45    HA   ALA   7           HA       ALA   7   7.518  12.493  -0.554
   46    HB1  ALA   7           HB1      ALA   7   6.585  10.343   0.064
   47    HB2  ALA   7           HB2      ALA   7   7.979   9.515  -0.623
   48    HB3  ALA   7           HB3      ALA   7   6.867  10.390  -1.677
   49    HA   PRO   8           HA       PRO   8   6.296  12.314   0.895
   50    HB2  PRO   8           HB2      PRO   8   5.479  13.111   3.268
   51    HB3  PRO   8           HB1      PRO   8   5.878  11.406   3.007
   52    HG2  PRO   8           HG2      PRO   8   7.494  13.545   4.340
   53    HG3  PRO   8           HG1      PRO   8   7.268  11.851   4.815
   54    HD2  PRO   8           HD2      PRO   8   9.442  12.873   3.375
   55    HD3  PRO   8           HD1      PRO   8   8.994  11.160   3.496
   56    H    PHE   9           HN       PHE   9   8.331  14.218   0.074
   57    HA   PHE   9           HA       PHE   9   7.053  16.713   0.963
   58    HB2  PHE   9           HB2      PHE   9  10.036  16.345   0.698
   59    HB3  PHE   9           HB1      PHE   9   9.217  17.849   1.080
   60    HD1  PHE   9           HD1      PHE   9   8.248  18.203   3.281
   61    HD2  PHE   9           HD2      PHE   9  10.299  14.613   2.317
   62    HE1  PHE   9           HE1      PHE   9   8.438  17.685   5.677
   63    HE2  PHE   9           HE2      PHE   9  10.505  14.084   4.722
   64    HZ   PHE   9           HZ       PHE   9   9.570  15.621   6.400
   65    H    CYS  10           HN       CYS  10   5.990  16.368  -1.199
   66    HA   CYS  10           HA       CYS  10   7.169  18.269  -2.956
   67    HB2  CYS  10           HB2      CYS  10   7.062  16.867  -5.024
   68    HB3  CYS  10           HB1      CYS  10   8.339  16.420  -3.912
   69    HN1  NH2  11           H1       CYS  10   5.304  19.346  -2.304
   70    HN2  NH2  11           H2       CYS  10   3.767  18.992  -3.010
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   1.105   1.336  -1.017
    2    H2   GLY   1           HT2      GLY   1   1.328  -0.188  -1.708
    3    H3   GLY   1           HT3      GLY   1   0.622   1.055  -2.607
    4    HA2  GLY   1           HA1      GLY   1   3.398   1.043  -1.612
    5    HA3  GLY   1           HA2      GLY   1   2.912   0.686  -3.264
    6    H    PHE   2           HN       PHE   2   4.676   2.770  -2.436
    7    HA   PHE   2           HA       PHE   2   3.274   5.016  -3.606
    8    HB2  PHE   2           HB2      PHE   2   4.611   5.129  -0.905
    9    HB3  PHE   2           HB1      PHE   2   4.367   6.563  -1.894
   10    HD1  PHE   2           HD1      PHE   2   2.869   4.226   0.392
   11    HD2  PHE   2           HD2      PHE   2   2.029   7.243  -2.485
   12    HE1  PHE   2           HE1      PHE   2   0.598   4.455   1.302
   13    HE2  PHE   2           HE2      PHE   2  -0.245   7.479  -1.580
   14    HZ   PHE   2           HZ       PHE   2  -0.964   6.083   0.318
   15    H    ARG   3           HN       ARG   3   4.523   4.631  -5.375
   16    HA   ARG   3           HA       ARG   3   7.405   4.829  -5.135
   17    HB2  ARG   3           HB2      ARG   3   5.650   4.499  -7.560
   18    HB3  ARG   3           HB1      ARG   3   7.403   4.548  -7.602
   19    HG2  ARG   3           HG2      ARG   3   7.444   2.561  -6.095
   20    HG3  ARG   3           HG1      ARG   3   5.692   2.460  -6.265
   21    HD2  ARG   3           HD2      ARG   3   7.554   2.444  -8.625
   22    HD3  ARG   3           HD1      ARG   3   7.095   0.971  -7.776
   23    HE   ARG   3           HE       ARG   3   4.705   1.909  -8.331
   24   HH11  ARG   3          HH11      ARG   3   7.538   1.870 -10.401
   25   HH12  ARG   3          HH12      ARG   3   6.629   1.705 -11.863
   26   HH21  ARG   3          HH21      ARG   3   3.496   1.688 -10.271
   27   HH22  ARG   3          HH22      ARG   3   4.323   1.621 -11.792
   28    H    SER   4           HN       SER   4   7.690   6.904  -4.407
   29    HA   SER   4           HA       SER   4   7.392   8.959  -6.457
   30    HB2  SER   4           HB2      SER   4   6.523   9.333  -3.581
   31    HB3  SER   4           HB1      SER   4   6.525  10.579  -4.829
   32    HG   SER   4           HG       SER   4   5.147   8.855  -5.971
   33    HA   PRO   5           HA       PRO   5  11.583   9.363  -4.861
   34    HB2  PRO   5           HB2      PRO   5  12.571  10.791  -6.902
   35    HB3  PRO   5           HB1      PRO   5  12.194   9.072  -7.081
   36    HG2  PRO   5           HG2      PRO   5  10.603  11.458  -7.940
   37    HG3  PRO   5           HG1      PRO   5  10.923   9.952  -8.820
   38    HD2  PRO   5           HD2      PRO   5   8.603  10.460  -7.451
   39    HD3  PRO   5           HD1      PRO   5   9.238   8.829  -7.750
   40    H    CYS   6           HN       CYS   6   9.442  11.095  -3.949
   41    HA   CYS   6           HA       CYS   6  11.032  13.308  -3.062
   42    HB2  CYS   6           HB2      CYS   6   9.401  15.022  -3.823
   43    HB3  CYS   6           HB1      CYS   6  10.303  14.289  -5.151
   44    H    ALA   7           HN       ALA   7   9.728  11.107  -1.831
   45    HA   ALA   7           HA       ALA   7   7.492  12.468  -0.521
   46    HB1  ALA   7           HB1      ALA   7   6.847  10.404  -1.691
   47    HB2  ALA   7           HB2      ALA   7   6.602  10.274   0.051
   48    HB3  ALA   7           HB3      ALA   7   7.994   9.499  -0.704
   49    HA   PRO   8           HA       PRO   8   6.285  12.317   0.939
   50    HB2  PRO   8           HB2      PRO   8   5.519  13.166   3.311
   51    HB3  PRO   8           HB1      PRO   8   5.882  11.451   3.066
   52    HG2  PRO   8           HG2      PRO   8   7.553  13.573   4.359
   53    HG3  PRO   8           HG1      PRO   8   7.313  11.884   4.849
   54    HD2  PRO   8           HD2      PRO   8   9.474  12.878   3.356
   55    HD3  PRO   8           HD1      PRO   8   9.023  11.171   3.519
   56    H    PHE   9           HN       PHE   9   8.321  14.182   0.043
   57    HA   PHE   9           HA       PHE   9   7.099  16.706   0.913
   58    HB2  PHE   9           HB2      PHE   9  10.074  16.283   0.653
   59    HB3  PHE   9           HB1      PHE   9   9.283  17.816   0.988
   60    HD1  PHE   9           HD1      PHE   9   8.277  18.239   3.162
   61    HD2  PHE   9           HD2      PHE   9  10.301  14.603   2.321
   62    HE1  PHE   9           HE1      PHE   9   8.412  17.773   5.573
   63    HE2  PHE   9           HE2      PHE   9  10.452  14.128   4.741
   64    HZ   PHE   9           HZ       PHE   9   9.502  15.714   6.365
   65    H    CYS  10           HN       CYS  10   6.001  16.381  -1.202
   66    HA   CYS  10           HA       CYS  10   7.178  18.252  -2.988
   67    HB2  CYS  10           HB2      CYS  10   6.961  16.862  -5.054
   68    HB3  CYS  10           HB1      CYS  10   8.270  16.390  -3.990
   69    HN1  NH2  11           H1       CYS  10   5.352  19.333  -2.213
   70    HN2  NH2  11           H2       CYS  10   3.798  19.053  -2.913
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -2.807   4.541  -5.231
    2    H2   GLY   1           HT2      GLY   1  -2.737   3.120  -6.147
    3    H3   GLY   1           HT3      GLY   1  -2.476   4.619  -6.882
    4    HA2  GLY   1           HA1      GLY   1  -0.740   3.402  -4.824
