*HEADER    MEMBRANE PROTEIN                        15-AUG-13   2MC7              
*TITLE     STRUCTURE OF SALMONELLA MGTR                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: REGULATORY PEPTIDE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM;                         
*SOURCE   4 ORGANISM_TAXID: 90371                                                
*KEYWDS    TRANSMEMBRANE HELICAL COMPLEX, MEMBRANE PROTEIN                       
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    1                                                                     
*AUTHOR    F.JEAN-FRANCOIS, J.DAI, L.YU, A.MYRICK, E.RUBIN, P.FAJER, L.SONG,     
*AUTHOR   2 H.ZHOU, T.CROSS                                                      
*REVDAT   1   30-OCT-13 2MC7    0                                                


! chemical shift
8 N 8 HN 8 CA 57.0 80.0 228.0 177
10 N 10 HN 10 CA 57.0 80.0 228.0 188
11 N 11 HN 11 CA 57.0 80.0 228.0 163
12 N 12 HN 12 CA 57.0 80.0 228.0 195
13 N 13 HN 13 CA 57.0 80.0 228.0 199
16 N 16 HN 16 CA 57.0 80.0 228.0 196
23 N 23 HN 23 CA 57.0 80.0 228.0 191
24 N 24 HN 24 CA 57.0 80.0 228.0 197


! dipolar coupling
8 N 8 HN 10.735 3.2 sign 1 error 0.3
10 N 10 HN 10.735 8.6 sign 1 error 0.3
11 N 11 HN 10.735 5.9 sign 1 error 0.3
12 N 12 HN 10.735 4.3 sign 1 error 0.3
13 N 13 HN 10.735 7.6 sign 1 error 0.3
16 N 16 HN 10.735 4.6 sign 1 error 0.3
23 N 23 HN 10.735 3.5 sign 1 error 0.3
24 N 24 HN 10.735 7.7 sign 1 error 0.3

  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           HT1      MET   1   3.903   1.221 -14.261
    2    H2   MET   1           HT2      MET   1   4.057   1.078 -12.603
    3    H3   MET   1           HT3      MET   1   2.570   1.592 -13.305
    4    HA   MET   1           HA       MET   1   4.078  -0.907 -13.324
    5    HB2  MET   1           HB2      MET   1   2.623  -0.713 -11.346
    6    HB3  MET   1           HB1      MET   1   1.123  -0.322 -12.370
    7    HG2  MET   1           HG2      MET   1   1.056  -2.709 -13.199
    8    HG3  MET   1           HG1      MET   1   2.635  -2.975 -12.357
    9    HE1  MET   1           HE1      MET   1   1.824  -4.975 -11.552
   10    HE2  MET   1           HE2      MET   1   0.131  -4.916 -11.774
   11    HE3  MET   1           HE3      MET   1   0.670  -5.160 -10.090
   12    H    ASN   2           HN       ASN   2   3.799  -2.547 -14.959
   13    HA   ASN   2           HA       ASN   2   1.964  -1.693 -17.138
   14    HB2  ASN   2           HB2      ASN   2   4.578  -1.807 -17.482
   15    HB3  ASN   2           HB1      ASN   2   4.485  -3.526 -17.348
   16   HD21  ASN   2          HD21      ASN   2   4.611  -4.187 -19.330
   17   HD22  ASN   2          HD22      ASN   2   4.097  -3.494 -20.838
   18    H    ARG   3           HN       ARG   3   2.774  -4.394 -15.065
   19    HA   ARG   3           HA       ARG   3   1.255  -6.596 -16.323
   20    HB2  ARG   3           HB2      ARG   3   2.770  -6.873 -14.294
   21    HB3  ARG   3           HB1      ARG   3   1.667  -5.792 -13.343
   22    HG2  ARG   3           HG2      ARG   3   1.355  -7.948 -12.725
   23    HG3  ARG   3           HG1      ARG   3  -0.131  -7.604 -13.489
   24    HD2  ARG   3           HD2      ARG   3   1.090  -8.584 -15.680
   25    HD3  ARG   3           HD1      ARG   3   1.952  -9.490 -14.145
   26    HE   ARG   3           HE       ARG   3  -0.599  -9.845 -13.471
   27   HH11  ARG   3          HH21      ARG   3   0.752 -10.665 -16.682
   28   HH12  ARG   3          HH22      ARG   3  -0.471 -11.887 -16.816
   29   HH21  ARG   3          HH11      ARG   3  -2.153 -11.515 -13.972
