NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
654674 6vl2 30716 cing 1-original 4 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1          1HT       PHE   1  -5.674   8.668   6.593
    2    H2   PHE   1          2HT       PHE   1  -4.038   8.992   6.266
    3    H3   PHE   1          3HT       PHE   1  -5.111  10.268   6.597
    4    HA   PHE   1           HA       PHE   1  -3.507   9.383   8.434
    5    HB2  PHE   1          2HB       PHE   1  -6.399   9.788   9.186
    6    HB3  PHE   1          1HB       PHE   1  -4.954  10.350  10.024
    7    HD1  PHE   1          1HD       PHE   1  -7.616  11.552   8.269
    8    HD2  PHE   1          2HD       PHE   1  -3.324  11.693   8.160
    9    HE1  PHE   1          1HE       PHE   1  -7.718  13.691   7.020
   10    HE2  PHE   1          2HE       PHE   1  -3.427  13.833   6.910
   11    HZ   PHE   1           HZ       PHE   1  -5.624  14.832   6.340
   12    H    PHE   2           H        PHE   2  -4.840   7.084   6.864
   13    HA   PHE   2           HA       PHE   2  -6.099   5.409   8.803
   14    HB2  PHE   2          2HB       PHE   2  -5.573   5.334   6.009
   15    HB3  PHE   2          1HB       PHE   2  -4.877   3.870   6.699
   16    HD1  PHE   2          1HD       PHE   2  -6.300   2.028   6.752
   17    HD2  PHE   2          2HD       PHE   2  -7.960   5.963   7.212
   18    HE1  PHE   2          1HE       PHE   2  -8.570   1.048   6.943
   19    HE2  PHE   2          2HE       PHE   2 -10.231   4.982   7.404
   20    HZ   PHE   2           HZ       PHE   2 -10.535   2.525   7.269
   21    H    SER   3           H        SER   3  -5.003   3.033   8.904
   22    HA   SER   3           HA       SER   3  -2.149   3.181   9.471
   23    HB2  SER   3          2HB       SER   3  -4.044   2.361  11.676
   24    HB3  SER   3          1HB       SER   3  -2.296   2.597  11.779
   25    HG   SER   3           HG       SER   3  -4.357   4.506  11.476
   26    H    LEU   4           H        LEU   4  -1.309   1.015  10.167
   27    HA   LEU   4           HA       LEU   4  -0.979  -1.165   9.450
   28    HB2  LEU   4          2HB       LEU   4  -3.838  -1.473  10.383
   29    HB3  LEU   4          1HB       LEU   4  -2.561  -2.692  10.397
   30    HG   LEU   4           HG       LEU   4  -2.594  -0.131  12.022
   31   HD11  LEU   4          1HD1      LEU   4  -4.143  -1.859  12.854
   32   HD12  LEU   4          2HD1      LEU   4  -2.767  -1.680  13.943
   33   HD13  LEU   4          3HD1      LEU   4  -2.838  -3.046  12.831
   34   HD21  LEU   4          1HD2      LEU   4  -0.316  -0.542  11.587
   35   HD22  LEU   4          2HD2      LEU   4  -0.533  -2.292  11.592
   36   HD23  LEU   4          3HD2      LEU   4  -0.580  -1.393  13.108
   37    H    ILE   5           H        ILE   5  -1.367   0.183   7.210
   38    HA   ILE   5           HA       ILE   5  -3.581  -0.303   5.644
   39    HB   ILE   5           HB       ILE   5  -2.375   1.007   4.377
   40   HG12  ILE   5          2HG1      ILE   5  -0.498  -1.344   3.966
   41   HG13  ILE   5          1HG1      ILE   5  -1.985  -1.061   3.052
   42   HG21  ILE   5          1HG2      ILE   5   0.007   0.112   6.009
   43   HG22  ILE   5          2HG2      ILE   5  -0.965   1.561   6.260
   44   HG23  ILE   5          3HG2      ILE   5   0.060   1.425   4.835
   45   HD11  ILE   5          1HD1      ILE   5  -0.915   1.281   2.555
   46   HD12  ILE   5          2HD1      ILE   5  -0.366  -0.127   1.646
   47   HD13  ILE   5          3HD1      ILE   5   0.595   0.482   2.994
   48    HA   PRO   6           HA       PRO   6  -3.474  -4.532   4.779
   49    HB2  PRO   6          2HB       PRO   6  -5.448  -4.625   3.005
   50    HB3  PRO   6          1HB       PRO   6  -5.769  -4.116   4.683
   51    HG2  PRO   6          2HG       PRO   6  -5.351  -2.464   2.261
   52    HG3  PRO   6          1HG       PRO   6  -6.593  -2.290   3.510
   53    HD2  PRO   6          2HD       PRO   6  -4.255  -0.808   3.418
   54    HD3  PRO   6          1HD       PRO   6  -5.150  -1.129   4.918
   55    H    SER   7           H        SER   7  -3.064  -6.011   3.003
   56    HA   SER   7           HA       SER   7  -0.956  -5.259   1.341
   57    HB2  SER   7          2HB       SER   7  -1.531  -7.335   0.046
   58    HB3  SER   7          1HB       SER   7  -1.385  -7.600   1.787
   59    HG   SER   7           HG       SER   7  -3.330  -8.432   0.552
   60    H    LEU   8           H        LEU   8  -4.217  -4.395   1.231
   61    HA   LEU   8           HA       LEU   8  -4.692  -4.356  -1.575
   62    HB2  LEU   8          2HB       LEU   8  -6.246  -3.901   0.592
   63    HB3  LEU   8          1HB       LEU   8  -5.945  -2.232   0.084
   64    HG   LEU   8           HG       LEU   8  -6.565  -3.072  -2.295
   65   HD11  LEU   8          1HD1      LEU   8  -7.510  -5.132  -2.563
   66   HD12  LEU   8          2HD1      LEU   8  -8.326  -5.077  -1.002
   67   HD13  LEU   8          3HD1      LEU   8  -6.623  -5.526  -1.091
   68   HD21  LEU   8          1HD2      LEU   8  -7.966  -1.541  -0.985
   69   HD22  LEU   8          2HD2      LEU   8  -8.642  -2.900  -0.086
   70   HD23  LEU   8          3HD2      LEU   8  -8.982  -2.725  -1.808
   71    H    VAL   9           H        VAL   9  -3.838  -1.657   0.605
   72    HA   VAL   9           HA       VAL   9  -3.268   0.104  -1.586
   73    HB   VAL   9           HB       VAL   9  -2.671   0.308   1.370
   74   HG11  VAL   9          1HG1      VAL   9  -2.266   2.261  -0.905
   75   HG12  VAL   9          2HG1      VAL   9  -1.065   1.696   0.256
   76   HG13  VAL   9          3HG1      VAL   9  -2.362   2.768   0.782
   77   HG21  VAL   9          1HG2      VAL   9  -4.800   1.464  -0.449
   78   HG22  VAL   9          2HG2      VAL   9  -4.520   2.029   1.198
   79   HG23  VAL   9          3HG2      VAL   9  -5.039   0.368   0.911
   80    H    GLY  10           H        GLY  10  -1.405  -2.054   0.445
   81    HA2  GLY  10          2HA       GLY  10   1.169  -1.083  -0.318
   82    HA3  GLY  10          1HA       GLY  10   0.829  -2.615   0.478
   83    H    GLY  11           H        GLY  11  -1.099  -3.379  -1.648
   84    HA2  GLY  11          2HA       GLY  11   0.548  -4.956  -3.243
   85    HA3  GLY  11          1HA       GLY  11  -1.120  -4.553  -3.626
   86    H    LEU  12           H        LEU  12  -1.083  -1.899  -4.155
   87    HA   LEU  12           HA       LEU  12  -0.105  -1.751  -6.769
   88    HB2  LEU  12          2HB       LEU  12  -0.709   0.563  -6.741
   89    HB3  LEU  12          1HB       LEU  12  -1.890  -0.294  -5.743
   90    HG   LEU  12           HG       LEU  12   0.054   0.334  -3.892
   91   HD11  LEU  12          1HD1      LEU  12   0.647   2.687  -4.237
   92   HD12  LEU  12          2HD1      LEU  12  -0.196   2.690  -5.785
   93   HD13  LEU  12          3HD1      LEU  12   1.256   1.714  -5.574
   94   HD21  LEU  12          1HD2      LEU  12  -2.405   0.629  -3.676
   95   HD22  LEU  12          2HD2      LEU  12  -2.306   2.063  -4.696
   96   HD23  LEU  12          3HD2      LEU  12  -1.521   2.049  -3.116
   97    H    ILE  13           H        ILE  13   1.475  -1.098  -3.734
   98    HA   ILE  13           HA       ILE  13   3.624   0.462  -4.798
   99    HB   ILE  13           HB       ILE  13   3.689  -1.212  -2.284
  100   HG12  ILE  13          2HG1      ILE  13   2.521   1.552  -2.757
  101   HG13  ILE  13          1HG1      ILE  13   1.638   0.107  -2.246
  102   HG21  ILE  13          1HG2      ILE  13   5.791  -0.099  -3.170
  103   HG22  ILE  13          2HG2      ILE  13   5.312   0.406  -1.549
  104   HG23  ILE  13          3HG2      ILE  13   4.981   1.449  -2.931
  105   HD11  ILE  13          1HD1      ILE  13   3.255   0.050  -0.238
  106   HD12  ILE  13          2HD1      ILE  13   2.019   1.308  -0.237
  107   HD13  ILE  13          3HD1      ILE  13   3.677   1.701  -0.690
  108    H    SER  14           H        SER  14   3.291  -2.970  -3.901
  109    HA   SER  14           HA       SER  14   5.869  -3.828  -4.487
  110    HB2  SER  14          2HB       SER  14   3.223  -5.258  -4.812
  111    HB3  SER  14          1HB       SER  14   4.794  -6.053  -4.970
  112    HG   SER  14           HG       SER  14   5.043  -4.792  -2.778
  113    H    ALA  15           H        ALA  15   3.144  -3.217  -6.635
  114    HA   ALA  15           HA       ALA  15   4.211  -4.360  -8.979
  115    HB1  ALA  15          1HB       ALA  15   2.361  -1.975  -8.757
  116    HB2  ALA  15          2HB       ALA  15   1.840  -3.659  -8.701
  117    HB3  ALA  15          3HB       ALA  15   2.574  -3.011 -10.168
  118    H    PHE  16           H        PHE  16   4.583  -1.176  -7.508
  119    HA   PHE  16           HA       PHE  16   5.931   0.044  -9.677
  120    HB2  PHE  16          2HB       PHE  16   4.842   1.125  -7.581
  121    HB3  PHE  16          1HB       PHE  16   6.392   0.805  -6.803
  122    HD1  PHE  16          1HD       PHE  16   4.767   2.531  -9.669
  123    HD2  PHE  16          2HD       PHE  16   8.325   2.121  -7.296
  124    HE1  PHE  16          1HE       PHE  16   5.728   4.541 -10.760
  125    HE2  PHE  16          2HE       PHE  16   9.285   4.130  -8.387
  126    HZ   PHE  16           HZ       PHE  16   7.986   5.340 -10.120
  127    H    LYS  17           H        LYS  17   7.017  -1.792  -6.867
  128    HA   LYS  17           HA       LYS  17   9.175  -2.332  -6.163
  129    HB2  LYS  17          2HB       LYS  17  10.240  -3.842  -7.832
  130    HB3  LYS  17          1HB       LYS  17   8.527  -4.182  -7.589
  131    HG2  LYS  17          2HG       LYS  17   7.928  -3.059  -9.627
  132    HG3  LYS  17          1HG       LYS  17   9.557  -2.409  -9.817
  133    HD2  LYS  17          2HD       LYS  17  10.470  -4.580 -10.252
  134    HD3  LYS  17          1HD       LYS  17   8.974  -5.377  -9.763
  135    HE2  LYS  17          2HE       LYS  17   9.085  -5.335 -12.196
  136    HE3  LYS  17          1HE       LYS  17   7.805  -4.246 -11.661
  137    HZ1  LYS  17          1HZ       LYS  17  10.367  -2.971 -11.826
  138    HZ2  LYS  17          2HZ       LYS  17   8.872  -2.489 -12.475
  139    HZ3  LYS  17          3HZ       LYS  17   9.853  -3.591 -13.318
  140    HN1  NH2  17          1H        LYS  17  11.458  -2.609  -8.147
  141    HN2  NH2  17          2H        LYS  17  12.028  -1.016  -8.361
  Start of MODEL    2
    1    H1   PHE   1          1HT       PHE   1  -8.526   5.723  15.244
    2    H2   PHE   1          2HT       PHE   1 -10.202   5.994  15.177
    3    H3   PHE   1          3HT       PHE   1  -9.191   6.603  13.956
    4    HA   PHE   1           HA       PHE   1  -9.229   3.712  14.456
    5    HB2  PHE   1          2HB       PHE   1 -11.116   3.485  12.878
    6    HB3  PHE   1          1HB       PHE   1 -11.603   4.365  14.327
    7    HD1  PHE   1          1HD       PHE   1 -11.474   6.953  14.243
    8    HD2  PHE   1          2HD       PHE   1 -11.425   4.449  10.752
    9    HE1  PHE   1          1HE       PHE   1 -12.159   8.885  12.847
   10    HE2  PHE   1          2HE       PHE   1 -12.110   6.381   9.357
   11    HZ   PHE   1           HZ       PHE   1 -12.477   8.599  10.404
   12    H    PHE   2           H        PHE   2  -7.344   5.808  13.516
   13    HA   PHE   2           HA       PHE   2  -7.175   5.376  10.633
   14    HB2  PHE   2          2HB       PHE   2  -6.656   7.598  11.473
   15    HB3  PHE   2          1HB       PHE   2  -5.426   6.936  12.551
   16    HD1  PHE   2          1HD       PHE   2  -3.209   6.950  11.818
   17    HD2  PHE   2          2HD       PHE   2  -6.377   6.863   8.917
   18    HE1  PHE   2          1HE       PHE   2  -1.539   7.089   9.990
   19    HE2  PHE   2          2HE       PHE   2  -4.706   7.002   7.090
   20    HZ   PHE   2           HZ       PHE   2  -2.288   7.115   7.626
   21    H    SER   3           H        SER   3  -5.310   4.458   9.620
   22    HA   SER   3           HA       SER   3  -3.393   2.996  11.237
   23    HB2  SER   3          2HB       SER   3  -5.218   1.458   9.379
   24    HB3  SER   3          1HB       SER   3  -3.945   0.800  10.414
   25    HG   SER   3           HG       SER   3  -6.111   0.655  11.287
   26    H    LEU   4           H        LEU   4  -1.845   1.774   9.805
   27    HA   LEU   4           HA       LEU   4  -0.861   3.499   7.786
   28    HB2  LEU   4          2HB       LEU   4  -0.147   0.700   8.645
   29    HB3  LEU   4          1HB       LEU   4   0.678   1.500   7.308
   30    HG   LEU   4           HG       LEU   4   0.396   2.956   9.924
   31   HD11  LEU   4          1HD1      LEU   4   1.261   0.763  10.577
   32   HD12  LEU   4          2HD1      LEU   4   2.556   1.957  10.654
   33   HD13  LEU   4          3HD1      LEU   4   2.472   0.834   9.297
   34   HD21  LEU   4          1HD2      LEU   4   2.503   2.865   7.737