    5    HA3  GLY   1           HA2      GLY   1  -0.400   3.440  -6.549
    6    H    PHE   2           HN       PHE   2   1.426   4.511  -4.861
    7    HA   PHE   2           HA       PHE   2   1.301   7.316  -5.584
    8    HB2  PHE   2           HB2      PHE   2   1.743   6.352  -2.751
    9    HB3  PHE   2           HB1      PHE   2   2.196   7.957  -3.305
   10    HD1  PHE   2           HD1      PHE   2  -0.446   5.866  -2.083
   11    HD2  PHE   2           HD2      PHE   2   0.385   9.496  -4.133
   12    HE1  PHE   2           HE1      PHE   2  -2.714   6.669  -1.568
   13    HE2  PHE   2           HE2      PHE   2  -1.883  10.308  -3.624
   14    HZ   PHE   2           HZ       PHE   2  -3.434   8.895  -2.339
   15    H    ARG   3           HN       ARG   3   2.890   6.755  -7.085
   16    HA   ARG   3           HA       ARG   3   5.474   6.017  -5.937
   17    HB2  ARG   3           HB2      ARG   3   4.517   6.087  -8.782
   18    HB3  ARG   3           HB1      ARG   3   6.210   5.900  -8.361
   19    HG2  ARG   3           HG2      ARG   3   5.518   3.886  -6.983
   20    HG3  ARG   3           HG1      ARG   3   3.947   4.007  -7.779
   21    HD2  ARG   3           HD2      ARG   3   6.527   3.862  -9.312
   22    HD3  ARG   3           HD1      ARG   3   5.650   2.420  -8.814
   23    HE   ARG   3           HE       ARG   3   3.727   3.616 -10.090
   24   HH11  ARG   3          HH11      ARG   3   7.114   3.635 -11.006
   25   HH12  ARG   3          HH12      ARG   3   6.794   3.599 -12.701
   26   HH21  ARG   3          HH21      ARG   3   3.292   3.581 -12.340
   27   HH22  ARG   3          HH22      ARG   3   4.600   3.591 -13.465
   28    H    SER   4           HN       SER   4   5.982   7.932  -4.954
   29    HA   SER   4           HA       SER   4   6.630  10.122  -6.797
   30    HB2  SER   4           HB2      SER   4   5.804  10.406  -3.904
   31    HB3  SER   4           HB1      SER   4   6.099  11.711  -5.055
   32    HG   SER   4           HG       SER   4   4.326  10.219  -6.216
   33    HA   PRO   5           HA       PRO   5  10.653   9.032  -5.022
   34    HB2  PRO   5           HB2      PRO   5  12.148  10.183  -6.926
   35    HB3  PRO   5           HB1      PRO   5  11.284   8.673  -7.233
   36    HG2  PRO   5           HG2      PRO   5  10.532  11.470  -7.996
   37    HG3  PRO   5           HG1      PRO   5  10.449   9.986  -8.964
   38    HD2  PRO   5           HD2      PRO   5   8.296  11.081  -7.681
   39    HD3  PRO   5           HD1      PRO   5   8.450   9.350  -8.039
   40    H    CYS   6           HN       CYS   6   9.097  11.232  -4.071
   41    HA   CYS   6           HA       CYS   6  11.178  13.023  -3.157
   42    HB2  CYS   6           HB2      CYS   6   9.639  14.988  -3.757
   43    HB3  CYS   6           HB1      CYS   6  10.602  14.296  -5.072
   44    H    ALA   7           HN       ALA   7   9.526  11.033  -1.981
   45    HA   ALA   7           HA       ALA   7   7.520  12.601  -0.549
   46    HB1  ALA   7           HB1      ALA   7   6.568  10.441   0.119
   47    HB2  ALA   7           HB2      ALA   7   7.877   9.607  -0.717
   48    HB3  ALA   7           HB3      ALA   7   6.712  10.558  -1.635
   49    HA   PRO   8           HA       PRO   8   6.299  12.267   0.986
   50    HB2  PRO   8           HB2      PRO   8   5.579  13.067   3.398
   51    HB3  PRO   8           HB1      PRO   8   5.983  11.369   3.112
   52    HG2  PRO   8           HG2      PRO   8   7.631  13.520   4.384
   53    HG3  PRO   8           HG1      PRO   8   7.460  11.817   4.852
   54    HD2  PRO   8           HD2      PRO   8   9.544  12.893   3.322
   55    HD3  PRO   8           HD1      PRO   8   9.135  11.172   3.445
   56    H    PHE   9           HN       PHE   9   8.359  14.241   0.173
   57    HA   PHE   9           HA       PHE   9   6.923  16.684   0.942
   58    HB2  PHE   9           HB2      PHE   9   9.928  16.456   0.905
   59    HB3  PHE   9           HB1      PHE   9   9.014  17.933   1.173
   60    HD1  PHE   9           HD1      PHE   9   7.892  18.331   3.275
   61    HD2  PHE   9           HD2      PHE   9  10.068  14.753   2.578
   62    HE1  PHE   9           HE1      PHE   9   7.879  17.871   5.692
   63    HE2  PHE   9           HE2      PHE   9  10.072  14.283   5.008
   64    HZ   PHE   9           HZ       PHE   9   8.972  15.845   6.561
   65    H    CYS  10           HN       CYS  10   6.007  16.289  -1.256
   66    HA   CYS  10           HA       CYS  10   7.197  18.254  -2.925
   67    HB2  CYS  10           HB2      CYS  10   7.266  16.907  -5.003
   68    HB3  CYS  10           HB1      CYS  10   8.462  16.421  -3.818
   69    HN1  NH2  11           H1       CYS  10   5.345  19.353  -2.520
   70    HN2  NH2  11           H2       CYS  10   3.817  18.920  -3.198
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   1.623   1.350  -1.651
    2    H2   GLY   1           HT2      GLY   1   1.087  -0.157  -2.170
    3    H3   GLY   1           HT3      GLY   1   0.162   1.216  -2.485
    4    HA2  GLY   1           HA1      GLY   1   2.839   0.630  -3.596
    5    HA3  GLY   1           HA2      GLY   1   1.318   0.508  -4.469
    6    H    PHE   2           HN       PHE   2   3.294   2.807  -2.625
    7    HA   PHE   2           HA       PHE   2   2.723   4.836  -4.631
    8    HB2  PHE   2           HB2      PHE   2   2.388   5.308  -1.660
    9    HB3  PHE   2           HB1      PHE   2   2.351   6.555  -2.899
   10    HD1  PHE   2           HD1      PHE   2   0.453   4.151  -1.055
   11    HD2  PHE   2           HD2      PHE   2   0.501   6.429  -4.646
   12    HE1  PHE   2           HE1      PHE   2  -1.970   3.811  -1.295
   13    HE2  PHE   2           HE2      PHE   2  -1.926   6.096  -4.891
   14    HZ   PHE   2           HZ       PHE   2  -3.163   4.785  -3.215
   15    H    ARG   3           HN       ARG   3   4.834   4.512  -5.265
   16    HA   ARG   3           HA       ARG   3   6.840   5.389  -3.310
   17    HB2  ARG   3           HB2      ARG   3   7.274   3.752  -5.790
   18    HB3  ARG   3           HB1      ARG   3   8.513   4.235  -4.646
   19    HG2  ARG   3           HG2      ARG   3   7.385   2.956  -2.874
   20    HG3  ARG   3           HG1      ARG   3   6.184   2.416  -4.045
   21    HD2  ARG   3           HD2      ARG   3   9.131   1.954  -4.381
   22    HD3  ARG   3           HD1      ARG   3   8.076   0.818  -3.544
   23    HE   ARG   3           HE       ARG   3   6.789   0.991  -5.828
   24   HH11  ARG   3          HH11      ARG   3  10.245   0.753  -5.285
   25   HH12  ARG   3          HH12      ARG   3  10.564  -0.040  -6.788
   26   HH21  ARG   3          HH21      ARG   3   7.205  -0.067  -7.831
   27   HH22  ARG   3          HH22      ARG   3   8.823  -0.517  -8.235
   28    H    SER   4           HN       SER   4   6.475   7.575  -3.698
   29    HA   SER   4           HA       SER   4   7.224   8.569  -6.340
   30    HB2  SER   4           HB2      SER   4   6.237  10.072  -3.907
   31    HB3  SER   4           HB1      SER   4   6.461  10.744  -5.523
   32    HG   SER   4           HG       SER   4   4.476   9.061  -4.539
   33    HA   PRO   5           HA       PRO   5  11.365   9.188  -4.829
