*HEADER    MEMBRANE PROTEIN                        29-NOV-17   6F3V              
*TITLE     BACKBONE STRUCTURE OF BRADYKININ (BK) PEPTIDE BOUND TO HUMAN          
*TITLE    2 BRADYKININ 2 RECEPTOR (B2R) DETERMINED BY MAS SSNMR                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BRADYKININ (BK);                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: BRADYKININ REPTILE BOUND TO HUMAN B2R                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    GPCR, MEMBRANE PROTEIN                                                
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    10                                                                    
*AUTHOR    J.MAO,J.J.LOPEZ,A.K.SHUKLA,G.KUENZE,J.MEILER,H.SCHWALBE,H.MICHEL,     
*AUTHOR   2 C.GLAUBITZ                                                           
*REVDAT   1   10-JAN-18 6F3V    0                                                
# Restraints file 1: BK_bound_talosp_Angew.aco
#Talos contraints =10 only
3	PRO	PSI	-38.156		-10.728
4	GLY	PHI	-75.485		-57.815
4	GLY	PSI	-33.801		-10.471
5	PHE	PHI	-112.535		-90.559
5	PHE	PSI	-37.808		-3.672
6	SER	PHI	-124.83		-49.532
6	SER	PSI	106.217		136.805
7	PRO	PSI	-27.939		-18.643
8	PHE	PHI	-102.824		-75.888
8	PHE	PSI	-20.379		5.967
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H        ARG   1   1.807   0.001   0.855
    2    HA   ARG   1           HA       ARG   1   2.301   1.026  -1.503
    3    HB2  ARG   1          2HB       ARG   1   3.211  -1.724  -0.649
    4    HB3  ARG   1          3HB       ARG   1   3.897  -0.851  -2.012
    5    HG2  ARG   1          2HG       ARG   1   4.256   1.030  -0.218
    6    HG3  ARG   1          3HG       ARG   1   4.159  -0.329   0.903
    7    HD2  ARG   1          2HD       ARG   1   5.849  -0.976  -1.336
    8    HD3  ARG   1          3HD       ARG   1   6.386   0.516  -0.567
    9    HE   ARG   1           HE       ARG   1   6.514  -2.140   0.523
   10   HH11  ARG   1          1HH1      ARG   1   6.409   1.259   1.267
   11   HH12  ARG   1          2HH1      ARG   1   7.171   1.078   2.812
   12   HH21  ARG   1          1HH2      ARG   1   7.518  -2.392   2.556
   13   HH22  ARG   1          2HH2      ARG   1   7.803  -0.999   3.544
   14    HA   PRO   2           HA       PRO   2  -1.001  -1.394  -3.712
   15    HB2  PRO   2          2HB       PRO   2  -2.067   0.758  -4.977
   16    HB3  PRO   2          3HB       PRO   2  -2.564   0.252  -3.358
   17    HG2  PRO   2          2HG       PRO   2  -0.660   2.416  -4.164
   18    HG3  PRO   2          3HG       PRO   2  -1.921   2.443  -2.917
   19    HD2  PRO   2          2HD       PRO   2   0.697   2.072  -2.334
   20    HD3  PRO   2          3HD       PRO   2  -0.607   1.328  -1.387
   21    HA   PRO   3           HA       PRO   3   1.068  -1.619  -7.585
   22    HB2  PRO   3          2HB       PRO   3  -0.974  -1.970  -9.339
   23    HB3  PRO   3          3HB       PRO   3  -0.453  -3.224  -8.208
   24    HG2  PRO   3          2HG       PRO   3  -2.750  -1.316  -7.994
   25    HG3  PRO   3          3HG       PRO   3  -2.694  -3.047  -7.613
   26    HD2  PRO   3          2HD       PRO   3  -2.541  -1.131  -5.706
   27    HD3  PRO   3          3HD       PRO   3  -1.710  -2.692  -5.559
   28    H    GLY   4           H        GLY   4  -1.594   0.683  -7.389
   29    HA2  GLY   4          2HA       GLY   4  -1.063   2.082  -9.783
   30    HA3  GLY   4          3HA       GLY   4  -1.942   2.715  -8.399
   31    H    PHE   5           H        PHE   5   0.538   2.091  -6.732
   32    HA   PHE   5           HA       PHE   5   1.849   4.642  -7.277
   33    HB2  PHE   5          2HB       PHE   5   1.391   2.979  -4.900
   34    HB3  PHE   5          3HB       PHE   5   3.004   3.680  -4.983
   35    HD1  PHE   5           HD1      PHE   5   3.367   5.962  -4.541
   36    HD2  PHE   5           HD2      PHE   5  -0.601   4.483  -4.975
   37    HE1  PHE   5           HE1      PHE   5   2.482   8.099  -3.703
   38    HE2  PHE   5           HE2      PHE   5  -1.492   6.619  -4.139
   39    HZ   PHE   5           HZ       PHE   5   0.050   8.431  -3.503
   40    H    SER   6           H        SER   6   2.470   1.214  -7.275
   41    HA   SER   6           HA       SER   6   5.248   1.171  -7.225
   42    HB2  SER   6          2HB       SER   6   3.114  -0.644  -8.043
   43    HB3  SER   6          3HB       SER   6   4.578  -0.848  -9.005
   44    HG   SER   6           HG       SER   6   4.123  -1.762  -6.590
   45    HA   PRO   7           HA       PRO   7   6.680   2.828 -11.025
   46    HB2  PRO   7          2HB       PRO   7   8.713   1.145 -11.664
   47    HB3  PRO   7          3HB       PRO   7   8.810   2.309 -10.337
   48    HG2  PRO   7          2HG       PRO   7   8.207  -0.622 -10.246
   49    HG3  PRO   7          3HG       PRO   7   9.251   0.339  -9.183
   50    HD2  PRO   7          2HD       PRO   7   6.738  -0.390  -8.487
   51    HD3  PRO   7          3HD       PRO   7   7.475   1.133  -7.948
   52    H    PHE   8           H        PHE   8   5.614  -0.471 -10.935
   53    HA   PHE   8           HA       PHE   8   5.754  -0.915 -13.765
   54    HB2  PHE   8          2HB       PHE   8   4.905  -2.425 -11.392
   55    HB3  PHE   8          3HB       PHE   8   3.958  -2.766 -12.836
   56    HD1  PHE   8           HD1      PHE   8   5.355  -3.231 -15.001
   57    HD2  PHE   8           HD2      PHE   8   6.855  -3.588 -11.034
   58    HE1  PHE   8           HE1      PHE   8   7.128  -4.733 -15.810
   59    HE2  PHE   8           HE2      PHE   8   8.632  -5.089 -11.837
   60    HZ   PHE   8           HZ       PHE   8   8.770  -5.663 -14.228
   61    H    ARG   9           H        ARG   9   3.497   0.521 -11.591
   62    HA   ARG   9           HA       ARG   9   1.735   1.134 -13.830
   63    HB2  ARG   9          2HB       ARG   9   1.071  -0.730 -11.696
   64    HB3  ARG   9          3HB       ARG   9  -0.068   0.607 -11.781
   65    HG2  ARG   9          2HG       ARG   9  -1.091  -0.735 -13.267
   66    HG3  ARG   9          3HG       ARG   9   0.078  -0.027 -14.384
   67    HD2  ARG   9          2HD       ARG   9   1.544  -2.054 -13.399
   68    HD3  ARG   9          3HD       ARG   9  -0.069  -2.751 -13.255
   69    HE   ARG   9           HE       ARG   9   0.113  -1.701 -15.808
   70   HH11  ARG   9          1HH1      ARG   9   1.714  -4.146 -13.917
   71   HH12  ARG   9          2HH1      ARG   9   2.108  -5.132 -15.287
   72   HH21  ARG   9          1HH2      ARG   9   0.626  -2.990 -17.619
   73   HH22  ARG   9          2HH2      ARG   9   1.490  -4.473 -17.392
  Start of MODEL    2
    1    H1   ARG   1           H        ARG   1   0.970  -0.901   0.812
    2    HA   ARG   1           HA       ARG   1   1.831   0.319  -1.413
    3    HB2  ARG   1          2HB       ARG   1   2.611  -2.393  -0.358