   30   HH22  ARG   3          HH12      ARG   3  -1.820 -12.479 -15.336
   31    H    SER   4           HN       SER   4  -0.715  -6.209 -17.285
   32    HA   SER   4           HA       SER   4  -2.410  -4.187 -16.454
   33    HB2  SER   4           HB2      SER   4  -2.110  -5.650 -18.673
   34    HB3  SER   4           HB1      SER   4  -3.554  -6.524 -17.968
   35    HG   SER   4           HG1      SER   4  -4.687  -4.982 -18.813
   36    HA   PRO   5           HA       PRO   5  -5.893  -6.549 -14.666
   37    HB2  PRO   5           HB2      PRO   5  -5.768  -9.078 -13.767
   38    HB3  PRO   5           HB1      PRO   5  -5.915  -8.837 -15.457
   39    HG2  PRO   5           HG2      PRO   5  -3.464  -9.330 -13.789
   40    HG3  PRO   5           HG1      PRO   5  -3.640 -10.001 -15.364
   41    HD2  PRO   5           HD2      PRO   5  -2.003  -7.845 -15.048
   42    HD3  PRO   5           HD1      PRO   5  -2.830  -8.344 -16.593
   43    H    ASP   6           HN       ASP   6  -2.995  -6.212 -13.092
   44    HA   ASP   6           HA       ASP   6  -4.101  -6.853 -10.509
   45    HB2  ASP   6           HB2      ASP   6  -1.158  -6.812 -11.550
   46    HB3  ASP   6           HB1      ASP   6  -1.566  -7.026  -9.801
   47    H    LYS   7           HN       LYS   7  -3.919  -4.103 -12.186
   48    HA   LYS   7           HA       LYS   7  -2.206  -2.508 -10.749
   49    HB2  LYS   7           HB2      LYS   7  -4.505  -1.897 -12.795
   50    HB3  LYS   7           HB1      LYS   7  -3.544  -0.677 -12.061
   51    HG2  LYS   7           HG2      LYS   7  -1.381  -1.927 -12.852
   52    HG3  LYS   7           HG1      LYS   7  -2.491  -2.905 -13.866
   53    HD2  LYS   7           HD2      LYS   7  -3.367  -0.814 -14.896
   54    HD3  LYS   7           HD1      LYS   7  -2.022   0.154 -14.077
   55    HE2  LYS   7           HE2      LYS   7  -0.462  -1.167 -15.032
   56    HE3  LYS   7           HE1      LYS   7  -1.640  -2.089 -16.190
   57    HZ1  LYS   7           HZ1      LYS   7  -1.058   0.890 -16.030
   58    HZ2  LYS   7           HZ2      LYS   7  -2.257   0.173 -16.935
   59    HZ3  LYS   7           HZ3      LYS   7  -0.625  -0.184 -17.266
   60    H    ILE   8           HN       ILE   8  -5.750  -2.921 -10.237
   61    HA   ILE   8           HA       ILE   8  -5.779  -0.704  -8.436
   62    HB   ILE   8           HB       ILE   8  -7.882  -2.861  -8.956
   63   HG12  ILE   8          HG12      ILE   8  -7.834   0.043  -9.983
   64   HG13  ILE   8          HG11      ILE   8  -7.262  -1.290 -10.956
   65   HG21  ILE   8          HG21      ILE   8  -9.353  -1.123  -7.864
   66   HG22  ILE   8          HG22      ILE   8  -7.856  -0.176  -7.684
   67   HG23  ILE   8          HG23      ILE   8  -8.110  -1.767  -6.736
   68   HD11  ILE   8          HD3       ILE   8  -9.920  -2.195 -10.101
   69   HD12  ILE   8          HD1       ILE   8  -9.931  -0.462 -10.167
   70   HD13  ILE   8          HD2       ILE   8  -9.516  -1.457 -11.662
   71    H    ILE   9           HN       ILE   9  -5.392  -4.165  -8.233
   72    HA   ILE   9           HA       ILE   9  -5.914  -4.389  -5.308
   73    HB   ILE   9           HB       ILE   9  -5.049  -6.557  -5.417
   74   HG12  ILE   9          HG12      ILE   9  -5.373  -6.134  -8.461
   75   HG13  ILE   9          HG11      ILE   9  -3.793  -6.270  -7.656
   76   HG21  ILE   9          HG21      ILE   9  -7.137  -7.433  -6.048
   77   HG22  ILE   9          HG22      ILE   9  -7.517  -6.163  -7.312
   78   HG23  ILE   9          HG23      ILE   9  -7.547  -5.910  -5.467