   34    HB2  PRO   5           HB2      PRO   5  12.366  10.509  -6.953
   35    HB3  PRO   5           HB1      PRO   5  11.977   8.787  -7.021
   36    HG2  PRO   5           HG2      PRO   5  10.394  11.127  -8.009
   37    HG3  PRO   5           HG1      PRO   5  10.698   9.570  -8.800
   38    HD2  PRO   5           HD2      PRO   5   8.384  10.148  -7.481
   39    HD3  PRO   5           HD1      PRO   5   9.043   8.505  -7.618
   40    H    CYS   6           HN       CYS   6   9.337  11.063  -3.942
   41    HA   CYS   6           HA       CYS   6  11.064  13.226  -3.154
   42    HB2  CYS   6           HB2      CYS   6   9.437  14.976  -3.883
   43    HB3  CYS   6           HB1      CYS   6  10.291  14.213  -5.225
   44    H    ALA   7           HN       ALA   7   9.732  11.097  -1.850
   45    HA   ALA   7           HA       ALA   7   7.524  12.494  -0.530
   46    HB1  ALA   7           HB1      ALA   7   8.025   9.522  -0.688
   47    HB2  ALA   7           HB2      ALA   7   6.860  10.419  -1.662
   48    HB3  ALA   7           HB3      ALA   7   6.645  10.302   0.085
   49    HA   PRO   8           HA       PRO   8   6.304  12.283   0.928
   50    HB2  PRO   8           HB2      PRO   8   5.502  13.100   3.294
   51    HB3  PRO   8           HB1      PRO   8   5.929  11.399   3.058
   52    HG2  PRO   8           HG2      PRO   8   7.527  13.592   4.328
   53    HG3  PRO   8           HG1      PRO   8   7.327  11.907   4.854
   54    HD2  PRO   8           HD2      PRO   8   9.478  12.907   3.367
   55    HD3  PRO   8           HD1      PRO   8   9.040  11.197   3.520
   56    H    PHE   9           HN       PHE   9   8.329  14.218   0.085
   57    HA   PHE   9           HA       PHE   9   6.966  16.681   0.911
   58    HB2  PHE   9           HB2      PHE   9   9.960  16.365   0.851
   59    HB3  PHE   9           HB1      PHE   9   9.109  17.887   1.077
   60    HD1  PHE   9           HD1      PHE   9   8.022  18.391   3.175
   61    HD2  PHE   9           HD2      PHE   9  10.028  14.701   2.568
   62    HE1  PHE   9           HE1      PHE   9   8.002  18.002   5.602
   63    HE2  PHE   9           HE2      PHE   9  10.025  14.300   5.010
   64    HZ   PHE   9           HZ       PHE   9   9.007  15.951   6.524
   65    H    CYS  10           HN       CYS  10   5.993  16.354  -1.237
   66    HA   CYS  10           HA       CYS  10   7.223  18.250  -2.974
   67    HB2  CYS  10           HB2      CYS  10   7.045  16.844  -5.036
   68    HB3  CYS  10           HB1      CYS  10   8.316  16.358  -3.933
   69    HN1  NH2  11           H1       CYS  10   5.536  19.556  -2.767
   70    HN2  NH2  11           H2       CYS  10   3.919  19.171  -3.242
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  -1.074   2.265  -2.514
    2    H2   GLY   1           HT2      GLY   1  -0.402   0.830  -1.925
    3    H3   GLY   1           HT3      GLY   1  -0.199   1.257  -3.549
    4    HA2  GLY   1           HA1      GLY   1   0.883   2.752  -1.239
    5    HA3  GLY   1           HA2      GLY   1   1.808   1.663  -2.261
    6    H    PHE   2           HN       PHE   2   2.557   4.298  -1.934
    7    HA   PHE   2           HA       PHE   2   2.220   5.329  -4.636
    8    HB2  PHE   2           HB2      PHE   2   1.964   7.057  -2.159
    9    HB3  PHE   2           HB1      PHE   2   1.928   7.618  -3.821
   10    HD1  PHE   2           HD1      PHE   2   0.027   6.308  -1.075
   11    HD2  PHE   2           HD2      PHE   2  -0.006   6.950  -5.279
   12    HE1  PHE   2           HE1      PHE   2  -2.417   6.057  -1.087
   13    HE2  PHE   2           HE2      PHE   2  -2.455   6.702  -5.300
   14    HZ   PHE   2           HZ       PHE   2  -3.663   6.255  -3.203
   15    H    ARG   3           HN       ARG   3   4.322   4.614  -4.970
   16    HA   ARG   3           HA       ARG   3   6.411   5.661  -3.251
   17    HB2  ARG   3           HB2      ARG   3   6.515   3.864  -5.646
   18    HB3  ARG   3           HB1      ARG   3   7.952   4.470  -4.846
   19    HG2  ARG   3           HG2      ARG   3   7.100   3.436  -2.719
   20    HG3  ARG   3           HG1      ARG   3   5.861   2.642  -3.693
   21    HD2  ARG   3           HD2      ARG   3   8.804   2.411  -4.270
   22    HD3  ARG   3           HD1      ARG   3   7.948   1.293  -3.213
   23    HE   ARG   3           HE       ARG   3   6.459   1.061  -5.355
   24   HH11  ARG   3          HH11      ARG   3   9.956   1.293  -5.190
   25   HH12  ARG   3          HH12      ARG   3  10.210   0.344  -6.613
   26   HH21  ARG   3          HH21      ARG   3   6.808  -0.206  -7.237
   27   HH22  ARG   3          HH22      ARG   3   8.423  -0.520  -7.767
   28    H    SER   4           HN       SER   4   6.282   7.833  -3.606
   29    HA   SER   4           HA       SER   4   6.963   8.773  -6.285
   30    HB2  SER   4           HB2      SER   4   6.100  10.314  -3.830
   31    HB3  SER   4           HB1      SER   4   6.358  10.996  -5.435
   32    HG   SER   4           HG       SER   4   4.167   9.852  -4.450
   33    HA   PRO   5           HA       PRO   5  11.171   9.148  -4.874
   34    HB2  PRO   5           HB2      PRO   5  12.183  10.447  -7.007
   35    HB3  PRO   5           HB1      PRO   5  11.711   8.746  -7.080
   36    HG2  PRO   5           HG2      PRO   5  10.209  11.166  -7.994
   37    HG3  PRO   5           HG1      PRO   5  10.429   9.611  -8.818
   38    HD2  PRO   5           HD2      PRO   5   8.174  10.252  -7.449
   39    HD3  PRO   5           HD1      PRO   5   8.774   8.588  -7.595
   40    H    CYS   6           HN       CYS   6   9.281  11.109  -3.926
   41    HA   CYS   6           HA       CYS   6  11.119  13.169  -3.139
   42    HB2  CYS   6           HB2      CYS   6   9.510  14.992  -3.822
   43    HB3  CYS   6           HB1      CYS   6  10.396  14.252  -5.163
   44    H    ALA   7           HN       ALA   7   9.693  11.077  -1.871
   45    HA   ALA   7           HA       ALA   7   7.536  12.538  -0.545
   46    HB1  ALA   7           HB1      ALA   7   6.819  10.509  -1.718
   47    HB2  ALA   7           HB2      ALA   7   6.565  10.385   0.022
   48    HB3  ALA   7           HB3      ALA   7   7.928   9.557  -0.730
   49    HA   PRO   8           HA       PRO   8   6.291  12.324   0.895
   50    HB2  PRO   8           HB2      PRO   8   5.484  13.134   3.269
   51    HB3  PRO   8           HB1      PRO   8   5.842  11.423   2.994
   52    HG2  PRO   8           HG2      PRO   8   7.486  13.503   4.379
   53    HG3  PRO   8           HG1      PRO   8   7.252  11.797   4.803
   54    HD2  PRO   8           HD2      PRO   8   9.426  12.871   3.374
   55    HD3  PRO   8           HD1      PRO   8   9.004  11.152   3.495
   56    H    PHE   9           HN       PHE   9   8.352  14.225   0.081
   57    HA   PHE   9           HA       PHE   9   7.043  16.712   0.947
   58    HB2  PHE   9           HB2      PHE   9  10.034  16.396   0.709
   59    HB3  PHE   9           HB1      PHE   9   9.172  17.874   1.105
   60    HD1  PHE   9           HD1      PHE   9   8.152  18.165   3.295
   61    HD2  PHE   9           HD2      PHE   9  10.335  14.657   2.306
   62    HE1  PHE   9           HE1      PHE   9   8.312  17.607   5.683
   63    HE2  PHE   9           HE2      PHE   9  10.512  14.091   4.706