    4    HB3  ARG   1          3HB       ARG   1   3.450  -1.641  -1.708
    5    HG2  ARG   1          2HG       ARG   1   3.128  -0.262   0.937
    6    HG3  ARG   1          3HG       ARG   1   4.469  -1.357   0.597
    7    HD2  ARG   1          2HD       ARG   1   5.165   0.027  -1.267
    8    HD3  ARG   1          3HD       ARG   1   3.776   1.086  -1.029
    9    HE   ARG   1           HE       ARG   1   5.077   1.148   1.362
   10   HH11  ARG   1          1HH1      ARG   1   5.998   1.758  -1.940
   11   HH12  ARG   1          2HH1      ARG   1   7.206   2.929  -1.523
   12   HH21  ARG   1          1HH2      ARG   1   6.664   2.687   1.923
   13   HH22  ARG   1          2HH2      ARG   1   7.584   3.456   0.674
   14    HA   PRO   2           HA       PRO   2  -1.064  -2.130  -4.125
   15    HB2  PRO   2          2HB       PRO   2  -2.035   0.025  -5.460
   16    HB3  PRO   2          3HB       PRO   2  -2.731  -0.560  -3.943
   17    HG2  PRO   2          2HG       PRO   2  -0.828   1.704  -4.405
   18    HG3  PRO   2          3HG       PRO   2  -2.250   1.636  -3.348
   19    HD2  PRO   2          2HD       PRO   2   0.275   1.345  -2.414
   20    HD3  PRO   2          3HD       PRO   2  -1.115   0.517  -1.684
   21    HA   PRO   3           HA       PRO   3   1.532  -2.133  -7.674
   22    HB2  PRO   3          2HB       PRO   3  -0.229  -2.496  -9.708
   23    HB3  PRO   3          3HB       PRO   3   0.182  -3.771  -8.555
   24    HG2  PRO   3          2HG       PRO   3  -2.202  -1.961  -8.606
   25    HG3  PRO   3          3HG       PRO   3  -2.125  -3.702  -8.276
   26    HD2  PRO   3          2HD       PRO   3  -2.322  -1.852  -6.308
   27    HD3  PRO   3          3HD       PRO   3  -1.452  -3.385  -6.094
   28    H    GLY   4           H        GLY   4  -1.262   0.025  -7.847
   29    HA2  GLY   4          2HA       GLY   4  -0.437   1.540 -10.073
   30    HA3  GLY   4          3HA       GLY   4  -1.547   2.082  -8.823
   31    H    PHE   5           H        PHE   5   0.717   1.485  -6.837
   32    HA   PHE   5           HA       PHE   5   1.950   4.123  -7.091
   33    HB2  PHE   5          2HB       PHE   5   0.956   2.622  -4.910
   34    HB3  PHE   5          3HB       PHE   5   2.697   2.751  -4.679
   35    HD1  PHE   5           HD1      PHE   5   3.586   5.247  -5.291
   36    HD2  PHE   5           HD2      PHE   5  -0.297   4.226  -3.876
   37    HE1  PHE   5           HE1      PHE   5   3.302   7.534  -4.429
   38    HE2  PHE   5           HE2      PHE   5  -0.587   6.511  -3.012
   39    HZ   PHE   5           HZ       PHE   5   1.214   8.169  -3.289
   40    H    SER   6           H        SER   6   2.718   0.745  -7.216
   41    HA   SER   6           HA       SER   6   5.473   0.835  -6.724
   42    HB2  SER   6          2HB       SER   6   5.411  -1.370  -7.221
   43    HB3  SER   6          3HB       SER   6   3.666  -1.142  -7.326
   44    HG   SER   6           HG       SER   6   3.958  -1.836  -9.293
   45    HA   PRO   7           HA       PRO   7   7.314   2.659 -10.262
   46    HB2  PRO   7          2HB       PRO   7   9.502   1.100 -10.649
   47    HB3  PRO   7          3HB       PRO   7   9.356   2.233  -9.300
   48    HG2  PRO   7          2HG       PRO   7   8.907  -0.726  -9.346
   49    HG3  PRO   7          3HG       PRO   7   9.743   0.259  -8.132
   50    HD2  PRO   7          2HD       PRO   7   7.202  -0.615  -7.799
   51    HD3  PRO   7          3HD       PRO   7   7.775   0.930  -7.137
   52    H    PHE   8           H        PHE   8   6.415  -0.686 -10.379
   53    HA   PHE   8           HA       PHE   8   6.945  -1.021 -13.187
   54    HB2  PHE   8          2HB       PHE   8   6.250  -2.708 -10.984
   55    HB3  PHE   8          3HB       PHE   8   5.089  -2.970 -12.280
   56    HD1  PHE   8           HD1      PHE   8   6.260  -3.119 -14.695
   57    HD2  PHE   8           HD2      PHE   8   8.101  -4.049 -10.972
   58    HE1  PHE   8           HE1      PHE   8   7.884  -4.554 -15.860
   59    HE2  PHE   8           HE2      PHE   8   9.728  -5.485 -12.131
   60    HZ   PHE   8           HZ       PHE   8   9.621  -5.738 -14.578
   61    H    ARG   9           H        ARG   9   4.344   0.144 -11.247
   62    HA   ARG   9           HA       ARG   9   2.860   0.902 -13.593
   63    HB2  ARG   9          2HB       ARG   9   2.237  -1.567 -12.526
   64    HB3  ARG   9          3HB       ARG   9   1.060  -0.503 -11.768
   65    HG2  ARG   9          2HG       ARG   9   1.069   0.240 -14.450
   66    HG3  ARG   9          3HG       ARG   9   1.152  -1.523 -14.458
   67    HD2  ARG   9          2HD       ARG   9  -0.791  -1.607 -12.960
   68    HD3  ARG   9          3HD       ARG   9  -0.880   0.153 -12.989
   69    HE   ARG   9           HE       ARG   9  -1.018  -0.496 -15.603
   70   HH11  ARG   9          1HH1      ARG   9  -2.754  -1.591 -12.791
   71   HH12  ARG   9          2HH1      ARG   9  -4.213  -1.929 -13.662
   72   HH21  ARG   9          1HH2      ARG   9  -2.933  -0.938 -16.762
   73   HH22  ARG   9          2HH2      ARG   9  -4.313  -1.559 -15.921
  Start of MODEL    3
    1    H1   ARG   1           H        ARG   1   1.122   0.131   0.976
    2    HA   ARG   1           HA       ARG   1   1.804   1.358  -1.529
    3    HB2  ARG   1          2HB       ARG   1   3.045  -0.832   0.124
    4    HB3  ARG   1          3HB       ARG   1   3.670  -0.400  -1.462
    5    HG2  ARG   1          2HG       ARG   1   3.292   1.743   0.569
    6    HG3  ARG   1          3HG       ARG   1   4.671   0.651   0.713
    7    HD2  ARG   1          2HD       ARG   1   4.984   1.227  -1.829
    8    HD3  ARG   1          3HD       ARG   1   4.039   2.654  -1.405
    9    HE   ARG   1           HE       ARG   1   5.874   3.489  -0.336
   10   HH11  ARG   1          1HH1      ARG   1   6.283   0.056  -0.742
   11   HH12  ARG   1          2HH1      ARG   1   7.910   0.048  -0.148
   12   HH21  ARG   1          1HH2      ARG   1   8.016   3.492   0.448
   13   HH22  ARG   1          2HH2      ARG   1   8.895   2.003   0.530
   14    HA   PRO   2           HA       PRO   2  -0.861  -2.089  -3.192
   15    HB2  PRO   2          2HB       PRO   2  -2.235  -0.522  -4.932
   16    HB3  PRO   2          3HB       PRO   2  -2.732  -0.757  -3.252
   17    HG2  PRO   2          2HG       PRO   2  -1.230   1.522  -4.482
   18    HG3  PRO   2          3HG       PRO   2  -2.553   1.561  -3.301
   19    HD2  PRO   2          2HD       PRO   2   0.043   1.863  -2.593
   20    HD3  PRO   2          3HD       PRO   2  -1.153   1.093  -1.531
   21    HA   PRO   3           HA       PRO   3   1.466  -2.723  -6.869
   22    HB2  PRO   3          2HB       PRO   3  -0.350  -3.850  -8.543
   23    HB3  PRO   3          3HB       PRO   3   0.326  -4.698  -7.148
