NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1742 1awx cing 1-original 7 MR format nomenclature mapping



  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1           HT3      GLY   1  51.540  19.511  19.511
    2   2H    GLY   1           HT2      GLY   1  52.088  20.391  20.391
    3   3H    GLY   1           HT1      GLY   1  52.727  20.705  20.705
    4   1HA   GLY   1           HA2      GLY   1  50.605  21.530  21.530
    5   2HA   GLY   1           HA1      GLY   1  51.141  22.417  22.417
    6    H    SER   2           HN       SER   2  50.120  21.962  21.962
    7    HA   SER   2           HA       SER   2  47.542  20.437  20.437
    8   1HB   SER   2           HB2      SER   2  46.631  22.227  22.227
    9   2HB   SER   2           HB1      SER   2  47.201  22.862  22.862
   10    HG   SER   2           HG       SER   2  48.203  23.186  23.186
   11    H    MET   3           HN       MET   3  46.693  20.063  20.063
   12    HA   MET   3           HA       MET   3  47.018  18.873  18.873
   13   1HB   MET   3           HB2      MET   3  49.028  21.060  21.060
   14   2HB   MET   3           HB1      MET   3  49.300  19.845  19.845
   15   1HG   MET   3           HG2      MET   3  46.802  20.182  20.182
   16   2HG   MET   3           HG1      MET   3  46.919  21.661  21.661
   17   1HE   MET   3           HE1      MET   3  48.617  23.126  23.126
   18   2HE   MET   3           HE3      MET   3  50.016  23.146  23.146
   19   3HE   MET   3           HE2      MET   3  48.591  24.110  24.110
   20    H    SER   4           HN       SER   4  47.418  16.787  16.787
   21    HA   SER   4           HA       SER   4  49.953  15.900  15.900
   22   1HB   SER   4           HB2      SER   4  47.843  14.763  14.763
   23   2HB   SER   4           HB1      SER   4  47.607  14.448  14.448
   24    HG   SER   4           HG       SER   4  49.658  13.445  13.445
   25    H    THR   5           HN       THR   5  48.731  16.275  16.275
   26    HA   THR   5           HA       THR   5  50.340  14.449  14.449
   27    HB   THR   5           HB       THR   5  50.068  16.267  16.267
   28    HG1  THR   5           HG1      THR   5  49.182  18.099  18.099
   29   1HG2  THR   5          HG23      THR   5  48.418  14.351  14.351
   30   2HG2  THR   5          HG22      THR   5  47.446  15.704  15.704
   31   3HG2  THR   5          HG21      THR   5  47.875  15.594  15.594
   32    H    SER   6           HN       SER   6  51.227  17.439  17.439
   33    HA   SER   6           HA       SER   6  53.607  18.122  18.122
   34   1HB   SER   6           HB2      SER   6  52.708  19.649  19.649
   35   2HB   SER   6           HB1      SER   6  52.631  18.423  18.423
   36    HG   SER   6           HG       SER   6  54.866  19.783  19.783
   37    H    GLU   7           HN       GLU   7  53.636  16.625  16.625
   38    HA   GLU   7           HA       GLU   7  56.172  15.235  15.235
   39   1HB   GLU   7           HB2      GLU   7  54.695  16.118  16.118
   40   2HB   GLU   7           HB1      GLU   7  55.787  14.742  14.742
   41   1HG   GLU   7           HG2      GLU   7  56.684  17.268  17.268
   42   2HG   GLU   7           HG1      GLU   7  56.763  17.118  17.118
   43    H    LEU   8           HN       LEU   8  54.615  13.831  13.831
   44    HA   LEU   8           HA       LEU   8  54.155  11.296  11.296
   45   1HB   LEU   8           HB2      LEU   8  52.129  12.734  12.734
   46   2HB   LEU   8           HB1      LEU   8  51.857  12.772  12.772
   47    HG   LEU   8           HG       LEU   8  52.100  10.114  10.114