   64    HZ   PHE   9           HZ       PHE   9   9.495  15.567   6.392
   65    H    CYS  10           HN       CYS  10   6.004  16.352  -1.203
   66    HA   CYS  10           HA       CYS  10   7.163  18.261  -2.963
   67    HB2  CYS  10           HB2      CYS  10   7.051  16.842  -5.021
   68    HB3  CYS  10           HB1      CYS  10   8.339  16.411  -3.909
   69    HN1  NH2  11           H1       CYS  10   5.367  19.452  -2.588
   70    HN2  NH2  11           H2       CYS  10   3.793  19.024  -3.157
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  -2.367   3.412  -4.008
    2    H2   GLY   1           HT2      GLY   1  -1.897   1.793  -4.127
    3    H3   GLY   1           HT3      GLY   1  -1.438   2.895  -5.321
    4    HA2  GLY   1           HA1      GLY   1  -0.563   2.920  -2.492
    5    HA3  GLY   1           HA2      GLY   1   0.409   2.415  -3.865
    6    H    PHE   2           HN       PHE   2   1.582   4.237  -2.462
    7    HA   PHE   2           HA       PHE   2   1.361   6.671  -4.048
    8    HB2  PHE   2           HB2      PHE   2   1.577   6.618  -1.029
    9    HB3  PHE   2           HB1      PHE   2   1.758   8.048  -2.033
   10    HD1  PHE   2           HD1      PHE   2  -0.578   5.684  -0.547
   11    HD2  PHE   2           HD2      PHE   2  -0.192   9.032  -3.137
   12    HE1  PHE   2           HE1      PHE   2  -3.000   6.081  -0.386
   13    HE2  PHE   2           HE2      PHE   2  -2.612   9.435  -2.980
   14    HZ   PHE   2           HZ       PHE   2  -4.019   7.960  -1.605
   15    H    ARG   3           HN       ARG   3   3.197   5.972  -5.095
   16    HA   ARG   3           HA       ARG   3   5.606   6.036  -3.422
   17    HB2  ARG   3           HB2      ARG   3   5.202   4.535  -5.996
   18    HB3  ARG   3           HB1      ARG   3   6.714   4.636  -5.113
   19    HG2  ARG   3           HG2      ARG   3   5.639   3.557  -3.166
   20    HG3  ARG   3           HG1      ARG   3   4.166   3.368  -4.116
   21    HD2  ARG   3           HD2      ARG   3   6.823   2.263  -4.982
   22    HD3  ARG   3           HD1      ARG   3   5.702   1.354  -3.972
   23    HE   ARG   3           HE       ARG   3   4.106   1.931  -5.992
   24   HH11  ARG   3          HH11      ARG   3   7.441   0.844  -6.060
   25   HH12  ARG   3          HH12      ARG   3   7.291   0.071  -7.596
   26   HH21  ARG   3          HH21      ARG   3   3.909   0.932  -8.025
   27   HH22  ARG   3          HH22      ARG   3   5.260   0.115  -8.724
   28    H    SER   4           HN       SER   4   5.776   8.268  -3.632
   29    HA   SER   4           HA       SER   4   6.438   9.248  -6.319
   30    HB2  SER   4           HB2      SER   4   6.099  10.819  -3.755
   31    HB3  SER   4           HB1      SER   4   6.239  11.481  -5.383
   32    HG   SER   4           HG       SER   4   4.136   9.907  -4.317
   33    HA   PRO   5           HA       PRO   5  10.752   9.041  -5.166
   34    HB2  PRO   5           HB2      PRO   5  11.808  10.340  -7.272
   35    HB3  PRO   5           HB1      PRO   5  11.095   8.732  -7.443
   36    HG2  PRO   5           HG2      PRO   5   9.911  11.404  -8.089
   37    HG3  PRO   5           HG1      PRO   5   9.851   9.899  -9.023
   38    HD2  PRO   5           HD2      PRO   5   7.808  10.774  -7.433
   39    HD3  PRO   5           HD1      PRO   5   8.104   9.062  -7.794
   40    H    CYS   6           HN       CYS   6   9.125  11.098  -3.998
   41    HA   CYS   6           HA       CYS   6  11.133  13.025  -3.265
   42    HB2  CYS   6           HB2      CYS   6   9.527  14.928  -3.813
   43    HB3  CYS   6           HB1      CYS   6  10.403  14.230  -5.182
   44    H    ALA   7           HN       ALA   7   9.648  11.006  -1.937
   45    HA   ALA   7           HA       ALA   7   7.565  12.508  -0.532
   46    HB1  ALA   7           HB1      ALA   7   6.861  10.391  -1.546
   47    HB2  ALA   7           HB2      ALA   7   6.726  10.333   0.211
   48    HB3  ALA   7           HB3      ALA   7   8.074   9.533  -0.597
   49    HA   PRO   8           HA       PRO   8   6.357  12.199   0.952
   50    HB2  PRO   8           HB2      PRO   8   5.532  12.982   3.329
   51    HB3  PRO   8           HB1      PRO   8   6.037  11.305   3.079
   52    HG2  PRO   8           HG2      PRO   8   7.527  13.565   4.360
   53    HG3  PRO   8           HG1      PRO   8   7.434  11.861   4.856
   54    HD2  PRO   8           HD2      PRO   8   9.504  13.027   3.361
   55    HD3  PRO   8           HD1      PRO   8   9.189  11.289   3.510
   56    H    PHE   9           HN       PHE   9   8.399  14.293   0.254
   57    HA   PHE   9           HA       PHE   9   6.739  16.635   0.887
   58    HB2  PHE   9           HB2      PHE   9   9.748  16.629   1.086
   59    HB3  PHE   9           HB1      PHE   9   8.715  18.039   1.247
   60    HD1  PHE   9           HD1      PHE   9   7.515  18.464   3.256
   61    HD2  PHE   9           HD2      PHE   9   9.751  14.896   2.772
   62    HE1  PHE   9           HE1      PHE   9   7.329  18.045   5.670
   63    HE2  PHE   9           HE2      PHE   9   9.583  14.463   5.204
   64    HZ   PHE   9           HZ       PHE   9   8.367  16.040   6.649
   65    H    CYS  10           HN       CYS  10   5.955  16.366  -1.283
   66    HA   CYS  10           HA       CYS  10   7.301  18.256  -2.938
   67    HB2  CYS  10           HB2      CYS  10   7.250  16.859  -5.001
   68    HB3  CYS  10           HB1      CYS  10   8.429  16.350  -3.808
   69    HN1  NH2  11           H1       CYS  10   5.651  19.596  -2.917
   70    HN2  NH2  11           H2       CYS  10   4.054  19.228  -3.465
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  -0.678   2.278  -2.568
    2    H2   GLY   1           HT2      GLY   1  -0.345   0.746  -3.204
    3    H3   GLY   1           HT3      GLY   1  -0.309   2.105  -4.205
    4    HA2  GLY   1           HA1      GLY   1   1.548   1.587  -1.965
    5    HA3  GLY   1           HA2      GLY   1   1.918   1.380  -3.671
    6    H    PHE   2           HN       PHE   2   3.634   2.965  -2.630
    7    HA   PHE   2           HA       PHE   2   2.772   5.634  -3.418
    8    HB2  PHE   2           HB2      PHE   2   4.276   4.982  -0.876
    9    HB3  PHE   2           HB1      PHE   2   4.140   6.599  -1.551
   10    HD1  PHE   2           HD1      PHE   2   2.440   3.941   0.256
   11    HD2  PHE   2           HD2      PHE   2   1.993   7.768  -1.544
   12    HE1  PHE   2           HE1      PHE   2   0.319   4.253   1.457
   13    HE2  PHE   2           HE2      PHE   2  -0.130   8.089  -0.345
   14    HZ   PHE   2           HZ       PHE   2  -0.970   6.330   1.160
   15    H    ARG   3           HN       ARG   3   3.860   5.259  -5.311
   16    HA   ARG   3           HA       ARG   3   6.768   5.043  -5.099
   17    HB2  ARG   3           HB2      ARG   3   4.965   4.797  -7.500
   18    HB3  ARG   3           HB1      ARG   3   6.716   4.726  -7.568
   19    HG2  ARG   3           HG2      ARG   3   6.657   2.773  -6.033
   20    HG3  ARG   3           HG1      ARG   3   4.898   2.787  -6.154
   21    HD2  ARG   3           HD2      ARG   3   6.587   2.686  -8.618
   22    HD3  ARG   3           HD1      ARG   3   6.292   1.218  -7.696