   24    HG2  PRO   3          2HG       PRO   3  -2.304  -3.294  -7.419
   25    HG3  PRO   3          3HG       PRO   3  -1.942  -4.854  -6.657
   26    HD2  PRO   3          2HD       PRO   3  -2.287  -2.580  -5.228
   27    HD3  PRO   3          3HD       PRO   3  -1.182  -3.872  -4.715
   28    H    GLY   4           H        GLY   4  -1.684  -1.174  -7.402
   29    HA2  GLY   4          2HA       GLY   4  -1.139  -0.172  -9.982
   30    HA3  GLY   4          3HA       GLY   4  -2.351   0.456  -8.874
   31    H    PHE   5           H        PHE   5  -0.056   0.847  -6.881
   32    HA   PHE   5           HA       PHE   5   0.619   3.523  -7.822
   33    HB2  PHE   5          2HB       PHE   5  -0.302   3.255  -5.550
   34    HB3  PHE   5          3HB       PHE   5   1.068   2.236  -5.120
   35    HD1  PHE   5           HD1      PHE   5   2.534   3.296  -3.723
   36    HD2  PHE   5           HD2      PHE   5   0.671   5.535  -6.827
   37    HE1  PHE   5           HE1      PHE   5   3.803   5.291  -3.041
   38    HE2  PHE   5           HE2      PHE   5   1.938   7.532  -6.151
   39    HZ   PHE   5           HZ       PHE   5   3.507   7.412  -4.256
   40    H    SER   6           H        SER   6   2.095   0.443  -7.188
   41    HA   SER   6           HA       SER   6   4.776   1.228  -6.950
   42    HB2  SER   6          2HB       SER   6   3.313  -1.244  -7.323
   43    HB3  SER   6          3HB       SER   6   4.795  -1.241  -8.278
   44    HG   SER   6           HG       SER   6   5.515  -1.902  -6.367
   45    HA   PRO   7           HA       PRO   7   6.086   2.385 -10.973
   46    HB2  PRO   7          2HB       PRO   7   8.554   1.266 -11.125
   47    HB3  PRO   7          3HB       PRO   7   8.194   2.661 -10.102
   48    HG2  PRO   7          2HG       PRO   7   8.407  -0.231  -9.356
   49    HG3  PRO   7          3HG       PRO   7   9.034   1.193  -8.505
   50    HD2  PRO   7          2HD       PRO   7   6.756  -0.065  -7.757
   51    HD3  PRO   7          3HD       PRO   7   6.990   1.683  -7.558
   52    H    PHE   8           H        PHE   8   6.062  -1.005 -10.160
   53    HA   PHE   8           HA       PHE   8   6.517  -1.923 -12.847
   54    HB2  PHE   8          2HB       PHE   8   7.185  -3.323 -10.971
   55    HB3  PHE   8          3HB       PHE   8   5.525  -3.375 -10.386
   56    HD1  PHE   8           HD1      PHE   8   7.804  -4.500 -13.045
   57    HD2  PHE   8           HD2      PHE   8   3.932  -4.869 -11.318
   58    HE1  PHE   8           HE1      PHE   8   7.397  -6.516 -14.397
   59    HE2  PHE   8           HE2      PHE   8   3.519  -6.885 -12.666
   60    HZ   PHE   8           HZ       PHE   8   5.253  -7.712 -14.207
   61    H    ARG   9           H        ARG   9   3.797  -0.946 -10.968
   62    HA   ARG   9           HA       ARG   9   1.573  -0.785 -11.416
   63    HB2  ARG   9          2HB       ARG   9   2.931  -0.414 -13.920
   64    HB3  ARG   9          3HB       ARG   9   1.412  -1.254 -14.198
   65    HG2  ARG   9          2HG       ARG   9   0.288   0.637 -13.984
   66    HG3  ARG   9          3HG       ARG   9   0.966   0.895 -12.375
   67    HD2  ARG   9          2HD       ARG   9   1.625   2.787 -13.571
   68    HD3  ARG   9          3HD       ARG   9   3.048   1.747 -13.604
   69    HE   ARG   9           HE       ARG   9   2.856   1.662 -15.873
   70   HH11  ARG   9          1HH1      ARG   9  -0.224   2.578 -14.535
   71   HH12  ARG   9          2HH1      ARG   9  -0.961   2.851 -16.079
   72   HH21  ARG   9          1HH2      ARG   9   1.898   2.018 -17.912
   73   HH22  ARG   9          2HH2      ARG   9   0.247   2.531 -17.999
  Start of MODEL    4
    1    H1   ARG   1           H        ARG   1   1.009   0.594   1.077
    2    HA   ARG   1           HA       ARG   1   1.696   1.252  -1.250
    3    HB2  ARG   1          2HB       ARG   1   3.250   0.068   0.362
    4    HB3  ARG   1          3HB       ARG   1   2.805  -1.434  -0.437
    5    HG2  ARG   1          2HG       ARG   1   3.731  -0.669  -2.515
    6    HG3  ARG   1          3HG       ARG   1   4.038   0.929  -1.833
    7    HD2  ARG   1          2HD       ARG   1   5.940   0.266  -0.858
    8    HD3  ARG   1          3HD       ARG   1   5.217  -1.233  -0.274
    9    HE   ARG   1           HE       ARG   1   6.132  -2.316  -2.063
   10   HH11  ARG   1          1HH1      ARG   1   6.091   1.103  -2.721
   11   HH12  ARG   1          2HH1      ARG   1   6.995   0.963  -4.193
   12   HH21  ARG   1          1HH2      ARG   1   7.323  -2.513  -3.999
   13   HH22  ARG   1          2HH2      ARG   1   7.694  -1.094  -4.919
   14    HA   PRO   2           HA       PRO   2  -1.138  -1.593  -3.586
   15    HB2  PRO   2          2HB       PRO   2  -2.213   0.364  -5.130
   16    HB3  PRO   2          3HB       PRO   2  -2.846  -0.057  -3.535
   17    HG2  PRO   2          2HG       PRO   2  -1.027   2.187  -4.318
   18    HG3  PRO   2          3HG       PRO   2  -2.415   2.205  -3.215
   19    HD2  PRO   2          2HD       PRO   2   0.143   2.093  -2.335
   20    HD3  PRO   2          3HD       PRO   2  -1.200   1.320  -1.469
   21    HA   PRO   3           HA       PRO   3   1.354  -1.943  -7.192
   22    HB2  PRO   3          2HB       PRO   3  -0.454  -2.589  -9.112
   23    HB3  PRO   3          3HB       PRO   3   0.030  -3.708  -7.832
   24    HG2  PRO   3          2HG       PRO   3  -2.409  -1.981  -8.017
   25    HG3  PRO   3          3HG       PRO   3  -2.270  -3.668  -7.489
   26    HD2  PRO   3          2HD       PRO   3  -2.466  -1.607  -5.744
   27    HD3  PRO   3          3HD       PRO   3  -1.545  -3.080  -5.382
   28    H    GLY   4           H        GLY   4  -1.473   0.146  -7.463
   29    HA2  GLY   4          2HA       GLY   4  -0.785   1.398  -9.899
   30    HA3  GLY   4          3HA       GLY   4  -1.854   2.061  -8.672
   31    H    PHE   5           H        PHE   5   0.502   1.738  -6.732
   32    HA   PHE   5           HA       PHE   5   1.675   4.344  -7.353
   33    HB2  PHE   5          2HB       PHE   5   0.820   3.063  -4.953
   34    HB3  PHE   5          3HB       PHE   5   2.548   3.371  -4.821
   35    HD1  PHE   5           HD1      PHE   5  -0.700   4.998  -5.553
   36    HD2  PHE   5           HD2      PHE   5   3.347   5.509  -4.338
   37    HE1  PHE   5           HE1      PHE   5  -1.168   7.348  -4.994
   38    HE2  PHE   5           HE2      PHE   5   2.885   7.859  -3.776
   39    HZ   PHE   5           HZ       PHE   5   0.626   8.782  -4.104
   40    H    SER   6           H        SER   6   2.500   0.986  -7.025
   41    HA   SER   6           HA       SER   6   5.229   1.083  -6.600
   42    HB2  SER   6          2HB       SER   6   3.391  -0.831  -7.946
   43    HB3  SER   6          3HB       SER   6   5.117  -1.026  -8.249
   44    HG   SER   6           HG       SER   6   5.033  -2.080  -6.422
