*HEADER    MEMBRANE PROTEIN                        29-NOV-17   6F3Y              
*TITLE     BACKBONE STRUCTURE OF DES-ARG10-KALLIDIN (DAKD) PEPTIDE BOUND TO HUMAN
*TITLE    2 BRADYKININ 1 RECEPTOR (B1R) DETERMINED BY DNP-ENHANCED MAS SSNMR     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KININOGEN-1;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ALPHA-2-THIOL PROTEINASE INHIBITOR,FITZGERALD FACTOR,HIGH   
*COMPND   5 MOLECULAR WEIGHT KININOGEN,HMWK,WILLIAMS-FITZGERALD-FLAUJEAC FACTOR; 
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: DAKD PEPTIDE BOUND TO HUMAN B1R SYNONYMS: LYS-DES-ARG9
*COMPND   8 BRADYKININ                                                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS              
*KEYWDS    GPCR, DNP, MEMBRANE PROTEIN                                           
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    10                                                                    
*AUTHOR    J.MAO,G.KUENZE,L.JOEDICKE,J.MEILER,H.MICHEL,C.GLAUBITZ                
*REVDAT   1   10-JAN-18 6F3Y    0                                                
# Restraints file 1: DAKD_bound_tor.aco
#Talos contraints =10 only
2	ARG	PHI	-144.652	-90.678
2	ARG	PSI	108.613		163.389
3	PRO	PSI	136.74		162.844
4	PRO	PSI	127.986		147.732
5	GLY	PHI	82.029		104.157
5	GLY	PSI	-23.283		-4.891
6	PHE	PHI	-85.552		-59.23
6	PHE	PSI	130.452		154.5
7	SER	PHI	-131.653	-85.921
7	SER	PSI	121.394		189.928
8	PRO	PSI	139.993		155.951
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H        LYS   1   1.806   0.000   0.856
    2    HA   LYS   1           HA       LYS   1   2.035  -0.992  -1.666
    3    HB2  LYS   1          2HB       LYS   1   0.743   1.583  -1.727
    4    HB3  LYS   1          3HB       LYS   1   2.285   1.664  -2.569
    5    HG2  LYS   1          2HG       LYS   1   1.012   0.997  -4.306
    6    HG3  LYS   1          3HG       LYS   1   1.351  -0.599  -3.631
    7    HD2  LYS   1          2HD       LYS   1  -0.914  -0.762  -3.798
    8    HD3  LYS   1          3HD       LYS   1  -0.815  -0.021  -2.199
    9    HE2  LYS   1          2HE       LYS   1  -1.100   2.196  -3.249
   10    HE3  LYS   1          3HE       LYS   1  -1.282   1.407  -4.816
   11    HZ1  LYS   1          1HZ       LYS   1  -3.364   2.045  -3.432
   12    HZ2  LYS   1          2HZ       LYS   1  -3.033   0.613  -2.594
   13    HZ3  LYS   1          3HZ       LYS   1  -3.327   0.569  -4.259
   14    H    ARG   2           H        ARG   2   3.029   1.819   0.254
   15    HA   ARG   2           HA       ARG   2   5.825   1.240  -0.462
   16    HB2  ARG   2          2HB       ARG   2   4.331   3.736   0.034
   17    HB3  ARG   2          3HB       ARG   2   5.938   3.670   0.746
   18    HG2  ARG   2          2HG       ARG   2   6.718   4.330  -1.221
   19    HG3  ARG   2          3HG       ARG   2   6.300   2.729  -1.835
   20    HD2  ARG   2          2HD       ARG   2   4.315   3.466  -2.774
   21    HD3  ARG   2          3HD       ARG   2   4.224   4.876  -1.720
   22    HE   ARG   2           HE       ARG   2   5.515   4.716  -4.256
   23   HH11  ARG   2          1HH1      ARG   2   5.663   6.245  -1.132
   24   HH12  ARG   2          2HH1      ARG   2   6.496   7.648  -1.714
   25   HH21  ARG   2          1HH2      ARG   2   6.611   6.559  -5.034
   26   HH22  ARG   2          2HH2      ARG   2   7.034   7.826  -3.934
   27    HA   PRO   3           HA       PRO   3   6.854   0.117   3.651
   28    HB2  PRO   3          2HB       PRO   3   9.292   1.266   3.983
   29    HB3  PRO   3          3HB       PRO   3   9.025  -0.136   2.940
   30    HG2  PRO   3          2HG       PRO   3   9.258   2.756   2.203
   31    HG3  PRO   3          3HG       PRO   3   9.963   1.338   1.406
   32    HD2  PRO   3          2HD       PRO   3   7.733   2.567   0.485
   33    HD3  PRO   3          3HD       PRO   3   8.002   0.821   0.311
   34    HA   PRO   4           HA       PRO   4   5.891   3.223   6.610
   35    HB2  PRO   4          2HB       PRO   4   7.422   2.520   8.739
   36    HB3  PRO   4          3HB       PRO   4   6.004   1.596   8.228
   37    HG2  PRO   4          2HG       PRO   4   8.902   1.075   7.686
   38    HG3  PRO   4          3HG       PRO   4   7.626  -0.068   8.143
   39    HD2  PRO   4          2HD       PRO   4   8.481   0.215   5.589
   40    HD3  PRO   4          3HD       PRO   4   6.804  -0.206   5.994
   41    H    GLY   5           H        GLY   5   6.498   5.252   7.197
   42    HA2  GLY   5          2HA       GLY   5   8.054   6.906   7.895
   43    HA3  GLY   5          3HA       GLY   5   9.354   5.916   7.249
   44    H    PHE   6           H        PHE   6   7.623   5.529   4.766
   45    HA   PHE   6           HA       PHE   6   8.706   7.792   3.340
   46    HB2  PHE   6          2HB       PHE   6   7.942   5.124   2.695
   47    HB3  PHE   6          3HB       PHE   6   7.019   6.216   1.667
   48    HD1  PHE   6           HD1      PHE   6   8.280   7.937   0.309
   49    HD2  PHE   6           HD2      PHE   6  10.186   4.663   2.250
   50    HE1  PHE   6           HE1      PHE   6  10.235   8.209  -1.159
   51    HE2  PHE   6           HE2      PHE   6  12.144   4.931   0.786
   52    HZ   PHE   6           HZ       PHE   6  12.171   6.706  -0.921
   53    H    SER   7           H        SER   7   7.580   9.400   2.301
   54    HA   SER   7           HA       SER   7   4.676   9.507   2.771
   55    HB2  SER   7          2HB       SER   7   6.760  11.379   3.655
   56    HB3  SER   7          3HB       SER   7   5.413  12.151   2.819
   57    HG   SER   7           HG       SER   7   4.026  11.393   4.336
   58    HA   PRO   8           HA       PRO   8   4.194  10.628  -1.442
   59    HB2  PRO   8          2HB       PRO   8   2.193  12.460  -1.337
   60    HB3  PRO   8          3HB       PRO   8   1.931  10.734  -1.057
   61    HG2  PRO   8          2HG       PRO   8   2.241  12.950   0.932
   62    HG3  PRO   8          3HG       PRO   8   1.092  11.600   0.932
   63    HD2  PRO   8          2HD       PRO   8   3.337  11.603   2.446
   64    HD3  PRO   8          3HD       PRO   8   2.644  10.115   1.769
   65    H    PHE   9           H        PHE   9   5.018  12.017  -2.924
   66    HA   PHE   9           HA       PHE   9   5.289  14.814  -2.510
   67    HB2  PHE   9          2HB       PHE   9   7.104  13.912  -1.015
   68    HB3  PHE   9          3HB       PHE   9   7.880  13.261  -2.455
   69    HD1  PHE   9           HD1      PHE   9   8.748  14.801  -4.189
   70    HD2  PHE   9           HD2      PHE   9   7.265  16.204  -0.454
   71    HE1  PHE   9           HE1      PHE   9   9.883  16.954  -4.551
   72    HE2  PHE   9           HE2      PHE   9   8.397  18.359  -0.811
   73    HZ   PHE   9           HZ       PHE   9   9.707  18.737  -2.862
  Start of MODEL    2