   35   HD22  LEU   4          2HD2      LEU   4   2.591   3.878   9.177
   36   HD23  LEU   4          3HD2      LEU   4   1.318   4.147   7.988
   37    H    ILE   5           H        ILE   5  -0.455   2.891   5.527
   38    HA   ILE   5           HA       ILE   5  -2.746   2.310   4.116
   39    HB   ILE   5           HB       ILE   5  -1.458   3.097   2.531
   40   HG12  ILE   5          2HG1      ILE   5   0.244   0.607   2.872
   41   HG13  ILE   5          1HG1      ILE   5  -1.139   0.775   1.781
   42   HG21  ILE   5          1HG2      ILE   5  -0.083   4.038   4.324
   43   HG22  ILE   5          2HG2      ILE   5   0.923   3.612   2.943
   44   HG23  ILE   5          3HG2      ILE   5   0.887   2.566   4.362
   45   HD11  ILE   5          1HD1      ILE   5   0.185   2.798   0.803
   46   HD12  ILE   5          2HD1      ILE   5   0.697   1.169   0.368
   47   HD13  ILE   5          3HD1      ILE   5   1.576   2.067   1.602
   48    HA   PRO   6           HA       PRO   6  -3.122  -1.996   4.199
   49    HB2  PRO   6          2HB       PRO   6  -5.021  -2.292   2.367
   50    HB3  PRO   6          1HB       PRO   6  -5.346  -1.364   3.854
   51    HG2  PRO   6          2HG       PRO   6  -4.597  -0.388   1.155
   52    HG3  PRO   6          1HG       PRO   6  -5.894   0.193   2.211
   53    HD2  PRO   6          2HD       PRO   6  -3.429   1.406   2.014
   54    HD3  PRO   6          1HD       PRO   6  -4.421   1.470   3.487
   55    H    SER   7           H        SER   7  -2.820  -3.886   2.849
   56    HA   SER   7           HA       SER   7  -0.583  -3.781   1.189
   57    HB2  SER   7          2HB       SER   7  -1.480  -5.865   2.232
   58    HB3  SER   7          1HB       SER   7  -2.832  -5.816   1.095
   59    HG   SER   7           HG       SER   7  -0.661  -5.527  -0.337
   60    H    LEU   8           H        LEU   8  -3.720  -2.643   0.682
   61    HA   LEU   8           HA       LEU   8  -4.065  -3.229  -2.088
   62    HB2  LEU   8          2HB       LEU   8  -5.688  -2.195  -0.212
   63    HB3  LEU   8          1HB       LEU   8  -5.184  -0.692  -0.998
   64    HG   LEU   8           HG       LEU   8  -6.377  -3.105  -2.400
   65   HD11  LEU   8          1HD1      LEU   8  -8.344  -1.747  -2.692
   66   HD12  LEU   8          2HD1      LEU   8  -7.534  -0.332  -2.022
   67   HD13  LEU   8          3HD1      LEU   8  -7.931  -1.697  -0.978
   68   HD21  LEU   8          1HD2      LEU   8  -4.871  -2.033  -3.918
   69   HD22  LEU   8          2HD2      LEU   8  -5.356  -0.427  -3.374
   70   HD23  LEU   8          3HD2      LEU   8  -6.471  -1.411  -4.320
   71    H    VAL   9           H        VAL   9  -3.080  -0.171  -0.520
   72    HA   VAL   9           HA       VAL   9  -2.241   0.981  -3.007
   73    HB   VAL   9           HB       VAL   9  -1.714   1.840  -0.154
   74   HG11  VAL   9          1HG1      VAL   9  -1.329   4.080  -1.333
   75   HG12  VAL   9          2HG1      VAL   9  -1.201   3.155  -2.828
   76   HG13  VAL   9          3HG1      VAL   9  -0.053   2.877  -1.519
   77   HG21  VAL   9          1HG2      VAL   9  -4.117   1.745  -0.951
   78   HG22  VAL   9          2HG2      VAL   9  -3.681   2.922  -2.190
   79   HG23  VAL   9          3HG2      VAL   9  -3.564   3.353  -0.484
   80    H    GLY  10           H        GLY  10  -0.677  -0.764  -0.401
   81    HA2  GLY  10          2HA       GLY  10   2.001  -0.194  -1.250
   82    HA3  GLY  10          1HA       GLY  10   1.518  -1.396  -0.062
   83    H    GLY  11           H        GLY  11  -0.390  -2.643  -1.951
   84    HA2  GLY  11          2HA       GLY  11   1.217  -4.691  -2.963
   85    HA3  GLY  11          1HA       GLY  11  -0.432  -4.360  -3.481
   86    H    LEU  12           H        LEU  12  -0.206  -1.899  -4.676
   87    HA   LEU  12           HA       LEU  12   0.668  -2.510  -7.243
   88    HB2  LEU  12          2HB       LEU  12   0.197  -0.284  -7.820
   89    HB3  LEU  12          1HB       LEU  12  -0.858  -0.590  -6.435
   90    HG   LEU  12           HG       LEU  12   1.324   0.308  -5.116
   91   HD11  LEU  12          1HD1      LEU  12   1.358   2.186  -7.446
   92   HD12  LEU  12          2HD1      LEU  12   2.278   0.691  -7.590
   93   HD13  LEU  12          3HD1      LEU  12   2.630   1.818  -6.283
   94   HD21  LEU  12          1HD2      LEU  12   0.204   2.532  -5.091
   95   HD22  LEU  12          2HD2      LEU  12  -0.941   1.207  -4.890
   96   HD23  LEU  12          3HD2      LEU  12  -0.798   2.018  -6.448
   97    H    ILE  13           H        ILE  13   2.472  -1.346  -4.506
   98    HA   ILE  13           HA       ILE  13   4.742  -0.398  -5.975
   99    HB   ILE  13           HB       ILE  13   4.737  -1.379  -3.119
  100   HG12  ILE  13          2HG1      ILE  13   3.887   1.313  -4.240
  101   HG13  ILE  13          1HG1      ILE  13   2.852   0.156  -3.389
  102   HG21  ILE  13          1HG2      ILE  13   6.572   0.148  -2.854
  103   HG22  ILE  13          2HG2      ILE  13   6.285   0.863  -4.440
  104   HG23  ILE  13          3HG2      ILE  13   6.900  -0.785  -4.314
  105   HD11  ILE  13          1HD1      ILE  13   5.179   1.732  -2.267
  106   HD12  ILE  13          2HD1      ILE  13   4.463   0.358  -1.423
  107   HD13  ILE  13          3HD1      ILE  13   3.491   1.790  -1.761
  108    H    SER  14           H        SER  14   4.086  -3.377  -4.132
  109    HA   SER  14           HA       SER  14   6.531  -4.656  -4.736
  110    HB2  SER  14          2HB       SER  14   5.520  -6.643  -3.873
  111    HB3  SER  14          1HB       SER  14   4.875  -5.297  -2.927
  112    HG   SER  14           HG       SER  14   3.587  -7.067  -4.501
  113    H    ALA  15           H        ALA  15   3.360  -4.715  -6.325
  114    HA   ALA  15           HA       ALA  15   3.869  -6.706  -8.223
  115    HB1  ALA  15          1HB       ALA  15   2.226  -4.232  -8.765
  116    HB2  ALA  15          2HB       ALA  15   1.658  -5.538  -7.724
  117    HB3  ALA  15          3HB       ALA  15   2.003  -5.853  -9.424
  118    H    PHE  16           H        PHE  16   4.312  -3.176  -8.498
  119    HA   PHE  16           HA       PHE  16   5.393  -3.209 -11.102
  120    HB2  PHE  16          2HB       PHE  16   4.522  -1.179  -9.921
  121    HB3  PHE  16          1HB       PHE  16   5.970  -1.200  -8.914
  122    HD1  PHE  16          1HD       PHE  16   8.088  -0.455  -9.751
  123    HD2  PHE  16          2HD       PHE  16   4.729  -0.860 -12.398
  124    HE1  PHE  16          1HE       PHE  16   9.342   0.742 -11.526
  125    HE2  PHE  16          2HE       PHE  16   5.983   0.336 -14.173
  126    HZ   PHE  16           HZ       PHE  16   8.290   1.137 -13.736
  127    H    LYS  17           H        LYS  17   6.772  -3.804  -7.961
  128    HA   LYS  17           HA       LYS  17   8.865  -4.440  -7.273
  129    HB2  LYS  17          2HB       LYS  17   8.526  -6.335  -8.703
  130    HB3  LYS  17          1HB       LYS  17   8.910  -5.390 -10.140
  131    HG2  LYS  17          2HG       LYS  17  11.209  -5.202  -9.525
  132    HG3  LYS  17          1HG       LYS  17  10.890  -5.778  -7.888
  133    HD2  LYS  17          2HD       LYS  17  10.204  -7.982  -8.832
  134    HD3  LYS  17          1HD       LYS  17  10.640  -7.399 -10.439
  135    HE2  LYS  17          2HE       LYS  17  12.959  -7.030  -9.678
  136    HE3  LYS  17          1HE       LYS  17  12.525  -7.618  -8.072
  137    HZ1  LYS  17          1HZ       LYS  17  11.944  -9.304 -10.402
  138    HZ2  LYS  17          2HZ       LYS  17  12.312  -9.755  -8.806
  139    HZ3  LYS  17          3HZ       LYS  17  13.544  -9.217  -9.844
  140    HN1  NH2  17          1H        LYS  17  11.154  -3.776  -7.336
  141    HN2  NH2  17          2H        LYS  17  11.626  -2.422  -8.261
  Start of MODEL    3
    1    H1   PHE   1          1HT       PHE   1  -2.483  -3.007  10.844
    2    H2   PHE   1          2HT       PHE   1  -2.189  -3.014   9.171
    3    H3   PHE   1          3HT       PHE   1  -3.640  -2.373   9.779
    4    HA   PHE   1           HA       PHE   1  -1.040  -1.235  10.580
    5    HB2  PHE   1          2HB       PHE   1  -1.594   0.483   8.712
    6    HB3  PHE   1          1HB       PHE   1  -0.858  -1.047   8.236
    7    HD1  PHE   1          1HD       PHE   1  -1.963  -2.512   6.747
    8    HD2  PHE   1          2HD       PHE   1  -4.151   0.670   8.626
    9    HE1  PHE   1          1HE       PHE   1  -3.920  -3.009   5.308
   10    HE2  PHE   1          2HE       PHE   1  -6.109   0.173   7.188
   11    HZ   PHE   1           HZ       PHE   1  -5.994  -1.666   5.528
   12    H    PHE   2           H        PHE   2  -1.818   1.379  10.280
   13    HA   PHE   2           HA       PHE   2  -4.328   1.631  11.821
   14    HB2  PHE   2          2HB       PHE   2  -2.533   1.749  13.445
   15    HB3  PHE   2          1HB       PHE   2  -1.666   2.926  12.457
   16    HD1  PHE   2          1HD       PHE   2  -1.902   5.175  13.026
   17    HD2  PHE   2          2HD       PHE   2  -5.093   2.441  13.924
   18    HE1  PHE   2          1HE       PHE   2  -3.172   7.011  14.105
   19    HE2  PHE   2          2HE       PHE   2  -6.362   4.278  15.003
   20    HZ   PHE   2           HZ       PHE   2  -5.402   6.563  15.093
   21    H    SER   3           H        SER   3  -5.596   2.653  10.377
   22    HA   SER   3           HA       SER   3  -6.363   4.252   8.912
   23    HB2  SER   3          2HB       SER   3  -5.924   5.676  10.906
   24    HB3  SER   3          1HB       SER   3  -4.298   5.988  10.289
   25    HG   SER   3           HG       SER   3  -6.710   6.504   8.874
   26    H    LEU   4           H        LEU   4  -5.003   6.408   7.715
   27    HA   LEU   4           HA       LEU   4  -3.735   6.901   5.865
   28    HB2  LEU   4          2HB       LEU   4  -1.919   4.640   6.707
   29    HB3  LEU   4          1HB       LEU   4  -1.500   6.084   5.785
   30    HG   LEU   4           HG       LEU   4  -2.440   6.064   8.670
   31   HD11  LEU   4          1HD1      LEU   4  -0.103   6.759   9.150
   32   HD12  LEU   4          2HD1      LEU   4   0.297   6.532   7.448
   33   HD13  LEU   4          3HD1      LEU   4  -0.177   5.149   8.435
   34   HD21  LEU   4          1HD2      LEU   4  -1.663   8.243   6.726
   35   HD22  LEU   4          2HD2      LEU   4  -1.542   8.485   8.468
   36   HD23  LEU   4          3HD2      LEU   4  -3.107   8.137   7.734
   37    H    ILE   5           H        ILE   5  -2.451   5.543   3.974
   38    HA   ILE   5           HA       ILE   5  -4.417   4.345   2.460
   39    HB   ILE   5           HB       ILE   5  -2.850   4.726   0.984
   40   HG12  ILE   5          2HG1      ILE   5  -1.264   2.493   2.298
   41   HG13  ILE   5          1HG1      ILE   5  -2.509   2.267   1.061
   42   HG21  ILE   5          1HG2      ILE   5  -0.912   4.818   3.302
   43   HG22  ILE   5          2HG2      ILE   5  -1.733   6.189   2.556
   44   HG23  ILE   5          3HG2      ILE   5  -0.507   5.301   1.656
   45   HD11  ILE   5          1HD1      ILE   5  -1.048   3.953  -0.326
   46   HD12  ILE   5          2HD1      ILE   5  -0.555   2.264  -0.221
   47   HD13  ILE   5          3HD1      ILE   5   0.230   3.475   0.791
   48    HA   PRO   6           HA       PRO   6  -4.744   0.314   3.976
   49    HB2  PRO   6          2HB       PRO   6  -6.383  -0.672   2.135
   50    HB3  PRO   6          1HB       PRO   6  -6.910   0.672   3.180
   51    HG2  PRO   6          2HG       PRO   6  -5.858   0.739   0.410
   52    HG3  PRO   6          1HG       PRO   6  -7.262   1.589   1.076
   53    HD2  PRO   6          2HD       PRO   6  -4.764   2.733   0.739
   54    HD3  PRO   6          1HD       PRO   6  -5.938   3.291   1.949
   55    H    SER   7           H        SER   7  -4.244  -1.897   3.381
   56    HA   SER   7           HA       SER   7  -1.808  -2.218   2.062
   57    HB2  SER   7          2HB       SER   7  -2.505  -4.665   1.929
   58    HB3  SER   7          1HB       SER   7  -2.536  -3.952   3.546
   59    HG   SER   7           HG       SER   7  -4.873  -3.447   2.495
   60    H    LEU   8           H        LEU   8  -4.867  -1.486   0.842
   61    HA   LEU   8           HA       LEU   8  -4.851  -2.959  -1.598
   62    HB2  LEU   8          2HB       LEU   8  -6.684  -1.397  -0.345
   63    HB3  LEU   8          1HB       LEU   8  -6.134  -0.285  -1.605
   64    HG   LEU   8           HG       LEU   8  -6.438  -2.365  -3.189
   65   HD11  LEU   8          1HD1      LEU   8  -8.282  -3.840  -2.445
   66   HD12  LEU   8          2HD1      LEU   8  -8.280  -3.042  -0.874
   67   HD13  LEU   8          3HD1      LEU   8  -6.882  -3.985  -1.383
   68   HD21  LEU   8          1HD2      LEU   8  -7.761  -0.287  -3.315
   69   HD22  LEU   8          2HD2      LEU   8  -8.799  -0.863  -2.011