   45    HA   PRO   7           HA       PRO   7   7.141   2.764 -10.172
   46    HB2  PRO   7          2HB       PRO   7   9.324   1.177 -10.465
   47    HB3  PRO   7          3HB       PRO   7   9.164   2.359  -9.161
   48    HG2  PRO   7          2HG       PRO   7   8.693  -0.596  -9.106
   49    HG3  PRO   7          3HG       PRO   7   9.518   0.427  -7.916
   50    HD2  PRO   7          2HD       PRO   7   6.965  -0.416  -7.593
   51    HD3  PRO   7          3HD       PRO   7   7.539   1.147  -6.978
   52    H    PHE   8           H        PHE   8   6.236  -0.585 -10.180
   53    HA   PHE   8           HA       PHE   8   6.808  -1.030 -12.962
   54    HB2  PHE   8          2HB       PHE   8   5.218  -2.617 -10.940
   55    HB3  PHE   8          3HB       PHE   8   5.500  -3.146 -12.595
   56    HD1  PHE   8           HD1      PHE   8   6.562  -3.560  -9.355
   57    HD2  PHE   8           HD2      PHE   8   8.124  -2.933 -13.265
   58    HE1  PHE   8           HE1      PHE   8   8.696  -4.571  -8.662
   59    HE2  PHE   8           HE2      PHE   8  10.259  -3.943 -12.578
   60    HZ   PHE   8           HZ       PHE   8  10.547  -4.764 -10.274
   61    H    ARG   9           H        ARG   9   4.182   0.244 -11.127
   62    HA   ARG   9           HA       ARG   9   2.735   0.837 -13.563
   63    HB2  ARG   9          2HB       ARG   9   1.955  -1.446 -12.723
   64    HB3  ARG   9          3HB       ARG   9   1.265  -0.587 -11.352
   65    HG2  ARG   9          2HG       ARG   9  -0.454   0.213 -12.551
   66    HG3  ARG   9          3HG       ARG   9   0.539   0.492 -13.983
   67    HD2  ARG   9          2HD       ARG   9   0.543  -2.011 -14.315
   68    HD3  ARG   9          3HD       ARG   9  -0.689  -2.094 -13.056
   69    HE   ARG   9           HE       ARG   9  -1.582  -0.252 -14.920
   70   HH11  ARG   9          1HH1      ARG   9  -0.789  -3.641 -14.828
   71   HH12  ARG   9          2HH1      ARG   9  -1.917  -4.072 -16.070
   72   HH21  ARG   9          1HH2      ARG   9  -3.070  -0.807 -16.558
   73   HH22  ARG   9          2HH2      ARG   9  -3.213  -2.460 -17.054
  Start of MODEL    5
    1    H1   ARG   1           H        ARG   1   0.690  -1.266   0.081
    2    HA   ARG   1           HA       ARG   1   1.693   0.706  -1.847
    3    HB2  ARG   1          2HB       ARG   1   2.862  -1.921  -0.914
    4    HB3  ARG   1          3HB       ARG   1   3.588  -0.884  -2.135
    5    HG2  ARG   1          2HG       ARG   1   3.671   0.931  -0.405
    6    HG3  ARG   1          3HG       ARG   1   3.186  -0.282   0.782
    7    HD2  ARG   1          2HD       ARG   1   5.394  -0.603   1.029
    8    HD3  ARG   1          3HD       ARG   1   5.247  -1.545  -0.454
    9    HE   ARG   1           HE       ARG   1   5.679   0.988  -1.334
   10   HH11  ARG   1          1HH1      ARG   1   7.337  -1.130   0.877
   11   HH12  ARG   1          2HH1      ARG   1   8.902  -0.464   0.545
   12   HH21  ARG   1          1HH2      ARG   1   7.734   1.873  -1.779
   13   HH22  ARG   1          2HH2      ARG   1   9.126   1.244  -0.965
   14    HA   PRO   2           HA       PRO   2  -0.996  -2.170  -4.341
   15    HB2  PRO   2          2HB       PRO   2  -2.270  -0.196  -5.702
   16    HB3  PRO   2          3HB       PRO   2  -2.828  -0.798  -4.136
   17    HG2  PRO   2          2HG       PRO   2  -1.225   1.652  -4.762
   18    HG3  PRO   2          3HG       PRO   2  -2.584   1.461  -3.639
   19    HD2  PRO   2          2HD       PRO   2  -0.006   1.502  -2.813
   20    HD3  PRO   2          3HD       PRO   2  -1.257   0.547  -1.991
   21    HA   PRO   3           HA       PRO   3   1.432  -2.011  -8.003
   22    HB2  PRO   3          2HB       PRO   3  -0.358  -2.656  -9.940
   23    HB3  PRO   3          3HB       PRO   3   0.249  -3.828  -8.764
   24    HG2  PRO   3          2HG       PRO   3  -2.332  -2.311  -8.768
   25    HG3  PRO   3          3HG       PRO   3  -2.037  -4.016  -8.381
   26    HD2  PRO   3          2HD       PRO   3  -2.368  -2.126  -6.471
   27    HD3  PRO   3          3HD       PRO   3  -1.316  -3.538  -6.245
   28    H    GLY   4           H        GLY   4  -1.425  -0.023  -7.842
   29    HA2  GLY   4          2HA       GLY   4  -1.026   1.423 -10.255
   30    HA3  GLY   4          3HA       GLY   4  -2.017   1.933  -8.896
   31    H    PHE   5           H        PHE   5   0.503   1.570  -7.182
   32    HA   PHE   5           HA       PHE   5   1.578   4.239  -7.759
   33    HB2  PHE   5          2HB       PHE   5   0.637   3.122  -5.396
   34    HB3  PHE   5          3HB       PHE   5   2.388   3.064  -5.219
   35    HD1  PHE   5           HD1      PHE   5   3.705   5.122  -5.212
   36    HD2  PHE   5           HD2      PHE   5  -0.546   5.199  -5.417
   37    HE1  PHE   5           HE1      PHE   5   3.721   7.504  -4.594
   38    HE2  PHE   5           HE2      PHE   5  -0.537   7.580  -4.800
   39    HZ   PHE   5           HZ       PHE   5   1.599   8.736  -4.388
   40    H    SER   6           H        SER   6   2.436   0.888  -7.470
   41    HA   SER   6           HA       SER   6   5.169   1.008  -7.070
   42    HB2  SER   6          2HB       SER   6   3.274  -0.933  -8.114
   43    HB3  SER   6          3HB       SER   6   4.834  -1.045  -8.929
   44    HG   SER   6           HG       SER   6   4.701  -2.330  -7.010
   45    HA   PRO   7           HA       PRO   7   7.027   2.732 -10.649
   46    HB2  PRO   7          2HB       PRO   7   9.221   1.167 -10.977
   47    HB3  PRO   7          3HB       PRO   7   9.065   2.338  -9.663
   48    HG2  PRO   7          2HG       PRO   7   8.622  -0.622  -9.624
   49    HG3  PRO   7          3HG       PRO   7   9.449   0.401  -8.435
   50    HD2  PRO   7          2HD       PRO   7   6.908  -0.469  -8.092
   51    HD3  PRO   7          3HD       PRO   7   7.474   1.096  -7.472
   52    H    PHE   8           H        PHE   8   6.202  -0.647 -10.673
   53    HA   PHE   8           HA       PHE   8   6.707  -1.018 -13.483
   54    HB2  PHE   8          2HB       PHE   8   5.226  -2.732 -11.478
   55    HB3  PHE   8          3HB       PHE   8   5.585  -3.212 -13.133
   56    HD1  PHE   8           HD1      PHE   8   8.257  -2.607 -13.655
   57    HD2  PHE   8           HD2      PHE   8   6.539  -3.809  -9.951
   58    HE1  PHE   8           HE1      PHE   8  10.440  -3.478 -12.929
   59    HE2  PHE   8           HE2      PHE   8   8.720  -4.682  -9.219
   60    HZ   PHE   8           HZ       PHE   8  10.674  -4.517 -10.708
   61    H    ARG   9           H        ARG   9   4.094   0.086 -11.524
   62    HA   ARG   9           HA       ARG   9   2.547   0.744 -13.859
   63    HB2  ARG   9          2HB       ARG   9   2.027  -1.720 -12.656
   64    HB3  ARG   9          3HB       ARG   9   0.776  -0.652 -12.033