    1    H1   LYS   1           H        LYS   1  -0.297   0.334   0.736
    2    HA   LYS   1           HA       LYS   1   1.169  -0.807  -0.888
    3    HB2  LYS   1          2HB       LYS   1  -0.059   1.618  -1.255
    4    HB3  LYS   1          3HB       LYS   1   1.600   1.979  -1.715
    5    HG2  LYS   1          2HG       LYS   1   0.893  -0.483  -2.921
    6    HG3  LYS   1          3HG       LYS   1  -0.418   0.663  -3.215
    7    HD2  LYS   1          2HD       LYS   1   1.062   2.223  -4.230
    8    HD3  LYS   1          3HD       LYS   1   2.482   1.320  -3.697
    9    HE2  LYS   1          2HE       LYS   1   2.265   0.765  -5.956
   10    HE3  LYS   1          3HE       LYS   1   1.553  -0.605  -5.106
   11    HZ1  LYS   1          1HZ       LYS   1  -0.545  -0.045  -5.767
   12    HZ2  LYS   1          2HZ       LYS   1   0.329   0.502  -7.107
   13    HZ3  LYS   1          3HZ       LYS   1  -0.194   1.601  -5.932
   14    H    ARG   2           H        ARG   2   2.646   2.241   0.244
   15    HA   ARG   2           HA       ARG   2   5.285   1.186  -0.398
   16    HB2  ARG   2          2HB       ARG   2   4.147   3.874   0.163
   17    HB3  ARG   2          3HB       ARG   2   5.832   3.613   0.593
   18    HG2  ARG   2          2HG       ARG   2   5.352   2.591  -2.034
   19    HG3  ARG   2          3HG       ARG   2   4.766   4.252  -1.923
   20    HD2  ARG   2          2HD       ARG   2   7.059   4.676  -0.750
   21    HD3  ARG   2          3HD       ARG   2   7.532   3.183  -1.559
   22    HE   ARG   2           HE       ARG   2   6.425   4.686  -3.539
   23   HH11  ARG   2          1HH1      ARG   2   8.965   5.201  -1.215
   24   HH12  ARG   2          2HH1      ARG   2   9.863   6.272  -2.238
   25   HH21  ARG   2          1HH2      ARG   2   7.597   6.095  -4.896
   26   HH22  ARG   2          2HH2      ARG   2   9.084   6.781  -4.332
   27    HA   PRO   3           HA       PRO   3   6.505   0.151   3.686
   28    HB2  PRO   3          2HB       PRO   3   9.073   1.028   3.774
   29    HB3  PRO   3          3HB       PRO   3   8.571  -0.382   2.834
   30    HG2  PRO   3          2HG       PRO   3   9.064   2.425   1.920
   31    HG3  PRO   3          3HG       PRO   3   9.543   0.899   1.155
   32    HD2  PRO   3          2HD       PRO   3   7.397   2.331   0.332
   33    HD3  PRO   3          3HD       PRO   3   7.456   0.559   0.236
   34    HA   PRO   4           HA       PRO   4   6.126   3.485   6.528
   35    HB2  PRO   4          2HB       PRO   4   7.733   2.714   8.575
   36    HB3  PRO   4          3HB       PRO   4   6.187   1.934   8.222
   37    HG2  PRO   4          2HG       PRO   4   8.957   1.060   7.500
   38    HG3  PRO   4          3HG       PRO   4   7.603   0.093   8.113
   39    HD2  PRO   4          2HD       PRO   4   8.280   0.155   5.492
   40    HD3  PRO   4          3HD       PRO   4   6.604  -0.052   6.041
   41    H    GLY   5           H        GLY   5   7.022   5.439   7.052
   42    HA2  GLY   5          2HA       GLY   5   8.888   6.849   7.590
   43    HA3  GLY   5          3HA       GLY   5   9.922   5.767   6.670
   44    H    PHE   6           H        PHE   6   7.696   5.740   4.562
   45    HA   PHE   6           HA       PHE   6   8.822   7.800   2.941
   46    HB2  PHE   6          2HB       PHE   6   8.095   5.741   1.904
   47    HB3  PHE   6          3HB       PHE   6   6.455   5.971   2.501
   48    HD1  PHE   6           HD1      PHE   6   8.916   8.082   0.647
   49    HD2  PHE   6           HD2      PHE   6   4.976   6.484   0.836
   50    HE1  PHE   6           HE1      PHE   6   8.336   9.276  -1.425
   51    HE2  PHE   6           HE2      PHE   6   4.390   7.674  -1.236
   52    HZ   PHE   6           HZ       PHE   6   6.071   9.072  -2.370
   53    H    SER   7           H        SER   7   8.082   9.793   2.472
   54    HA   SER   7           HA       SER   7   5.707  10.707   3.932
   55    HB2  SER   7          2HB       SER   7   8.295  11.853   3.405
   56    HB3  SER   7          3HB       SER   7   7.035  12.915   2.776
   57    HG   SER   7           HG       SER   7   7.059  13.527   4.819
   58    HA   PRO   8           HA       PRO   8   3.307  11.421   0.331
   59    HB2  PRO   8          2HB       PRO   8   2.094  13.784   0.893
   60    HB3  PRO   8          3HB       PRO   8   1.672  12.271   1.704
   61    HG2  PRO   8          2HG       PRO   8   3.438  14.497   2.647
   62    HG3  PRO   8          3HG       PRO   8   2.215  13.582   3.547
   63    HD2  PRO   8          2HD       PRO   8   4.865  13.063   3.749
   64    HD3  PRO   8          3HD       PRO   8   3.630  11.796   3.899
   65    H    PHE   9           H        PHE   9   3.280  12.477  -1.641
   66    HA   PHE   9           HA       PHE   9   5.114  14.758  -1.947
   67    HB2  PHE   9          2HB       PHE   9   5.175  12.127  -3.274
   68    HB3  PHE   9          3HB       PHE   9   5.335  13.504  -4.358
   69    HD1  PHE   9           HD1      PHE   9   6.684  12.311  -1.089
   70    HD2  PHE   9           HD2      PHE   9   7.450  14.274  -4.788
   71    HE1  PHE   9           HE1      PHE   9   9.064  12.495  -0.495
   72    HE2  PHE   9           HE2      PHE   9   9.832  14.459  -4.199
   73    HZ   PHE   9           HZ       PHE   9  10.642  13.568  -2.051
  Start of MODEL    3
    1    H1   LYS   1           H        LYS   1   1.168   1.363  -5.201
    2    HA   LYS   1           HA       LYS   1   1.349   2.395  -3.153
    3    HB2  LYS   1          2HB       LYS   1   1.085   0.824  -1.300
    4    HB3  LYS   1          3HB       LYS   1   0.092   0.346  -2.671
    5    HG2  LYS   1          2HG       LYS   1   1.472  -1.462  -3.192
    6    HG3  LYS   1          3HG       LYS   1   2.811  -0.833  -2.230
    7    HD2  LYS   1          2HD       LYS   1   1.121  -1.087  -0.250
    8    HD3  LYS   1          3HD       LYS   1   0.318  -2.219  -1.341
    9    HE2  LYS   1          2HE       LYS   1   1.924  -3.771  -1.103
   10    HE3  LYS   1          3HE       LYS   1   3.220  -2.577  -1.146
   11    HZ1  LYS   1          1HZ       LYS   1   2.393  -1.997   1.203
   12    HZ2  LYS   1          2HZ       LYS   1   3.327  -3.392   0.996
   13    HZ3  LYS   1          3HZ       LYS   1   1.648  -3.515   1.163
   14    H    ARG   2           H        ARG   2   2.650   2.771  -1.195
   15    HA   ARG   2           HA       ARG   2   5.486   2.118  -1.659
   16    HB2  ARG   2          2HB       ARG   2   4.126   4.649  -0.881
   17    HB3  ARG   2          3HB       ARG   2   5.700   4.321  -0.171
   18    HG2  ARG   2          2HG       ARG   2   6.526   5.295  -1.995
   19    HG3  ARG   2          3HG       ARG   2   6.138   3.781  -2.814
   20    HD2  ARG   2          2HD       ARG   2   5.275   5.706  -4.046
   21    HD3  ARG   2          3HD       ARG   2   3.967   4.677  -3.464