   70   HD23  LEU   8          3HD2      LEU   8  -8.793  -1.694  -3.565
   71    H    VAL   9           H        VAL   9  -4.092   0.487  -1.021
   72    HA   VAL   9           HA       VAL   9  -2.975   0.818  -3.641
   73    HB   VAL   9           HB       VAL   9  -2.712   2.573  -1.190
   74   HG11  VAL   9          1HG1      VAL   9  -2.331   4.333  -2.987
   75   HG12  VAL   9          2HG1      VAL   9  -2.146   3.005  -4.132
   76   HG13  VAL   9          3HG1      VAL   9  -1.020   3.170  -2.785
   77   HG21  VAL   9          1HG2      VAL   9  -4.531   3.875  -2.364
   78   HG22  VAL   9          2HG2      VAL   9  -5.046   2.299  -1.763
   79   HG23  VAL   9          3HG2      VAL   9  -4.700   2.518  -3.479
   80    H    GLY  10           H        GLY  10  -1.707   0.064  -0.459
   81    HA2  GLY  10          2HA       GLY  10   1.042   0.481  -1.103
   82    HA3  GLY  10          1HA       GLY  10   0.423  -0.402   0.288
   83    H    GLY  11           H        GLY  11  -1.197  -2.175  -1.447
   84    HA2  GLY  11          2HA       GLY  11   0.535  -4.346  -1.670
   85    HA3  GLY  11          1HA       GLY  11  -1.012  -4.213  -2.497
   86    H    LEU  12           H        LEU  12  -0.447  -1.985  -4.140
   87    HA   LEU  12           HA       LEU  12   0.671  -3.193  -6.382
   88    HB2  LEU  12          2HB       LEU  12   0.481  -1.118  -7.459
   89    HB3  LEU  12          1HB       LEU  12  -0.744  -1.035  -6.189
   90    HG   LEU  12           HG       LEU  12   1.209   0.007  -4.759
   91   HD11  LEU  12          1HD1      LEU  12   2.518  -0.317  -7.268
   92   HD12  LEU  12          2HD1      LEU  12   3.128   0.497  -5.831
   93   HD13  LEU  12          3HD1      LEU  12   2.250   1.412  -7.055
   94   HD21  LEU  12          1HD2      LEU  12   0.505   2.238  -5.482
   95   HD22  LEU  12          2HD2      LEU  12  -0.886   1.155  -5.479
   96   HD23  LEU  12          3HD2      LEU  12  -0.102   1.579  -7.000
   97    H    ILE  13           H        ILE  13   2.226  -1.587  -3.716
   98    HA   ILE  13           HA       ILE  13   4.699  -0.952  -4.891
   99    HB   ILE  13           HB       ILE  13   4.201  -1.862  -2.047
  100   HG12  ILE  13          2HG1      ILE  13   4.193   0.955  -3.175
  101   HG13  ILE  13          1HG1      ILE  13   2.719   0.022  -2.872
  102   HG21  ILE  13          1HG2      ILE  13   6.564  -1.791  -2.571
  103   HG22  ILE  13          2HG2      ILE  13   6.177  -0.354  -1.625
  104   HG23  ILE  13          3HG2      ILE  13   6.387  -0.231  -3.371
  105   HD11  ILE  13          1HD1      ILE  13   4.819   0.593  -0.759
  106   HD12  ILE  13          2HD1      ILE  13   3.231  -0.134  -0.512
  107   HD13  ILE  13          3HD1      ILE  13   3.361   1.561  -0.981
  108    H    SER  14           H        SER  14   3.499  -3.953  -3.451
  109    HA   SER  14           HA       SER  14   5.874  -5.423  -3.421
  110    HB2  SER  14          2HB       SER  14   4.518  -7.363  -3.251
  111    HB3  SER  14          1HB       SER  14   3.589  -6.073  -2.478
  112    HG   SER  14           HG       SER  14   2.256  -7.165  -3.905
  113    H    ALA  15           H        ALA  15   3.378  -5.307  -5.972
  114    HA   ALA  15           HA       ALA  15   4.714  -6.926  -7.831
  115    HB1  ALA  15          1HB       ALA  15   2.298  -6.101  -7.902
  116    HB2  ALA  15          2HB       ALA  15   3.163  -6.119  -9.438
  117    HB3  ALA  15          3HB       ALA  15   2.939  -4.601  -8.571
  118    H    PHE  16           H        PHE  16   4.719  -3.386  -7.453
  119    HA   PHE  16           HA       PHE  16   6.438  -2.833  -9.616
  120    HB2  PHE  16          2HB       PHE  16   4.964  -1.263  -8.075
  121    HB3  PHE  16          1HB       PHE  16   6.466  -1.111  -7.167
  122    HD1  PHE  16          1HD       PHE  16   4.607   0.131  -9.922
  123    HD2  PHE  16          2HD       PHE  16   8.625  -0.632  -8.609
  124    HE1  PHE  16          1HE       PHE  16   5.462   1.744 -11.601
  125    HE2  PHE  16          2HE       PHE  16   9.480   0.981 -10.288
  126    HZ   PHE  16           HZ       PHE  16   7.898   2.168 -11.783
  127    H    LYS  17           H        LYS  17   7.051  -3.595  -6.225
  128    HA   LYS  17           HA       LYS  17   9.793  -2.998  -6.140
  129    HB2  LYS  17          2HB       LYS  17   8.352  -3.527  -4.161
  130    HB3  LYS  17          1HB       LYS  17   8.383  -5.222  -4.650
  131    HG2  LYS  17          2HG       LYS  17  10.772  -5.341  -4.375
  132    HG3  LYS  17          1HG       LYS  17  10.890  -3.596  -4.155
  133    HD2  LYS  17          2HD       LYS  17  10.992  -4.404  -1.952
  134    HD3  LYS  17          1HD       LYS  17   9.292  -3.973  -2.128
  135    HE2  LYS  17          2HE       LYS  17   9.554  -6.206  -1.092
  136    HE3  LYS  17          1HE       LYS  17   8.738  -6.313  -2.650
  137    HZ1  LYS  17          1HZ       LYS  17  11.468  -6.465  -3.141
  138    HZ2  LYS  17          2HZ       LYS  17  10.313  -7.700  -3.305
  139    HZ3  LYS  17          3HZ       LYS  17  11.155  -7.511  -1.843
  140    HN1  NH2  17          1H        LYS  17  11.655  -4.497  -6.291
  141    HN2  NH2  17          2H        LYS  17  11.567  -5.858  -7.317
  Start of MODEL    4
    1    H1   PHE   1          1HT       PHE   1 -11.888   6.246  12.668
    2    H2   PHE   1          2HT       PHE   1 -11.154   5.401  11.389
    3    H3   PHE   1          3HT       PHE   1 -10.928   7.078  11.544
    4    HA   PHE   1           HA       PHE   1  -9.327   6.880  13.075
    5    HB2  PHE   1          2HB       PHE   1  -9.445   5.374  14.944
    6    HB3  PHE   1          1HB       PHE   1 -11.082   5.967  14.666
    7    HD1  PHE   1          1HD       PHE   1 -12.530   4.525  12.979
    8    HD2  PHE   1          2HD       PHE   1  -9.104   3.066  15.123
    9    HE1  PHE   1          1HE       PHE   1 -13.323   2.195  12.663
   10    HE2  PHE   1          2HE       PHE   1  -9.897   0.739  14.806
   11    HZ   PHE   1           HZ       PHE   1 -12.005   0.303  13.577
   12    H    PHE   2           H        PHE   2  -9.718   5.428  10.429
   13    HA   PHE   2           HA       PHE   2  -8.582   2.977  10.200
   14    HB2  PHE   2          2HB       PHE   2  -7.505   5.100   8.392
   15    HB3  PHE   2          1HB       PHE   2  -8.149   3.508   8.000
   16    HD1  PHE   2          1HD       PHE   2 -10.551   3.121   7.798
   17    HD2  PHE   2          2HD       PHE   2  -8.996   7.004   8.779
   18    HE1  PHE   2          1HE       PHE   2 -12.765   4.129   7.317
   19    HE2  PHE   2          2HE       PHE   2 -11.211   8.012   8.298
   20    HZ   PHE   2           HZ       PHE   2 -13.095   6.574   7.567
   21    H    SER   3           H        SER   3  -6.714   2.039  10.728
   22    HA   SER   3           HA       SER   3  -4.641   3.565  12.027
   23    HB2  SER   3          2HB       SER   3  -4.964   0.640  11.349
   24    HB3  SER   3          1HB       SER   3  -3.496   1.283  12.095
   25    HG   SER   3           HG       SER   3  -6.093   1.046  13.109
   26    H    LEU   4           H        LEU   4  -2.305   2.393  11.273
   27    HA   LEU   4           HA       LEU   4  -1.351   3.880   9.190
   28    HB2  LEU   4          2HB       LEU   4  -0.509   1.135  10.126
   29    HB3  LEU   4          1HB       LEU   4   0.395   2.046   8.919
   30    HG   LEU   4           HG       LEU   4  -0.333   3.340  11.541
   31   HD11  LEU   4          1HD1      LEU   4   0.734   1.297  12.249
   32   HD12  LEU   4          2HD1      LEU   4   1.933   2.585  12.366
   33   HD13  LEU   4          3HD1      LEU   4   1.980   1.457  11.010
   34   HD21  LEU   4          1HD2      LEU   4   1.880   3.665   9.489
   35   HD22  LEU   4          2HD2      LEU   4   1.876   4.494  11.046
   36   HD23  LEU   4          3HD2      LEU   4   0.599   4.815   9.875
   37    H    ILE   5           H        ILE   5  -0.935   3.515   6.971
   38    HA   ILE   5           HA       ILE   5  -3.016   2.509   5.476
   39    HB   ILE   5           HB       ILE   5  -1.918   3.708   4.017
   40   HG12  ILE   5          2HG1      ILE   5  -1.204   1.456   3.137
   41   HG13  ILE   5          1HG1      ILE   5  -0.101   2.769   2.723
   42   HG21  ILE   5          1HG2      ILE   5   0.441   4.474   4.428
   43   HG22  ILE   5          2HG2      ILE   5   0.463   3.432   5.850
   44   HG23  ILE   5          3HG2      ILE   5  -0.671   4.781   5.762
   45   HD11  ILE   5          1HD1      ILE   5   0.704   1.676   5.260
   46   HD12  ILE   5          2HD1      ILE   5   1.592   1.701   3.739
   47   HD13  ILE   5          3HD1      ILE   5   0.512   0.358   4.105
   48    HA   PRO   6           HA       PRO   6  -2.478  -1.765   5.361
   49    HB2  PRO   6          2HB       PRO   6  -4.214  -2.359   3.433
   50    HB3  PRO   6          1HB       PRO   6  -4.767  -1.619   4.958
   51    HG2  PRO   6          2HG       PRO   6  -4.201  -0.344   2.344
   52    HG3  PRO   6          1HG       PRO   6  -5.603  -0.112   3.398
   53    HD2  PRO   6          2HD       PRO   6  -3.447   1.599   3.316
   54    HD3  PRO   6          1HD       PRO   6  -4.452   1.379   4.764
   55    H    SER   7           H        SER   7  -1.781  -3.499   3.950
   56    HA   SER   7           HA       SER   7   0.478  -2.918   2.442
   57    HB2  SER   7          2HB       SER   7   0.218  -5.221   1.523
   58    HB3  SER   7          1HB       SER   7   0.038  -5.166   3.280
   59    HG   SER   7           HG       SER   7  -1.605  -6.366   2.031
   60    H    LEU   8           H        LEU   8  -2.768  -2.296   1.734
   61    HA   LEU   8           HA       LEU   8  -3.017  -2.848  -0.991
   62    HB2  LEU   8          2HB       LEU   8  -4.716  -1.790   0.678
   63    HB3  LEU   8          1HB       LEU   8  -4.028  -0.252   0.134
   64    HG   LEU   8           HG       LEU   8  -4.416  -1.316  -2.274
   65   HD11  LEU   8          1HD1      LEU   8  -6.471  -2.684  -2.315
   66   HD12  LEU   8          2HD1      LEU   8  -6.509  -2.684  -0.553
   67   HD13  LEU   8          3HD1      LEU   8  -5.195  -3.494  -1.406
   68   HD21  LEU   8          1HD2      LEU   8  -6.651  -0.183  -0.559
   69   HD22  LEU   8          2HD2      LEU   8  -6.628  -0.207  -2.322
   70   HD23  LEU   8          3HD2      LEU   8  -5.450   0.762  -1.438
   71    H    VAL   9           H        VAL   9  -1.419  -0.106   0.580
   72    HA   VAL   9           HA       VAL   9  -0.851   1.267  -1.871
   73    HB   VAL   9           HB       VAL   9   0.384   1.525   0.878
   74   HG11  VAL   9          1HG1      VAL   9   0.644   3.165  -1.651
   75   HG12  VAL   9          2HG1      VAL   9   1.935   2.447  -0.689
   76   HG13  VAL   9          3HG1      VAL   9   1.023   3.817  -0.056
   77   HG21  VAL   9          1HG2      VAL   9  -1.069   3.653   0.803
   78   HG22  VAL   9          2HG2      VAL   9  -1.918   2.123   1.015
   79   HG23  VAL   9          3HG2      VAL   9  -1.889   2.903  -0.566
   80    H    GLY  10           H        GLY  10   0.877  -1.044   0.152
   81    HA2  GLY  10          2HA       GLY  10   3.358  -0.829  -1.256
   82    HA3  GLY  10          1HA       GLY  10   2.923  -2.078  -0.097
   83    H    GLY  11           H        GLY  11   0.455  -2.734  -1.610
   84    HA2  GLY  11          2HA       GLY  11   1.371  -4.897  -3.101
   85    HA3  GLY  11          1HA       GLY  11  -0.235  -4.194  -3.247
   86    H    LEU  12           H        LEU  12   0.277  -1.708  -4.291
   87    HA   LEU  12           HA       LEU  12   0.516  -2.187  -7.019
   88    HB2  LEU  12          2HB       LEU  12   0.580   0.183  -7.320
   89    HB3  LEU  12          1HB       LEU  12  -0.445  -0.131  -5.913
   90    HG   LEU  12           HG       LEU  12   2.024   0.087  -4.728
   91   HD11  LEU  12          1HD1      LEU  12   2.003   2.316  -6.759
   92   HD12  LEU  12          2HD1      LEU  12   2.832   0.800  -7.103
   93   HD13  LEU  12          3HD1      LEU  12   3.324   1.778  -5.722
   94   HD21  LEU  12          1HD2      LEU  12  -0.098   1.208  -4.062
   95   HD22  LEU  12          2HD2      LEU  12   0.137   2.381  -5.358
   96   HD23  LEU  12          3HD2      LEU  12   1.276   2.311  -4.014
   97    H    ILE  13           H        ILE  13   3.010  -1.677  -4.636
   98    HA   ILE  13           HA       ILE  13   5.112  -0.958  -6.404
   99    HB   ILE  13           HB       ILE  13   5.411  -2.467  -3.803
  100   HG12  ILE  13          2HG1      ILE  13   5.086   0.518  -4.269
  101   HG13  ILE  13          1HG1      ILE  13   3.895  -0.537  -3.495
  102   HG21  ILE  13          1HG2      ILE  13   7.570  -1.447  -3.722
  103   HG22  ILE  13          2HG2      ILE  13   7.177  -0.346  -5.042
  104   HG23  ILE  13          3HG2      ILE  13   7.396  -2.066  -5.364
  105   HD11  ILE  13          1HD1      ILE  13   5.163   0.571  -1.751