   79   HD11  ILE   9          HD3       ILE   9  -4.251  -8.604  -6.835
   80   HD12  ILE   9          HD1       ILE   9  -5.711  -8.641  -7.803
   81   HD13  ILE   9          HD2       ILE   9  -4.112  -8.413  -8.617
   82    H    ALA  10           HN       ALA  10  -2.935  -4.256  -7.233
   83    HA   ALA  10           HA       ALA  10  -1.238  -4.159  -5.185
   84    HB1  ALA  10           HB1      ALA  10  -1.239  -2.923  -8.006
   85    HB2  ALA  10           HB2      ALA  10  -0.694  -4.584  -7.616
   86    HB3  ALA  10           HB3      ALA  10   0.291  -3.146  -7.033
   87    H    LEU  11           HN       LEU  11  -2.803  -1.354  -6.785
   88    HA   LEU  11           HA       LEU  11  -1.618   0.646  -5.359
   89    HB2  LEU  11           HB2      LEU  11  -2.926   0.803  -7.426
   90    HB3  LEU  11           HB1      LEU  11  -4.421   0.473  -6.407
   91    HG   LEU  11           HG       LEU  11  -4.286   2.710  -5.448
   92   HD11  LEU  11          HD11      LEU  11  -1.607   3.333  -6.766
   93   HD12  LEU  11          HD12      LEU  11  -1.806   2.976  -5.010
   94   HD13  LEU  11          HD13      LEU  11  -2.688   4.352  -5.732
   95   HD21  LEU  11          HD21      LEU  11  -3.691   2.959  -8.471
   96   HD22  LEU  11          HD22      LEU  11  -4.236   4.267  -7.360
   97   HD23  LEU  11          HD23      LEU  11  -5.332   2.933  -7.668
   98    H    ILE  12           HN       ILE  12  -4.398  -1.299  -4.661
   99    HA   ILE  12           HA       ILE  12  -5.048  -0.198  -2.048
  100    HB   ILE  12           HB       ILE  12  -5.566  -2.983  -3.369
  101   HG12  ILE  12          HG12      ILE  12  -7.478  -0.881  -2.285
  102   HG13  ILE  12          HG11      ILE  12  -6.889  -0.848  -3.968
  103   HG21  ILE  12          HG21      ILE  12  -6.942  -3.315  -1.229
  104   HG22  ILE  12          HG22      ILE  12  -5.958  -1.975  -0.593
  105   HG23  ILE  12          HG23      ILE  12  -5.170  -3.629  -0.981
  106   HD11  ILE  12          HD3       ILE  12  -7.876  -2.980  -4.575
  107   HD12  ILE  12          HD1       ILE  12  -8.109  -3.431  -2.938
  108   HD13  ILE  12          HD2       ILE  12  -9.114  -2.078  -3.697
  109    H    PHE  13           HN       PHE  13  -2.678  -2.994  -2.909
  110    HA   PHE  13           HA       PHE  13  -2.014  -3.449  -0.316
  111    HB2  PHE  13           HB2      PHE  13  -1.837  -4.881  -2.325
  112    HB3  PHE  13           HB1      PHE  13  -0.428  -3.994  -2.913
  113    HD1  PHE  13           HD1      PHE  13  -1.202  -5.208   0.691
  114    HD2  PHE  13           HD2      PHE  13   1.523  -5.167  -2.660
  115    HE1  PHE  13           HE1      PHE  13   0.580  -6.089   2.121
  116    HE2  PHE  13           HE2      PHE  13   3.375  -5.813  -1.100
  117    HZ   PHE  13           HZ       PHE  13   2.917  -6.246   1.200
  118    H    LEU  14           HN       LEU  14  -0.679  -1.124  -2.527
  119    HA   LEU  14           HA       LEU  14   1.511  -0.223  -0.961
  120    HB2  LEU  14           HB2      LEU  14   1.260   0.096  -3.313
  121    HB3  LEU  14           HB1      LEU  14  -0.182   1.049  -3.264
  122    HG   LEU  14           HG       LEU  14   1.088   2.883  -2.001
  123   HD11  LEU  14          HD11      LEU  14   3.392   0.958  -2.477
  124   HD12  LEU  14          HD12      LEU  14   2.813   1.701  -0.943
  125   HD13  LEU  14          HD13      LEU  14   3.582   2.741  -2.225
  126   HD21  LEU  14          HD21      LEU  14   2.354   3.610  -4.057
  127   HD22  LEU  14          HD22      LEU  14   0.764   2.816  -4.594
  128   HD23  LEU  14          HD23      LEU  14   2.325   1.976  -4.686