   48   1HD1  LEU   8          HD11      LEU   8  52.388  10.659  10.659
   49   2HD1  LEU   8          HD13      LEU   8  50.639  10.887  10.887
   50   3HD1  LEU   8          HD12      LEU   8  51.331   9.327   9.327
   51   1HD2  LEU   8          HD22      LEU   8  49.793  12.003  12.003
   52   2HD2  LEU   8          HD21      LEU   8  50.145  10.749  10.749
   53   3HD2  LEU   8          HD23      LEU   8  49.473  10.311  10.311
   54    H    LYS   9           HN       LYS   9  55.104   9.915   9.915
   55    HA   LYS   9           HA       LYS   9  54.419  10.214  10.214
   56   1HB   LYS   9           HB2      LYS   9  56.995  10.195  10.195
   57   2HB   LYS   9           HB1      LYS   9  56.947   9.133   9.133
   58   1HG   LYS   9           HG2      LYS   9  56.687  10.878  10.878
   59   2HG   LYS   9           HG1      LYS   9  55.824  11.880  11.880
   60   1HD   LYS   9           HD2      LYS   9  57.844  12.467  12.467
   61   2HD   LYS   9           HD1      LYS   9  58.764  11.228  11.228
   62   1HE   LYS   9           HE2      LYS   9  59.000  12.522  12.522
   63   2HE   LYS   9           HE1      LYS   9  57.384  13.236  13.236
   64   1HZ   LYS   9           HZ1      LYS   9  59.685  13.815  13.815
   65   2HZ   LYS   9           HZ3      LYS   9  59.180  14.824  14.824
   66   3HZ   LYS   9           HZ2      LYS   9  58.151  14.544  14.544
   67    H    LYS  10           HN       LYS  10  55.671   7.952   7.952
   68    HA   LYS  10           HA       LYS  10  54.099   5.777   5.777
   69   1HB   LYS  10           HB2      LYS  10  55.304   6.301   6.301
   70   2HB   LYS  10           HB1      LYS  10  54.773   4.680   4.680
   71   1HG   LYS  10           HG2      LYS  10  52.771   5.414   5.414
   72   2HG   LYS  10           HG1      LYS  10  52.606   6.105   6.105
   73   1HD   LYS  10           HD2      LYS  10  52.150   7.927   7.927
   74   2HD   LYS  10           HD1      LYS  10  53.841   8.164   8.164
   75   1HE   LYS  10           HE2      LYS  10  54.625   7.361   7.361
   76   2HE   LYS  10           HE1      LYS  10  53.053   6.639   6.639
   77   1HZ   LYS  10           HZ3      LYS  10  52.102   8.918   8.918
   78   2HZ   LYS  10           HZ2      LYS  10  53.684   9.527   9.527
   79   3HZ   LYS  10           HZ1      LYS  10  53.182   8.719   8.719
   80    H    VAL  11           HN       VAL  11  55.402   3.530   3.530
   81    HA   VAL  11           HA       VAL  11  58.284   3.739   3.739
   82    HB   VAL  11           HB       VAL  11  57.950   2.184   2.184
   83   1HG1  VAL  11          HG11      VAL  11  58.316   4.670   4.670
   84   2HG1  VAL  11          HG13      VAL  11  56.569   4.860   4.860
   85   3HG1  VAL  11          HG12      VAL  11  57.441   3.974   3.974
   86   1HG2  VAL  11          HG23      VAL  11  55.579   1.568   1.568
   87   2HG2  VAL  11          HG22      VAL  11  55.787   1.891   1.891
   88   3HG2  VAL  11          HG21      VAL  11  55.076   3.119   3.119
   89    H    VAL  12           HN       VAL  12  59.371   1.657   1.657
   90    HA   VAL  12           HA       VAL  12  57.941  -0.103  -0.103
   91    HB   VAL  12           HB       VAL  12  60.638   0.934   0.934
   92   1HG1  VAL  12          HG11      VAL  12  61.035  -1.461  -1.461
   93   2HG1  VAL  12          HG13      VAL  12  60.564  -1.938  -1.938
   94   3HG1  VAL  12          HG12      VAL  12  61.983  -0.924  -0.924
   95   1HG2  VAL  12          HG21      VAL  12  59.141   1.167   1.167