  106   HD12  ILE  13          2HD1      ILE  13   6.688   0.095  -2.498
  107   HD13  ILE  13          3HD1      ILE  13   5.638  -1.127  -1.780
  108    H    SER  14           H        SER  14   3.915  -4.066  -5.204
  109    HA   SER  14           HA       SER  14   5.947  -5.696  -6.283
  110    HB2  SER  14          2HB       SER  14   4.309  -6.486  -4.612
  111    HB3  SER  14          1HB       SER  14   3.028  -6.369  -5.825
  112    HG   SER  14           HG       SER  14   5.389  -7.940  -6.056
  113    H    ALA  15           H        ALA  15   2.812  -4.667  -7.614
  114    HA   ALA  15           HA       ALA  15   2.964  -6.102 -10.030
  115    HB1  ALA  15          1HB       ALA  15   0.903  -5.016  -9.173
  116    HB2  ALA  15          2HB       ALA  15   1.253  -4.575 -10.845
  117    HB3  ALA  15          3HB       ALA  15   1.607  -3.442  -9.541
  118    H    PHE  16           H        PHE  16   4.101  -2.869  -9.141
  119    HA   PHE  16           HA       PHE  16   4.917  -2.049 -11.711
  120    HB2  PHE  16          2HB       PHE  16   4.681  -0.452  -9.893
  121    HB3  PHE  16          1HB       PHE  16   5.961  -1.257  -8.983
  122    HD1  PHE  16          1HD       PHE  16   8.088  -0.312  -9.107
  123    HD2  PHE  16          2HD       PHE  16   5.405   0.128 -12.434
  124    HE1  PHE  16          1HE       PHE  16   9.784   1.052 -10.295
  125    HE2  PHE  16          2HE       PHE  16   7.102   1.492 -13.621
  126    HZ   PHE  16           HZ       PHE  16   9.291   1.955 -12.551
  127    H    LYS  17           H        LYS  17   6.447  -4.029  -9.259
  128    HA   LYS  17           HA       LYS  17   8.281  -5.159 -11.095
  129    HB2  LYS  17          2HB       LYS  17  10.361  -4.259 -10.316
  130    HB3  LYS  17          1HB       LYS  17   9.324  -2.891 -10.722
  131    HG2  LYS  17          2HG       LYS  17   8.619  -2.898  -8.252
  132    HG3  LYS  17          1HG       LYS  17   9.991  -3.971  -7.979
  133    HD2  LYS  17          2HD       LYS  17  10.210  -1.263  -9.323
  134    HD3  LYS  17          1HD       LYS  17  10.512  -1.534  -7.608
  135    HE2  LYS  17          2HE       LYS  17  12.030  -2.707  -9.951
  136    HE3  LYS  17          1HE       LYS  17  12.646  -1.619  -8.709
  137    HZ1  LYS  17          1HZ       LYS  17  13.356  -3.639  -7.941
  138    HZ2  LYS  17          2HZ       LYS  17  11.996  -4.477  -8.521
  139    HZ3  LYS  17          3HZ       LYS  17  11.872  -3.510  -7.129
  140    HN1  NH2  17          1H        LYS  17   9.317  -7.025 -10.160
  141    HN2  NH2  17          2H        LYS  17   8.985  -7.531  -8.566
  Start of MODEL    5
    1    H1   PHE   1          1HT       PHE   1  -5.172  -2.484   9.107
    2    H2   PHE   1          2HT       PHE   1  -4.099  -3.577   9.843
    3    H3   PHE   1          3HT       PHE   1  -3.503  -2.348   8.832
    4    HA   PHE   1           HA       PHE   1  -4.052  -2.274  11.613
    5    HB2  PHE   1          2HB       PHE   1  -3.042   0.014   9.943
    6    HB3  PHE   1          1HB       PHE   1  -2.523  -0.503  11.548
    7    HD1  PHE   1          1HD       PHE   1  -1.980  -3.306  11.340
    8    HD2  PHE   1          2HD       PHE   1  -1.277  -0.226   8.428
    9    HE1  PHE   1          1HE       PHE   1  -0.185  -4.679  10.321
   10    HE2  PHE   1          2HE       PHE   1   0.519  -1.600   7.409
   11    HZ   PHE   1           HZ       PHE   1   1.064  -3.827   8.356
   12    H    PHE   2           H        PHE   2  -4.202   0.777  11.321
   13    HA   PHE   2           HA       PHE   2  -6.886   1.285  10.391
   14    HB2  PHE   2          2HB       PHE   2  -7.332   0.212  12.577
   15    HB3  PHE   2          1HB       PHE   2  -6.329   1.431  13.363
   16    HD1  PHE   2          1HD       PHE   2  -7.337   3.393  14.145
   17    HD2  PHE   2          2HD       PHE   2  -9.233   1.158  11.004
   18    HE1  PHE   2          1HE       PHE   2  -9.272   4.941  14.211
   19    HE2  PHE   2          2HE       PHE   2 -11.168   2.707  11.071
   20    HZ   PHE   2           HZ       PHE   2 -11.188   4.598  12.674
   21    H    SER   3           H        SER   3  -4.445   2.388   9.666
   22    HA   SER   3           HA       SER   3  -4.963   5.173  10.089
   23    HB2  SER   3          2HB       SER   3  -2.278   4.292  11.116
   24    HB3  SER   3          1HB       SER   3  -3.128   5.818  11.385
   25    HG   SER   3           HG       SER   3  -3.883   4.913  13.115
   26    H    LEU   4           H        LEU   4  -3.483   6.540   8.856
   27    HA   LEU   4           HA       LEU   4  -2.481   7.033   6.842
   28    HB2  LEU   4          2HB       LEU   4  -0.843   4.582   7.530
   29    HB3  LEU   4          1HB       LEU   4  -0.374   5.877   6.429
   30    HG   LEU   4           HG       LEU   4  -1.064   6.392   9.330
   31   HD11  LEU   4          1HD1      LEU   4   0.798   4.913   9.457
   32   HD12  LEU   4          2HD1      LEU   4   1.482   6.533   9.585
   33   HD13  LEU   4          3HD1      LEU   4   1.577   5.653   8.059
   34   HD21  LEU   4          1HD2      LEU   4   0.272   7.941   7.102
   35   HD22  LEU   4          2HD2      LEU   4   0.495   8.385   8.793
   36   HD23  LEU   4          3HD2      LEU   4  -1.117   8.411   8.081
   37    H    ILE   5           H        ILE   5  -1.739   5.988   4.660
   38    HA   ILE   5           HA       ILE   5  -3.931   4.858   3.433
   39    HB   ILE   5           HB       ILE   5  -2.729   5.524   1.733
   40   HG12  ILE   5          2HG1      ILE   5  -2.242   3.068   1.468
   41   HG13  ILE   5          1HG1      ILE   5  -1.010   4.117   0.765
   42   HG21  ILE   5          1HG2      ILE   5  -1.378   6.883   3.181
   43   HG22  ILE   5          2HG2      ILE   5  -0.315   6.156   1.976
   44   HG23  ILE   5          3HG2      ILE   5  -0.369   5.501   3.612
   45   HD11  ILE   5          1HD1      ILE   5  -0.316   3.641   3.513
   46   HD12  ILE   5          2HD1      ILE   5   0.562   3.170   2.059
   47   HD13  ILE   5          3HD1      ILE   5  -0.655   2.093   2.739
   48    HA   PRO   6           HA       PRO   6  -3.829   0.664   4.417
   49    HB2  PRO   6          2HB       PRO   6  -5.601  -0.243   2.650
   50    HB3  PRO   6          1HB       PRO   6  -6.087   0.915   3.915
   51    HG2  PRO   6          2HG       PRO   6  -5.380   1.413   1.081
   52    HG3  PRO   6          1HG       PRO   6  -6.760   2.041   1.996
   53    HD2  PRO   6          2HD       PRO   6  -4.447   3.465   1.549
   54    HD3  PRO   6          1HD       PRO   6  -5.476   3.716   2.975
   55    H    SER   7           H        SER   7  -3.289  -1.431   3.537
   56    HA   SER   7           HA       SER   7  -0.981  -1.479   1.989
   57    HB2  SER   7          2HB       SER   7  -1.823  -3.350   3.447
   58    HB3  SER   7          1HB       SER   7  -3.020  -3.712   2.197
   59    HG   SER   7           HG       SER   7  -0.989  -3.685   0.793
   60    H    LEU   8           H        LEU   8  -4.155  -0.785   1.065
   61    HA   LEU   8           HA       LEU   8  -4.456  -2.025  -1.418
   62    HB2  LEU   8          2HB       LEU   8  -6.040  -0.398  -0.117
   63    HB3  LEU   8          1HB       LEU   8  -5.234   0.855  -1.073
   64    HG   LEU   8           HG       LEU   8  -5.747  -0.750  -3.096
   65   HD11  LEU   8          1HD1      LEU   8  -7.941  -1.933  -2.724
   66   HD12  LEU   8          2HD1      LEU   8  -7.756  -1.628  -0.999
   67   HD13  LEU   8          3HD1      LEU   8  -6.592  -2.647  -1.843
   68   HD21  LEU   8          1HD2      LEU   8  -7.846   0.912  -1.669
   69   HD22  LEU   8          2HD2      LEU   8  -7.991   0.352  -3.335
   70   HD23  LEU   8          3HD2      LEU   8  -6.706   1.475  -2.891
   71    H    VAL   9           H        VAL   9  -2.749   0.992  -0.647
   72    HA   VAL   9           HA       VAL   9  -1.970   1.489  -3.364
   73    HB   VAL   9           HB       VAL   9  -0.684   2.573  -0.855
   74   HG11  VAL   9          1HG1      VAL   9   0.510   2.961  -2.996
   75   HG12  VAL   9          2HG1      VAL   9  -0.126   4.462  -2.325
   76   HG13  VAL   9          3HG1      VAL   9  -0.954   3.677  -3.669
   77   HG21  VAL   9          1HG2      VAL   9  -2.304   4.466  -1.152
   78   HG22  VAL   9          2HG2      VAL   9  -3.088   2.949  -0.714
   79   HG23  VAL   9          3HG2      VAL   9  -3.131   3.514  -2.384
   80    H    GLY  10           H        GLY  10  -0.209   0.341  -0.486
   81    HA2  GLY  10          2HA       GLY  10   2.274  -0.108  -1.670
   82    HA3  GLY  10          1HA       GLY  10   1.661  -0.981  -0.271
   83    H    GLY  11           H        GLY  11  -0.667  -1.975  -1.841
   84    HA2  GLY  11          2HA       GLY  11   0.280  -4.489  -2.554
   85    HA3  GLY  11          1HA       GLY  11  -1.247  -3.808  -3.104
   86    H    LEU  12           H        LEU  12  -0.473  -1.740  -4.725
   87    HA   LEU  12           HA       LEU  12   0.336  -3.130  -7.072
   88    HB2  LEU  12          2HB       LEU  12  -0.058  -1.126  -8.241
   89    HB3  LEU  12          1HB       LEU  12  -1.216  -1.095  -6.907
   90    HG   LEU  12           HG       LEU  12   0.936   0.131  -5.738
   91   HD11  LEU  12          1HD1      LEU  12   0.886   1.293  -8.520
   92   HD12  LEU  12          2HD1      LEU  12   2.014   0.004  -8.105
   93   HD13  LEU  12          3HD1      LEU  12   2.076   1.540  -7.242
   94   HD21  LEU  12          1HD2      LEU  12  -0.274   2.278  -6.309
   95   HD22  LEU  12          2HD2      LEU  12  -1.307   1.013  -5.644
   96   HD23  LEU  12          3HD2      LEU  12  -1.311   1.332  -7.378
   97    H    ILE  13           H        ILE  13   2.038  -1.273  -4.669
   98    HA   ILE  13           HA       ILE  13   4.377  -0.769  -6.256
   99    HB   ILE  13           HB       ILE  13   4.181  -0.856  -3.237
  100   HG12  ILE  13          2HG1      ILE  13   3.541   1.362  -5.208
  101   HG13  ILE  13          1HG1      ILE  13   2.434   0.617  -4.047
  102   HG21  ILE  13          1HG2      ILE  13   6.453  -0.751  -4.403
  103   HG22  ILE  13          2HG2      ILE  13   6.105   0.568  -3.286
  104   HG23  ILE  13          3HG2      ILE  13   5.956   0.823  -5.025
  105   HD11  ILE  13          1HD1      ILE  13   3.127   2.675  -3.051
  106   HD12  ILE  13          2HD1      ILE  13   4.816   2.387  -3.465
  107   HD13  ILE  13          3HD1      ILE  13   4.035   1.411  -2.222
  108    H    SER  14           H        SER  14   3.662  -3.059  -3.611
  109    HA   SER  14           HA       SER  14   6.080  -4.457  -3.661
  110    HB2  SER  14          2HB       SER  14   3.353  -5.621  -3.058
  111    HB3  SER  14          1HB       SER  14   4.916  -6.229  -2.499
  112    HG   SER  14           HG       SER  14   5.036  -4.637  -1.084
  113    H    ALA  15           H        ALA  15   3.040  -5.154  -5.386
  114    HA   ALA  15           HA       ALA  15   3.826  -7.478  -6.700
  115    HB1  ALA  15          1HB       ALA  15   1.533  -6.818  -6.811
  116    HB2  ALA  15          2HB       ALA  15   2.148  -6.758  -8.462
  117    HB3  ALA  15          3HB       ALA  15   1.947  -5.268  -7.542
  118    H    PHE  16           H        PHE  16   4.377  -4.094  -7.555
  119    HA   PHE  16           HA       PHE  16   5.460  -4.531 -10.122
  120    HB2  PHE  16          2HB       PHE  16   4.725  -2.316  -9.280
  121    HB3  PHE  16          1HB       PHE  16   6.102  -2.300  -8.180
  122    HD1  PHE  16          1HD       PHE  16   8.210  -1.542  -8.910
  123    HD2  PHE  16          2HD       PHE  16   5.210  -2.597 -11.799
  124    HE1  PHE  16          1HE       PHE  16   9.656  -0.673 -10.728
  125    HE2  PHE  16          2HE       PHE  16   6.656  -1.728 -13.617
  126    HZ   PHE  16           HZ       PHE  16   8.879  -0.767 -13.082
  127    H    LYS  17           H        LYS  17   6.910  -4.475  -6.902
  128    HA   LYS  17           HA       LYS  17   9.055  -6.159  -7.633
  129    HB2  LYS  17          2HB       LYS  17   9.918  -4.215  -8.817
  130    HB3  LYS  17          1HB       LYS  17   9.726  -3.218  -7.373
  131    HG2  LYS  17          2HG       LYS  17  11.422  -4.414  -6.200
  132    HG3  LYS  17          1HG       LYS  17  11.434  -5.714  -7.394
  133    HD2  LYS  17          2HD       LYS  17  13.375  -4.223  -7.702
  134    HD3  LYS  17          1HD       LYS  17  12.296  -4.147  -9.095
  135    HE2  LYS  17          2HE       LYS  17  11.449  -2.036  -8.481
  136    HE3  LYS  17          1HE       LYS  17  12.007  -2.196  -6.815
  137    HZ1  LYS  17          1HZ       LYS  17  14.291  -2.094  -7.621
  138    HZ2  LYS  17          2HZ       LYS  17  13.423  -0.699  -8.052
  139    HZ3  LYS  17          3HZ       LYS  17  13.735  -1.900  -9.211
  140    HN1  NH2  17          1H        LYS  17   9.979  -7.004  -5.727
  141    HN2  NH2  17          2H        LYS  17   9.673  -6.371  -4.173