   22    HE   ARG   2           HE       ARG   2   3.246   6.397  -2.127
   23   HH11  ARG   2          1HH1      ARG   2   6.441   7.110  -3.311
   24   HH12  ARG   2          2HH1      ARG   2   6.434   8.742  -2.730
   25   HH21  ARG   2          1HH2      ARG   2   3.224   8.544  -1.358
   26   HH22  ARG   2          2HH2      ARG   2   4.603   9.557  -1.619
   27    HA   PRO   3           HA       PRO   3   5.799   0.358   2.346
   28    HB2  PRO   3          2HB       PRO   3   8.235   1.219   3.179
   29    HB3  PRO   3          3HB       PRO   3   8.028   0.002   1.914
   30    HG2  PRO   3          2HG       PRO   3   8.579   2.933   1.651
   31    HG3  PRO   3          3HG       PRO   3   9.292   1.576   0.760
   32    HD2  PRO   3          2HD       PRO   3   7.321   3.121  -0.270
   33    HD3  PRO   3          3HD       PRO   3   7.486   1.398  -0.661
   34    HA   PRO   4           HA       PRO   4   4.628   3.111   5.568
   35    HB2  PRO   4          2HB       PRO   4   5.766   1.987   7.762
   36    HB3  PRO   4          3HB       PRO   4   4.378   1.276   6.928
   37    HG2  PRO   4          2HG       PRO   4   7.279   0.566   6.723
   38    HG3  PRO   4          3HG       PRO   4   5.869  -0.505   6.825
   39    HD2  PRO   4          2HD       PRO   4   7.118   0.041   4.485
   40    HD3  PRO   4          3HD       PRO   4   5.373  -0.273   4.586
   41    H    GLY   5           H        GLY   5   5.285   4.984   6.502
   42    HA2  GLY   5          2HA       GLY   5   6.849   6.354   7.673
   43    HA3  GLY   5          3HA       GLY   5   8.151   5.366   7.026
   44    H    PHE   6           H        PHE   6   6.710   5.530   4.333
   45    HA   PHE   6           HA       PHE   6   8.192   7.777   3.364
   46    HB2  PHE   6          2HB       PHE   6   6.904   5.464   2.249
   47    HB3  PHE   6          3HB       PHE   6   6.396   6.899   1.364
   48    HD1  PHE   6           HD1      PHE   6   9.554   5.512   2.799
   49    HD2  PHE   6           HD2      PHE   6   7.633   7.420  -0.486
   50    HE1  PHE   6           HE1      PHE   6  11.672   5.483   1.547
   51    HE2  PHE   6           HE2      PHE   6   9.748   7.393  -1.743
   52    HZ   PHE   6           HZ       PHE   6  11.771   6.424  -0.727
   53    H    SER   7           H        SER   7   7.526   9.792   2.939
   54    HA   SER   7           HA       SER   7   4.639  10.359   3.113
   55    HB2  SER   7          2HB       SER   7   6.380  12.587   3.870
   56    HB3  SER   7          3HB       SER   7   4.957  11.942   4.687
   57    HG   SER   7           HG       SER   7   7.648  11.301   5.013
   58    HA   PRO   8           HA       PRO   8   4.903  12.509  -0.701
   59    HB2  PRO   8          2HB       PRO   8   3.260  14.632  -0.294
   60    HB3  PRO   8          3HB       PRO   8   2.664  12.978  -0.484
   61    HG2  PRO   8          2HG       PRO   8   3.104  14.557   2.022
   62    HG3  PRO   8          3HG       PRO   8   1.744  13.505   1.586
   63    HD2  PRO   8          2HD       PRO   8   3.743  12.699   3.226
   64    HD3  PRO   8          3HD       PRO   8   2.891  11.583   2.139
   65    H    PHE   9           H        PHE   9   5.929  14.194  -1.763
   66    HA   PHE   9           HA       PHE   9   7.113  16.312  -0.112
   67    HB2  PHE   9          2HB       PHE   9   9.275  16.035  -1.194
   68    HB3  PHE   9          3HB       PHE   9   8.799  14.528  -0.420
   69    HD1  PHE   9           HD1      PHE   9   9.877  16.070  -3.432
   70    HD2  PHE   9           HD2      PHE   9   7.711  12.743  -1.899
   71    HE1  PHE   9           HE1      PHE   9  10.201  14.882  -5.563
   72    HE2  PHE   9           HE2      PHE   9   8.032  11.549  -4.026
   73    HZ   PHE   9           HZ       PHE   9   9.279  12.618  -5.861
  Start of MODEL    4
    1    H1   LYS   1           H        LYS   1   1.067   2.320  -1.451
    2    HA   LYS   1           HA       LYS   1   1.629   0.066  -1.090
    3    HB2  LYS   1          2HB       LYS   1   2.809   0.029  -3.867
    4    HB3  LYS   1          3HB       LYS   1   2.450  -1.347  -2.832
    5    HG2  LYS   1          2HG       LYS   1   0.013  -0.068  -3.105
    6    HG3  LYS   1          3HG       LYS   1   0.750   0.060  -4.704
    7    HD2  LYS   1          2HD       LYS   1   0.019  -2.020  -5.057
    8    HD3  LYS   1          3HD       LYS   1   1.287  -2.543  -3.947
    9    HE2  LYS   1          2HE       LYS   1  -1.487  -1.752  -3.075
   10    HE3  LYS   1          3HE       LYS   1  -1.007  -3.412  -3.426
   11    HZ1  LYS   1          1HZ       LYS   1   0.647  -3.278  -1.684
   12    HZ2  LYS   1          2HZ       LYS   1  -0.881  -2.911  -1.059
   13    HZ3  LYS   1          3HZ       LYS   1   0.229  -1.670  -1.361
   14    H    ARG   2           H        ARG   2   3.000   2.375  -0.363
   15    HA   ARG   2           HA       ARG   2   5.827   1.705  -0.799
   16    HB2  ARG   2          2HB       ARG   2   4.359   4.216  -0.229
   17    HB3  ARG   2          3HB       ARG   2   5.942   4.050   0.518
   18    HG2  ARG   2          2HG       ARG   2   6.971   4.503  -1.392
   19    HG3  ARG   2          3HG       ARG   2   6.030   3.288  -2.259
   20    HD2  ARG   2          2HD       ARG   2   4.774   5.900  -1.538
   21    HD3  ARG   2          3HD       ARG   2   5.862   5.809  -2.923
   22    HE   ARG   2           HE       ARG   2   3.190   4.806  -2.766
   23   HH11  ARG   2          1HH1      ARG   2   6.298   4.332  -4.261
   24   HH12  ARG   2          2HH1      ARG   2   5.650   3.542  -5.660
   25   HH21  ARG   2          1HH2      ARG   2   2.325   3.768  -4.604
   26   HH22  ARG   2          2HH2      ARG   2   3.390   3.223  -5.855
   27    HA   PRO   3           HA       PRO   3   6.455   0.327   3.318
   28    HB2  PRO   3          2HB       PRO   3   8.879   1.385   3.930
   29    HB3  PRO   3          3HB       PRO   3   8.674   0.051   2.788
   30    HG2  PRO   3          2HG       PRO   3   9.041   2.972   2.242
   31    HG3  PRO   3          3HG       PRO   3   9.782   1.580   1.430
   32    HD2  PRO   3          2HD       PRO   3   7.673   2.922   0.389
   33    HD3  PRO   3          3HD       PRO   3   7.915   1.181   0.138
   34    HA   PRO   4           HA       PRO   4   5.303   3.291   6.354
   35    HB2  PRO   4          2HB       PRO   4   6.619   2.428   8.566
   36    HB3  PRO   4          3HB       PRO   4   5.232   1.574   7.879
   37    HG2  PRO   4          2HG       PRO   4   8.153   1.001   7.566
   38    HG3  PRO   4          3HG       PRO   4   6.815  -0.129   7.842
   39    HD2  PRO   4          2HD       PRO   4   7.902   0.271   5.395
   40    HD3  PRO   4          3HD       PRO   4   6.187  -0.123   5.625
   41    H    GLY   5           H        GLY   5   5.905   5.260   7.131
   42    HA2  GLY   5          2HA       GLY   5   7.442   6.816   8.065