  129    H    LEU  15           HN       LEU  15  -1.850   1.183  -1.306
  130    HA   LEU  15           HA       LEU  15  -1.344   3.281   0.421
  131    HB2  LEU  15           HB2      LEU  15  -3.774   2.171  -1.008
  132    HB3  LEU  15           HB1      LEU  15  -4.072   3.526   0.262
  133    HG   LEU  15           HG       LEU  15  -2.054   3.534  -2.065
  134   HD11  LEU  15          HD11      LEU  15  -3.758   4.586  -3.485
  135   HD12  LEU  15          HD12      LEU  15  -5.081   4.315  -2.383
  136   HD13  LEU  15          HD13      LEU  15  -4.138   2.912  -3.006
  137   HD21  LEU  15          HD21      LEU  15  -1.912   5.218  -0.156
  138   HD22  LEU  15          HD22      LEU  15  -3.517   5.875  -0.807
  139   HD23  LEU  15          HD23      LEU  15  -2.028   5.836  -1.774
  140    H    ILE  16           HN       ILE  16  -2.796  -0.001   1.182
  141    HA   ILE  16           HA       ILE  16  -3.027   0.744   3.929
  142    HB   ILE  16           HB       ILE  16  -2.982  -2.133   3.065
  143   HG12  ILE  16          HG12      ILE  16  -5.503  -0.221   2.795
  144   HG13  ILE  16          HG11      ILE  16  -4.762  -1.325   1.545
  145   HG21  ILE  16          HG21      ILE  16  -4.149  -0.554   5.351
  146   HG22  ILE  16          HG22      ILE  16  -2.735  -1.384   5.575
  147   HG23  ILE  16          HG23      ILE  16  -4.183  -2.354   5.246
  148   HD11  ILE  16          HD3       ILE  16  -6.794  -2.369   2.225
  149   HD12  ILE  16          HD1       ILE  16  -5.388  -3.345   2.655
  150   HD13  ILE  16          HD2       ILE  16  -6.208  -2.331   3.944
  151    H    SER  17           HN       SER  17  -0.459  -0.721   2.098
  152    HA   SER  17           HA       SER  17   1.171  -1.219   4.315
  153    HB2  SER  17           HB2      SER  17   2.018  -0.427   1.507
  154    HB3  SER  17           HB1      SER  17   3.271  -0.896   2.714
  155    HG   SER  17           HG1      SER  17   1.359  -2.333   1.506
  156    H    LEU  18           HN       LEU  18   0.843   1.755   2.269
  157    HA   LEU  18           HA       LEU  18   2.709   3.309   3.513
  158    HB2  LEU  18           HB2      LEU  18   1.700   3.649   1.455
  159    HB3  LEU  18           HB1      LEU  18   0.099   4.181   2.085
  160    HG   LEU  18           HG       LEU  18   1.073   5.947   3.309
  161   HD11  LEU  18          HD11      LEU  18   3.407   5.300   3.596
  162   HD12  LEU  18          HD12      LEU  18   3.463   6.723   2.338
  163   HD13  LEU  18          HD13      LEU  18   3.557   4.938   1.938
  164   HD21  LEU  18          HD21      LEU  18   1.591   5.946   0.301
  165   HD22  LEU  18          HD22      LEU  18   1.565   7.448   1.324
  166   HD23  LEU  18          HD23      LEU  18   0.018   6.435   1.054
  167    H    LEU  19           HN       LEU  19  -0.807   3.250   4.321
  168    HA   LEU  19           HA       LEU  19  -1.051   4.784   6.444
  169    HB2  LEU  19           HB2      LEU  19  -2.923   3.742   5.118
  170    HB3  LEU  19           HB1      LEU  19  -2.457   2.167   5.936
  171    HG   LEU  19           HG       LEU  19  -3.370   2.920   8.116
  172   HD11  LEU  19          HD11      LEU  19  -2.421   5.363   7.964
  173   HD12  LEU  19          HD12      LEU  19  -4.207   5.279   8.474
  174   HD13  LEU  19          HD13      LEU  19  -3.760   5.723   6.883
  175   HD21  LEU  19          HD21      LEU  19  -4.845   2.070   6.346
  176   HD22  LEU  19          HD22      LEU  19  -5.308   3.755   5.898
  177   HD23  LEU  19          HD23      LEU  19  -5.687   3.084   7.575