  Start of MODEL    6
    1    H1   PHE   1          1HT       PHE   1   4.125   5.316   7.687
    2    H2   PHE   1          2HT       PHE   1   3.221   5.437   9.121
    3    H3   PHE   1          3HT       PHE   1   2.516   5.850   7.631
    4    HA   PHE   1           HA       PHE   1   3.337   3.308   7.198
    5    HB2  PHE   1          2HB       PHE   1   2.406   3.667  10.055
    6    HB3  PHE   1          1HB       PHE   1   2.314   2.121   9.211
    7    HD1  PHE   1          1HD       PHE   1   4.160   0.679   9.266
    8    HD2  PHE   1          2HD       PHE   1   4.742   4.880   9.957
    9    HE1  PHE   1          1HE       PHE   1   6.553   0.267   9.770
   10    HE2  PHE   1          2HE       PHE   1   7.135   4.466  10.460
   11    HZ   PHE   1           HZ       PHE   1   8.040   2.159  10.366
   12    H    PHE   2           H        PHE   2   1.852   3.676   5.554
   13    HA   PHE   2           HA       PHE   2  -0.681   4.705   5.658
   14    HB2  PHE   2          2HB       PHE   2  -0.262   2.247   4.005
   15    HB3  PHE   2          1HB       PHE   2  -0.997   3.787   3.567
   16    HD1  PHE   2          1HD       PHE   2   0.336   5.659   2.815
   17    HD2  PHE   2          2HD       PHE   2   2.197   2.009   4.104
   18    HE1  PHE   2          1HE       PHE   2   2.494   6.423   1.861
   19    HE2  PHE   2          2HE       PHE   2   4.354   2.771   3.150
   20    HZ   PHE   2           HZ       PHE   2   4.503   4.979   2.029
   21    H    SER   3           H        SER   3  -1.819   4.205   7.522
   22    HA   SER   3           HA       SER   3  -2.413   1.400   8.119
   23    HB2  SER   3          2HB       SER   3  -1.992   2.544  10.107
   24    HB3  SER   3          1HB       SER   3  -2.803   4.012   9.549
   25    HG   SER   3           HG       SER   3  -3.804   2.035  10.986
   26    H    LEU   4           H        LEU   4  -4.786   1.049   8.843
   27    HA   LEU   4           HA       LEU   4  -7.013   0.914   8.317
   28    HB2  LEU   4          2HB       LEU   4  -6.658   3.464   6.733
   29    HB3  LEU   4          1HB       LEU   4  -8.152   2.806   7.391
   30    HG   LEU   4           HG       LEU   4  -5.787   3.665   9.083
   31   HD11  LEU   4          1HD1      LEU   4  -6.677   5.655   8.108
   32   HD12  LEU   4          2HD1      LEU   4  -7.397   5.547   9.714
   33   HD13  LEU   4          3HD1      LEU   4  -8.336   5.088   8.293
   34   HD21  LEU   4          1HD2      LEU   4  -7.694   3.627  10.840
   35   HD22  LEU   4          2HD2      LEU   4  -7.042   2.077  10.313
   36   HD23  LEU   4          3HD2      LEU   4  -8.576   2.656   9.662
   37    H    ILE   5           H        ILE   5  -5.257   2.192   5.451
   38    HA   ILE   5           HA       ILE   5  -6.785   0.950   3.522
   39    HB   ILE   5           HB       ILE   5  -5.425   2.172   2.323
   40   HG12  ILE   5          2HG1      ILE   5  -3.217   0.229   3.078
   41   HG13  ILE   5          1HG1      ILE   5  -4.367  -0.008   1.754
   42   HG21  ILE   5          1HG2      ILE   5  -3.346   3.183   3.282
   43   HG22  ILE   5          2HG2      ILE   5  -3.563   2.162   4.701
   44   HG23  ILE   5          3HG2      ILE   5  -4.766   3.390   4.305
   45   HD11  ILE   5          1HD1      ILE   5  -2.149   2.014   1.991
   46   HD12  ILE   5          2HD1      ILE   5  -3.528   2.330   0.938
   47   HD13  ILE   5          3HD1      ILE   5  -2.510   0.919   0.658
   48    HA   PRO   6           HA       PRO   6  -5.890  -3.258   3.864
   49    HB2  PRO   6          2HB       PRO   6  -7.169  -4.116   1.701
   50    HB3  PRO   6          1HB       PRO   6  -8.066  -3.331   3.026
   51    HG2  PRO   6          2HG       PRO   6  -7.100  -2.186   0.469
   52    HG3  PRO   6          1HG       PRO   6  -8.690  -2.001   1.227
   53    HD2  PRO   6          2HD       PRO   6  -6.652  -0.137   1.409
   54    HD3  PRO   6          1HD       PRO   6  -7.928  -0.309   2.631
   55    H    SER   7           H        SER   7  -4.765  -4.978   2.744
   56    HA   SER   7           HA       SER   7  -2.343  -4.218   1.591
   57    HB2  SER   7          2HB       SER   7  -2.026  -6.536   1.060
   58    HB3  SER   7          1HB       SER   7  -2.934  -6.488   2.576
   59    HG   SER   7           HG       SER   7  -3.693  -7.904   0.748
   60    H    LEU   8           H        LEU   8  -5.481  -4.074   0.348
   61    HA   LEU   8           HA       LEU   8  -5.002  -4.744  -2.384
   62    HB2  LEU   8          2HB       LEU   8  -7.240  -4.243  -0.979
   63    HB3  LEU   8          1HB       LEU   8  -7.032  -2.661  -1.743
   64    HG   LEU   8           HG       LEU   8  -6.638  -4.100  -3.926
   65   HD11  LEU   8          1HD1      LEU   8  -7.927  -6.177  -3.940
   66   HD12  LEU   8          2HD1      LEU   8  -8.364  -5.948  -2.247
   67   HD13  LEU   8          3HD1      LEU   8  -6.688  -6.270  -2.690
   68   HD21  LEU   8          1HD2      LEU   8  -9.105  -4.027  -4.344
   69   HD22  LEU   8          2HD2      LEU   8  -8.484  -2.527  -3.656
   70   HD23  LEU   8          3HD2      LEU   8  -9.351  -3.673  -2.633
   71    H    VAL   9           H        VAL   9  -5.329  -1.530  -0.856
   72    HA   VAL   9           HA       VAL   9  -4.311  -0.179  -3.172
   73    HB   VAL   9           HB       VAL   9  -4.714   0.798  -0.336
   74   HG11  VAL   9          1HG1      VAL   9  -4.037   2.207  -2.925
   75   HG12  VAL   9          2HG1      VAL   9  -3.164   2.277  -1.394
   76   HG13  VAL   9          3HG1      VAL   9  -4.742   3.050  -1.544
   77   HG21  VAL   9          1HG2      VAL   9  -6.824   0.151  -1.279
   78   HG22  VAL   9          2HG2      VAL   9  -6.413   0.859  -2.841
   79   HG23  VAL   9          3HG2      VAL   9  -6.722   1.904  -1.453
   80    H    GLY  10           H        GLY  10  -2.962  -1.413  -0.192
   81    HA2  GLY  10          2HA       GLY  10  -0.448  -0.074  -0.395
   82    HA3  GLY  10          1HA       GLY  10  -0.819  -1.432   0.657
   83    H    GLY  11           H        GLY  11  -1.776  -3.044  -1.653
   84    HA2  GLY  11          2HA       GLY  11   0.522  -4.520  -2.183
   85    HA3  GLY  11          1HA       GLY  11  -0.949  -4.585  -3.148
   86    H    LEU  12           H        LEU  12  -0.890  -1.838  -4.029
   87    HA   LEU  12           HA       LEU  12   0.759  -2.132  -6.311
   88    HB2  LEU  12          2HB       LEU  12  -0.014   0.022  -6.984
   89    HB3  LEU  12          1HB       LEU  12  -1.366  -0.772  -6.166
   90    HG   LEU  12           HG       LEU  12  -0.146   0.474  -4.052
   91   HD11  LEU  12          1HD1      LEU  12   0.685   2.598  -4.634
   92   HD12  LEU  12          2HD1      LEU  12  -0.021   2.536  -6.248
   93   HD13  LEU  12          3HD1      LEU  12   1.388   1.550  -5.864
   94   HD21  LEU  12          1HD2      LEU  12  -1.969   2.077  -4.161
   95   HD22  LEU  12          2HD2      LEU  12  -2.568   0.525  -4.743
   96   HD23  LEU  12          3HD2      LEU  12  -2.162   1.800  -5.891
   97    H    ILE  13           H        ILE  13   1.289  -0.690  -3.180
   98    HA   ILE  13           HA       ILE  13   3.563   0.885  -3.948
   99    HB   ILE  13           HB       ILE  13   2.600  -0.097  -1.252
  100   HG12  ILE  13          2HG1      ILE  13   2.605   2.687  -2.453
  101   HG13  ILE  13          1HG1      ILE  13   1.218   1.593  -2.548
  102   HG21  ILE  13          1HG2      ILE  13   4.946   0.242  -0.998
  103   HG22  ILE  13          2HG2      ILE  13   4.197   1.736  -0.433
  104   HG23  ILE  13          3HG2      ILE  13   4.927   1.667  -2.037
  105   HD11  ILE  13          1HD1      ILE  13   2.511   2.696  -0.040
  106   HD12  ILE  13          2HD1      ILE  13   1.299   1.416  -0.029
  107   HD13  ILE  13          3HD1      ILE  13   0.882   3.020  -0.630
  108    H    SER  14           H        SER  14   3.212  -2.193  -2.171
  109    HA   SER  14           HA       SER  14   5.918  -2.800  -1.901
  110    HB2  SER  14          2HB       SER  14   3.738  -4.832  -2.410
  111    HB3  SER  14          1HB       SER  14   5.244  -5.067  -1.515
  112    HG   SER  14           HG       SER  14   3.670  -2.972  -0.651
  113    H    ALA  15           H        ALA  15   3.694  -3.528  -4.571
  114    HA   ALA  15           HA       ALA  15   5.447  -5.068  -6.131
  115    HB1  ALA  15          1HB       ALA  15   3.312  -3.182  -7.152
  116    HB2  ALA  15          2HB       ALA  15   2.988  -4.801  -6.532
  117    HB3  ALA  15          3HB       ALA  15   3.968  -4.593  -7.983
  118    H    PHE  16           H        PHE  16   4.775  -1.570  -6.234
  119    HA   PHE  16           HA       PHE  16   6.635  -0.963  -8.266
  120    HB2  PHE  16          2HB       PHE  16   4.858   0.591  -7.651
  121    HB3  PHE  16          1HB       PHE  16   5.552   0.779  -6.040
  122    HD1  PHE  16          1HD       PHE  16   5.915   1.590  -9.607
  123    HD2  PHE  16          2HD       PHE  16   7.655   1.995  -5.701
  124    HE1  PHE  16          1HE       PHE  16   7.413   3.372 -10.460
  125    HE2  PHE  16          2HE       PHE  16   9.154   3.777  -6.555
  126    HZ   PHE  16           HZ       PHE  16   9.033   4.465  -8.934
  127    H    LYS  17           H        LYS  17   6.903  -1.094  -4.746
  128    HA   LYS  17           HA       LYS  17   9.456   0.036  -4.472
  129    HB2  LYS  17          2HB       LYS  17   7.757  -0.598  -2.648
  130    HB3  LYS  17          1HB       LYS  17   8.440  -2.221  -2.751
  131    HG2  LYS  17          2HG       LYS  17  10.676  -1.334  -2.261
  132    HG3  LYS  17          1HG       LYS  17  10.027   0.306  -2.206
  133    HD2  LYS  17          2HD       LYS  17   8.439  -0.552  -0.381
  134    HD3  LYS  17          1HD       LYS  17   9.472  -1.980  -0.308
  135    HE2  LYS  17          2HE       LYS  17  10.277   0.893   0.209
  136    HE3  LYS  17          1HE       LYS  17  10.278  -0.442   1.361
  137    HZ1  LYS  17          1HZ       LYS  17  11.961  -1.544   0.006
  138    HZ2  LYS  17          2HZ       LYS  17  12.498  -0.022   0.537
  139    HZ3  LYS  17          3HZ       LYS  17  11.976  -0.231  -1.067
  140    HN1  NH2  17          1H        LYS  17  11.563  -1.048  -4.206
  141    HN2  NH2  17          2H        LYS  17  11.860  -2.543  -4.972
  Start of MODEL    7
    1    H1   PHE   1          1HT       PHE   1  -3.197  -3.606  11.163
    2    H2   PHE   1          2HT       PHE   1  -2.574  -3.724   9.586
    3    H3   PHE   1          3HT       PHE   1  -4.122  -3.073   9.845
    4    HA   PHE   1           HA       PHE   1  -2.148  -1.678  11.351
    5    HB2  PHE   1          2HB       PHE   1  -1.880  -1.694   8.329
    6    HB3  PHE   1          1HB       PHE   1  -0.997  -0.649   9.441
    7    HD1  PHE   1          1HD       PHE   1   0.548  -1.699  11.155
    8    HD2  PHE   1          2HD       PHE   1  -1.159  -3.923   7.900
    9    HE1  PHE   1          1HE       PHE   1   2.260  -3.467  11.464
   10    HE2  PHE   1          2HE       PHE   1   0.552  -5.690   8.210
   11    HZ   PHE   1           HZ       PHE   1   2.262  -5.462   9.992
   12    H    PHE   2           H        PHE   2  -2.731   0.514  11.406
   13    HA   PHE   2           HA       PHE   2  -5.256   1.184  10.010
   14    HB2  PHE   2          2HB       PHE   2  -5.004   0.891  12.699
   15    HB3  PHE   2          1HB       PHE   2  -4.612   2.601  12.538
   16    HD1  PHE   2          1HD       PHE   2  -7.180   0.937  13.634
   17    HD2  PHE   2          2HD       PHE   2  -6.303   3.300  10.154
   18    HE1  PHE   2          1HE       PHE   2  -9.589   1.460  13.380
   19    HE2  PHE   2          2HE       PHE   2  -8.712   3.820   9.901
   20    HZ   PHE   2           HZ       PHE   2 -10.356   2.901  11.513
   21    H    SER   3           H        SER   3  -2.750   1.672   8.851
   22    HA   SER   3           HA       SER   3  -1.992   4.422   9.376
   23    HB2  SER   3          2HB       SER   3  -1.151   2.555   7.142
   24    HB3  SER   3          1HB       SER   3  -0.393   4.099   7.551
   25    HG   SER   3           HG       SER   3  -0.067   1.652   8.668
   26    H    LEU   4           H        LEU   4  -1.681   5.745   7.177
   27    HA   LEU   4           HA       LEU   4  -4.191   6.643   6.389
   28    HB2  LEU   4          2HB       LEU   4  -1.528   6.817   4.965
   29    HB3  LEU   4          1HB       LEU   4  -2.968   7.694   4.452
   30    HG   LEU   4           HG       LEU   4  -2.104   7.915   7.318
   31   HD11  LEU   4          1HD1      LEU   4  -0.706   9.912   6.610
   32   HD12  LEU   4          2HD1      LEU   4  -0.807   9.302   4.959
   33   HD13  LEU   4          3HD1      LEU   4  -0.016   8.340   6.206
   34   HD21  LEU   4          1HD2      LEU   4  -3.301   9.872   5.327
   35   HD22  LEU   4          2HD2      LEU   4  -3.075  10.161   7.052