   43    HA3  GLY   5          3HA       GLY   5   8.764   5.840   7.443
   44    H    PHE   6           H        PHE   6   7.174   5.687   4.828
   45    HA   PHE   6           HA       PHE   6   8.553   7.747   3.489
   46    HB2  PHE   6          2HB       PHE   6   7.615   5.504   2.579
   47    HB3  PHE   6          3HB       PHE   6   6.122   6.405   2.342
   48    HD1  PHE   6           HD1      PHE   6   6.251   8.545   0.944
   49    HD2  PHE   6           HD2      PHE   6   9.297   5.572   0.983
   50    HE1  PHE   6           HE1      PHE   6   7.102   9.393  -1.204
   51    HE2  PHE   6           HE2      PHE   6  10.154   6.416  -1.163
   52    HZ   PHE   6           HZ       PHE   6   9.056   8.329  -2.259
   53    H    SER   7           H        SER   7   7.921   9.719   2.717
   54    HA   SER   7           HA       SER   7   5.283  10.684   3.610
   55    HB2  SER   7          2HB       SER   7   7.993  11.869   3.833
   56    HB3  SER   7          3HB       SER   7   6.688  12.979   3.413
   57    HG   SER   7           HG       SER   7   6.218  12.950   5.451
   58    HA   PRO   8           HA       PRO   8   4.305  11.904  -0.487
   59    HB2  PRO   8          2HB       PRO   8   3.035  14.273  -0.108
   60    HB3  PRO   8          3HB       PRO   8   2.318  12.718   0.330
   61    HG2  PRO   8          2HG       PRO   8   3.703  14.721   2.070
   62    HG3  PRO   8          3HG       PRO   8   2.219  13.801   2.385
   63    HD2  PRO   8          2HD       PRO   8   4.619  13.096   3.421
   64    HD3  PRO   8          3HD       PRO   8   3.376  11.903   2.992
   65    H    PHE   9           H        PHE   9   5.140  13.009  -2.199
   66    HA   PHE   9           HA       PHE   9   6.409  15.552  -1.962
   67    HB2  PHE   9          2HB       PHE   9   8.060  13.686  -1.058
   68    HB3  PHE   9          3HB       PHE   9   8.353  13.436  -2.776
   69    HD1  PHE   9           HD1      PHE   9   7.996  16.344  -0.457
   70    HD2  PHE   9           HD2      PHE   9  10.186  14.512  -3.614
   71    HE1  PHE   9           HE1      PHE   9   9.570  18.235  -0.458
   72    HE2  PHE   9           HE2      PHE   9  11.763  16.400  -3.620
   73    HZ   PHE   9           HZ       PHE   9  11.457  18.265  -2.040
  Start of MODEL    5
    1    H1   LYS   1           H        LYS   1   3.544   1.924  -5.410
    2    HA   LYS   1           HA       LYS   1   2.162   3.093  -3.084
    3    HB2  LYS   1          2HB       LYS   1   1.776   0.552  -3.957
    4    HB3  LYS   1          3HB       LYS   1   3.120   0.309  -2.849
    5    HG2  LYS   1          2HG       LYS   1   1.892   0.973  -1.006
    6    HG3  LYS   1          3HG       LYS   1   0.720   1.862  -1.981
    7    HD2  LYS   1          2HD       LYS   1  -0.335  -0.132  -1.171
    8    HD3  LYS   1          3HD       LYS   1  -0.060  -0.319  -2.905
    9    HE2  LYS   1          2HE       LYS   1   1.514  -1.941  -2.619
   10    HE3  LYS   1          3HE       LYS   1   2.061  -1.289  -1.074
   11    HZ1  LYS   1          1HZ       LYS   1   0.927  -3.405  -0.798
   12    HZ2  LYS   1          2HZ       LYS   1  -0.470  -2.779  -1.518
   13    HZ3  LYS   1          3HZ       LYS   1   0.066  -2.163  -0.036
   14    H    ARG   2           H        ARG   2   3.357   2.751  -1.012
   15    HA   ARG   2           HA       ARG   2   6.255   2.527  -1.341
   16    HB2  ARG   2          2HB       ARG   2   4.759   4.961  -0.556
   17    HB3  ARG   2          3HB       ARG   2   6.188   4.586   0.398
   18    HG2  ARG   2          2HG       ARG   2   7.589   5.164  -1.248
   19    HG3  ARG   2          3HG       ARG   2   6.594   4.407  -2.494
   20    HD2  ARG   2          2HD       ARG   2   5.841   6.998  -1.166
   21    HD3  ARG   2          3HD       ARG   2   6.849   6.930  -2.611
   22    HE   ARG   2           HE       ARG   2   4.011   6.498  -2.453
   23   HH11  ARG   2          1HH1      ARG   2   6.911   5.860  -4.272
   24   HH12  ARG   2          2HH1      ARG   2   6.072   5.589  -5.763
   25   HH21  ARG   2          1HH2      ARG   2   2.895   6.143  -4.410
   26   HH22  ARG   2          2HH2      ARG   2   3.788   5.751  -5.841
   27    HA   PRO   3           HA       PRO   3   6.183   0.395   2.492
   28    HB2  PRO   3          2HB       PRO   3   8.494   1.208   3.662
   29    HB3  PRO   3          3HB       PRO   3   8.453   0.115   2.273
   30    HG2  PRO   3          2HG       PRO   3   8.955   3.065   2.348
   31    HG3  PRO   3          3HG       PRO   3   9.793   1.811   1.415
   32    HD2  PRO   3          2HD       PRO   3   7.905   3.419   0.327
   33    HD3  PRO   3          3HD       PRO   3   8.154   1.743  -0.204
   34    HA   PRO   4           HA       PRO   4   4.606   2.808   5.812
   35    HB2  PRO   4          2HB       PRO   4   5.530   1.495   8.001
   36    HB3  PRO   4          3HB       PRO   4   4.258   0.848   6.958
   37    HG2  PRO   4          2HG       PRO   4   7.181   0.203   7.003
   38    HG3  PRO   4          3HG       PRO   4   5.796  -0.893   6.851
   39    HD2  PRO   4          2HD       PRO   4   7.273  -0.107   4.722
   40    HD3  PRO   4          3HD       PRO   4   5.536  -0.454   4.603
   41    H    GLY   5           H        GLY   5   5.109   4.575   7.023
   42    HA2  GLY   5          2HA       GLY   5   6.480   5.893   8.432
   43    HA3  GLY   5          3HA       GLY   5   7.870   4.943   7.927
   44    H    PHE   6           H        PHE   6   6.808   5.286   5.067
   45    HA   PHE   6           HA       PHE   6   8.460   7.502   4.409
   46    HB2  PHE   6          2HB       PHE   6   7.823   5.393   3.001
   47    HB3  PHE   6          3HB       PHE   6   6.445   6.367   2.501
   48    HD1  PHE   6           HD1      PHE   6  10.154   6.586   2.795
   49    HD2  PHE   6           HD2      PHE   6   6.655   7.704   0.644
   50    HE1  PHE   6           HE1      PHE   6  11.554   7.684   1.095
   51    HE2  PHE   6           HE2      PHE   6   8.049   8.803  -1.060
   52    HZ   PHE   6           HZ       PHE   6  10.502   8.793  -0.836
   53    H    SER   7           H        SER   7   7.872   9.489   3.446
   54    HA   SER   7           HA       SER   7   5.198  10.418   4.248
   55    HB2  SER   7          2HB       SER   7   7.102  12.509   3.539
   56    HB3  SER   7          3HB       SER   7   6.154  12.306   5.012
   57    HG   SER   7           HG       SER   7   7.861  11.538   5.950
   58    HA   PRO   8           HA       PRO   8   3.984  11.277   0.122
   59    HB2  PRO   8          2HB       PRO   8   2.675  13.642   0.375
   60    HB3  PRO   8          3HB       PRO   8   2.021  12.113   0.974
   61    HG2  PRO   8          2HG       PRO   8   3.440  14.281   2.472
   62    HG3  PRO   8          3HG       PRO   8   1.999  13.359   2.937
   63    HD2  PRO   8          2HD       PRO   8   4.465  12.791   3.900