  178    H    VAL  20           HN       VAL  20  -0.288   1.201   6.581
  179    HA   VAL  20           HA       VAL  20   0.366   0.925   9.299
  180    HB   VAL  20           HB       VAL  20   1.378  -0.330   6.789
  181   HG11  VAL  20          HG11      VAL  20   1.722  -0.960   9.793
  182   HG12  VAL  20          HG12      VAL  20   3.113  -0.737   8.671
  183   HG13  VAL  20          HG13      VAL  20   2.047  -2.156   8.507
  184   HG21  VAL  20          HG21      VAL  20  -1.139  -0.669   7.320
  185   HG22  VAL  20          HG22      VAL  20  -0.803  -1.125   8.915
  186   HG23  VAL  20          HG23      VAL  20  -0.324  -2.255   7.623
  187    H    LEU  21           HN       LEU  21   2.719   1.991   6.579
  188    HA   LEU  21           HA       LEU  21   4.806   2.342   8.357
  189    HB2  LEU  21           HB2      LEU  21   4.979   2.220   5.811
  190    HB3  LEU  21           HB1      LEU  21   4.028   3.729   5.732
  191    HG   LEU  21           HG       LEU  21   5.912   5.053   6.568
  192   HD11  LEU  21          HD11      LEU  21   7.235   3.540   8.152
  193   HD12  LEU  21          HD12      LEU  21   8.305   3.922   6.804
  194   HD13  LEU  21          HD13      LEU  21   7.365   2.359   6.943
  195   HD21  LEU  21          HD21      LEU  21   5.768   4.507   3.907
  196   HD22  LEU  21          HD22      LEU  21   6.636   3.044   4.405
  197   HD23  LEU  21          HD23      LEU  21   7.416   4.672   4.421
  198    H    CYS  22           HN       CYS  22   2.440   4.949   7.285
  199    HA   CYS  22           HA       CYS  22   3.579   6.787   8.691
  200    HB2  CYS  22           HB2      CYS  22   0.678   6.451   8.051
  201    HB3  CYS  22           HB1      CYS  22   1.334   8.020   8.758
  202    HG   CYS  22           HG1      CYS  22   1.995   6.260   6.127
  203    H    LEU  23           HN       LEU  23   1.079   4.547   9.983
  204    HA   LEU  23           HA       LEU  23   0.936   5.760  12.361
  205    HB2  LEU  23           HB2      LEU  23   0.299   2.816  11.647
  206    HB3  LEU  23           HB1      LEU  23  -0.219   3.522  13.064
  207    HG   LEU  23           HG       LEU  23  -1.077   4.728  10.408
  208   HD11  LEU  23          HD11      LEU  23  -3.115   3.562  10.227
  209   HD12  LEU  23          HD12      LEU  23  -2.641   2.349  11.556
  210   HD13  LEU  23          HD13      LEU  23  -1.875   2.448   9.957
  211   HD21  LEU  23          HD21      LEU  23  -2.464   4.732  13.129
  212   HD22  LEU  23          HD22      LEU  23  -3.050   5.544  11.674
  213   HD23  LEU  23          HD23      LEU  23  -1.539   6.038  12.685
  214    H    ALA  24           HN       ALA  24   2.984   3.061  11.326
  215    HA   ALA  24           HA       ALA  24   4.195   2.517  13.950
  216    HB1  ALA  24           HB1      ALA  24   5.250   2.027  10.966
  217    HB2  ALA  24           HB2      ALA  24   4.114   0.964  11.774
  218    HB3  ALA  24           HB3      ALA  24   5.820   1.430  12.510
  219    H    LEU  25           HN       LEU  25   4.984   4.821  11.404
  220    HA   LEU  25           HA       LEU  25   7.344   5.747  12.826
  221    HB2  LEU  25           HB2      LEU  25   5.572   6.835  10.594
  222    HB3  LEU  25           HB1      LEU  25   7.004   7.748  11.211
  223    HG   LEU  25           HG       LEU  25   7.257   5.115   9.728
  224   HD11  LEU  25          HD11      LEU  25   8.035   6.445   7.918
  225   HD12  LEU  25          HD12      LEU  25   7.846   7.944   8.847
  226   HD13  LEU  25          HD13      LEU  25   6.393   7.119   8.469
  227   HD21  LEU  25          HD21      LEU  25   8.960   5.174  11.273