   36   HD23  LEU   4          3HD2      LEU   4  -4.221   8.938   6.506
   37    H    ILE   5           H        ILE   5  -2.311   5.759   3.641
   38    HA   ILE   5           HA       ILE   5  -4.389   4.653   2.212
   39    HB   ILE   5           HB       ILE   5  -2.869   4.898   0.657
   40   HG12  ILE   5          2HG1      ILE   5  -1.292   2.709   2.047
   41   HG13  ILE   5          1HG1      ILE   5  -2.520   2.461   0.797
   42   HG21  ILE   5          1HG2      ILE   5  -1.724   6.419   2.186
   43   HG22  ILE   5          2HG2      ILE   5  -0.544   5.552   1.206
   44   HG23  ILE   5          3HG2      ILE   5  -0.827   5.066   2.877
   45   HD11  ILE   5          1HD1      ILE   5  -1.055   4.032  -0.656
   46   HD12  ILE   5          2HD1      ILE   5  -0.482   2.385  -0.394
   47   HD13  ILE   5          3HD1      ILE   5   0.210   3.715   0.531
   48    HA   PRO   6           HA       PRO   6  -4.861   0.637   3.738
   49    HB2  PRO   6          2HB       PRO   6  -6.502  -0.326   1.886
   50    HB3  PRO   6          1HB       PRO   6  -7.004   1.049   2.903
   51    HG2  PRO   6          2HG       PRO   6  -5.887   1.050   0.155
   52    HG3  PRO   6          1HG       PRO   6  -7.296   1.931   0.770
   53    HD2  PRO   6          2HD       PRO   6  -4.794   3.052   0.485
   54    HD3  PRO   6          1HD       PRO   6  -5.972   3.608   1.694
   55    H    SER   7           H        SER   7  -4.422  -1.594   3.183
   56    HA   SER   7           HA       SER   7  -1.982  -2.015   1.904
   57    HB2  SER   7          2HB       SER   7  -2.704  -4.433   1.832
   58    HB3  SER   7          1HB       SER   7  -2.836  -3.681   3.427
   59    HG   SER   7           HG       SER   7  -4.825  -4.370   3.280
   60    H    LEU   8           H        LEU   8  -4.998  -1.211   0.622
   61    HA   LEU   8           HA       LEU   8  -4.973  -2.732  -1.792
   62    HB2  LEU   8          2HB       LEU   8  -6.819  -1.166  -0.620
   63    HB3  LEU   8          1HB       LEU   8  -6.194  -0.016  -1.810
   64    HG   LEU   8           HG       LEU   8  -7.204  -2.810  -2.433
   65   HD11  LEU   8          1HD1      LEU   8  -9.108  -1.696  -3.439
   66   HD12  LEU   8          2HD1      LEU   8  -8.410  -0.111  -3.105
   67   HD13  LEU   8          3HD1      LEU   8  -8.956  -1.132  -1.775
   68   HD21  LEU   8          1HD2      LEU   8  -5.504  -2.214  -4.019
   69   HD22  LEU   8          2HD2      LEU   8  -6.104  -0.559  -4.136
   70   HD23  LEU   8          3HD2      LEU   8  -7.048  -1.889  -4.808
   71    H    VAL   9           H        VAL   9  -4.160   0.710  -1.264
   72    HA   VAL   9           HA       VAL   9  -2.962   0.957  -3.860
   73    HB   VAL   9           HB       VAL   9  -2.823   2.764  -1.436
   74   HG11  VAL   9          1HG1      VAL   9  -2.198   4.478  -3.201
   75   HG12  VAL   9          2HG1      VAL   9  -1.959   3.132  -4.315
   76   HG13  VAL   9          3HG1      VAL   9  -0.957   3.269  -2.869
   77   HG21  VAL   9          1HG2      VAL   9  -5.097   2.517  -2.268
   78   HG22  VAL   9          2HG2      VAL   9  -4.554   2.760  -3.928
   79   HG23  VAL   9          3HG2      VAL   9  -4.484   4.091  -2.773
   80    H    GLY  10           H        GLY  10  -1.813   0.270  -0.622
   81    HA2  GLY  10          2HA       GLY  10   0.959   0.644  -1.160
   82    HA3  GLY  10          1HA       GLY  10   0.275  -0.219   0.213
   83    H    GLY  11           H        GLY  11  -1.275  -2.009  -1.584
   84    HA2  GLY  11          2HA       GLY  11   0.453  -4.189  -1.686
   85    HA3  GLY  11          1HA       GLY  11  -1.042  -4.058  -2.604
   86    H    LEU  12           H        LEU  12  -0.305  -1.800  -4.195
   87    HA   LEU  12           HA       LEU  12   0.983  -3.092  -6.337
   88    HB2  LEU  12          2HB       LEU  12   0.727  -1.090  -7.527
   89    HB3  LEU  12          1HB       LEU  12  -0.582  -1.027  -6.342
   90    HG   LEU  12           HG       LEU  12   1.246   0.193  -4.855
   91   HD11  LEU  12          1HD1      LEU  12   3.120   0.918  -5.886
   92   HD12  LEU  12          2HD1      LEU  12   2.210   1.533  -7.264
   93   HD13  LEU  12          3HD1      LEU  12   2.714  -0.154  -7.224
   94   HD21  LEU  12          1HD2      LEU  12   0.407   2.345  -5.704
   95   HD22  LEU  12          2HD2      LEU  12  -0.898   1.162  -5.638
   96   HD23  LEU  12          3HD2      LEU  12  -0.145   1.559  -7.183
   97    H    ILE  13           H        ILE  13   2.221  -1.181  -3.689
   98    HA   ILE  13           HA       ILE  13   4.736  -0.492  -4.739
   99    HB   ILE  13           HB       ILE  13   4.086  -1.154  -1.859
  100   HG12  ILE  13          2HG1      ILE  13   3.894   1.501  -3.320
  101   HG13  ILE  13          1HG1      ILE  13   2.503   0.489  -2.906
  102   HG21  ILE  13          1HG2      ILE  13   5.915   0.431  -1.389
  103   HG22  ILE  13          2HG2      ILE  13   6.173   0.652  -3.120
  104   HG23  ILE  13          3HG2      ILE  13   6.493  -0.914  -2.374
  105   HD11  ILE  13          1HD1      ILE  13   4.458   1.772  -0.976
  106   HD12  ILE  13          2HD1      ILE  13   3.220   0.610  -0.499
  107   HD13  ILE  13          3HD1      ILE  13   2.752   2.170  -1.177
  108    H    SER  14           H        SER  14   3.768  -3.311  -2.781
  109    HA   SER  14           HA       SER  14   6.328  -4.557  -2.874
  110    HB2  SER  14          2HB       SER  14   5.088  -6.574  -2.080
  111    HB3  SER  14          1HB       SER  14   4.759  -5.128  -1.118
  112    HG   SER  14           HG       SER  14   2.814  -4.903  -2.147
  113    H    ALA  15           H        ALA  15   3.320  -5.054  -4.712
  114    HA   ALA  15           HA       ALA  15   4.199  -7.198  -6.293
  115    HB1  ALA  15          1HB       ALA  15   1.832  -6.159  -6.043
  116    HB2  ALA  15          2HB       ALA  15   2.297  -6.828  -7.607
  117    HB3  ALA  15          3HB       ALA  15   2.338  -5.083  -7.347
  118    H    PHE  16           H        PHE  16   4.289  -3.695  -6.930
  119    HA   PHE  16           HA       PHE  16   5.488  -3.860  -9.474
  120    HB2  PHE  16          2HB       PHE  16   4.362  -1.837  -8.438
  121    HB3  PHE  16          1HB       PHE  16   5.842  -1.594  -7.509
  122    HD1  PHE  16          1HD       PHE  16   4.253  -1.309 -10.772
  123    HD2  PHE  16          2HD       PHE  16   8.010  -1.186  -8.696
  124    HE1  PHE  16          1HE       PHE  16   5.295  -0.190 -12.725
  125    HE2  PHE  16          2HE       PHE  16   9.053  -0.067 -10.648
  126    HZ   PHE  16           HZ       PHE  16   7.696   0.431 -12.663
  127    H    LYS  17           H        LYS  17   6.796  -4.031  -6.245
  128    HA   LYS  17           HA       LYS  17   9.277  -5.060  -7.136
  129    HB2  LYS  17          2HB       LYS  17   9.566  -2.625  -7.718
  130    HB3  LYS  17          1HB       LYS  17   9.443  -2.266  -5.996
  131    HG2  LYS  17          2HG       LYS  17  11.378  -3.690  -5.529
  132    HG3  LYS  17          1HG       LYS  17  11.482  -4.139  -7.232
  133    HD2  LYS  17          2HD       LYS  17  11.949  -1.830  -7.858
  134    HD3  LYS  17          1HD       LYS  17  11.726  -1.302  -6.189
  135    HE2  LYS  17          2HE       LYS  17  13.658  -2.546  -5.459
  136    HE3  LYS  17          1HE       LYS  17  13.813  -3.328  -7.033
  137    HZ1  LYS  17          1HZ       LYS  17  15.340  -1.636  -7.175
  138    HZ2  LYS  17          2HZ       LYS  17  14.396  -0.545  -6.278
  139    HZ3  LYS  17          3HZ       LYS  17  13.981  -0.911  -7.884
  140    HN1  NH2  17          1H        LYS  17   8.109  -3.025  -4.386
  141    HN2  NH2  17          2H        LYS  17   8.524  -4.168  -3.190
  Start of MODEL    8
    1    H1   PHE   1          1HT       PHE   1  -3.782   4.883  17.244
    2    H2   PHE   1          2HT       PHE   1  -5.238   4.792  16.373
    3    H3   PHE   1          3HT       PHE   1  -4.672   6.293  16.934
    4    HA   PHE   1           HA       PHE   1  -2.774   6.178  15.468
    5    HB2  PHE   1          2HB       PHE   1  -2.990   3.534  15.579
    6    HB3  PHE   1          1HB       PHE   1  -3.971   3.769  14.134
    7    HD1  PHE   1          1HD       PHE   1  -2.870   3.772  12.073
    8    HD2  PHE   1          2HD       PHE   1  -0.730   4.977  15.598
    9    HE1  PHE   1          1HE       PHE   1  -0.804   4.043  10.727
   10    HE2  PHE   1          2HE       PHE   1   1.336   5.247  14.251
   11    HZ   PHE   1           HZ       PHE   1   1.298   4.780  11.816
   12    H    PHE   2           H        PHE   2  -3.789   5.145  12.778
   13    HA   PHE   2           HA       PHE   2  -6.245   6.602  12.324
   14    HB2  PHE   2          2HB       PHE   2  -4.315   8.325  12.398
   15    HB3  PHE   2          1HB       PHE   2  -3.823   7.628  10.855
   16    HD1  PHE   2          1HD       PHE   2  -5.134   7.957   8.848
   17    HD2  PHE   2          2HD       PHE   2  -6.519   9.430  12.637
   18    HE1  PHE   2          1HE       PHE   2  -6.872   9.297   7.691
   19    HE2  PHE   2          2HE       PHE   2  -8.257  10.770  11.482
   20    HZ   PHE   2           HZ       PHE   2  -8.434  10.702   9.009
   21    H    SER   3           H        SER   3  -6.485   4.238  11.747
   22    HA   SER   3           HA       SER   3  -6.535   2.507  10.214
   23    HB2  SER   3          2HB       SER   3  -6.932   4.941   8.462
   24    HB3  SER   3          1HB       SER   3  -7.226   3.280   7.934
   25    HG   SER   3           HG       SER   3  -9.131   3.664   8.765
   26    H    LEU   4           H        LEU   4  -5.755   2.232   7.619
   27    HA   LEU   4           HA       LEU   4  -3.160   3.181   7.024
   28    HB2  LEU   4          2HB       LEU   4  -1.909   1.053   7.403
   29    HB3  LEU   4          1HB       LEU   4  -2.419   1.842   8.893
   30    HG   LEU   4           HG       LEU   4  -4.589   0.239   8.386
   31   HD11  LEU   4          1HD1      LEU   4  -3.704  -1.989   7.787
   32   HD12  LEU   4          2HD1      LEU   4  -2.115  -1.280   7.505
   33   HD13  LEU   4          3HD1      LEU   4  -3.472  -0.840   6.471
   34   HD21  LEU   4          1HD2      LEU   4  -2.053  -0.385   9.928
   35   HD22  LEU   4          2HD2      LEU   4  -3.549  -1.305  10.090
   36   HD23  LEU   4          3HD2      LEU   4  -3.509   0.397  10.546
   37    H    ILE   5           H        ILE   5  -2.529   2.594   4.966
   38    HA   ILE   5           HA       ILE   5  -4.438   1.770   3.160
   39    HB   ILE   5           HB       ILE   5  -2.895   2.624   1.868
   40   HG12  ILE   5          2HG1      ILE   5  -1.200   0.188   2.508
   41   HG13  ILE   5          1HG1      ILE   5  -2.447   0.256   1.256
   42   HG21  ILE   5          1HG2      ILE   5  -0.960   2.141   4.139
   43   HG22  ILE   5          2HG2      ILE   5  -1.832   3.634   3.792
   44   HG23  ILE   5          3HG2      ILE   5  -0.571   3.076   2.696
   45   HD11  ILE   5          1HD1      ILE   5  -0.477   0.690   0.052
   46   HD12  ILE   5          2HD1      ILE   5   0.212   1.666   1.349
   47   HD13  ILE   5          3HD1      ILE   5  -1.105   2.308   0.366
   48    HA   PRO   6           HA       PRO   6  -4.581  -2.529   3.492
   49    HB2  PRO   6          2HB       PRO   6  -6.141  -3.044   1.406
   50    HB3  PRO   6          1HB       PRO   6  -6.750  -2.071   2.769
   51    HG2  PRO   6          2HG       PRO   6  -5.672  -1.185   0.155
   52    HG3  PRO   6          1HG       PRO   6  -7.127  -0.623   0.993
   53    HD2  PRO   6          2HD       PRO   6  -4.694   0.693   1.050
   54    HD3  PRO   6          1HD       PRO   6  -5.905   0.827   2.342
   55    H    SER   7           H        SER   7  -3.964  -4.468   2.337
   56    HA   SER   7           HA       SER   7  -1.494  -4.315   1.052
   57    HB2  SER   7          2HB       SER   7  -1.700  -6.628   0.670
   58    HB3  SER   7          1HB       SER   7  -2.713  -6.365   2.094
   59    HG   SER   7           HG       SER   7  -4.151  -5.912  -0.112
   60    H    LEU   8           H        LEU   8  -4.560  -3.408  -0.022
   61    HA   LEU   8           HA       LEU   8  -4.433  -4.178  -2.762
   62    HB2  LEU   8          2HB       LEU   8  -6.374  -3.115  -1.231
   63    HB3  LEU   8          1HB       LEU   8  -5.828  -1.646  -2.051
   64    HG   LEU   8           HG       LEU   8  -6.665  -4.221  -3.425
   65   HD11  LEU   8          1HD1      LEU   8  -8.022  -1.510  -3.403
   66   HD12  LEU   8          2HD1      LEU   8  -8.505  -2.852  -2.365
   67   HD13  LEU   8          3HD1      LEU   8  -8.634  -3.003  -4.117
   68   HD21  LEU   8          1HD2      LEU   8  -6.562  -2.668  -5.459
   69   HD22  LEU   8          2HD2      LEU   8  -5.007  -3.143  -4.775
   70   HD23  LEU   8          3HD2      LEU   8  -5.669  -1.545  -4.434
   71    H    VAL   9           H        VAL   9  -3.835  -0.980  -1.278