   23    HE   ARG   3           HE       ARG   3   3.803   2.253  -8.090
   24   HH11  ARG   3          HH11      ARG   3   6.461   1.430 -10.216
   25   HH12  ARG   3          HH12      ARG   3   5.452   0.980 -11.543
   26   HH21  ARG   3          HH21      ARG   3   2.434   1.670  -9.849
   27   HH22  ARG   3          HH22      ARG   3   3.133   1.105 -11.323
   28    H    SER   4           HN       SER   4   7.193   7.105  -4.401
   29    HA   SER   4           HA       SER   4   7.040   9.132  -6.493
   30    HB2  SER   4           HB2      SER   4   6.284   9.631  -3.603
   31    HB3  SER   4           HB1      SER   4   6.331  10.841  -4.884
   32    HG   SER   4           HG       SER   4   4.218  10.148  -4.626
   33    HA   PRO   5           HA       PRO   5  11.290   9.229  -5.009
   34    HB2  PRO   5           HB2      PRO   5  12.329  10.618  -7.051
   35    HB3  PRO   5           HB1      PRO   5  11.808   8.940  -7.257
   36    HG2  PRO   5           HG2      PRO   5  10.395  11.467  -8.016
   37    HG3  PRO   5           HG1      PRO   5  10.559   9.960  -8.935
   38    HD2  PRO   5           HD2      PRO   5   8.334  10.635  -7.474
   39    HD3  PRO   5           HD1      PRO   5   8.811   8.965  -7.840
   40    H    CYS   6           HN       CYS   6   9.330  11.087  -3.980
   41    HA   CYS   6           HA       CYS   6  11.081  13.208  -3.140
   42    HB2  CYS   6           HB2      CYS   6   9.437  14.984  -3.804
   43    HB3  CYS   6           HB1      CYS   6  10.328  14.277  -5.156
   44    H    ALA   7           HN       ALA   7   9.726  11.070  -1.854
   45    HA   ALA   7           HA       ALA   7   7.512  12.463  -0.546
   46    HB1  ALA   7           HB1      ALA   7   6.893  10.358  -1.648
   47    HB2  ALA   7           HB2      ALA   7   6.662  10.269   0.097
   48    HB3  ALA   7           HB3      ALA   7   8.060   9.496  -0.648
   49    HA   PRO   8           HA       PRO   8   6.294  12.285   0.906
   50    HB2  PRO   8           HB2      PRO   8   5.461  13.111   3.261
   51    HB3  PRO   8           HB1      PRO   8   5.892  11.410   3.038
   52    HG2  PRO   8           HG2      PRO   8   7.479  13.613   4.310
   53    HG3  PRO   8           HG1      PRO   8   7.267  11.936   4.850
   54    HD2  PRO   8           HD2      PRO   8   9.441  12.908   3.387
   55    HD3  PRO   8           HD1      PRO   8   8.985  11.200   3.536
   56    H    PHE   9           HN       PHE   9   8.373  14.211   0.117
   57    HA   PHE   9           HA       PHE   9   7.054  16.711   0.947
   58    HB2  PHE   9           HB2      PHE   9  10.036  16.336   0.705
   59    HB3  PHE   9           HB1      PHE   9   9.218  17.854   1.035
   60    HD1  PHE   9           HD1      PHE   9   8.275  18.302   3.208
   61    HD2  PHE   9           HD2      PHE   9  10.219  14.623   2.366
   62    HE1  PHE   9           HE1      PHE   9   8.426  17.846   5.618
   63    HE2  PHE   9           HE2      PHE   9  10.384  14.157   4.788
   64    HZ   PHE   9           HZ       PHE   9   9.482  15.770   6.410
   65    H    CYS  10           HN       CYS  10   5.989  16.377  -1.198
   66    HA   CYS  10           HA       CYS  10   7.193  18.255  -2.961
   67    HB2  CYS  10           HB2      CYS  10   7.038  16.856  -5.025
   68    HB3  CYS  10           HB1      CYS  10   8.312  16.384  -3.920
   69    HN1  NH2  11           H1       CYS  10   5.422  19.457  -2.472
   70    HN2  NH2  11           H2       CYS  10   3.844  19.110  -3.089
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   1.796   0.036  -2.988
    2    H2   GLY   1           HT2      GLY   1   1.684  -0.988  -4.329
    3    H3   GLY   1           HT3      GLY   1   1.382   0.667  -4.497
    4    HA2  GLY   1           HA1      GLY   1   3.976  -0.577  -3.837
    5    HA3  GLY   1           HA2      GLY   1   3.540   0.158  -5.372
    6    H    PHE   2           HN       PHE   2   5.690   1.255  -4.515
    7    HA   PHE   2           HA       PHE   2   4.857   3.805  -3.375
    8    HB2  PHE   2           HB2      PHE   2   7.323   2.342  -2.419
    9    HB3  PHE   2           HB1      PHE   2   6.748   3.909  -1.874
   10    HD1  PHE   2           HD1      PHE   2   6.523   0.334  -1.478
   11    HD2  PHE   2           HD2      PHE   2   4.645   4.025  -0.524
   12    HE1  PHE   2           HE1      PHE   2   5.268  -0.777   0.317
   13    HE2  PHE   2           HE2      PHE   2   3.387   2.920   1.278
   14    HZ   PHE   2           HZ       PHE   2   3.696   0.517   1.697
   15    H    ARG   3           HN       ARG   3   5.114   4.590  -5.484
   16    HA   ARG   3           HA       ARG   3   7.944   4.906  -6.202
   17    HB2  ARG   3           HB2      ARG   3   5.579   4.862  -8.059
   18    HB3  ARG   3           HB1      ARG   3   7.205   5.310  -8.542
   19    HG2  ARG   3           HG2      ARG   3   7.984   3.050  -7.796
   20    HG3  ARG   3           HG1      ARG   3   6.294   2.611  -7.565
   21    HD2  ARG   3           HD2      ARG   3   7.400   3.626 -10.174
   22    HD3  ARG   3           HD1      ARG   3   7.332   1.916  -9.761
   23    HE   ARG   3           HE       ARG   3   4.794   2.546  -9.430
   24   HH11  ARG   3          HH11      ARG   3   6.987   3.515 -11.995
   25   HH12  ARG   3          HH12      ARG   3   5.738   3.695 -13.173
   26   HH21  ARG   3          HH21      ARG   3   3.135   2.778 -10.994
   27   HH22  ARG   3          HH22      ARG   3   3.528   3.286 -12.598
   28    H    SER   4           HN       SER   4   8.130   6.695  -4.880
   29    HA   SER   4           HA       SER   4   7.316   9.132  -6.213
   30    HB2  SER   4           HB2      SER   4   6.686   8.597  -3.302
   31    HB3  SER   4           HB1      SER   4   6.507  10.155  -4.110
   32    HG   SER   4           HG       SER   4   5.253   8.400  -5.603
   33    HA   PRO   5           HA       PRO   5  11.632   9.393  -4.790
   34    HB2  PRO   5           HB2      PRO   5  12.565  10.801  -6.868
   35    HB3  PRO   5           HB1      PRO   5  12.209   9.075  -7.013
   36    HG2  PRO   5           HG2      PRO   5  10.576  11.423  -7.893
   37    HG3  PRO   5           HG1      PRO   5  10.896   9.902  -8.745
   38    HD2  PRO   5           HD2      PRO   5   8.595  10.423  -7.338
   39    HD3  PRO   5           HD1      PRO   5   9.229   8.792  -7.634
   40    H    CYS   6           HN       CYS   6   9.461  11.110  -3.906
   41    HA   CYS   6           HA       CYS   6  11.018  13.361  -3.044
   42    HB2  CYS   6           HB2      CYS   6   9.360  15.037  -3.823
   43    HB3  CYS   6           HB1      CYS   6  10.245  14.292  -5.155
   44    H    ALA   7           HN       ALA   7   9.793  11.146  -1.789
   45    HA   ALA   7           HA       ALA   7   7.472  12.416  -0.534
   46    HB1  ALA   7           HB1      ALA   7   6.935  10.342  -1.748
   47    HB2  ALA   7           HB2      ALA   7   6.641  10.180  -0.017
   48    HB3  ALA   7           HB3      ALA   7   8.081   9.462  -0.740
   49    HA   PRO   8           HA       PRO   8   6.269  12.345   0.921
   50    HB2  PRO   8           HB2      PRO   8   5.489  13.214   3.275
   51    HB3  PRO   8           HB1      PRO   8   5.836  11.492   3.059
   52    HG2  PRO   8           HG2      PRO   8   7.534  13.620   4.310