   65    HG2  ARG   9          2HG       ARG   9   0.673  -0.010 -14.641
   66    HG3  ARG   9          3HG       ARG   9   1.201  -1.690 -14.754
   67    HD2  ARG   9          2HD       ARG   9  -1.210  -1.592 -14.821
   68    HD3  ARG   9          3HD       ARG   9  -0.690  -2.349 -13.316
   69    HE   ARG   9           HE       ARG   9  -1.018   0.364 -12.808
   70   HH11  ARG   9          1HH1      ARG   9  -2.969  -2.364 -13.743
   71   HH12  ARG   9          2HH1      ARG   9  -4.409  -1.755 -12.997
   72   HH21  ARG   9          1HH2      ARG   9  -2.907   1.176 -11.822
   73   HH22  ARG   9          2HH2      ARG   9  -4.373   0.258 -11.905
  Start of MODEL    6
    1    H1   ARG   1           H        ARG   1   1.901   1.173   0.648
    2    HA   ARG   1           HA       ARG   1   2.242   1.274  -1.767
    3    HB2  ARG   1          2HB       ARG   1   3.499  -1.165  -0.498
    4    HB3  ARG   1          3HB       ARG   1   4.005  -0.464  -2.029
    5    HG2  ARG   1          2HG       ARG   1   4.439   1.677  -0.768
    6    HG3  ARG   1          3HG       ARG   1   4.204   0.745   0.712
    7    HD2  ARG   1          2HD       ARG   1   6.315   0.069   0.608
    8    HD3  ARG   1          3HD       ARG   1   5.980  -0.714  -0.936
    9    HE   ARG   1           HE       ARG   1   6.375   1.915  -1.566
   10   HH11  ARG   1          1HH1      ARG   1   8.216  -0.533   0.089
   11   HH12  ARG   1          2HH1      ARG   1   9.751   0.119  -0.381
   12   HH21  ARG   1          1HH2      ARG   1   8.390   2.783  -2.190
   13   HH22  ARG   1          2HH2      ARG   1   9.849   2.005  -1.677
   14    HA   PRO   2           HA       PRO   2  -0.952  -1.887  -3.011
   15    HB2  PRO   2          2HB       PRO   2  -2.424  -0.171  -4.514
   16    HB3  PRO   2          3HB       PRO   2  -2.677  -0.388  -2.778
   17    HG2  PRO   2          2HG       PRO   2  -1.176   1.764  -4.220
   18    HG3  PRO   2          3HG       PRO   2  -2.292   1.905  -2.849
   19    HD2  PRO   2          2HD       PRO   2   0.398   1.955  -2.548
   20    HD3  PRO   2          3HD       PRO   2  -0.688   1.280  -1.316
   21    HA   PRO   3           HA       PRO   3   0.715  -2.669  -7.005
   22    HB2  PRO   3          2HB       PRO   3  -1.433  -3.596  -8.382
   23    HB3  PRO   3          3HB       PRO   3  -0.633  -4.526  -7.110
   24    HG2  PRO   3          2HG       PRO   3  -3.131  -2.883  -6.968
   25    HG3  PRO   3          3HG       PRO   3  -2.804  -4.482  -6.276
   26    HD2  PRO   3          2HD       PRO   3  -2.713  -2.210  -4.804
   27    HD3  PRO   3          3HD       PRO   3  -1.668  -3.606  -4.471
   28    H    GLY   4           H        GLY   4  -2.179  -0.665  -6.890
   29    HA2  GLY   4          2HA       GLY   4  -2.057   0.266  -9.568
   30    HA3  GLY   4          3HA       GLY   4  -2.928   1.031  -8.248
   31    H    PHE   5           H        PHE   5  -0.389   1.195  -6.665
   32    HA   PHE   5           HA       PHE   5   0.581   3.656  -7.914
   33    HB2  PHE   5          2HB       PHE   5  -0.209   3.271  -5.387
   34    HB3  PHE   5          3HB       PHE   5   1.489   2.844  -5.200
   35    HD1  PHE   5           HD1      PHE   5  -0.841   5.534  -6.139
   36    HD2  PHE   5           HD2      PHE   5   3.192   4.496  -5.256
   37    HE1  PHE   5           HE1      PHE   5  -0.263   7.921  -5.990
   38    HE2  PHE   5           HE2      PHE   5   3.776   6.881  -5.105
   39    HZ   PHE   5           HZ       PHE   5   2.048   8.597  -5.471
   40    H    SER   6           H        SER   6   1.625   0.476  -6.941
   41    HA   SER   6           HA       SER   6   4.373   0.759  -6.889
   42    HB2  SER   6          2HB       SER   6   2.487  -1.428  -7.233
   43    HB3  SER   6          3HB       SER   6   3.967  -1.692  -8.154
   44    HG   SER   6           HG       SER   6   4.041  -0.875  -5.454
   45    HA   PRO   7           HA       PRO   7   5.772   1.613 -10.958
   46    HB2  PRO   7          2HB       PRO   7   8.001   0.074 -11.142
   47    HB3  PRO   7          3HB       PRO   7   7.915   1.525 -10.135
   48    HG2  PRO   7          2HG       PRO   7   7.634  -1.349  -9.344
   49    HG3  PRO   7          3HG       PRO   7   8.521  -0.046  -8.531
   50    HD2  PRO   7          2HD       PRO   7   6.076  -0.874  -7.714
   51    HD3  PRO   7          3HD       PRO   7   6.618   0.809  -7.551
   52    H    PHE   8           H        PHE   8   5.031  -1.653 -10.085
   53    HA   PHE   8           HA       PHE   8   5.366  -2.771 -12.703
   54    HB2  PHE   8          2HB       PHE   8   4.612  -3.719 -10.054
   55    HB3  PHE   8          3HB       PHE   8   3.628  -4.443 -11.321
   56    HD1  PHE   8           HD1      PHE   8   4.813  -5.575 -13.255
   57    HD2  PHE   8           HD2      PHE   8   6.781  -4.469  -9.647
   58    HE1  PHE   8           HE1      PHE   8   6.629  -7.155 -13.766
   59    HE2  PHE   8           HE2      PHE   8   8.600  -6.046 -10.152
   60    HZ   PHE   8           HZ       PHE   8   8.527  -7.391 -12.214
   61    H    ARG   9           H        ARG   9   2.871  -1.060 -11.049
   62    HA   ARG   9           HA       ARG   9   0.773  -0.406 -11.635
   63    HB2  ARG   9          2HB       ARG   9   2.024  -0.891 -14.327
   64    HB3  ARG   9          3HB       ARG   9   0.356  -0.354 -14.180
   65    HG2  ARG   9          2HG       ARG   9   1.170   1.602 -12.874
   66    HG3  ARG   9          3HG       ARG   9   2.819   1.087 -13.231
   67    HD2  ARG   9          2HD       ARG   9   1.631   1.072 -15.705
   68    HD3  ARG   9          3HD       ARG   9   0.868   2.454 -14.920
   69    HE   ARG   9           HE       ARG   9   3.668   2.525 -14.533
   70   HH11  ARG   9          1HH1      ARG   9   1.226   3.038 -16.961
   71   HH12  ARG   9          2HH1      ARG   9   2.171   4.182 -17.856
   72   HH21  ARG   9          1HH2      ARG   9   4.922   4.030 -15.703
   73   HH22  ARG   9          2HH2      ARG   9   4.273   4.745 -17.140
  Start of MODEL    7
    1    H1   ARG   1           H        ARG   1   0.301  -1.114   0.246
    2    HA   ARG   1           HA       ARG   1   1.399   0.806  -1.665
    3    HB2  ARG   1          2HB       ARG   1   2.395  -1.682  -0.361
    4    HB3  ARG   1          3HB       ARG   1   3.048  -1.262  -1.939
    5    HG2  ARG   1          2HG       ARG   1   2.980   0.836   0.164
    6    HG3  ARG   1          3HG       ARG   1   4.189  -0.445   0.281
    7    HD2  ARG   1          2HD       ARG   1   3.799   1.020  -2.295
    8    HD3  ARG   1          3HD       ARG   1   4.743   1.753  -1.000
    9    HE   ARG   1           HE       ARG   1   5.515  -0.448  -2.675
   10   HH11  ARG   1          1HH1      ARG   1   5.992   1.104   0.404
   11   HH12  ARG   1          2HH1      ARG   1   7.584   0.460   0.629