  228   HD22  LEU  25          HD22      LEU  25   9.230   7.005  11.272
  229   HD23  LEU  25          HD23      LEU  25   9.721   5.870   9.825
  230    H    TRP  26           HN       TRP  26   3.871   6.903  12.836
  231    HA   TRP  26           HA       TRP  26   4.580   9.191  14.275
  232    HB2  TRP  26           HB2      TRP  26   2.375   8.581  12.816
  233    HB3  TRP  26           HB1      TRP  26   2.100   7.412  14.063
  234    HD1  TRP  26           HD1      TRP  26   3.000  10.985  15.497
  235    HE1  TRP  26           HE1      TRP  26   0.778  12.071  16.119
  236    HE3  TRP  26           HE3      TRP  26  -0.281   7.498  13.736
  237    HZ2  TRP  26           HZ2      TRP  26  -1.946  11.632  15.873
  238    HZ3  TRP  26           HZ3      TRP  26  -2.783   7.974  13.973
  239    HH2  TRP  26           HH2      TRP  26  -3.495   9.823  15.212
  240    H    GLN  27           HN       GLN  27   3.254   5.979  15.406
  241    HA   GLN  27           HA       GLN  27   3.940   6.690  18.090
  242    HB2  GLN  27           HB2      GLN  27   1.498   6.165  18.811
  243    HB3  GLN  27           HB1      GLN  27   1.722   7.597  17.837
  244    HG2  GLN  27           HG2      GLN  27   0.744   6.543  15.883
  245    HG3  GLN  27           HG1      GLN  27   0.794   4.873  16.640
  246   HE21  GLN  27          HE21      GLN  27  -1.359   6.785  15.690
  247   HE22  GLN  27          HE22      GLN  27  -2.597   6.470  16.935
  248    H    ILE  28           HN       ILE  28   3.436   4.766  19.602
  249    HA   ILE  28           HA       ILE  28   3.650   2.714  20.302
  250    HB   ILE  28           HB       ILE  28   2.391   1.672  17.908
  251   HG12  ILE  28          HG12      ILE  28   1.074   2.754  20.411
  252   HG13  ILE  28          HG11      ILE  28   1.247   3.569  18.780
  253   HG21  ILE  28          HG21      ILE  28   1.783  -0.093  19.366
  254   HG22  ILE  28          HG22      ILE  28   2.446   0.628  20.803
  255   HG23  ILE  28          HG23      ILE  28   3.614   0.074  19.613
  256   HD11  ILE  28          HD3       ILE  28  -0.916   2.392  19.198
  257   HD12  ILE  28          HD1       ILE  28   0.027   1.836  17.731
  258   HD13  ILE  28          HD2       ILE  28  -0.050   0.869  19.317
  259    H    VAL  29           HN       VAL  29   5.575   2.490  20.806
  260    HA   VAL  29           HA       VAL  29   7.560   1.742  18.898
  261    HB   VAL  29           HB       VAL  29   7.842   1.950  21.902
  262   HG11  VAL  29          HG11      VAL  29   9.785   0.792  20.889
  263   HG12  VAL  29          HG12      VAL  29  10.299   2.528  21.293
  264   HG13  VAL  29          HG13      VAL  29   9.926   1.936  19.664
  265   HG21  VAL  29          HG21      VAL  29   7.227   4.175  21.266
  266   HG22  VAL  29          HG22      VAL  29   8.049   4.092  19.668
  267   HG23  VAL  29          HG23      VAL  29   9.058   4.181  21.115
  268    H    PHE  30           HN       PHE  30   8.374  -0.313  18.652
  269    HA   PHE  30           HA       PHE  30   7.150  -2.584  20.059
  270    HB2  PHE  30           HB2      PHE  30   8.617  -2.419  17.434
  271    HB3  PHE  30           HB1      PHE  30   7.738  -3.789  18.221
  272    HD1  PHE  30           HD1      PHE  30   5.005  -2.787  18.880
  273    HD2  PHE  30           HD2      PHE  30   7.529  -1.136  15.736
  274    HE1  PHE  30           HE1      PHE  30   3.042  -2.050  17.682
  275    HE2  PHE  30           HE2      PHE  30   5.564  -0.210  14.705
  276    HZ   PHE  30           HZ       PHE  30   3.315  -0.814  15.475