   53    HG3  PRO   8           HG1      PRO   8   7.236  11.960   4.864
   54    HD2  PRO   8           HD2      PRO   8   9.452  12.805   3.390
   55    HD3  PRO   8           HD1      PRO   8   8.908  11.124   3.552
   56    H    PHE   9           HN       PHE   9   8.271  14.148  -0.034
   57    HA   PHE   9           HA       PHE   9   7.188  16.711   0.904
   58    HB2  PHE   9           HB2      PHE   9  10.128  16.176   0.503
   59    HB3  PHE   9           HB1      PHE   9   9.416  17.738   0.874
   60    HD1  PHE   9           HD1      PHE   9   8.547  18.201   3.100
   61    HD2  PHE   9           HD2      PHE   9  10.379  14.489   2.160
   62    HE1  PHE   9           HE1      PHE   9   8.800  17.733   5.500
   63    HE2  PHE   9           HE2      PHE   9  10.647  14.011   4.568
   64    HZ   PHE   9           HZ       PHE   9   9.853  15.635   6.235
   65    H    CYS  10           HN       CYS  10   5.997  16.396  -1.181
   66    HA   CYS  10           HA       CYS  10   7.171  18.243  -3.002
   67    HB2  CYS  10           HB2      CYS  10   6.820  16.830  -5.062
   68    HB3  CYS  10           HB1      CYS  10   8.197  16.401  -4.069
   69    HN1  NH2  11           H1       CYS  10   5.466  19.500  -2.429
   70    HN2  NH2  11           H2       CYS  10   3.855  19.204  -2.981
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  -1.448   3.352  -8.470
    2    H2   GLY   1           HT2      GLY   1  -0.909   1.801  -8.877
    3    H3   GLY   1           HT3      GLY   1  -0.241   3.152  -9.635
    4    HA2  GLY   1           HA1      GLY   1   0.032   2.463  -6.770
    5    HA3  GLY   1           HA2      GLY   1   1.279   2.302  -7.996
    6    H    PHE   2           HN       PHE   2   2.135   3.732  -6.019
    7    HA   PHE   2           HA       PHE   2   1.953   6.478  -6.960
    8    HB2  PHE   2           HB2      PHE   2   1.752   5.591  -4.081
    9    HB3  PHE   2           HB1      PHE   2   2.101   7.245  -4.568
   10    HD1  PHE   2           HD1      PHE   2  -0.452   4.698  -4.186
   11    HD2  PHE   2           HD2      PHE   2   0.381   8.574  -5.731
   12    HE1  PHE   2           HE1      PHE   2  -2.864   5.153  -4.336
   13    HE2  PHE   2           HE2      PHE   2  -2.028   9.037  -5.885
   14    HZ   PHE   2           HZ       PHE   2  -3.655   7.327  -5.186
   15    H    ARG   3           HN       ARG   3   3.895   6.121  -7.963
   16    HA   ARG   3           HA       ARG   3   6.211   5.586  -6.283
   17    HB2  ARG   3           HB2      ARG   3   5.978   6.018  -9.256
   18    HB3  ARG   3           HB1      ARG   3   7.487   5.731  -8.414
   19    HG2  ARG   3           HG2      ARG   3   6.722   3.544  -7.698
   20    HG3  ARG   3           HG1      ARG   3   5.167   3.815  -8.486
   21    HD2  ARG   3           HD2      ARG   3   7.747   3.975  -9.992
   22    HD3  ARG   3           HD1      ARG   3   6.934   2.435  -9.732
   23    HE   ARG   3           HE       ARG   3   4.944   3.768 -10.794
   24   HH11  ARG   3          HH11      ARG   3   8.315   3.911 -11.751
   25   HH12  ARG   3          HH12      ARG   3   7.959   4.163 -13.423
   26   HH21  ARG   3          HH21      ARG   3   4.476   4.129 -13.012
   27   HH22  ARG   3          HH22      ARG   3   5.774   4.298 -14.141
   28    H    SER   4           HN       SER   4   6.278   7.425  -5.030
   29    HA   SER   4           HA       SER   4   6.692   9.948  -6.465
   30    HB2  SER   4           HB2      SER   4   6.032   9.526  -3.545
   31    HB3  SER   4           HB1      SER   4   6.106  11.072  -4.389
   32    HG   SER   4           HG       SER   4   4.480   9.325  -5.660
   33    HA   PRO   5           HA       PRO   5  10.962   9.153  -5.076
   34    HB2  PRO   5           HB2      PRO   5  12.178  10.471  -7.059
   35    HB3  PRO   5           HB1      PRO   5  11.439   8.892  -7.349
   36    HG2  PRO   5           HG2      PRO   5  10.369  11.618  -7.964
   37    HG3  PRO   5           HG1      PRO   5  10.356  10.161  -8.973
   38    HD2  PRO   5           HD2      PRO   5   8.217  11.012  -7.485
   39    HD3  PRO   5           HD1      PRO   5   8.492   9.317  -7.936
   40    H    CYS   6           HN       CYS   6   9.222  11.135  -3.990
   41    HA   CYS   6           HA       CYS   6  11.116  13.136  -3.156
   42    HB2  CYS   6           HB2      CYS   6   9.484  14.982  -3.771
   43    HB3  CYS   6           HB1      CYS   6  10.388  14.287  -5.122
   44    H    ALA   7           HN       ALA   7   9.665  11.033  -1.904
   45    HA   ALA   7           HA       ALA   7   7.526  12.473  -0.534
   46    HB1  ALA   7           HB1      ALA   7   8.064   9.508  -0.652
   47    HB2  ALA   7           HB2      ALA   7   6.859  10.373  -1.604
   48    HB3  ALA   7           HB3      ALA   7   6.696  10.276   0.149
   49    HA   PRO   8           HA       PRO   8   6.318  12.269   0.928
   50    HB2  PRO   8           HB2      PRO   8   5.517  13.069   3.310
   51    HB3  PRO   8           HB1      PRO   8   5.921  11.371   3.043
   52    HG2  PRO   8           HG2      PRO   8   7.521  13.514   4.381
   53    HG3  PRO   8           HG1      PRO   8   7.338  11.806   4.829
   54    HD2  PRO   8           HD2      PRO   8   9.469  12.911   3.381
   55    HD3  PRO   8           HD1      PRO   8   9.076  11.187   3.499
   56    H    PHE   9           HN       PHE   9   8.276  14.207   0.062
   57    HA   PHE   9           HA       PHE   9   6.962  16.683   0.917
   58    HB2  PHE   9           HB2      PHE   9   9.960  16.361   0.819
   59    HB3  PHE   9           HB1      PHE   9   9.103  17.870   1.102
   60    HD1  PHE   9           HD1      PHE   9   7.965  18.269   3.213
   61    HD2  PHE   9           HD2      PHE   9  10.133  14.691   2.500
   62    HE1  PHE   9           HE1      PHE   9   7.970  17.808   5.630
   63    HE2  PHE   9           HE2      PHE   9  10.155  14.220   4.930
   64    HZ   PHE   9           HZ       PHE   9   9.068  15.781   6.491
   65    H    CYS  10           HN       CYS  10   5.972  16.382  -1.235
   66    HA   CYS  10           HA       CYS  10   7.225  18.263  -2.963
   67    HB2  CYS  10           HB2      CYS  10   7.061  16.864  -5.040
   68    HB3  CYS  10           HB1      CYS  10   8.345  16.409  -3.934
   69    HN1  NH2  11           H1       CYS  10   5.431  19.438  -2.391
   70    HN2  NH2  11           H2       CYS  10   3.875  19.137  -3.077
  Start of MODEL   20
    1    H1   GLY   1           HT1      GLY   1  -0.883   3.174  -2.443
    2    H2   GLY   1           HT2      GLY   1  -1.357   2.017  -3.582
    3    H3   GLY   1           HT3      GLY   1  -1.203   3.637  -4.035
    4    HA2  GLY   1           HA1      GLY   1   1.011   1.884  -3.153
    5    HA3  GLY   1           HA2      GLY   1   0.670   2.334  -4.817
    6    H    PHE   2           HN       PHE   2   3.029   2.843  -3.093
    7    HA   PHE   2           HA       PHE   2   2.961   5.765  -3.035
    8    HB2  PHE   2           HB2      PHE   2   4.702   3.854  -1.468
    9    HB3  PHE   2           HB1      PHE   2   4.881   5.602  -1.468
   10    HD1  PHE   2           HD1      PHE   2   2.654   2.820  -0.495
   11    HD2  PHE   2           HD2      PHE   2   3.526   6.963  -0.096