   12   HH21  ARG   1          1HH2      ARG   1   7.611  -1.302  -2.390
   13   HH22  ARG   1          2HH2      ARG   1   8.504  -0.908  -0.961
   14    HA   PRO   2           HA       PRO   2  -1.324  -1.878  -4.324
   15    HB2  PRO   2          2HB       PRO   2  -2.420   0.184  -5.708
   16    HB3  PRO   2          3HB       PRO   2  -3.081  -0.405  -4.178
   17    HG2  PRO   2          2HG       PRO   2  -1.315   1.956  -4.694
   18    HG3  PRO   2          3HG       PRO   2  -2.731   1.829  -3.635
   19    HD2  PRO   2          2HD       PRO   2  -0.195   1.709  -2.695
   20    HD3  PRO   2          3HD       PRO   2  -1.534   0.817  -1.945
   21    HA   PRO   3           HA       PRO   3   1.271  -1.811  -7.873
   22    HB2  PRO   3          2HB       PRO   3  -0.463  -2.324  -9.897
   23    HB3  PRO   3          3HB       PRO   3   0.022  -3.545  -8.714
   24    HG2  PRO   3          2HG       PRO   3  -2.465  -1.881  -8.807
   25    HG3  PRO   3          3HG       PRO   3  -2.286  -3.606  -8.436
   26    HD2  PRO   3          2HD       PRO   3  -2.594  -1.726  -6.512
   27    HD3  PRO   3          3HD       PRO   3  -1.635  -3.200  -6.263
   28    H    GLY   4           H        GLY   4  -1.495   0.319  -7.838
   29    HA2  GLY   4          2HA       GLY   4  -0.807   1.789 -10.190
   30    HA3  GLY   4          3HA       GLY   4  -1.951   2.285  -8.951
   31    H    PHE   5           H        PHE   5   0.288   1.865  -6.922
   32    HA   PHE   5           HA       PHE   5   1.374   4.557  -7.192
   33    HB2  PHE   5          2HB       PHE   5   0.293   3.740  -5.058
   34    HB3  PHE   5          3HB       PHE   5   1.677   2.672  -4.852
   35    HD1  PHE   5           HD1      PHE   5   3.877   3.568  -4.334
   36    HD2  PHE   5           HD2      PHE   5   0.484   6.110  -4.718
   37    HE1  PHE   5           HE1      PHE   5   5.116   5.383  -3.228
   38    HE2  PHE   5           HE2      PHE   5   1.718   7.930  -3.614
   39    HZ   PHE   5           HZ       PHE   5   4.038   7.568  -2.868
   40    H    SER   6           H        SER   6   2.380   1.227  -7.258
   41    HA   SER   6           HA       SER   6   5.137   1.568  -6.849
   42    HB2  SER   6          2HB       SER   6   3.376  -0.543  -7.900
   43    HB3  SER   6          3HB       SER   6   5.016  -0.577  -8.546
   44    HG   SER   6           HG       SER   6   4.671  -1.777  -6.548
   45    HA   PRO   7           HA       PRO   7   6.707   3.312 -10.555
   46    HB2  PRO   7          2HB       PRO   7   9.004   1.915 -10.928
   47    HB3  PRO   7          3HB       PRO   7   8.807   3.114  -9.645
   48    HG2  PRO   7          2HG       PRO   7   8.605   0.131  -9.498
   49    HG3  PRO   7          3HG       PRO   7   9.394   1.255  -8.377
   50    HD2  PRO   7          2HD       PRO   7   6.947   0.200  -7.899
   51    HD3  PRO   7          3HD       PRO   7   7.410   1.824  -7.351
   52    H    PHE   8           H        PHE   8   6.073  -0.091 -10.438
   53    HA   PHE   8           HA       PHE   8   6.575  -0.599 -13.216
   54    HB2  PHE   8          2HB       PHE   8   5.585  -2.133 -10.892
   55    HB3  PHE   8          3HB       PHE   8   4.976  -2.656 -12.459
   56    HD1  PHE   8           HD1      PHE   8   6.579  -3.364 -14.223
   57    HD2  PHE   8           HD2      PHE   8   7.803  -2.577 -10.224
   58    HE1  PHE   8           HE1      PHE   8   8.667  -4.601 -14.623
   59    HE2  PHE   8           HE2      PHE   8   9.894  -3.812 -10.617
   60    HZ   PHE   8           HZ       PHE   8  10.329  -4.826 -12.819
   61    H    ARG   9           H        ARG   9   3.932   0.604 -11.358
   62    HA   ARG   9           HA       ARG   9   2.391   1.013 -13.779
   63    HB2  ARG   9          2HB       ARG   9   1.796  -1.146 -12.016
   64    HB3  ARG   9          3HB       ARG   9   0.521   0.054 -11.854
   65    HG2  ARG   9          2HG       ARG   9  -0.188  -0.202 -14.017
   66    HG3  ARG   9          3HG       ARG   9   1.388  -0.758 -14.582
   67    HD2  ARG   9          2HD       ARG   9   0.494  -2.807 -14.530
   68    HD3  ARG   9          3HD       ARG   9   0.683  -2.698 -12.780
   69    HE   ARG   9           HE       ARG   9  -1.738  -1.534 -13.297
   70   HH11  ARG   9          1HH1      ARG   9  -0.287  -4.632 -13.942
   71   HH12  ARG   9          2HH1      ARG   9  -1.790  -5.493 -13.889
   72   HH21  ARG   9          1HH2      ARG   9  -3.723  -2.655 -13.224
   73   HH22  ARG   9          2HH2      ARG   9  -3.744  -4.367 -13.482
  Start of MODEL    8
    1    H1   ARG   1           H        ARG   1   0.337   1.878  -0.253
    2    HA   ARG   1           HA       ARG   1   1.883   2.204  -2.024
    3    HB2  ARG   1          2HB       ARG   1   3.939   0.723  -2.073
    4    HB3  ARG   1          3HB       ARG   1   3.891   1.930  -0.795
    5    HG2  ARG   1          2HG       ARG   1   4.008   0.383   0.794
    6    HG3  ARG   1          3HG       ARG   1   2.729  -0.582   0.053
    7    HD2  ARG   1          2HD       ARG   1   4.404  -2.063  -0.252
    8    HD3  ARG   1          3HD       ARG   1   4.734  -1.069  -1.671
    9    HE   ARG   1           HE       ARG   1   6.106  -0.074   0.602
   10   HH11  ARG   1          1HH1      ARG   1   6.178  -2.624  -1.766
   11   HH12  ARG   1          2HH1      ARG   1   7.893  -2.848  -1.665
   12   HH21  ARG   1          1HH2      ARG   1   8.365  -0.358   0.744
   13   HH22  ARG   1          2HH2      ARG   1   9.136  -1.558  -0.236
   14    HA   PRO   2           HA       PRO   2  -0.577  -1.550  -3.230
   15    HB2  PRO   2          2HB       PRO   2  -2.154  -0.236  -5.006
   16    HB3  PRO   2          3HB       PRO   2  -2.535  -0.348  -3.284
   17    HG2  PRO   2          2HG       PRO   2  -1.266   1.899  -4.802
   18    HG3  PRO   2          3HG       PRO   2  -2.516   1.963  -3.546
   19    HD2  PRO   2          2HD       PRO   2   0.090   2.489  -3.035
   20    HD3  PRO   2          3HD       PRO   2  -0.987   1.745  -1.835
   21    HA   PRO   3           HA       PRO   3   1.567  -2.369  -6.980
   22    HB2  PRO   3          2HB       PRO   3  -0.264  -3.754  -8.430
   23    HB3  PRO   3          3HB       PRO   3   0.549  -4.428  -7.012
   24    HG2  PRO   3          2HG       PRO   3  -2.182  -3.221  -7.234
   25    HG3  PRO   3          3HG       PRO   3  -1.670  -4.680  -6.365
   26    HD2  PRO   3          2HD       PRO   3  -2.084  -2.312  -5.119
   27    HD3  PRO   3          3HD       PRO   3  -0.866  -3.480  -4.568
   28    H    GLY   4           H        GLY   4  -1.582  -0.835  -7.266
   29    HA2  GLY   4          2HA       GLY   4  -1.395  -0.145 -10.011
   30    HA3  GLY   4          3HA       GLY   4  -2.458   0.604  -8.829
   31    H    PHE   5           H        PHE   5   0.052   1.182  -7.183
   32    HA   PHE   5           HA       PHE   5   0.630   3.721  -8.505