   96   2HG2  VAL  12          HG23      VAL  12  60.829   0.775   0.775
   97   3HG2  VAL  12          HG22      VAL  12  59.602  -0.488  -0.488
   98    H    ALA  13           HN       ALA  13  58.851  -2.548  -2.548
   99    HA   ALA  13           HA       ALA  13  58.579  -3.275  -3.275
  100   1HB   ALA  13           HB3      ALA  13  56.674  -3.684  -3.684
  101   2HB   ALA  13           HB2      ALA  13  57.696  -5.033  -5.033
  102   3HB   ALA  13           HB1      ALA  13  57.072  -4.954  -4.954
  103    H    LEU  14           HN       LEU  14  60.216  -4.592  -4.592
  104    HA   LEU  14           HA       LEU  14  62.326  -5.445  -5.445
  105   1HB   LEU  14           HB2      LEU  14  62.051  -5.425  -5.425
  106   2HB   LEU  14           HB1      LEU  14  63.506  -5.943  -5.943
  107    HG   LEU  14           HG       LEU  14  62.264  -3.252  -3.252
  108   1HD1  LEU  14          HD11      LEU  14  63.774  -4.143  -4.143
  109   2HD1  LEU  14          HD13      LEU  14  64.370  -2.666  -2.666
  110   3HD1  LEU  14          HD12      LEU  14  62.699  -2.760  -2.760
  111   1HD2  LEU  14          HD21      LEU  14  65.019  -4.479  -4.479
  112   2HD2  LEU  14          HD23      LEU  14  63.919  -3.979  -3.979
  113   3HD2  LEU  14          HD22      LEU  14  64.683  -2.767  -2.767
  114    H    TYR  15           HN       TYR  15  60.954  -7.085  -7.085
  115    HA   TYR  15           HA       TYR  15  61.098  -9.667  -9.667
  116   1HB   TYR  15           HB2      TYR  15  60.812  -8.995  -8.995
  117   2HB   TYR  15           HB1      TYR  15  60.988 -10.622 -10.622
  118    HD1  TYR  15           HD1      TYR  15  63.064 -11.037 -11.037
  119    HD2  TYR  15           HD2      TYR  15  62.726  -7.763  -7.763
  120    HE1  TYR  15           HE1      TYR  15  65.530 -10.769 -10.769
  121    HE2  TYR  15           HE2      TYR  15  65.191  -7.494  -7.494
  122    HH   TYR  15           HH       TYR  15  67.132  -8.477  -8.477
  123    H    ASP  16           HN       ASP  16  59.290 -11.246 -11.246
  124    HA   ASP  16           HA       ASP  16  56.703 -10.030 -10.030
  125   1HB   ASP  16           HB2      ASP  16  57.856 -12.768 -12.768
  126   2HB   ASP  16           HB1      ASP  16  56.102 -12.576 -12.576
  127    H    TYR  17           HN       TYR  17  54.797 -10.253 -10.253
  128    HA   TYR  17           HA       TYR  17  54.997 -11.119 -11.119
  129   1HB   TYR  17           HB2      TYR  17  56.237  -9.113  -9.113
  130   2HB   TYR  17           HB1      TYR  17  55.226  -8.215  -8.215
  131    HD1  TYR  17           HD1      TYR  17  54.151 -10.430 -10.430
  132    HD2  TYR  17           HD2      TYR  17  54.420  -6.426  -6.426
  133    HE1  TYR  17           HE1      TYR  17  52.760  -9.613  -9.613
  134    HE2  TYR  17           HE2      TYR  17  53.028  -5.610  -5.610
  135    HH   TYR  17           HH       TYR  17  52.542  -7.197  -7.197
  136    H    MET  18           HN       MET  18  53.064 -12.253 -12.253
  137    HA   MET  18           HA       MET  18  50.736 -10.864 -10.864
  138   1HB   MET  18           HB2      MET  18  51.372 -13.619 -13.619
  139   2HB   MET  18           HB1      MET  18  49.730 -13.180 -13.180
  140   1HG   MET  18           HG2      MET  18  50.870 -12.344 -12.344
  141   2HG   MET  18           HG1      MET  18  52.191 -13.403 -13.403
  142   1HE   MET  18           HE2      MET  18  52.141 -15.794 -15.794
  143   2HE   MET  18           HE1      MET  18  50.831 -15.782 -15.782
  144   3HE   MET  18           HE3      MET  18  50.774 -16.888 -16.888