   64    HD3  PRO   8          3HD       PRO   8   3.232  11.541   3.634
   65    H    PHE   9           H        PHE   9   4.536  12.407  -1.734
   66    HA   PHE   9           HA       PHE   9   6.835  14.180  -1.457
   67    HB2  PHE   9          2HB       PHE   9   6.482  12.120  -3.122
   68    HB3  PHE   9          3HB       PHE   9   5.802  13.389  -4.134
   69    HD1  PHE   9           HD1      PHE   9   7.280  15.541  -4.363
   70    HD2  PHE   9           HD2      PHE   9   8.742  11.712  -3.214
   71    HE1  PHE   9           HE1      PHE   9   9.546  16.199  -5.062
   72    HE2  PHE   9           HE2      PHE   9  11.010  12.365  -3.910
   73    HZ   PHE   9           HZ       PHE   9  11.414  14.611  -4.835
  Start of MODEL    6
    1    H1   LYS   1           H        LYS   1   1.425   1.696   0.155
    2    HA   LYS   1           HA       LYS   1   1.822   0.773  -2.530
    3    HB2  LYS   1          2HB       LYS   1   1.012   3.517  -2.077
    4    HB3  LYS   1          3HB       LYS   1   2.605   3.445  -2.819
    5    HG2  LYS   1          2HG       LYS   1   1.217   3.513  -4.651
    6    HG3  LYS   1          3HG       LYS   1   1.486   1.779  -4.461
    7    HD2  LYS   1          2HD       LYS   1  -0.719   2.373  -2.847
    8    HD3  LYS   1          3HD       LYS   1  -0.974   3.280  -4.339
    9    HE2  LYS   1          2HE       LYS   1  -1.942   1.248  -4.847
   10    HE3  LYS   1          3HE       LYS   1  -0.315   1.043  -5.493
   11    HZ1  LYS   1          1HZ       LYS   1  -0.726   0.240  -2.725
   12    HZ2  LYS   1          2HZ       LYS   1   0.211  -0.481  -3.934
   13    HZ3  LYS   1          3HZ       LYS   1  -1.462  -0.727  -3.902
   14    H    ARG   2           H        ARG   2   3.040   2.997  -0.036
   15    HA   ARG   2           HA       ARG   2   5.753   1.981  -0.564
   16    HB2  ARG   2          2HB       ARG   2   4.686   4.634   0.133
   17    HB3  ARG   2          3HB       ARG   2   6.119   4.164   1.037
   18    HG2  ARG   2          2HG       ARG   2   6.974   5.290  -0.800
   19    HG3  ARG   2          3HG       ARG   2   7.129   3.591  -1.251
   20    HD2  ARG   2          2HD       ARG   2   4.606   4.259  -2.137
   21    HD3  ARG   2          3HD       ARG   2   5.547   5.714  -2.463
   22    HE   ARG   2           HE       ARG   2   5.739   3.200  -3.813
   23   HH11  ARG   2          1HH1      ARG   2   7.510   6.048  -2.879
   24   HH12  ARG   2          2HH1      ARG   2   8.663   5.912  -4.165
   25   HH21  ARG   2          1HH2      ARG   2   7.251   3.010  -5.511
   26   HH22  ARG   2          2HH2      ARG   2   8.514   4.184  -5.662
   27    HA   PRO   3           HA       PRO   3   6.041   0.128   3.401
   28    HB2  PRO   3          2HB       PRO   3   8.586   0.716   4.142
   29    HB3  PRO   3          3HB       PRO   3   8.200  -0.450   2.871
   30    HG2  PRO   3          2HG       PRO   3   9.045   2.411   2.624
   31    HG3  PRO   3          3HG       PRO   3   9.575   1.003   1.685
   32    HD2  PRO   3          2HD       PRO   3   7.737   2.763   0.760
   33    HD3  PRO   3          3HD       PRO   3   7.704   1.039   0.339
   34    HA   PRO   4           HA       PRO   4   5.296   2.931   6.706
   35    HB2  PRO   4          2HB       PRO   4   6.397   1.656   8.835
   36    HB3  PRO   4          3HB       PRO   4   4.910   1.108   8.051
   37    HG2  PRO   4          2HG       PRO   4   7.710   0.103   7.714
   38    HG3  PRO   4          3HG       PRO   4   6.201  -0.817   7.861
   39    HD2  PRO   4          2HD       PRO   4   7.404  -0.363   5.478
   40    HD3  PRO   4          3HD       PRO   4   5.642  -0.494   5.648
   41    H    GLY   5           H        GLY   5   6.189   4.766   7.451
   42    HA2  GLY   5          2HA       GLY   5   7.919   5.955   8.614
   43    HA3  GLY   5          3HA       GLY   5   9.088   4.818   7.958
   44    H    PHE   6           H        PHE   6   7.585   5.118   5.298
   45    HA   PHE   6           HA       PHE   6   9.227   7.306   4.344
   46    HB2  PHE   6          2HB       PHE   6   8.877   5.026   3.182
   47    HB3  PHE   6          3HB       PHE   6   7.333   5.688   2.656
   48    HD1  PHE   6           HD1      PHE   6   7.211   7.325   0.934
   49    HD2  PHE   6           HD2      PHE   6  10.985   6.031   2.415
   50    HE1  PHE   6           HE1      PHE   6   8.328   8.422  -0.964
   51    HE2  PHE   6           HE2      PHE   6  12.109   7.126   0.520
   52    HZ   PHE   6           HZ       PHE   6  10.780   8.325  -1.172
   53    H    SER   7           H        SER   7   8.542   9.275   3.744
   54    HA   SER   7           HA       SER   7   5.739   9.929   4.224
   55    HB2  SER   7          2HB       SER   7   8.291  11.455   4.164
   56    HB3  SER   7          3HB       SER   7   6.829  12.323   3.695
   57    HG   SER   7           HG       SER   7   7.432  11.074   6.153
   58    HA   PRO   8           HA       PRO   8   4.572  10.436   0.027
   59    HB2  PRO   8          2HB       PRO   8   3.036  12.673   0.110
   60    HB3  PRO   8          3HB       PRO   8   2.513  11.123   0.780
   61    HG2  PRO   8          2HG       PRO   8   3.674  13.499   2.184
   62    HG3  PRO   8          3HG       PRO   8   2.314  12.469   2.667
   63    HD2  PRO   8          2HD       PRO   8   4.793  12.197   3.721
   64    HD3  PRO   8          3HD       PRO   8   3.694  10.821   3.499
   65    H    PHE   9           H        PHE   9   5.334  11.320  -1.823
   66    HA   PHE   9           HA       PHE   9   6.553  12.621  -3.234
   67    HB2  PHE   9          2HB       PHE   9   4.938  14.369  -1.882
   68    HB3  PHE   9          3HB       PHE   9   6.534  15.041  -1.564
   69    HD1  PHE   9           HD1      PHE   9   3.827  15.096  -3.747
   70    HD2  PHE   9           HD2      PHE   9   8.083  15.165  -3.725
   71    HE1  PHE   9           HE1      PHE   9   3.818  16.152  -5.969
   72    HE2  PHE   9           HE2      PHE   9   8.080  16.222  -5.947
   73    HZ   PHE   9           HZ       PHE   9   5.946  16.718  -7.072
  Start of MODEL    7
    1    H1   LYS   1           H        LYS   1   1.949   3.133  -4.111
    2    HA   LYS   1           HA       LYS   1   1.150   1.916  -1.807
    3    HB2  LYS   1          2HB       LYS   1   1.546  -0.029  -3.945
    4    HB3  LYS   1          3HB       LYS   1   2.536  -0.370  -2.533
    5    HG2  LYS   1          2HG       LYS   1  -0.411   0.157  -2.327
    6    HG3  LYS   1          3HG       LYS   1   0.246  -1.453  -2.630
    7    HD2  LYS   1          2HD       LYS   1   1.745  -0.836  -0.536
    8    HD3  LYS   1          3HD       LYS   1   0.385   0.234  -0.183
    9    HE2  LYS   1          2HE       LYS   1  -1.140  -1.595  -0.137
   10    HE3  LYS   1          3HE       LYS   1   0.072  -2.701  -0.783