   33    HB2  PHE   5          2HB       PHE   5  -0.091   3.608  -6.086
   34    HB3  PHE   5          3HB       PHE   5   1.460   2.852  -5.734
   35    HD1  PHE   5           HD1      PHE   5   3.042   4.245  -4.855
   36    HD2  PHE   5           HD2      PHE   5   0.235   5.824  -7.638
   37    HE1  PHE   5           HE1      PHE   5   4.075   6.467  -4.631
   38    HE2  PHE   5           HE2      PHE   5   1.264   8.048  -7.419
   39    HZ   PHE   5           HZ       PHE   5   3.187   8.372  -5.915
   40    H    SER   6           H        SER   6   2.182   0.759  -7.495
   41    HA   SER   6           HA       SER   6   4.861   1.545  -7.672
   42    HB2  SER   6          2HB       SER   6   5.311  -0.638  -7.273
   43    HB3  SER   6          3HB       SER   6   3.568  -0.782  -7.046
   44    HG   SER   6           HG       SER   6   3.578  -2.066  -8.694
   45    HA   PRO   7           HA       PRO   7   5.765   1.989 -11.941
   46    HB2  PRO   7          2HB       PRO   7   8.216   0.839 -12.139
   47    HB3  PRO   7          3HB       PRO   7   7.946   2.391 -11.338
   48    HG2  PRO   7          2HG       PRO   7   8.253  -0.333 -10.136
   49    HG3  PRO   7          3HG       PRO   7   8.948   1.209  -9.604
   50    HD2  PRO   7          2HD       PRO   7   6.765   0.116  -8.435
   51    HD3  PRO   7          3HD       PRO   7   7.003   1.871  -8.560
   52    H    PHE   8           H        PHE   8   5.827  -1.209 -10.563
   53    HA   PHE   8           HA       PHE   8   6.038  -2.578 -13.084
   54    HB2  PHE   8          2HB       PHE   8   5.149  -3.691 -10.417
   55    HB3  PHE   8          3HB       PHE   8   5.727  -4.606 -11.805
   56    HD1  PHE   8           HD1      PHE   8   8.131  -4.230 -12.555
   57    HD2  PHE   8           HD2      PHE   8   6.628  -2.938  -8.788
   58    HE1  PHE   8           HE1      PHE   8  10.430  -4.091 -11.689
   59    HE2  PHE   8           HE2      PHE   8   8.924  -2.797  -7.916
   60    HZ   PHE   8           HZ       PHE   8  10.829  -3.373  -9.367
   61    H    ARG   9           H        ARG   9   3.501  -1.263 -11.156
   62    HA   ARG   9           HA       ARG   9   1.239  -1.192 -11.387
   63    HB2  ARG   9          2HB       ARG   9   2.333  -1.300 -14.092
   64    HB3  ARG   9          3HB       ARG   9   0.689  -1.918 -13.998
   65    HG2  ARG   9          2HG       ARG   9   1.191   0.627 -12.601
   66    HG3  ARG   9          3HG       ARG   9   1.293   0.668 -14.362
   67    HD2  ARG   9          2HD       ARG   9  -0.986  -0.835 -13.807
   68    HD3  ARG   9          3HD       ARG   9  -1.028   0.495 -12.650
   69    HE   ARG   9           HE       ARG   9  -1.377   0.661 -15.502
   70   HH11  ARG   9          1HH1      ARG   9  -0.503   2.388 -12.608
   71   HH12  ARG   9          2HH1      ARG   9  -0.901   3.943 -13.259
   72   HH21  ARG   9          1HH2      ARG   9  -1.904   2.703 -16.371
   73   HH22  ARG   9          2HH2      ARG   9  -1.699   4.121 -15.399
  Start of MODEL    9
    1    H1   ARG   1           H        ARG   1   0.942  -0.523   0.244
    2    HA   ARG   1           HA       ARG   1   2.118   1.393  -1.657
    3    HB2  ARG   1          2HB       ARG   1   3.377  -1.185  -0.698
    4    HB3  ARG   1          3HB       ARG   1   4.038  -0.120  -1.931
    5    HG2  ARG   1          2HG       ARG   1   4.467   1.592  -0.356
    6    HG3  ARG   1          3HG       ARG   1   3.516   0.778   0.888
    7    HD2  ARG   1          2HD       ARG   1   5.560  -0.984  -0.071
    8    HD3  ARG   1          3HD       ARG   1   6.279   0.557   0.392
    9    HE   ARG   1           HE       ARG   1   4.613  -0.081   2.462
   10   HH11  ARG   1          1HH1      ARG   1   7.280  -1.643   0.860
   11   HH12  ARG   1          2HH1      ARG   1   7.797  -2.500   2.274
   12   HH21  ARG   1          1HH2      ARG   1   5.284  -1.204   4.331
   13   HH22  ARG   1          2HH2      ARG   1   6.660  -2.251   4.248
   14    HA   PRO   2           HA       PRO   2  -0.684  -1.626  -3.815
   15    HB2  PRO   2          2HB       PRO   2  -1.962   0.256  -5.296
   16    HB3  PRO   2          3HB       PRO   2  -2.475  -0.195  -3.666
   17    HG2  PRO   2          2HG       PRO   2  -0.843   2.151  -4.557
   18    HG3  PRO   2          3HG       PRO   2  -2.164   2.091  -3.375
   19    HD2  PRO   2          2HD       PRO   2   0.444   2.137  -2.645
   20    HD3  PRO   2          3HD       PRO   2  -0.797   1.287  -1.701
   21    HA   PRO   3           HA       PRO   3   1.612  -1.842  -7.559
   22    HB2  PRO   3          2HB       PRO   3  -0.262  -2.604  -9.370
   23    HB3  PRO   3          3HB       PRO   3   0.361  -3.686  -8.119
   24    HG2  PRO   3          2HG       PRO   3  -2.183  -2.110  -8.164
   25    HG3  PRO   3          3HG       PRO   3  -1.913  -3.784  -7.643
   26    HD2  PRO   3          2HD       PRO   3  -2.131  -1.730  -5.892
   27    HD3  PRO   3          3HD       PRO   3  -1.103  -3.143  -5.582
   28    H    GLY   4           H        GLY   4  -1.273   0.150  -7.566
   29    HA2  GLY   4          2HA       GLY   4  -0.835   1.407 -10.076
   30    HA3  GLY   4          3HA       GLY   4  -1.862   2.010  -8.784
   31    H    PHE   5           H        PHE   5   0.623   1.818  -6.992
   32    HA   PHE   5           HA       PHE   5   1.579   4.499  -7.633
   33    HB2  PHE   5          2HB       PHE   5   0.991   3.140  -5.228
   34    HB3  PHE   5          3HB       PHE   5   2.729   3.422  -5.227
   35    HD1  PHE   5           HD1      PHE   5  -0.478   5.205  -5.871
   36    HD2  PHE   5           HD2      PHE   5   3.533   5.440  -4.466
   37    HE1  PHE   5           HE1      PHE   5  -0.862   7.533  -5.175
   38    HE2  PHE   5           HE2      PHE   5   3.155   7.768  -3.767
   39    HZ   PHE   5           HZ       PHE   5   0.955   8.818  -4.120
   40    H    SER   6           H        SER   6   2.692   1.198  -7.428
   41    HA   SER   6           HA       SER   6   5.447   1.583  -7.346
   42    HB2  SER   6          2HB       SER   6   3.634  -0.589  -8.209
   43    HB3  SER   6          3HB       SER   6   5.259  -0.641  -8.891
   44    HG   SER   6           HG       SER   6   4.435  -0.856  -6.221
   45    HA   PRO   7           HA       PRO   7   6.675   3.166 -11.247
   46    HB2  PRO   7          2HB       PRO   7   8.950   1.772 -11.751
   47    HB3  PRO   7          3HB       PRO   7   8.847   3.028 -10.511
   48    HG2  PRO   7          2HG       PRO   7   8.694   0.053 -10.212
   49    HG3  PRO   7          3HG       PRO   7   9.562   1.235  -9.215
   50    HD2  PRO   7          2HD       PRO   7   7.177   0.183  -8.483
   51    HD3  PRO   7          3HD       PRO   7   7.665   1.834  -8.051
   52    H    PHE   8           H        PHE   8   6.064  -0.221 -10.920