  145    HA   PRO  19           HA       PRO  19  48.780  -9.616  -9.616
  146   1HB   PRO  19           HB2      PRO  19  46.167 -10.620 -10.620
  147   2HB   PRO  19           HB1      PRO  19  46.774  -8.969  -8.969
  148   1HG   PRO  19           HG2      PRO  19  46.171 -10.767 -10.767
  149   2HG   PRO  19           HG1      PRO  19  46.966  -9.196  -9.196
  150   1HD   PRO  19           HD2      PRO  19  48.128 -11.875 -11.875
  151   2HD   PRO  19           HD1      PRO  19  48.836 -10.302 -10.302
  152    H    MET  20           HN       MET  20  47.597 -10.461 -10.461
  153    HA   MET  20           HA       MET  20  47.897 -13.435 -13.435
  154   1HB   MET  20           HB2      MET  20  48.060 -11.190 -11.190
  155   2HB   MET  20           HB1      MET  20  48.329 -12.900 -12.900
  156   1HG   MET  20           HG2      MET  20  50.073 -12.623 -12.623
  157   2HG   MET  20           HG1      MET  20  50.068 -10.953 -10.953
  158   1HE   MET  20           HE3      MET  20  51.990 -13.186 -13.186
  159   2HE   MET  20           HE2      MET  20  53.184 -12.628 -12.628
  160   3HE   MET  20           HE1      MET  20  52.435 -14.210 -14.210
  161    H    ASN  21           HN       ASN  21  46.017 -10.624 -10.624
  162    HA   ASN  21           HA       ASN  21  43.632 -12.421 -12.421
  163   1HB   ASN  21           HB2      ASN  21  44.876 -10.331 -10.331
  164   2HB   ASN  21           HB1      ASN  21  43.121 -10.509 -10.509
  165   1HD2  ASN  21          HD22      ASN  21  44.910 -12.911 -12.911
  166   2HD2  ASN  21          HD21      ASN  21  45.180 -11.262 -11.262
  167    H    ALA  22           HN       ALA  22  44.540  -8.976  -8.976
  168    HA   ALA  22           HA       ALA  22  42.893  -8.516  -8.516
  169   1HB   ALA  22           HB1      ALA  22  41.837  -8.109  -8.109
  170   2HB   ALA  22           HB3      ALA  22  41.450  -6.865  -6.865
  171   3HB   ALA  22           HB2      ALA  22  40.973  -8.538  -8.538
  172    H    ASN  23           HN       ASN  23  44.379  -7.069  -7.069
  173    HA   ASN  23           HA       ASN  23  44.736  -4.413  -4.413
  174   1HB   ASN  23           HB2      ASN  23  45.976  -6.232  -6.232
  175   2HB   ASN  23           HB1      ASN  23  46.889  -4.776  -4.776
  176   1HD2  ASN  23          HD22      ASN  23  44.010  -4.390  -4.390
  177   2HD2  ASN  23          HD21      ASN  23  44.913  -5.793  -5.793
  178    H    ASP  24           HN       ASP  24  47.180  -6.975  -6.975
  179    HA   ASP  24           HA       ASP  24  49.270  -5.756  -5.756
  180   1HB   ASP  24           HB2      ASP  24  48.266  -8.606  -8.606
  181   2HB   ASP  24           HB1      ASP  24  49.868  -8.115  -8.115
  182    H    LEU  25           HN       LEU  25  49.851  -5.253  -5.253
  183    HA   LEU  25           HA       LEU  25  47.739  -5.465  -5.465
  184   1HB   LEU  25           HB2      LEU  25  48.995  -3.327  -3.327
  185   2HB   LEU  25           HB1      LEU  25  50.412  -4.036  -4.036
  186    HG   LEU  25           HG       LEU  25  48.719  -4.419  -4.419
  187   1HD1  LEU  25          HD12      LEU  25  46.949  -3.276  -3.276
  188   2HD1  LEU  25          HD11      LEU  25  47.618  -1.807  -1.807
  189   3HD1  LEU  25          HD13      LEU  25  46.879  -3.031  -3.031
  190   1HD2  LEU  25          HD21      LEU  25  50.808  -2.756  -2.756
  191   2HD2  LEU  25          HD23      LEU  25  49.848  -2.715  -2.715
  192   3HD2  LEU  25          HD22      LEU  25  49.521  -1.564  -1.564
  193    H    GLN  26           HN       GLN  26  48.096  -6.597  -6.597