   72    HA   VAL   9           HA       VAL   9  -2.694   0.071  -3.687
   73    HB   VAL   9           HB       VAL   9  -2.681   1.103  -0.845
   74   HG11  VAL   9          1HG1      VAL   9  -0.800   2.099  -1.954
   75   HG12  VAL   9          2HG1      VAL   9  -2.101   3.289  -2.013
   76   HG13  VAL   9          3HG1      VAL   9  -1.720   2.327  -3.441
   77   HG21  VAL   9          1HG2      VAL   9  -4.905   1.013  -1.828
   78   HG22  VAL   9          2HG2      VAL   9  -4.318   1.767  -3.310
   79   HG23  VAL   9          3HG2      VAL   9  -4.365   2.691  -1.810
   80    H    GLY  10           H        GLY  10  -1.432  -1.435  -0.783
   81    HA2  GLY  10          2HA       GLY  10   1.298  -0.739  -1.205
   82    HA3  GLY  10          1HA       GLY  10   0.705  -2.007  -0.139
   83    H    GLY  11           H        GLY  11  -0.785  -3.292  -2.358
   84    HA2  GLY  11          2HA       GLY  11   1.132  -5.185  -3.144
   85    HA3  GLY  11          1HA       GLY  11  -0.461  -4.993  -3.868
   86    H    LEU  12           H        LEU  12  -0.231  -2.413  -4.925
   87    HA   LEU  12           HA       LEU  12   1.051  -2.937  -7.374
   88    HB2  LEU  12          2HB       LEU  12   0.285  -0.857  -8.072
   89    HB3  LEU  12          1HB       LEU  12  -0.839  -1.234  -6.762
   90    HG   LEU  12           HG       LEU  12   0.991   0.005  -5.281
   91   HD11  LEU  12          1HD1      LEU  12   2.188   0.319  -7.750
   92   HD12  LEU  12          2HD1      LEU  12   2.483   1.346  -6.350
   93   HD13  LEU  12          3HD1      LEU  12   1.311   1.838  -7.572
   94   HD21  LEU  12          1HD2      LEU  12  -1.100   1.276  -7.061
   95   HD22  LEU  12          2HD2      LEU  12  -0.253   2.177  -5.803
   96   HD23  LEU  12          3HD2      LEU  12  -1.262   0.796  -5.372
   97    H    ILE  13           H        ILE  13   2.213  -1.458  -4.424
   98    HA   ILE  13           HA       ILE  13   4.507  -0.195  -5.549
   99    HB   ILE  13           HB       ILE  13   3.922  -1.137  -2.733
  100   HG12  ILE  13          2HG1      ILE  13   3.964   1.639  -3.966
  101   HG13  ILE  13          1HG1      ILE  13   2.494   0.693  -3.694
  102   HG21  ILE  13          1HG2      ILE  13   6.238   0.434  -3.890
  103   HG22  ILE  13          2HG2      ILE  13   6.310  -1.045  -2.933
  104   HG23  ILE  13          3HG2      ILE  13   5.825   0.471  -2.177
  105   HD11  ILE  13          1HD1      ILE  13   2.661   2.098  -1.789
  106   HD12  ILE  13          2HD1      ILE  13   4.397   1.822  -1.637
  107   HD13  ILE  13          3HD1      ILE  13   3.261   0.533  -1.241
  108    H    SER  14           H        SER  14   4.008  -3.329  -3.938
  109    HA   SER  14           HA       SER  14   6.652  -4.242  -4.026
  110    HB2  SER  14          2HB       SER  14   5.161  -5.518  -2.722
  111    HB3  SER  14          1HB       SER  14   3.990  -5.656  -4.039
  112    HG   SER  14           HG       SER  14   5.527  -7.498  -3.512
  113    H    ALA  15           H        ALA  15   4.070  -4.420  -6.441
  114    HA   ALA  15           HA       ALA  15   5.423  -6.058  -8.299
  115    HB1  ALA  15          1HB       ALA  15   3.001  -5.617  -8.405
  116    HB2  ALA  15          2HB       ALA  15   3.792  -5.211  -9.928
  117    HB3  ALA  15          3HB       ALA  15   3.328  -3.932  -8.807
  118    H    PHE  16           H        PHE  16   5.200  -2.523  -7.987
  119    HA   PHE  16           HA       PHE  16   6.733  -1.889 -10.265
  120    HB2  PHE  16          2HB       PHE  16   5.355  -0.211  -9.179
  121    HB3  PHE  16          1HB       PHE  16   6.305  -0.343  -7.700
  122    HD1  PHE  16          1HD       PHE  16   7.986   1.239  -7.364
  123    HD2  PHE  16          2HD       PHE  16   6.851   0.204 -11.376
  124    HE1  PHE  16          1HE       PHE  16   9.587   2.913  -8.249
  125    HE2  PHE  16          2HE       PHE  16   8.453   1.879 -12.261
  126    HZ   PHE  16           HZ       PHE  16   9.820   3.233 -10.697
  127    H    LYS  17           H        LYS  17   7.610  -2.814  -7.011
  128    HA   LYS  17           HA       LYS  17  10.183  -1.911  -6.734
  129    HB2  LYS  17          2HB       LYS  17   8.878  -3.364  -5.117
  130    HB3  LYS  17          1HB       LYS  17   9.372  -4.749  -6.092
  131    HG2  LYS  17          2HG       LYS  17  11.734  -4.189  -5.730
  132    HG3  LYS  17          1HG       LYS  17  11.267  -2.770  -4.793
  133    HD2  LYS  17          2HD       LYS  17  10.304  -4.114  -3.064
  134    HD3  LYS  17          1HD       LYS  17  10.394  -5.570  -4.055
  135    HE2  LYS  17          2HE       LYS  17  12.878  -5.392  -4.040
  136    HE3  LYS  17          1HE       LYS  17  12.747  -3.996  -2.969
  137    HZ1  LYS  17          1HZ       LYS  17  11.310  -5.632  -1.571
  138    HZ2  LYS  17          2HZ       LYS  17  13.005  -5.688  -1.473
  139    HZ3  LYS  17          3HZ       LYS  17  12.167  -6.822  -2.422
  140    HN1  NH2  17          1H        LYS  17   9.057  -4.328  -9.036
  141    HN2  NH2  17          2H        LYS  17  10.593  -4.669  -9.698
  Start of MODEL    9
    1    H1   PHE   1          1HT       PHE   1  -5.783   9.641   9.240
    2    H2   PHE   1          2HT       PHE   1  -6.899   9.678  10.521
    3    H3   PHE   1          3HT       PHE   1  -6.871   8.359   9.451
    4    HA   PHE   1           HA       PHE   1  -4.311   8.739  10.601
    5    HB2  PHE   1          2HB       PHE   1  -6.693   8.911  12.374
    6    HB3  PHE   1          1HB       PHE   1  -5.433   7.792  12.892
    7    HD1  PHE   1          1HD       PHE   1  -3.540   8.604  14.017
    8    HD2  PHE   1          2HD       PHE   1  -5.916  11.300  11.662
    9    HE1  PHE   1          1HE       PHE   1  -2.180  10.512  14.830
   10    HE2  PHE   1          2HE       PHE   1  -4.555  13.208  12.476
   11    HZ   PHE   1           HZ       PHE   1  -2.688  12.814  14.060
   12    H    PHE   2           H        PHE   2  -6.258   7.178   8.794
   13    HA   PHE   2           HA       PHE   2  -6.466   4.549   9.872
   14    HB2  PHE   2          2HB       PHE   2  -7.784   5.541   7.915
   15    HB3  PHE   2          1HB       PHE   2  -6.352   5.230   6.934
   16    HD1  PHE   2          1HD       PHE   2  -5.462   2.878   6.743
   17    HD2  PHE   2          2HD       PHE   2  -9.248   3.771   8.564
   18    HE1  PHE   2          1HE       PHE   2  -6.134   0.503   6.509
   19    HE2  PHE   2          2HE       PHE   2  -9.920   1.396   8.330
   20    HZ   PHE   2           HZ       PHE   2  -8.363  -0.239   7.303
   21    H    SER   3           H        SER   3  -4.464   3.908  10.675
   22    HA   SER   3           HA       SER   3  -2.157   3.868   8.883
   23    HB2  SER   3          2HB       SER   3  -1.289   2.628  11.122
   24    HB3  SER   3          1HB       SER   3  -1.321   4.386  10.947
   25    HG   SER   3           HG       SER   3  -3.429   4.315  11.895
   26    H    LEU   4           H        LEU   4  -0.819   1.658   9.398
   27    HA   LEU   4           HA       LEU   4  -0.617  -0.555   8.818
   28    HB2  LEU   4          2HB       LEU   4  -3.446  -0.833   9.844
   29    HB3  LEU   4          1HB       LEU   4  -2.207  -2.084   9.758
   30    HG   LEU   4           HG       LEU   4  -2.019   0.424  11.453
   31   HD11  LEU   4          1HD1      LEU   4  -2.312  -1.159  13.352
   32   HD12  LEU   4          2HD1      LEU   4  -2.617  -2.456  12.197
   33   HD13  LEU   4          3HD1      LEU   4  -3.734  -1.097  12.313
   34   HD21  LEU   4          1HD2      LEU   4   0.193  -0.244  10.965
   35   HD22  LEU   4          2HD2      LEU   4  -0.223  -1.958  10.988
   36   HD23  LEU   4          3HD2      LEU   4  -0.144  -1.048  12.497
   37    H    ILE   5           H        ILE   5  -0.839   0.604   6.592
   38    HA   ILE   5           HA       ILE   5  -3.115   0.468   5.043
   39    HB   ILE   5           HB       ILE   5  -1.703   1.491   3.722
   40   HG12  ILE   5          2HG1      ILE   5  -0.251  -1.159   3.425
   41   HG13  ILE   5          1HG1      ILE   5  -1.668  -0.669   2.486
   42   HG21  ILE   5          1HG2      ILE   5   0.760   1.520   4.183
   43   HG22  ILE   5          2HG2      ILE   5   0.494   0.274   5.401
   44   HG23  ILE   5          3HG2      ILE   5  -0.226   1.871   5.600
   45   HD11  ILE   5          1HD1      ILE   5   0.111  -0.095   1.068
   46   HD12  ILE   5          2HD1      ILE   5   1.128   0.443   2.404
   47   HD13  ILE   5          3HD1      ILE   5  -0.237   1.430   1.882
   48    HA   PRO   6           HA       PRO   6  -3.780  -3.737   4.329
   49    HB2  PRO   6          2HB       PRO   6  -5.683  -3.548   2.484
   50    HB3  PRO   6          1HB       PRO   6  -5.953  -2.908   4.126
   51    HG2  PRO   6          2HG       PRO   6  -5.149  -1.480   1.655
   52    HG3  PRO   6          1HG       PRO   6  -6.387  -1.024   2.837
   53    HD2  PRO   6          2HD       PRO   6  -3.826   0.012   2.803
   54    HD3  PRO   6          1HD       PRO   6  -4.810  -0.097   4.278
   55    H    SER   7           H        SER   7  -3.596  -5.359   2.660
   56    HA   SER   7           HA       SER   7  -1.350  -5.102   1.027
   57    HB2  SER   7          2HB       SER   7  -2.327  -7.109  -0.190
   58    HB3  SER   7          1HB       SER   7  -2.137  -7.305   1.557
   59    HG   SER   7           HG       SER   7  -4.376  -7.354   0.043
   60    H    LEU   8           H        LEU   8  -4.405  -3.697   0.769
   61    HA   LEU   8           HA       LEU   8  -4.806  -3.749  -2.049
   62    HB2  LEU   8          2HB       LEU   8  -6.300  -2.906   0.049
   63    HB3  LEU   8          1HB       LEU   8  -5.720  -1.349  -0.556
   64    HG   LEU   8           HG       LEU   8  -6.428  -2.319  -2.905
   65   HD11  LEU   8          1HD1      LEU   8  -8.226  -3.908  -2.847
   66   HD12  LEU   8          2HD1      LEU   8  -8.324  -3.828  -1.089
   67   HD13  LEU   8          3HD1      LEU   8  -6.932  -4.587  -1.860
   68   HD21  LEU   8          1HD2      LEU   8  -8.410  -1.392  -0.800
   69   HD22  LEU   8          2HD2      LEU   8  -8.726  -1.405  -2.535
   70   HD23  LEU   8          3HD2      LEU   8  -7.466  -0.361  -1.876
   71    H    VAL   9           H        VAL   9  -3.564  -1.103   0.006
   72    HA   VAL   9           HA       VAL   9  -2.648   0.400  -2.260
   73    HB   VAL   9           HB       VAL   9  -2.101   0.690   0.699
   74   HG11  VAL   9          1HG1      VAL   9  -1.347   2.408  -1.676
   75   HG12  VAL   9          2HG1      VAL   9  -0.276   1.743  -0.442
   76   HG13  VAL   9          3HG1      VAL   9  -1.403   3.033  -0.028
   77   HG21  VAL   9          1HG2      VAL   9  -4.463   1.017  -0.166
   78   HG22  VAL   9          2HG2      VAL   9  -3.841   2.341  -1.151
   79   HG23  VAL   9          3HG2      VAL   9  -3.758   2.437   0.608
   80    H    GLY  10           H        GLY  10  -1.212  -1.886  -0.023
   81    HA2  GLY  10          2HA       GLY  10   1.495  -1.380  -0.819
   82    HA3  GLY  10          1HA       GLY  10   0.933  -2.722   0.168
   83    H    GLY  11           H        GLY  11  -1.075  -3.502  -1.869
   84    HA2  GLY  11          2HA       GLY  11   0.350  -5.484  -3.209
   85    HA3  GLY  11          1HA       GLY  11  -1.254  -4.923  -3.668
   86    H    LEU  12           H        LEU  12  -0.877  -2.399  -4.536
   87    HA   LEU  12           HA       LEU  12   0.300  -2.786  -7.094
   88    HB2  LEU  12          2HB       LEU  12  -0.366  -0.529  -7.566
   89    HB3  LEU  12          1HB       LEU  12  -1.645  -1.276  -6.600
   90    HG   LEU  12           HG       LEU  12   0.000  -0.230  -4.644
   91   HD11  LEU  12          1HD1      LEU  12   1.381   0.946  -6.307
   92   HD12  LEU  12          2HD1      LEU  12   0.467   2.103  -5.340
   93   HD13  LEU  12          3HD1      LEU  12  -0.060   1.712  -6.976
   94   HD21  LEU  12          1HD2      LEU  12  -1.735   1.621  -4.560
   95   HD22  LEU  12          2HD2      LEU  12  -2.399  -0.013  -4.601
   96   HD23  LEU  12          3HD2      LEU  12  -2.393   0.973  -6.062
   97    H    ILE  13           H        ILE  13   1.465  -1.498  -4.080
   98    HA   ILE  13           HA       ILE  13   3.654  -0.002  -5.113
   99    HB   ILE  13           HB       ILE  13   3.177  -1.271  -2.410
  100   HG12  ILE  13          2HG1      ILE  13   1.767   0.730  -3.417
  101   HG13  ILE  13          1HG1      ILE  13   2.331   0.799  -1.742
  102   HG21  ILE  13          1HG2      ILE  13   5.528  -1.056  -2.531
  103   HG22  ILE  13          2HG2      ILE  13   5.002   0.426  -1.734
  104   HG23  ILE  13          3HG2      ILE  13   5.431   0.450  -3.444
  105   HD11  ILE  13          1HD1      ILE  13   2.727   2.872  -3.276
  106   HD12  ILE  13          2HD1      ILE  13   4.033   1.912  -3.969