   12    HE1  PHE   2           HE1      PHE   2   1.073   2.966   1.383
   13    HE2  PHE   2           HE2      PHE   2   1.945   7.117   1.779
   14    HZ   PHE   2           HZ       PHE   2   0.717   5.120   2.522
   15    H    ARG   3           HN       ARG   3   3.446   5.866  -5.187
   16    HA   ARG   3           HA       ARG   3   6.235   5.172  -5.801
   17    HB2  ARG   3           HB2      ARG   3   4.043   5.714  -7.790
   18    HB3  ARG   3           HB1      ARG   3   5.667   5.157  -8.144
   19    HG2  ARG   3           HG2      ARG   3   5.184   3.076  -6.838
   20    HG3  ARG   3           HG1      ARG   3   3.510   3.607  -6.718
   21    HD2  ARG   3           HD2      ARG   3   4.889   3.329  -9.368
   22    HD3  ARG   3           HD1      ARG   3   4.143   1.946  -8.576
   23    HE   ARG   3           HE       ARG   3   2.177   3.856  -8.620
   24   HH11  ARG   3          HH11      ARG   3   4.148   2.249 -11.021
   25   HH12  ARG   3          HH12      ARG   3   2.970   2.400 -12.279
   26   HH21  ARG   3          HH21      ARG   3   0.617   4.073 -10.295
   27   HH22  ARG   3          HH22      ARG   3   0.956   3.431 -11.867
   28    H    SER   4           HN       SER   4   7.003   7.048  -4.808
   29    HA   SER   4           HA       SER   4   6.858   9.378  -6.526
   30    HB2  SER   4           HB2      SER   4   6.492  10.801  -4.362
   31    HB3  SER   4           HB1      SER   4   5.105  10.066  -5.166
   32    HG   SER   4           HG       SER   4   6.374   8.510  -3.234
   33    HA   PRO   5           HA       PRO   5  11.118   9.148  -5.078
   34    HB2  PRO   5           HB2      PRO   5  12.224  10.498  -7.101
   35    HB3  PRO   5           HB1      PRO   5  11.594   8.865  -7.341
   36    HG2  PRO   5           HG2      PRO   5  10.362  11.493  -8.057
   37    HG3  PRO   5           HG1      PRO   5  10.390   9.982  -8.982
   38    HD2  PRO   5           HD2      PRO   5   8.259  10.850  -7.445
   39    HD3  PRO   5           HD1      PRO   5   8.550   9.162  -7.909
   40    H    CYS   6           HN       CYS   6   9.249  11.093  -4.017
   41    HA   CYS   6           HA       CYS   6  11.104  13.133  -3.183
   42    HB2  CYS   6           HB2      CYS   6   9.499  14.968  -3.824
   43    HB3  CYS   6           HB1      CYS   6  10.385  14.250  -5.174
   44    H    ALA   7           HN       ALA   7   9.670  11.049  -1.898
   45    HA   ALA   7           HA       ALA   7   7.534  12.513  -0.536
   46    HB1  ALA   7           HB1      ALA   7   6.654  10.338   0.132
   47    HB2  ALA   7           HB2      ALA   7   8.015   9.535  -0.647
   48    HB3  ALA   7           HB3      ALA   7   6.840  10.420  -1.619
   49    HA   PRO   8           HA       PRO   8   6.324  12.261   0.945
   50    HB2  PRO   8           HB2      PRO   8   5.529  13.035   3.342
   51    HB3  PRO   8           HB1      PRO   8   5.947  11.341   3.052
   52    HG2  PRO   8           HG2      PRO   8   7.529  13.476   4.420
   53    HG3  PRO   8           HG1      PRO   8   7.378  11.757   4.829
   54    HD2  PRO   8           HD2      PRO   8   9.474  12.945   3.372
   55    HD3  PRO   8           HD1      PRO   8   9.137  11.208   3.486
   56    H    PHE   9           HN       PHE   9   8.299  14.241   0.107
   57    HA   PHE   9           HA       PHE   9   6.897  16.687   0.921
   58    HB2  PHE   9           HB2      PHE   9   9.904  16.455   0.905
   59    HB3  PHE   9           HB1      PHE   9   8.989  17.930   1.187
   60    HD1  PHE   9           HD1      PHE   9   7.775  18.250   3.265
   61    HD2  PHE   9           HD2      PHE   9  10.099  14.773   2.561
   62    HE1  PHE   9           HE1      PHE   9   7.727  17.752   5.670
   63    HE2  PHE   9           HE2      PHE   9  10.073  14.265   4.981
   64    HZ   PHE   9           HZ       PHE   9   8.882  15.756   6.534
   65    H    CYS  10           HN       CYS  10   5.990  16.373  -1.247
   66    HA   CYS  10           HA       CYS  10   7.239  18.264  -2.966
   67    HB2  CYS  10           HB2      CYS  10   7.173  16.861  -5.014
   68    HB3  CYS  10           HB1      CYS  10   8.389  16.365  -3.852
   69    HN1  NH2  11           H1       CYS  10   5.595  19.581  -3.113
   70    HN2  NH2  11           H2       CYS  10   3.976  19.149  -3.526
  Start of MODEL   21
    1    H1   GLY   1           HT1      GLY   1   3.124  -0.833  -0.942
    2    H2   GLY   1           HT2      GLY   1   4.049  -2.112  -1.537
    3    H3   GLY   1           HT3      GLY   1   3.218  -1.103  -2.606
    4    HA2  GLY   1           HA1      GLY   1   5.480  -0.310  -0.869
    5    HA3  GLY   1           HA2      GLY   1   5.553  -0.550  -2.608
    6    H    PHE   2           HN       PHE   2   6.416   1.813  -1.864
    7    HA   PHE   2           HA       PHE   2   4.267   3.633  -2.598
    8    HB2  PHE   2           HB2      PHE   2   6.153   4.039  -0.268
    9    HB3  PHE   2           HB1      PHE   2   5.169   5.316  -0.966
   10    HD1  PHE   2           HD1      PHE   2   5.221   2.402   1.195
   11    HD2  PHE   2           HD2      PHE   2   2.714   5.244  -0.743
   12    HE1  PHE   2           HE1      PHE   2   3.362   1.769   2.678
   13    HE2  PHE   2           HE2      PHE   2   0.853   4.616   0.737
   14    HZ   PHE   2           HZ       PHE   2   1.175   2.877   2.449
   15    H    ARG   3           HN       ARG   3   5.175   3.703  -4.605
   16    HA   ARG   3           HA       ARG   3   7.926   4.559  -4.851
   17    HB2  ARG   3           HB2      ARG   3   5.892   3.913  -6.956
   18    HB3  ARG   3           HB1      ARG   3   7.545   4.401  -7.295
   19    HG2  ARG   3           HG2      ARG   3   8.223   2.419  -5.790
   20    HG3  ARG   3           HG1      ARG   3   6.569   1.863  -6.042
   21    HD2  ARG   3           HD2      ARG   3   8.437   2.556  -8.299
   22    HD3  ARG   3           HD1      ARG   3   8.317   0.939  -7.616
   23    HE   ARG   3           HE       ARG   3   5.779   1.397  -8.236
   24   HH11  ARG   3          HH11      ARG   3   8.699   1.982 -10.105
   25   HH12  ARG   3          HH12      ARG   3   7.921   1.727 -11.629
   26   HH21  ARG   3          HH21      ARG   3   4.749   1.067 -10.267
   27   HH22  ARG   3          HH22      ARG   3   5.676   1.202 -11.719
   28    H    SER   4           HN       SER   4   7.887   6.567  -4.007
   29    HA   SER   4           HA       SER   4   6.964   8.604  -5.873
   30    HB2  SER   4           HB2      SER   4   6.536   8.756  -2.879
   31    HB3  SER   4           HB1      SER   4   6.130  10.009  -4.052
   32    HG   SER   4           HG       SER   4   5.000   7.795  -4.900
   33    HA   PRO   5           HA       PRO   5  11.345   9.168  -4.877
   34    HB2  PRO   5           HB2      PRO   5  12.026  10.437  -7.149
   35    HB3  PRO   5           HB1      PRO   5  11.741   8.693  -7.098
   36    HG2  PRO   5           HG2      PRO   5   9.930  10.882  -8.032
   37    HG3  PRO   5           HG1      PRO   5  10.227   9.292  -8.754
   38    HD2  PRO   5           HD2      PRO   5   8.052   9.884  -7.205
   39    HD3  PRO   5           HD1      PRO   5   8.730   8.253  -7.372
   40    H    CYS   6           HN       CYS   6   9.283  10.983  -3.895
   41    HA   CYS   6           HA       CYS   6  10.999  13.185  -3.282