  194    HA   GLN  26           HA       GLN  26  50.003  -8.792  -8.792
  195   1HB   GLN  26           HB2      GLN  26  47.697  -8.814  -8.814
  196   2HB   GLN  26           HB1      GLN  26  48.284  -7.747  -7.747
  197   1HG   GLN  26           HG2      GLN  26  49.894  -9.416  -9.416
  198   2HG   GLN  26           HG1      GLN  26  49.470 -10.465 -10.465
  199   1HE2  GLN  26          HE22      GLN  26  47.511 -11.220 -11.220
  200   2HE2  GLN  26          HE21      GLN  26  49.141 -10.783 -10.783
  201    H    LEU  27           HN       LEU  27  52.058  -7.630  -7.630
  202    HA   LEU  27           HA       LEU  27  52.869  -5.898  -5.898
  203   1HB   LEU  27           HB2      LEU  27  53.981  -7.014  -7.014
  204   2HB   LEU  27           HB1      LEU  27  55.143  -6.478  -6.478
  205    HG   LEU  27           HG       LEU  27  53.336  -4.414  -4.414
  206   1HD1  LEU  27          HD13      LEU  27  52.586  -5.838  -5.838
  207   2HD1  LEU  27          HD12      LEU  27  53.691  -4.642  -4.642
  208   3HD1  LEU  27          HD11      LEU  27  52.286  -4.121  -4.121
  209   1HD2  LEU  27          HD21      LEU  27  55.941  -4.562  -4.562
  210   2HD2  LEU  27          HD23      LEU  27  55.088  -3.145  -3.145
  211   3HD2  LEU  27          HD22      LEU  27  55.575  -4.430  -4.430
  212    H    ARG  28           HN       ARG  28  55.369  -6.740  -6.740
  213    HA   ARG  28           HA       ARG  28  55.546  -9.558  -9.558
  214   1HB   ARG  28           HB2      ARG  28  53.789  -8.065  -8.065
  215   2HB   ARG  28           HB1      ARG  28  55.272  -7.921  -7.921
  216   1HG   ARG  28           HG2      ARG  28  55.509 -10.382 -10.382
  217   2HG   ARG  28           HG1      ARG  28  54.015 -10.521 -10.521
  218   1HD   ARG  28           HD2      ARG  28  52.689  -9.702  -9.702
  219   2HD   ARG  28           HD1      ARG  28  54.113  -9.099  -9.099
  220    HE   ARG  28           HE       ARG  28  54.733 -11.726 -11.726
  221   1HH1  ARG  28          HH21      ARG  28  51.695 -12.045 -12.045
  222   2HH1  ARG  28          HH22      ARG  28  51.167 -12.465 -12.465
  223   1HH2  ARG  28          HH11      ARG  28  54.105 -11.441 -11.441
  224   2HH2  ARG  28          HH12      ARG  28  52.531 -12.123 -12.123
  225    H    LYS  29           HN       LYS  29  57.106  -9.187  -9.187
  226    HA   LYS  29           HA       LYS  29  59.379  -7.573  -7.573
  227   1HB   LYS  29           HB2      LYS  29  59.757  -9.975  -9.975
  228   2HB   LYS  29           HB1      LYS  29  59.302 -10.215 -10.215
  229   1HG   LYS  29           HG2      LYS  29  61.283  -9.287  -9.287
  230   2HG   LYS  29           HG1      LYS  29  61.555  -8.340  -8.340
  231   1HD   LYS  29           HD2      LYS  29  62.421 -10.151 -10.151
  232   2HD   LYS  29           HD1      LYS  29  61.561 -11.333 -11.333
  233   1HE   LYS  29           HE2      LYS  29  63.171 -10.127 -10.127
  234   2HE   LYS  29           HE1      LYS  29  64.210 -10.111 -10.111
  235   1HZ   LYS  29           HZ2      LYS  29  62.702 -12.468 -12.468
  236   2HZ   LYS  29           HZ1      LYS  29  64.373 -12.226 -12.226
  237   3HZ   LYS  29           HZ3      LYS  29  63.714 -12.441 -12.441
  238    H    GLY  30           HN       GLY  30  59.815  -5.866  -5.866
  239   1HA   GLY  30           HA2      GLY  30  60.476  -4.878  -4.878
  240   2HA   GLY  30           HA1      GLY  30  59.650  -6.186  -6.186
  241    H    ASP  31           HN       ASP  31  57.281  -5.765  -5.765