  107   HD13  ILE  13          3HD1      ILE  13   4.051   2.317  -2.254
  108    H    SER  14           H        SER  14   3.204  -3.376  -4.229
  109    HA   SER  14           HA       SER  14   5.866  -4.218  -4.137
  110    HB2  SER  14          2HB       SER  14   3.405  -5.691  -5.108
  111    HB3  SER  14          1HB       SER  14   4.968  -6.455  -4.791
  112    HG   SER  14           HG       SER  14   4.677  -6.194  -2.696
  113    H    ALA  15           H        ALA  15   3.643  -4.224  -6.931
  114    HA   ALA  15           HA       ALA  15   5.606  -5.048  -8.804
  115    HB1  ALA  15          1HB       ALA  15   3.048  -3.515  -9.318
  116    HB2  ALA  15          2HB       ALA  15   3.156  -5.268  -9.166
  117    HB3  ALA  15          3HB       ALA  15   3.967  -4.448 -10.499
  118    H    PHE  16           H        PHE  16   4.314  -1.866  -7.904
  119    HA   PHE  16           HA       PHE  16   5.753  -0.361  -9.804
  120    HB2  PHE  16          2HB       PHE  16   3.809   0.473  -8.468
  121    HB3  PHE  16          1HB       PHE  16   4.864   0.536  -7.056
  122    HD1  PHE  16          1HD       PHE  16   4.693   1.703 -10.615
  123    HD2  PHE  16          2HD       PHE  16   6.098   2.482  -6.630
  124    HE1  PHE  16          1HE       PHE  16   5.533   3.920 -11.344
  125    HE2  PHE  16          2HE       PHE  16   6.936   4.699  -7.359
  126    HZ   PHE  16           HZ       PHE  16   6.654   5.417  -9.716
  127    H    LYS  17           H        LYS  17   6.554  -1.468  -6.550
  128    HA   LYS  17           HA       LYS  17   8.895   0.034  -6.158
  129    HB2  LYS  17          2HB       LYS  17   7.778  -1.243  -4.368
  130    HB3  LYS  17          1HB       LYS  17   8.255  -2.749  -5.152
  131    HG2  LYS  17          2HG       LYS  17  10.560  -2.360  -4.756
  132    HG3  LYS  17          1HG       LYS  17  10.293  -0.658  -4.379
  133    HD2  LYS  17          2HD       LYS  17   8.929  -2.728  -2.688
  134    HD3  LYS  17          1HD       LYS  17  10.649  -2.432  -2.434
  135    HE2  LYS  17          2HE       LYS  17   8.479  -0.312  -2.375
  136    HE3  LYS  17          1HE       LYS  17   9.274  -1.003  -0.960
  137    HZ1  LYS  17          1HZ       LYS  17  11.028   0.305  -1.248
  138    HZ2  LYS  17          2HZ       LYS  17  10.112   1.171  -2.387
  139    HZ3  LYS  17          3HZ       LYS  17  11.151  -0.072  -2.898
  140    HN1  NH2  17          1H        LYS  17   8.634  -3.358  -7.381
  141    HN2  NH2  17          2H        LYS  17  10.129  -3.319  -8.202
  Start of MODEL   10
    1    H1   PHE   1          1HT       PHE   1  -8.829   4.944  13.396
    2    H2   PHE   1          2HT       PHE   1  -9.645   5.748  12.143
    3    H3   PHE   1          3HT       PHE   1  -9.440   6.505  13.649
    4    HA   PHE   1           HA       PHE   1  -7.899   7.410  12.031
    5    HB2  PHE   1          2HB       PHE   1  -6.273   5.683  13.884
    6    HB3  PHE   1          1HB       PHE   1  -6.035   7.376  13.451
    7    HD1  PHE   1          1HD       PHE   1  -7.894   9.048  14.176
    8    HD2  PHE   1          2HD       PHE   1  -7.407   5.128  15.866
    9    HE1  PHE   1          1HE       PHE   1  -9.196   9.743  16.169
   10    HE2  PHE   1          2HE       PHE   1  -8.709   5.825  17.858
   11    HZ   PHE   1           HZ       PHE   1  -9.604   8.132  18.009
   12    H    PHE   2           H        PHE   2  -7.653   6.723   9.961
   13    HA   PHE   2           HA       PHE   2  -7.269   4.224   8.946
   14    HB2  PHE   2          2HB       PHE   2  -5.618   6.408   7.753
   15    HB3  PHE   2          1HB       PHE   2  -6.689   5.251   6.970
   16    HD1  PHE   2          1HD       PHE   2  -6.448   8.498   7.012
   17    HD2  PHE   2          2HD       PHE   2  -9.150   5.574   8.623
   18    HE1  PHE   2          1HE       PHE   2  -8.270  10.181   7.008
   19    HE2  PHE   2          2HE       PHE   2 -10.973   7.256   8.620
   20    HZ   PHE   2           HZ       PHE   2 -10.532   9.560   7.812
   21    H    SER   3           H        SER   3  -5.965   2.813  10.034
   22    HA   SER   3           HA       SER   3  -3.395   3.426  11.053
   23    HB2  SER   3          2HB       SER   3  -4.397   0.698  10.223
   24    HB3  SER   3          1HB       SER   3  -3.152   1.067  11.421
   25    HG   SER   3           HG       SER   3  -5.429   0.625  12.142
   26    H    LEU   4           H        LEU   4  -1.722   1.439  10.151
   27    HA   LEU   4           HA       LEU   4  -0.425   2.581   7.986
   28    HB2  LEU   4          2HB       LEU   4  -0.403  -0.317   8.863
   29    HB3  LEU   4          1HB       LEU   4   0.780   0.425   7.786
   30    HG   LEU   4           HG       LEU   4   0.237   1.651  10.483
   31   HD11  LEU   4          1HD1      LEU   4   1.943  -0.771   9.871
   32   HD12  LEU   4          2HD1      LEU   4   0.703  -0.601  11.114
   33   HD13  LEU   4          3HD1      LEU   4   2.235   0.258  11.275
   34   HD21  LEU   4          1HD2      LEU   4   2.655   2.280  10.205
   35   HD22  LEU   4          2HD2      LEU   4   1.622   2.921   8.931
   36   HD23  LEU   4          3HD2      LEU   4   2.632   1.510   8.619
   37    H    ILE   5           H        ILE   5  -0.281   2.059   5.773
   38    HA   ILE   5           HA       ILE   5  -2.646   1.649   4.424
   39    HB   ILE   5           HB       ILE   5  -1.347   2.409   2.840
   40   HG12  ILE   5          2HG1      ILE   5  -1.294  -0.004   2.101
   41   HG13  ILE   5          1HG1      ILE   5   0.086   0.945   1.549
   42   HG21  ILE   5          1HG2      ILE   5   0.213   3.195   4.494
   43   HG22  ILE   5          2HG2      ILE   5   1.136   2.567   3.130
   44   HG23  ILE   5          3HG2      ILE   5   0.971   1.605   4.598
   45   HD11  ILE   5          1HD1      ILE   5   1.508  -0.440   2.602
   46   HD12  ILE   5          2HD1      ILE   5   0.140  -1.456   3.056
   47   HD13  ILE   5          3HD1      ILE   5   0.687  -0.180   4.141
   48    HA   PRO   6           HA       PRO   6  -3.337  -2.612   4.457
   49    HB2  PRO   6          2HB       PRO   6  -5.270  -2.744   2.638
   50    HB3  PRO   6          1HB       PRO   6  -5.513  -1.815   4.140
   51    HG2  PRO   6          2HG       PRO   6  -4.716  -0.860   1.446
   52    HG3  PRO   6          1HG       PRO   6  -5.960  -0.202   2.522
   53    HD2  PRO   6          2HD       PRO   6  -3.421   0.837   2.321
   54    HD3  PRO   6          1HD       PRO   6  -4.390   0.942   3.807
   55    H    SER   7           H        SER   7  -3.209  -4.505   3.053
   56    HA   SER   7           HA       SER   7  -0.965  -4.553   1.412
   57    HB2  SER   7          2HB       SER   7  -1.704  -6.667   2.116
   58    HB3  SER   7          1HB       SER   7  -3.380  -6.337   1.659
   59    HG   SER   7           HG       SER   7  -2.652  -7.562   0.029
   60    H    LEU   8           H        LEU   8  -3.971  -3.093   0.904
   61    HA   LEU   8           HA       LEU   8  -4.194  -3.517  -1.936
   62    HB2  LEU   8          2HB       LEU   8  -5.948  -2.675  -0.086
   63    HB3  LEU   8          1HB       LEU   8  -5.416  -1.102  -0.695
   64    HG   LEU   8           HG       LEU   8  -5.792  -2.224  -3.059
   65   HD11  LEU   8          1HD1      LEU   8  -7.826  -3.742  -1.414
   66   HD12  LEU   8          2HD1      LEU   8  -6.293  -4.461  -1.903
   67   HD13  LEU   8          3HD1      LEU   8  -7.450  -3.935  -3.125
   68   HD21  LEU   8          1HD2      LEU   8  -8.257  -1.532  -2.876
   69   HD22  LEU   8          2HD2      LEU   8  -7.067  -0.308  -2.429
   70   HD23  LEU   8          3HD2      LEU   8  -7.926  -1.201  -1.174
   71    H    VAL   9           H        VAL   9  -3.345  -0.581  -0.062
   72    HA   VAL   9           HA       VAL   9  -2.378   0.770  -2.401
   73    HB   VAL   9           HB       VAL   9  -1.946   1.444   0.517
   74   HG11  VAL   9          1HG1      VAL   9  -1.655   3.756  -0.443
   75   HG12  VAL   9          2HG1      VAL   9  -1.639   3.026  -2.048
   76   HG13  VAL   9          3HG1      VAL   9  -0.373   2.628  -0.885
   77   HG21  VAL   9          1HG2      VAL   9  -4.302   1.400   0.128
   78   HG22  VAL   9          2HG2      VAL   9  -4.122   2.129  -1.468
   79   HG23  VAL   9          3HG2      VAL   9  -3.831   3.094  -0.020
   80    H    GLY  10           H        GLY  10  -0.903  -1.059   0.221
   81    HA2  GLY  10          2HA       GLY  10   1.794  -0.410  -0.442
   82    HA3  GLY  10          1HA       GLY  10   1.270  -1.726   0.602
   83    H    GLY  11           H        GLY  11  -0.498  -2.813  -1.516
   84    HA2  GLY  11          2HA       GLY  11   1.259  -4.703  -2.632
   85    HA3  GLY  11          1HA       GLY  11  -0.402  -4.432  -3.143
   86    H    LEU  12           H        LEU  12  -0.114  -1.721  -3.992
   87    HA   LEU  12           HA       LEU  12   0.685  -2.094  -6.649
   88    HB2  LEU  12          2HB       LEU  12   0.191   0.165  -6.995
   89    HB3  LEU  12          1HB       LEU  12  -0.814  -0.255  -5.604
   90    HG   LEU  12           HG       LEU  12   1.380   0.516  -4.266
   91   HD11  LEU  12          1HD1      LEU  12   2.781   1.978  -5.346
   92   HD12  LEU  12          2HD1      LEU  12   1.507   2.593  -6.397
   93   HD13  LEU  12          3HD1      LEU  12   2.288   1.058  -6.766
   94   HD21  LEU  12          1HD2      LEU  12  -0.582   2.488  -5.479
   95   HD22  LEU  12          2HD2      LEU  12   0.319   2.696  -3.978
   96   HD23  LEU  12          3HD2      LEU  12  -0.931   1.459  -4.091
   97    H    ILE  13           H        ILE  13   2.544  -1.202  -3.834
   98    HA   ILE  13           HA       ILE  13   4.774  -0.079  -5.206
   99    HB   ILE  13           HB       ILE  13   4.575  -1.388  -2.483
  100   HG12  ILE  13          2HG1      ILE  13   4.788   1.540  -3.246
  101   HG13  ILE  13          1HG1      ILE  13   3.247   0.728  -2.935
  102   HG21  ILE  13          1HG2      ILE  13   6.816   0.108  -3.860
  103   HG22  ILE  13          2HG2      ILE  13   6.875  -1.494  -3.123
  104   HG23  ILE  13          3HG2      ILE  13   6.727  -0.060  -2.107
  105   HD11  ILE  13          1HD1      ILE  13   5.550   1.082  -0.997
  106   HD12  ILE  13          2HD1      ILE  13   4.154   0.053  -0.679
  107   HD13  ILE  13          3HD1      ILE  13   3.941   1.792  -0.879
  108    H    SER  14           H        SER  14   4.005  -3.349  -4.067
  109    HA   SER  14           HA       SER  14   6.491  -4.493  -4.900
  110    HB2  SER  14          2HB       SER  14   5.188  -5.588  -3.175
  111    HB3  SER  14          1HB       SER  14   3.810  -5.754  -4.271
  112    HG   SER  14           HG       SER  14   6.010  -6.750  -5.428
  113    H    ALA  15           H        ALA  15   3.289  -4.161  -6.362
  114    HA   ALA  15           HA       ALA  15   3.667  -5.830  -8.587
  115    HB1  ALA  15          1HB       ALA  15   1.958  -3.385  -8.141
  116    HB2  ALA  15          2HB       ALA  15   1.459  -5.076  -8.165
  117    HB3  ALA  15          3HB       ALA  15   1.938  -4.276  -9.663
  118    H    PHE  16           H        PHE  16   4.193  -2.318  -8.255
  119    HA   PHE  16           HA       PHE  16   5.191  -1.930 -10.869
  120    HB2  PHE  16          2HB       PHE  16   4.360  -0.125  -9.329
  121    HB3  PHE  16          1HB       PHE  16   5.862  -0.294  -8.418
  122    HD1  PHE  16          1HD       PHE  16   7.900   0.657  -9.203
  123    HD2  PHE  16          2HD       PHE  16   4.462   0.504 -11.774
  124    HE1  PHE  16          1HE       PHE  16   9.058   2.119 -10.839
  125    HE2  PHE  16          2HE       PHE  16   5.618   1.965 -13.409
  126    HZ   PHE  16           HZ       PHE  16   7.916   2.774 -12.942
  127    H    LYS  17           H        LYS  17   6.689  -2.899  -7.853
  128    HA   LYS  17           HA       LYS  17   9.384  -2.476  -8.495
  129    HB2  LYS  17          2HB       LYS  17   8.369  -3.177  -6.250
  130    HB3  LYS  17          1HB       LYS  17   8.377  -4.821  -6.886
  131    HG2  LYS  17          2HG       LYS  17  10.457  -4.775  -5.857
  132    HG3  LYS  17          1HG       LYS  17  10.898  -4.236  -7.478
  133    HD2  LYS  17          2HD       LYS  17  10.788  -1.894  -6.758
  134    HD3  LYS  17          1HD       LYS  17  10.266  -2.395  -5.150
  135    HE2  LYS  17          2HE       LYS  17  12.412  -3.729  -4.977
  136    HE3  LYS  17          1HE       LYS  17  12.937  -2.943  -6.466
  137    HZ1  LYS  17          1HZ       LYS  17  13.566  -1.906  -4.212
  138    HZ2  LYS  17          2HZ       LYS  17  11.969  -1.329  -4.202
  139    HZ3  LYS  17          3HZ       LYS  17  13.027  -0.890  -5.458
  140    HN1  NH2  17          1H        LYS  17   7.278  -5.276  -9.251
  141    HN2  NH2  17          2H        LYS  17   8.387  -6.010 -10.320


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