   11    HZ1  LYS   1          1HZ       LYS   1   1.333  -2.486   1.245
   12    HZ2  LYS   1          2HZ       LYS   1  -0.247  -2.966   1.612
   13    HZ3  LYS   1          3HZ       LYS   1   0.229  -1.363   1.864
   14    H    ARG   2           H        ARG   2   2.628   2.877  -0.579
   15    HA   ARG   2           HA       ARG   2   5.463   2.588  -1.328
   16    HB2  ARG   2          2HB       ARG   2   3.909   4.954  -0.462
   17    HB3  ARG   2          3HB       ARG   2   5.507   4.778   0.252
   18    HG2  ARG   2          2HG       ARG   2   6.159   5.918  -1.566
   19    HG3  ARG   2          3HG       ARG   2   6.089   4.335  -2.342
   20    HD2  ARG   2          2HD       ARG   2   3.769   4.815  -3.036
   21    HD3  ARG   2          3HD       ARG   2   3.912   6.422  -2.324
   22    HE   ARG   2           HE       ARG   2   5.072   7.088  -4.174
   23   HH11  ARG   2          1HH1      ARG   2   5.086   3.610  -4.032
   24   HH12  ARG   2          2HH1      ARG   2   5.833   3.419  -5.583
   25   HH21  ARG   2          1HH2      ARG   2   6.057   6.850  -6.218
   26   HH22  ARG   2          2HH2      ARG   2   6.386   5.263  -6.826
   27    HA   PRO   3           HA       PRO   3   6.290   0.796   2.590
   28    HB2  PRO   3          2HB       PRO   3   8.688   1.889   3.243
   29    HB3  PRO   3          3HB       PRO   3   8.499   0.681   1.967
   30    HG2  PRO   3          2HG       PRO   3   8.726   3.657   1.738
   31    HG3  PRO   3          3HG       PRO   3   9.495   2.398   0.755
   32    HD2  PRO   3          2HD       PRO   3   7.297   3.749  -0.067
   33    HD3  PRO   3          3HD       PRO   3   7.602   2.059  -0.517
   34    HA   PRO   4           HA       PRO   4   5.122   3.354   5.970
   35    HB2  PRO   4          2HB       PRO   4   6.548   2.314   8.032
   36    HB3  PRO   4          3HB       PRO   4   5.175   1.479   7.296
   37    HG2  PRO   4          2HG       PRO   4   8.105   1.076   6.834
   38    HG3  PRO   4          3HG       PRO   4   6.825  -0.137   7.023
   39    HD2  PRO   4          2HD       PRO   4   7.810   0.578   4.604
   40    HD3  PRO   4          3HD       PRO   4   6.121   0.084   4.839
   41    H    GLY   5           H        GLY   5   5.649   5.371   6.534
   42    HA2  GLY   5          2HA       GLY   5   7.073   6.947   7.629
   43    HA3  GLY   5          3HA       GLY   5   8.461   5.996   7.120
   44    H    PHE   6           H        PHE   6   7.088   5.812   4.384
   45    HA   PHE   6           HA       PHE   6   8.365   8.180   3.315
   46    HB2  PHE   6          2HB       PHE   6   7.637   5.553   2.330
   47    HB3  PHE   6          3HB       PHE   6   7.128   6.813   1.212
   48    HD1  PHE   6           HD1      PHE   6  10.115   6.577   3.421
   49    HD2  PHE   6           HD2      PHE   6   8.609   6.783  -0.555
   50    HE1  PHE   6           HE1      PHE   6  12.415   6.735   2.561
   51    HE2  PHE   6           HE2      PHE   6  10.906   6.941  -1.421
   52    HZ   PHE   6           HZ       PHE   6  12.813   6.916   0.137
   53    H    SER   7           H        SER   7   7.382   9.927   2.462
   54    HA   SER   7           HA       SER   7   4.441   9.899   2.293
   55    HB2  SER   7          2HB       SER   7   5.164  12.542   2.833
   56    HB3  SER   7          3HB       SER   7   4.408  11.410   3.953
   57    HG   SER   7           HG       SER   7   6.263  11.132   4.946
   58    HA   PRO   8           HA       PRO   8   4.758  11.585  -1.743
   59    HB2  PRO   8          2HB       PRO   8   2.694  13.347  -1.807
   60    HB3  PRO   8          3HB       PRO   8   2.462  11.595  -1.817
   61    HG2  PRO   8          2HG       PRO   8   2.265  13.519   0.468
   62    HG3  PRO   8          3HG       PRO   8   1.203  12.160   0.055
   63    HD2  PRO   8          2HD       PRO   8   3.098  11.994   1.982
   64    HD3  PRO   8          3HD       PRO   8   2.624  10.603   0.987
   65    H    PHE   9           H        PHE   9   5.450  13.368  -2.960
   66    HA   PHE   9           HA       PHE   9   6.240  15.735  -1.392
   67    HB2  PHE   9          2HB       PHE   9   7.797  14.178  -3.445
   68    HB3  PHE   9          3HB       PHE   9   8.187  15.854  -3.077
   69    HD1  PHE   9           HD1      PHE   9   9.409  12.817  -2.545
   70    HD2  PHE   9           HD2      PHE   9   7.929  16.074  -0.238
   71    HE1  PHE   9           HE1      PHE   9  10.766  12.074  -0.632
   72    HE2  PHE   9           HE2      PHE   9   9.284  15.337   1.679
   73    HZ   PHE   9           HZ       PHE   9  10.706  13.335   1.483
  Start of MODEL    8
    1    H1   LYS   1           H        LYS   1   1.173   3.225  -1.012
    2    HA   LYS   1           HA       LYS   1   0.528   0.562  -0.087
    3    HB2  LYS   1          2HB       LYS   1   1.152  -0.461  -2.308
    4    HB3  LYS   1          3HB       LYS   1  -0.409   0.347  -2.263
    5    HG2  LYS   1          2HG       LYS   1   0.180   1.654  -3.946
    6    HG3  LYS   1          3HG       LYS   1   1.590   2.225  -3.052
    7    HD2  LYS   1          2HD       LYS   1   2.783   0.146  -3.795
    8    HD3  LYS   1          3HD       LYS   1   1.404  -0.193  -4.844
    9    HE2  LYS   1          2HE       LYS   1   2.221   2.508  -5.245
   10    HE3  LYS   1          3HE       LYS   1   3.641   1.469  -5.353
   11    HZ1  LYS   1          1HZ       LYS   1   1.988   1.928  -7.387
   12    HZ2  LYS   1          2HZ       LYS   1   1.283   0.526  -6.756
   13    HZ3  LYS   1          3HZ       LYS   1   2.906   0.515  -7.235
   14    H    ARG   2           H        ARG   2   2.417   2.436   0.782
   15    HA   ARG   2           HA       ARG   2   4.942   1.172  -0.062
   16    HB2  ARG   2          2HB       ARG   2   4.223   3.997   0.427
   17    HB3  ARG   2          3HB       ARG   2   5.771   3.483   1.084
   18    HG2  ARG   2          2HG       ARG   2   6.678   3.091  -0.989
   19    HG3  ARG   2          3HG       ARG   2   5.105   2.833  -1.746
   20    HD2  ARG   2          2HD       ARG   2   5.386   5.508  -0.649
   21    HD3  ARG   2          3HD       ARG   2   6.623   5.143  -1.850
   22    HE   ARG   2           HE       ARG   2   4.229   4.325  -2.948
   23   HH11  ARG   2          1HH1      ARG   2   5.607   7.303  -1.783
   24   HH12  ARG   2          2HH1      ARG   2   4.697   8.300  -2.868
   25   HH21  ARG   2          1HH2      ARG   2   3.025   5.628  -4.381
   26   HH22  ARG   2          2HH2      ARG   2   3.228   7.347  -4.345
   27    HA   PRO   3           HA       PRO   3   5.698  -0.133   4.058
   28    HB2  PRO   3          2HB       PRO   3   8.366   0.291   4.329
   29    HB3  PRO   3          3HB       PRO   3   7.695  -0.996   3.319
   30    HG2  PRO   3          2HG       PRO   3   8.716   1.703   2.520
   31    HG3  PRO   3          3HG       PRO   3   8.978   0.131   1.741