  242    HA   ASP  31           HA       ASP  31  55.853  -3.874  -3.874
  243   1HB   ASP  31           HB2      ASP  31  55.069  -6.057  -6.057
  244   2HB   ASP  31           HB1      ASP  31  54.901  -5.030  -5.030
  245    H    GLU  32           HN       GLU  32  54.641  -1.996  -1.996
  246    HA   GLU  32           HA       GLU  32  56.112  -0.833  -0.833
  247   1HB   GLU  32           HB2      GLU  32  55.155   0.769   0.769
  248   2HB   GLU  32           HB1      GLU  32  56.300   1.260   1.260
  249   1HG   GLU  32           HG2      GLU  32  57.756   0.752   0.752
  250   2HG   GLU  32           HG1      GLU  32  57.663  -0.824  -0.824
  251    H    TYR  33           HN       TYR  33  54.756   0.863   0.863
  252    HA   TYR  33           HA       TYR  33  51.827   0.408   0.408
  253   1HB   TYR  33           HB2      TYR  33  53.216   0.736   0.736
  254   2HB   TYR  33           HB1      TYR  33  51.624   0.088   0.088
  255    HD1  TYR  33           HD1      TYR  33  51.501  -2.082  -2.082
  256    HD2  TYR  33           HD2      TYR  33  55.038  -0.705  -0.705
  257    HE1  TYR  33           HE1      TYR  33  52.479  -4.352  -4.352
  258    HE2  TYR  33           HE2      TYR  33  56.015  -2.975  -2.975
  259    HH   TYR  33           HH       TYR  33  55.074  -5.219  -5.219
  260    H    PHE  34           HN       PHE  34  50.823   2.028   2.028
  261    HA   PHE  34           HA       PHE  34  51.899   4.765   4.765
  262   1HB   PHE  34           HB2      PHE  34  49.185   3.517   3.517
  263   2HB   PHE  34           HB1      PHE  34  49.296   5.198   5.198
  264    HD1  PHE  34           HD1      PHE  34  50.163   2.841   2.841
  265    HD2  PHE  34           HD2      PHE  34  49.730   6.948   6.948
  266    HE1  PHE  34           HE1      PHE  34  50.412   3.547   3.547
  267    HE2  PHE  34           HE2      PHE  34  49.979   7.654   7.654
  268    HZ   PHE  34           HZ       PHE  34  50.320   5.954   5.954
  269    H    ILE  35           HN       ILE  35  52.540   5.789   5.789
  270    HA   ILE  35           HA       ILE  35  51.813   4.701   4.701
  271    HB   ILE  35           HB       ILE  35  53.570   7.019   7.019
  272   1HG1  ILE  35          HG12      ILE  35  54.354   4.907   4.907
  273   2HG1  ILE  35          HG11      ILE  35  55.442   5.427   5.427
  274   1HG2  ILE  35          HG22      ILE  35  53.228   5.524   5.524
  275   2HG2  ILE  35          HG21      ILE  35  54.643   6.517   6.517
  276   3HG2  ILE  35          HG23      ILE  35  53.042   7.254   7.254
  277   1HD1  ILE  35          HD11      ILE  35  53.640   3.896   3.896
  278   2HD1  ILE  35          HD13      ILE  35  53.715   3.043   3.043
  279   3HD1  ILE  35          HD12      ILE  35  55.187   3.311   3.311
  280    H    LEU  36           HN       LEU  36  50.328   5.576   5.576
  281    HA   LEU  36           HA       LEU  36  49.125   8.226   8.226
  282   1HB   LEU  36           HB2      LEU  36  48.062   5.699   5.699
  283   2HB   LEU  36           HB1      LEU  36  47.179   7.222   7.222
  284    HG   LEU  36           HG       LEU  36  47.729   7.165   7.165
  285   1HD1  LEU  36          HD13      LEU  36  47.415   4.272   4.272
  286   2HD1  LEU  36          HD12      LEU  36  47.361   4.846   4.846
  287   3HD1  LEU  36          HD11      LEU  36  48.853   4.981   4.981
  288   1HD2  LEU  36          HD23      LEU  36  45.506   7.308   7.308
  289   2HD2  LEU  36          HD22      LEU  36  45.439   6.632   6.632
  290   3HD2  LEU  36          HD21      LEU  36  45.417   5.561   5.561