   53    HA   PHE   8           HA       PHE   8   6.328  -0.837 -13.719
   54    HB2  PHE   8          2HB       PHE   8   5.752  -2.300 -11.248
   55    HB3  PHE   8          3HB       PHE   8   4.823  -2.872 -12.630
   56    HD1  PHE   8           HD1      PHE   8   6.338  -3.048 -14.859
   57    HD2  PHE   8           HD2      PHE   8   7.732  -3.367 -10.850
   58    HE1  PHE   8           HE1      PHE   8   8.289  -4.327 -15.643
   59    HE2  PHE   8           HE2      PHE   8   9.685  -4.646 -11.628
   60    HZ   PHE   8           HZ       PHE   8   9.966  -5.127 -14.027
   61    H    ARG   9           H        ARG   9   3.855   0.364 -11.638
   62    HA   ARG   9           HA       ARG   9   2.050   0.600 -13.902
   63    HB2  ARG   9          2HB       ARG   9   1.701  -1.407 -11.879
   64    HB3  ARG   9          3HB       ARG   9   0.394  -0.235 -11.768
   65    HG2  ARG   9          2HG       ARG   9   0.787  -0.861 -14.508
   66    HG3  ARG   9          3HG       ARG   9   0.703  -2.370 -13.597
   67    HD2  ARG   9          2HD       ARG   9  -1.419  -1.799 -12.691
   68    HD3  ARG   9          3HD       ARG   9  -1.297  -0.143 -13.285
   69    HE   ARG   9           HE       ARG   9  -2.079  -0.860 -15.308
   70   HH11  ARG   9          1HH1      ARG   9  -0.948  -3.611 -13.499
   71   HH12  ARG   9          2HH1      ARG   9  -1.529  -4.770 -14.648
   72   HH21  ARG   9          1HH2      ARG   9  -2.849  -2.376 -16.828
   73   HH22  ARG   9          2HH2      ARG   9  -2.609  -4.066 -16.542
  Start of MODEL   10
    1    H1   ARG   1           H        ARG   1   0.665   2.136   0.089
    2    HA   ARG   1           HA       ARG   1   2.064   2.378  -1.765
    3    HB2  ARG   1          2HB       ARG   1   4.140   0.939  -1.911
    4    HB3  ARG   1          3HB       ARG   1   4.120   2.122  -0.611
    5    HG2  ARG   1          2HG       ARG   1   4.378   0.545   0.923
    6    HG3  ARG   1          3HG       ARG   1   3.024  -0.386   0.279
    7    HD2  ARG   1          2HD       ARG   1   4.721  -1.876  -0.062
    8    HD3  ARG   1          3HD       ARG   1   4.779  -0.997  -1.590
    9    HE   ARG   1           HE       ARG   1   6.505   0.377  -0.034
   10   HH11  ARG   1          1HH1      ARG   1   6.168  -3.000  -0.807
   11   HH12  ARG   1          2HH1      ARG   1   7.860  -3.338  -0.656
   12   HH21  ARG   1          1HH2      ARG   1   8.735  -0.054   0.168
   13   HH22  ARG   1          2HH2      ARG   1   9.320  -1.661  -0.100
   14    HA   PRO   2           HA       PRO   2  -0.381  -1.414  -2.897
   15    HB2  PRO   2          2HB       PRO   2  -2.076  -0.113  -4.572
   16    HB3  PRO   2          3HB       PRO   2  -2.366  -0.258  -2.834
   17    HG2  PRO   2          2HG       PRO   2  -1.228   2.040  -4.379
   18    HG3  PRO   2          3HG       PRO   2  -2.414   2.056  -3.062
   19    HD2  PRO   2          2HD       PRO   2   0.202   2.637  -2.674
   20    HD3  PRO   2          3HD       PRO   2  -0.795   1.851  -1.433
   21    HA   PRO   3           HA       PRO   3   1.589  -2.128  -6.763
   22    HB2  PRO   3          2HB       PRO   3  -0.280  -3.536  -8.139
   23    HB3  PRO   3          3HB       PRO   3   0.618  -4.211  -6.775
   24    HG2  PRO   3          2HG       PRO   3  -2.147  -3.066  -6.841
   25    HG3  PRO   3          3HG       PRO   3  -1.559  -4.524  -6.021
   26    HD2  PRO   3          2HD       PRO   3  -1.964  -2.184  -4.720
   27    HD3  PRO   3          3HD       PRO   3  -0.693  -3.331  -4.249
   28    H    GLY   4           H        GLY   4  -1.603  -0.662  -6.863
   29    HA2  GLY   4          2HA       GLY   4  -1.631   0.050  -9.594
   30    HA3  GLY   4          3HA       GLY   4  -2.566   0.824  -8.323
   31    H    PHE   5           H        PHE   5   0.115   1.346  -6.931
   32    HA   PHE   5           HA       PHE   5   0.665   3.831  -8.387
   33    HB2  PHE   5          2HB       PHE   5   0.143   3.412  -5.727
   34    HB3  PHE   5          3HB       PHE   5   1.902   3.491  -5.745
   35    HD1  PHE   5           HD1      PHE   5   2.784   5.548  -5.290
   36    HD2  PHE   5           HD2      PHE   5  -0.932   5.318  -7.354
   37    HE1  PHE   5           HE1      PHE   5   2.674   8.005  -5.358
   38    HE2  PHE   5           HE2      PHE   5  -1.047   7.775  -7.425
   39    HZ   PHE   5           HZ       PHE   5   0.757   9.122  -6.427
   40    H    SER   6           H        SER   6   2.158   0.901  -7.209
   41    HA   SER   6           HA       SER   6   4.851   1.583  -7.443
   42    HB2  SER   6          2HB       SER   6   3.314  -0.972  -7.523
   43    HB3  SER   6          3HB       SER   6   4.993  -1.004  -8.062
   44    HG   SER   6           HG       SER   6   4.146  -1.104  -5.602
   45    HA   PRO   7           HA       PRO   7   5.757   1.863 -11.725
   46    HB2  PRO   7          2HB       PRO   7   8.168   0.627 -11.892
   47    HB3  PRO   7          3HB       PRO   7   7.951   2.212 -11.139
   48    HG2  PRO   7          2HG       PRO   7   8.173  -0.482  -9.853
   49    HG3  PRO   7          3HG       PRO   7   8.919   1.053  -9.371
   50    HD2  PRO   7          2HD       PRO   7   6.704   0.069  -8.164
   51    HD3  PRO   7          3HD       PRO   7   7.000   1.810  -8.345
   52    H    PHE   8           H        PHE   8   5.682  -1.282 -10.245
   53    HA   PHE   8           HA       PHE   8   5.888  -2.762 -12.695
   54    HB2  PHE   8          2HB       PHE   8   5.630  -3.362  -9.844
   55    HB3  PHE   8          3HB       PHE   8   4.714  -4.464 -10.865
   56    HD1  PHE   8           HD1      PHE   8   5.886  -5.775 -12.619
   57    HD2  PHE   8           HD2      PHE   8   7.986  -3.460  -9.729
   58    HE1  PHE   8           HE1      PHE   8   7.945  -7.028 -13.116
   59    HE2  PHE   8           HE2      PHE   8  10.047  -4.709 -10.221
   60    HZ   PHE   8           HZ       PHE   8  10.029  -6.495 -11.917
   61    H    ARG   9           H        ARG   9   3.356  -1.228 -10.929
   62    HA   ARG   9           HA       ARG   9   1.118  -1.018 -11.278
   63    HB2  ARG   9          2HB       ARG   9   2.324  -0.982 -13.792
   64    HB3  ARG   9          3HB       ARG   9   0.990  -2.115 -13.964
   65    HG2  ARG   9          2HG       ARG   9  -0.588  -0.511 -13.725
   66    HG3  ARG   9          3HG       ARG   9   0.393   0.443 -12.611
   67    HD2  ARG   9          2HD       ARG   9   1.878   0.819 -14.741
   68    HD3  ARG   9          3HD       ARG   9   0.391   0.405 -15.593
   69    HE   ARG   9           HE       ARG   9  -0.004   2.403 -13.583
   70   HH11  ARG   9          1HH1      ARG   9   1.036   1.852 -16.859
   71   HH12  ARG   9          2HH1      ARG   9   0.658   3.458 -17.387
   72   HH21  ARG   9          1HH2      ARG   9  -0.506   4.521 -14.266
   73   HH22  ARG   9          2HH2      ARG   9  -0.218   4.976 -15.912