   42    HB2  CYS   6           HB2      CYS   6   9.370  14.914  -3.986
   43    HB3  CYS   6           HB1      CYS   6  10.140  14.101  -5.348
   44    H    ALA   7           HN       ALA   7   9.796  11.118  -1.832
   45    HA   ALA   7           HA       ALA   7   7.585  12.503  -0.495
   46    HB1  ALA   7           HB1      ALA   7   6.806  10.297   0.236
   47    HB2  ALA   7           HB2      ALA   7   8.175   9.541  -0.577
   48    HB3  ALA   7           HB3      ALA   7   6.941  10.371  -1.521
   49    HA   PRO   8           HA       PRO   8   6.401  12.129   0.984
   50    HB2  PRO   8           HB2      PRO   8   5.572  12.929   3.370
   51    HB3  PRO   8           HB1      PRO   8   6.052  11.249   3.099
   52    HG2  PRO   8           HG2      PRO   8   7.537  13.454   4.453
   53    HG3  PRO   8           HG1      PRO   8   7.480  11.727   4.854
   54    HD2  PRO   8           HD2      PRO   8   9.504  13.035   3.399
   55    HD3  PRO   8           HD1      PRO   8   9.263  11.284   3.515
   56    H    PHE   9           HN       PHE   9   8.351  14.243   0.214
   57    HA   PHE   9           HA       PHE   9   6.705  16.587   0.853
   58    HB2  PHE   9           HB2      PHE   9   9.713  16.612   1.028
   59    HB3  PHE   9           HB1      PHE   9   8.648  17.990   1.257
   60    HD1  PHE   9           HD1      PHE   9   7.380  18.244   3.294
   61    HD2  PHE   9           HD2      PHE   9   9.917  14.902   2.681
   62    HE1  PHE   9           HE1      PHE   9   7.277  17.748   5.699
   63    HE2  PHE   9           HE2      PHE   9   9.832  14.394   5.102
   64    HZ   PHE   9           HZ       PHE   9   8.508  15.817   6.607
   65    H    CYS  10           HN       CYS  10   5.928  16.403  -1.323
   66    HA   CYS  10           HA       CYS  10   7.397  18.226  -2.973
   67    HB2  CYS  10           HB2      CYS  10   7.146  16.839  -5.051
   68    HB3  CYS  10           HB1      CYS  10   8.351  16.286  -3.906
   69    HN1  NH2  11           H1       CYS  10   5.802  19.668  -2.754
   70    HN2  NH2  11           H2       CYS  10   4.200  19.458  -3.368
  Start of MODEL   22
    1    H1   GLY   1           HT1      GLY   1  -1.397   4.779   0.115
    2    H2   GLY   1           HT2      GLY   1  -1.653   3.197  -0.416
    3    H3   GLY   1           HT3      GLY   1  -1.408   4.440  -1.536
    4    HA2  GLY   1           HA1      GLY   1   0.593   3.476   0.417
    5    HA3  GLY   1           HA2      GLY   1   0.578   3.092  -1.300
    6    H    PHE   2           HN       PHE   2   2.839   4.173  -0.518
    7    HA   PHE   2           HA       PHE   2   2.705   6.888  -1.553
    8    HB2  PHE   2           HB2      PHE   2   4.247   6.124   0.935
    9    HB3  PHE   2           HB1      PHE   2   4.344   7.671   0.103
   10    HD1  PHE   2           HD1      PHE   2   2.439   5.602   2.395
   11    HD2  PHE   2           HD2      PHE   2   2.430   9.224   0.166
   12    HE1  PHE   2           HE1      PHE   2   0.585   6.439   3.773
   13    HE2  PHE   2           HE2      PHE   2   0.575  10.069   1.543
   14    HZ   PHE   2           HZ       PHE   2  -0.351   8.677   3.345
   15    H    ARG   3           HN       ARG   3   3.518   5.987  -3.430
   16    HA   ARG   3           HA       ARG   3   6.377   5.405  -3.220
   17    HB2  ARG   3           HB2      ARG   3   4.433   4.359  -5.262
   18    HB3  ARG   3           HB1      ARG   3   6.177   4.184  -5.385
   19    HG2  ARG   3           HG2      ARG   3   6.031   3.065  -3.068
   20    HG3  ARG   3           HG1      ARG   3   4.309   2.914  -3.411
   21    HD2  ARG   3           HD2      ARG   3   6.451   1.924  -5.274
   22    HD3  ARG   3           HD1      ARG   3   5.750   0.922  -4.008
   23    HE   ARG   3           HE       ARG   3   3.555   1.623  -5.264
   24   HH11  ARG   3          HH11      ARG   3   6.646   0.729  -6.659
   25   HH12  ARG   3          HH12      ARG   3   5.954   0.043  -8.085
   26   HH21  ARG   3          HH21      ARG   3   2.631   0.708  -7.142
   27   HH22  ARG   3          HH22      ARG   3   3.653   0.014  -8.358
   28    H    SER   4           HN       SER   4   6.926   7.528  -3.345
   29    HA   SER   4           HA       SER   4   6.796   8.636  -6.051
   30    HB2  SER   4           HB2      SER   4   6.269  10.269  -3.558
   31    HB3  SER   4           HB1      SER   4   6.236  10.847  -5.223
   32    HG   SER   4           HG       SER   4   4.585   8.874  -5.243
   33    HA   PRO   5           HA       PRO   5  11.117   9.123  -5.052
   34    HB2  PRO   5           HB2      PRO   5  11.913  10.453  -7.246
   35    HB3  PRO   5           HB1      PRO   5  11.410   8.759  -7.325
   36    HG2  PRO   5           HG2      PRO   5   9.851  11.227  -8.004
   37    HG3  PRO   5           HG1      PRO   5   9.979   9.706  -8.904
   38    HD2  PRO   5           HD2      PRO   5   7.876  10.308  -7.280
   39    HD3  PRO   5           HD1      PRO   5   8.430   8.647  -7.576
   40    H    CYS   6           HN       CYS   6   9.236  11.043  -3.932
   41    HA   CYS   6           HA       CYS   6  11.073  13.143  -3.266
   42    HB2  CYS   6           HB2      CYS   6   9.429  14.936  -3.896
   43    HB3  CYS   6           HB1      CYS   6  10.252  14.183  -5.265
   44    H    ALA   7           HN       ALA   7   9.722  11.071  -1.867
   45    HA   ALA   7           HA       ALA   7   7.581  12.534  -0.503
   46    HB1  ALA   7           HB1      ALA   7   6.699  10.359   0.174
   47    HB2  ALA   7           HB2      ALA   7   8.048   9.553  -0.626
   48    HB3  ALA   7           HB3      ALA   7   6.866  10.448  -1.578
   49    HA   PRO   8           HA       PRO   8   6.358  12.196   0.999
   50    HB2  PRO   8           HB2      PRO   8   5.588  12.999   3.398
   51    HB3  PRO   8           HB1      PRO   8   6.017  11.307   3.121
   52    HG2  PRO   8           HG2      PRO   8   7.591  13.469   4.447
   53    HG3  PRO   8           HG1      PRO   8   7.471  11.750   4.866
   54    HD2  PRO   8           HD2      PRO   8   9.533  12.955   3.383
   55    HD3  PRO   8           HD1      PRO   8   9.214  11.216   3.504
   56    H    PHE   9           HN       PHE   9   8.265  14.227   0.107
   57    HA   PHE   9           HA       PHE   9   6.776  16.627   0.889
   58    HB2  PHE   9           HB2      PHE   9   9.788  16.509   0.965
   59    HB3  PHE   9           HB1      PHE   9   8.812  17.948   1.208
   60    HD1  PHE   9           HD1      PHE   9   7.537  18.241   3.263
   61    HD2  PHE   9           HD2      PHE   9  10.010  14.854   2.640
   62    HE1  PHE   9           HE1      PHE   9   7.473  17.772   5.676
   63    HE2  PHE   9           HE2      PHE   9   9.963  14.374   5.066
   64    HZ   PHE   9           HZ       PHE   9   8.690  15.835   6.581
   65    H    CYS  10           HN       CYS  10   5.934  16.359  -1.320
   66    HA   CYS  10           HA       CYS  10   7.356  18.219  -2.976
   67    HB2  CYS  10           HB2      CYS  10   7.100  16.821  -5.055
   68    HB3  CYS  10           HB1      CYS  10   8.354  16.321  -3.939
   69    HN1  NH2  11           H1       CYS  10   5.850  19.681  -3.045
   70    HN2  NH2  11           H2       CYS  10   4.208  19.431  -3.519