  291    H    GLU  37           HN       GLU  37  50.731   6.351   6.351
  292    HA   GLU  37           HA       GLU  37  50.405   8.641   8.641
  293   1HB   GLU  37           HB2      GLU  37  49.458   6.089   6.089
  294   2HB   GLU  37           HB1      GLU  37  51.032   5.942   5.942
  295   1HG   GLU  37           HG2      GLU  37  50.452   7.311   7.311
  296   2HG   GLU  37           HG1      GLU  37  49.461   8.355   8.355
  297    H    GLU  38           HN       GLU  38  52.268   7.742   7.742
  298    HA   GLU  38           HA       GLU  38  54.826   6.939   6.939
  299   1HB   GLU  38           HB2      GLU  38  55.900   9.216   9.216
  300   2HB   GLU  38           HB1      GLU  38  54.711   9.007   9.007
  301   1HG   GLU  38           HG2      GLU  38  53.321  10.591  10.591
  302   2HG   GLU  38           HG1      GLU  38  53.594  10.068  10.068
  303    H    SER  39           HN       SER  39  53.174   6.499   6.499
  304    HA   SER  39           HA       SER  39  53.515   8.029   8.029
  305   1HB   SER  39           HB2      SER  39  53.351   5.034   5.034
  306   2HB   SER  39           HB1      SER  39  53.137   5.808   5.808
  307    HG   SER  39           HG       SER  39  51.324   5.437   5.437
  308    H    ASN  40           HN       ASN  40  54.773   6.708   6.708
  309    HA   ASN  40           HA       ASN  40  57.628   7.072   7.072
  310   1HB   ASN  40           HB2      ASN  40  56.046   6.534   6.534
  311   2HB   ASN  40           HB1      ASN  40  57.792   6.784   6.784
  312   1HD2  ASN  40          HD22      ASN  40  55.921  10.064  10.064
  313   2HD2  ASN  40          HD21      ASN  40  55.766   8.550   8.550
  314    H    LEU  41           HN       LEU  41  56.020   4.594   4.594
  315    HA   LEU  41           HA       LEU  41  57.931   2.608   2.608
  316   1HB   LEU  41           HB2      LEU  41  56.052   0.958   0.958
  317   2HB   LEU  41           HB1      LEU  41  55.779   2.296   2.296
  318    HG   LEU  41           HG       LEU  41  54.790   2.704   2.704
  319   1HD1  LEU  41          HD12      LEU  41  54.283   0.263   0.263
  320   2HD1  LEU  41          HD11      LEU  41  53.205   0.968   0.968
  321   3HD1  LEU  41          HD13      LEU  41  52.921   1.259   1.259
  322   1HD2  LEU  41          HD22      LEU  41  53.649   3.146   3.146
  323   2HD2  LEU  41          HD21      LEU  41  54.433   4.365   4.365
  324   3HD2  LEU  41          HD23      LEU  41  52.887   3.677   3.677
  325    HA   PRO  42           HA       PRO  42  58.941   1.369   1.369
  326   1HB   PRO  42           HB2      PRO  42  58.622  -1.456  -1.456
  327   2HB   PRO  42           HB1      PRO  42  60.117  -0.517  -0.517
  328   1HG   PRO  42           HG2      PRO  42  58.739  -1.660  -1.660
  329   2HG   PRO  42           HG1      PRO  42  60.283  -0.804  -0.804
  330   1HD   PRO  42           HD2      PRO  42  57.806   0.126   0.126
  331   2HD   PRO  42           HD1      PRO  42  59.323   1.045   1.045
  332    H    TRP  43           HN       TRP  43  56.151  -0.344  -0.344
  333    HA   TRP  43           HA       TRP  43  55.001  -1.046  -1.046
  334   1HB   TRP  43           HB2      TRP  43  53.805  -0.990  -0.990
  335   2HB   TRP  43           HB1      TRP  43  53.170  -1.865  -1.865
  336    HD1  TRP  43           HD1      TRP  43  55.900  -1.911  -1.911
  337    HE1  TRP  43           HE1      TRP  43  57.073  -4.211  -4.211
  338    HE3  TRP  43           HE3      TRP  43  53.739  -3.963  -3.963
  339    HZ2  TRP  43           HZ2      TRP  43  57.075  -6.610  -6.610