   32    HD2  PRO   3          2HD       PRO   3   7.165   1.924   0.830
   33    HD3  PRO   3          3HD       PRO   3   6.929   0.170   0.687
   34    HA   PRO   4           HA       PRO   4   5.704   3.164   6.968
   35    HB2  PRO   4          2HB       PRO   4   7.019   2.091   9.087
   36    HB3  PRO   4          3HB       PRO   4   5.389   1.595   8.616
   37    HG2  PRO   4          2HG       PRO   4   8.013   0.273   8.041
   38    HG3  PRO   4          3HG       PRO   4   6.477  -0.459   8.540
   39    HD2  PRO   4          2HD       PRO   4   7.325  -0.466   5.969
   40    HD3  PRO   4          3HD       PRO   4   5.606  -0.392   6.407
   41    H    GLY   5           H        GLY   5   6.872   4.942   7.534
   42    HA2  GLY   5          2HA       GLY   5   8.901   6.019   8.236
   43    HA3  GLY   5          3HA       GLY   5   9.808   4.771   7.394
   44    H    PHE   6           H        PHE   6   7.843   5.070   5.091
   45    HA   PHE   6           HA       PHE   6   9.406   6.926   3.601
   46    HB2  PHE   6          2HB       PHE   6   8.057   4.801   2.828
   47    HB3  PHE   6          3HB       PHE   6   6.746   5.959   2.631
   48    HD1  PHE   6           HD1      PHE   6  10.143   5.063   1.521
   49    HD2  PHE   6           HD2      PHE   6   6.713   7.485   0.822
   50    HE1  PHE   6           HE1      PHE   6  11.045   5.700  -0.678
   51    HE2  PHE   6           HE2      PHE   6   7.609   8.125  -1.378
   52    HZ   PHE   6           HZ       PHE   6   9.777   7.232  -2.131
   53    H    SER   7           H        SER   7   8.892   8.948   2.831
   54    HA   SER   7           HA       SER   7   6.637  10.266   4.183
   55    HB2  SER   7          2HB       SER   7   8.622  12.005   2.901
   56    HB3  SER   7          3HB       SER   7   7.960  12.063   4.534
   57    HG   SER   7           HG       SER   7  10.312  11.494   4.165
   58    HA   PRO   8           HA       PRO   8   4.578  11.179   0.419
   59    HB2  PRO   8          2HB       PRO   8   3.692  13.712   0.834
   60    HB3  PRO   8          3HB       PRO   8   3.008  12.307   1.661
   61    HG2  PRO   8          2HG       PRO   8   5.021  14.291   2.647
   62    HG3  PRO   8          3HG       PRO   8   3.628  13.595   3.495
   63    HD2  PRO   8          2HD       PRO   8   6.158  12.710   3.878
   64    HD3  PRO   8          3HD       PRO   8   4.745  11.640   3.987
   65    H    PHE   9           H        PHE   9   5.028  11.916  -1.590
   66    HA   PHE   9           HA       PHE   9   6.196  12.859  -3.299
   67    HB2  PHE   9          2HB       PHE   9   5.211  14.921  -1.770
   68    HB3  PHE   9          3HB       PHE   9   6.923  15.319  -1.880
   69    HD1  PHE   9           HD1      PHE   9   7.681  16.504  -3.701
   70    HD2  PHE   9           HD2      PHE   9   4.058  14.294  -4.029
   71    HE1  PHE   9           HE1      PHE   9   7.321  17.434  -5.951
   72    HE2  PHE   9           HE2      PHE   9   3.693  15.220  -6.279
   73    HZ   PHE   9           HZ       PHE   9   5.325  16.791  -7.243
  Start of MODEL    9
    1    H1   LYS   1           H        LYS   1   2.489   2.162  -4.725
    2    HA   LYS   1           HA       LYS   1   1.426   2.163  -1.976
    3    HB2  LYS   1          2HB       LYS   1   2.150  -0.179  -3.735
    4    HB3  LYS   1          3HB       LYS   1   1.956  -0.321  -1.992
    5    HG2  LYS   1          2HG       LYS   1  -0.190   0.707  -3.832
    6    HG3  LYS   1          3HG       LYS   1  -0.041  -0.980  -3.334
    7    HD2  LYS   1          2HD       LYS   1  -0.004   0.064  -0.925
    8    HD3  LYS   1          3HD       LYS   1  -0.800   1.419  -1.729
    9    HE2  LYS   1          2HE       LYS   1  -2.552   0.065  -0.959
   10    HE3  LYS   1          3HE       LYS   1  -2.415  -0.310  -2.676
   11    HZ1  LYS   1          1HZ       LYS   1  -2.609  -2.362  -1.597
   12    HZ2  LYS   1          2HZ       LYS   1  -1.520  -1.939  -0.375
   13    HZ3  LYS   1          3HZ       LYS   1  -0.959  -2.225  -1.945
   14    H    ARG   2           H        ARG   2   2.929   2.777  -0.580
   15    HA   ARG   2           HA       ARG   2   5.719   1.969  -1.073
   16    HB2  ARG   2          2HB       ARG   2   4.572   4.623  -0.481
   17    HB3  ARG   2          3HB       ARG   2   6.002   4.201   0.452
   18    HG2  ARG   2          2HG       ARG   2   7.090   5.081  -1.299
   19    HG3  ARG   2          3HG       ARG   2   6.811   3.496  -2.023
   20    HD2  ARG   2          2HD       ARG   2   6.036   4.876  -3.686
   21    HD3  ARG   2          3HD       ARG   2   4.552   4.576  -2.782
   22    HE   ARG   2           HE       ARG   2   4.513   6.785  -2.168
   23   HH11  ARG   2          1HH1      ARG   2   7.642   6.005  -3.480
   24   HH12  ARG   2          2HH1      ARG   2   8.180   7.651  -3.522
   25   HH21  ARG   2          1HH2      ARG   2   5.209   8.956  -2.219
   26   HH22  ARG   2          2HH2      ARG   2   6.795   9.329  -2.803
   27    HA   PRO   3           HA       PRO   3   5.851   0.255   2.963
   28    HB2  PRO   3          2HB       PRO   3   8.347   0.916   3.802
   29    HB3  PRO   3          3HB       PRO   3   8.044  -0.299   2.555
   30    HG2  PRO   3          2HG       PRO   3   8.848   2.568   2.250
   31    HG3  PRO   3          3HG       PRO   3   9.447   1.140   1.386
   32    HD2  PRO   3          2HD       PRO   3   7.624   2.833   0.316
   33    HD3  PRO   3          3HD       PRO   3   7.642   1.095  -0.047
   34    HA   PRO   4           HA       PRO   4   4.900   3.152   6.131
   35    HB2  PRO   4          2HB       PRO   4   5.921   1.970   8.351
   36    HB3  PRO   4          3HB       PRO   4   4.484   1.368   7.518
   37    HG2  PRO   4          2HG       PRO   4   7.313   0.406   7.348
   38    HG3  PRO   4          3HG       PRO   4   5.816  -0.537   7.455
   39    HD2  PRO   4          2HD       PRO   4   7.122  -0.140   5.117
   40    HD3  PRO   4          3HD       PRO   4   5.357  -0.300   5.209
   41    H    GLY   5           H        GLY   5   5.736   5.046   6.763
   42    HA2  GLY   5          2HA       GLY   5   7.369   6.329   7.970
   43    HA3  GLY   5          3HA       GLY   5   8.590   5.167   7.472
   44    H    PHE   6           H        PHE   6   7.373   5.227   4.694
   45    HA   PHE   6           HA       PHE   6   9.047   7.353   3.706
   46    HB2  PHE   6          2HB       PHE   6   7.823   4.948   2.642
   47    HB3  PHE   6          3HB       PHE   6   7.604   6.312   1.551
   48    HD1  PHE   6           HD1      PHE   6   9.182   6.506  -0.089
   49    HD2  PHE   6           HD2      PHE   6  10.337   4.935   3.695
   50    HE1  PHE   6           HE1      PHE   6  11.481   6.213  -0.916
   51    HE2  PHE   6           HE2      PHE   6  12.637   4.641   2.874
   52    HZ   PHE   6           HZ       PHE   6  13.212   5.281   0.567
   53    H    SER   7           H        SER   7   8.441   9.275   2.872
   54    HA   SER   7           HA       SER   7   5.553   9.852   2.759
   55    HB2  SER   7          2HB       SER   7   6.885  12.289   3.168
   56    HB3  SER   7          3HB       SER   7   5.899  11.408   4.335
   57    HG   SER   7           HG       SER   7   7.701  10.491   5.179
   58    HA   PRO   8           HA       PRO   8   6.035  11.317  -1.347
   59    HB2  PRO   8          2HB       PRO   8   4.390  13.477  -1.397
   60    HB3  PRO   8          3HB       PRO   8   3.792  11.815  -1.333
   61    HG2  PRO   8          2HG       PRO   8   4.113  13.800   0.885
   62    HG3  PRO   8          3HG       PRO   8   2.769  12.688   0.565
   63    HD2  PRO   8          2HD       PRO   8   4.672  12.176   2.422
   64    HD3  PRO   8          3HD       PRO   8   3.869  10.890   1.498
   65    H    PHE   9           H        PHE   9   7.303  12.652  -2.549
   66    HA   PHE   9           HA       PHE   9   8.841  14.247  -3.059
   67    HB2  PHE   9          2HB       PHE   9   7.506  15.914  -0.920
   68    HB3  PHE   9          3HB       PHE   9   8.482  16.497  -2.265
   69    HD1  PHE   9           HD1      PHE   9   5.263  16.279  -1.126
   70    HD2  PHE   9           HD2      PHE   9   7.547  15.500  -4.633
   71    HE1  PHE   9           HE1      PHE   9   3.231  16.502  -2.495
   72    HE2  PHE   9           HE2      PHE   9   5.519  15.723  -6.007
   73    HZ   PHE   9           HZ       PHE   9   3.357  16.226  -4.939
  Start of MODEL   10
    1    H1   LYS   1           H        LYS   1   2.195   3.948  -3.620
    2    HA   LYS   1           HA       LYS   1   1.285   2.327  -1.467
    3    HB2  LYS   1          2HB       LYS   1   2.137   0.929  -4.008
    4    HB3  LYS   1          3HB       LYS   1   1.992   0.139  -2.443
    5    HG2  LYS   1          2HG       LYS   1  -0.422   0.890  -2.434
    6    HG3  LYS   1          3HG       LYS   1  -0.191   1.329  -4.128
    7    HD2  LYS   1          2HD       LYS   1   0.020  -0.856  -4.805
    8    HD3  LYS   1          3HD       LYS   1   0.611  -1.399  -3.233
    9    HE2  LYS   1          2HE       LYS   1  -1.440  -2.056  -2.695
   10    HE3  LYS   1          3HE       LYS   1  -2.017  -0.400  -2.873
   11    HZ1  LYS   1          1HZ       LYS   1  -1.904  -2.492  -4.973
   12    HZ2  LYS   1          2HZ       LYS   1  -2.261  -0.869  -5.286
   13    HZ3  LYS   1          3HZ       LYS   1  -3.289  -1.786  -4.304
   14    H    ARG   2           H        ARG   2   2.877   3.210  -0.230
   15    HA   ARG   2           HA       ARG   2   5.645   2.590  -1.026
   16    HB2  ARG   2          2HB       ARG   2   4.438   5.117  -0.171
   17    HB3  ARG   2          3HB       ARG   2   5.879   4.689   0.741
   18    HG2  ARG   2          2HG       ARG   2   7.252   5.023  -1.010
   19    HG3  ARG   2          3HG       ARG   2   6.086   4.404  -2.181
   20    HD2  ARG   2          2HD       ARG   2   4.869   6.468  -2.152
   21    HD3  ARG   2          3HD       ARG   2   5.846   7.080  -0.817
   22    HE   ARG   2           HE       ARG   2   7.379   6.418  -3.154
   23   HH11  ARG   2          1HH1      ARG   2   5.480   8.877  -1.582
   24   HH12  ARG   2          2HH1      ARG   2   6.238  10.186  -2.426
   25   HH21  ARG   2          1HH2      ARG   2   8.384   8.134  -4.273
   26   HH22  ARG   2          2HH2      ARG   2   7.888   9.762  -3.957
   27    HA   PRO   3           HA       PRO   3   6.204   0.496   2.788
   28    HB2  PRO   3          2HB       PRO   3   8.732   1.201   3.482
   29    HB3  PRO   3          3HB       PRO   3   8.374   0.100   2.146
   30    HG2  PRO   3          2HG       PRO   3   9.023   3.022   2.071
   31    HG3  PRO   3          3HG       PRO   3   9.606   1.719   1.018
   32    HD2  PRO   3          2HD       PRO   3   7.624   3.411   0.282
   33    HD3  PRO   3          3HD       PRO   3   7.686   1.721  -0.258
   34    HA   PRO   4           HA       PRO   4   5.408   3.013   6.304
   35    HB2  PRO   4          2HB       PRO   4   6.670   1.673   8.299
   36    HB3  PRO   4          3HB       PRO   4   5.192   1.082   7.530
   37    HG2  PRO   4          2HG       PRO   4   8.036   0.291   7.029
   38    HG3  PRO   4          3HG       PRO   4   6.596  -0.735   7.162
   39    HD2  PRO   4          2HD       PRO   4   7.674  -0.042   4.778
   40    HD3  PRO   4          3HD       PRO   4   5.932  -0.302   4.998
   41    H    GLY   5           H        GLY   5   6.221   4.741   7.411
   42    HA2  GLY   5          2HA       GLY   5   7.897   6.005   8.495
   43    HA3  GLY   5          3HA       GLY   5   9.117   4.983   7.750
   44    H    PHE   6           H        PHE   6   7.589   5.344   5.129
   45    HA   PHE   6           HA       PHE   6   9.088   7.659   4.277
   46    HB2  PHE   6          2HB       PHE   6   7.639   5.436   2.958
   47    HB3  PHE   6          3HB       PHE   6   7.721   6.950   2.064
   48    HD1  PHE   6           HD1      PHE   6   9.293   6.762   0.403
   49    HD2  PHE   6           HD2      PHE   6  10.165   5.185   4.259
   50    HE1  PHE   6           HE1      PHE   6  11.567   6.196  -0.347
   51    HE2  PHE   6           HE2      PHE   6  12.441   4.617   3.515
   52    HZ   PHE   6           HZ       PHE   6  13.145   5.124   1.210
   53    H    SER   7           H        SER   7   8.311   9.622   3.693
   54    HA   SER   7           HA       SER   7   5.550  10.202   4.431
   55    HB2  SER   7          2HB       SER   7   6.714  12.599   3.669
   56    HB3  SER   7          3HB       SER   7   6.598  11.986   5.319
   57    HG   SER   7           HG       SER   7   8.682  11.829   5.305
   58    HA   PRO   8           HA       PRO   8   3.980  10.702   0.367
   59    HB2  PRO   8          2HB       PRO   8   2.405  12.900   0.611
   60    HB3  PRO   8          3HB       PRO   8   1.985  11.335   1.316
   61    HG2  PRO   8          2HG       PRO   8   3.216  13.731   2.622
   62    HG3  PRO   8          3HG       PRO   8   1.933  12.665   3.223
   63    HD2  PRO   8          2HD       PRO   8   4.506  12.449   4.037
   64    HD3  PRO   8          3HD       PRO   8   3.425  11.047   3.909
   65    H    PHE   9           H        PHE   9   4.283  11.786  -1.568
   66    HA   PHE   9           HA       PHE   9   6.509  13.563  -1.689
   67    HB2  PHE   9          2HB       PHE   9   5.883  11.852  -3.442
   68    HB3  PHE   9          3HB       PHE   9   4.574  12.928  -3.920
   69    HD1  PHE   9           HD1      PHE   9   8.205  12.454  -3.847
   70    HD2  PHE   9           HD2      PHE   9   5.010  14.961  -5.122
   71    HE1  PHE   9           HE1      PHE   9   9.753  13.670  -5.323
   72    HE2  PHE   9           HE2      PHE   9   6.553  16.180  -6.600
   73    HZ   PHE   9           HZ       PHE   9   8.928  15.535  -6.703