  340    HZ3  TRP  43           HZ3      TRP  43  54.333  -6.254  -6.254
  341    HH2  TRP  43           HH2      TRP  43  55.997  -7.579  -7.579
  342    H    TRP  44           HN       TRP  44  53.841   0.346   0.346
  343    HA   TRP  44           HA       TRP  44  52.712   2.833   2.833
  344   1HB   TRP  44           HB2      TRP  44  53.406   2.075   2.075
  345   2HB   TRP  44           HB1      TRP  44  52.877   3.661   3.661
  346    HD1  TRP  44           HD1      TRP  44  54.817   3.598   3.598
  347    HE1  TRP  44           HE1      TRP  44  57.329   4.072   4.072
  348    HE3  TRP  44           HE3      TRP  44  55.081   2.628   2.628
  349    HZ2  TRP  44           HZ2      TRP  44  59.200   4.046   4.046
  350    HZ3  TRP  44           HZ3      TRP  44  57.197   2.862   2.862
  351    HH2  TRP  44           HH2      TRP  44  59.272   3.569   3.569
  352    H    ARG  45           HN       ARG  45  50.982   3.460   3.460
  353    HA   ARG  45           HA       ARG  45  49.038   1.193   1.193
  354   1HB   ARG  45           HB2      ARG  45  48.745   3.356   3.356
  355   2HB   ARG  45           HB1      ARG  45  48.071   4.017   4.017
  356   1HG   ARG  45           HG2      ARG  45  46.403   2.325   2.325
  357   2HG   ARG  45           HG1      ARG  45  47.216   1.331   1.331
  358   1HD   ARG  45           HD2      ARG  45  46.825   3.230   3.230
  359   2HD   ARG  45           HD1      ARG  45  45.752   3.949   3.949
  360    HE   ARG  45           HE       ARG  45  45.215   1.116   1.116
  361   1HH1  ARG  45          HH21      ARG  45  42.806   1.947   1.947
  362   2HH1  ARG  45          HH22      ARG  45  42.050   2.687   2.687
  363   1HH2  ARG  45          HH11      ARG  45  45.022   3.126   3.126
  364   2HH2  ARG  45          HH12      ARG  45  43.305   3.354   3.354
  365    H    ALA  46           HN       ALA  46  50.352   1.078   1.078
  366    HA   ALA  46           HA       ALA  46  49.656   3.200   3.200
  367   1HB   ALA  46           HB3      ALA  46  52.019   1.944   1.944
  368   2HB   ALA  46           HB2      ALA  46  51.550   1.059   1.059
  369   3HB   ALA  46           HB1      ALA  46  51.765   2.801   2.801
  370    H    ARG  47           HN       ARG  47  48.919   2.518   2.518
  371    HA   ARG  47           HA       ARG  47  47.394  -0.064  -0.064
  372   1HB   ARG  47           HB2      ARG  47  47.037   2.536   2.536
  373   2HB   ARG  47           HB1      ARG  47  46.056   1.096   1.096
  374   1HG   ARG  47           HG2      ARG  47  44.916   1.323   1.323
  375   2HG   ARG  47           HG1      ARG  47  46.314   1.961   1.961
  376   1HD   ARG  47           HD2      ARG  47  45.432   4.039   4.039
  377   2HD   ARG  47           HD1      ARG  47  45.637   3.899   3.899
  378    HE   ARG  47           HE       ARG  47  43.259   2.598   2.598
  379   1HH1  ARG  47          HH11      ARG  47  43.996   5.743   5.743
  380   2HH1  ARG  47          HH12      ARG  47  42.822   5.967   5.967
  381   1HH2  ARG  47          HH21      ARG  47  42.031   2.598   2.598
  382   2HH2  ARG  47          HH22      ARG  47  41.709   4.186   4.186
  383    H    ASP  48           HN       ASP  48  47.271  -1.257  -1.257
  384    HA   ASP  48           HA       ASP  48  49.814  -1.104  -1.104
  385   1HB   ASP  48           HB2      ASP  48  49.218  -3.418  -3.418
  386   2HB   ASP  48           HB1      ASP  48  49.095  -3.195  -3.195
  387    H    LYS  49           HN       LYS  49  48.668  -2.563  -2.563
  388    HA   LYS  49           HA       LYS  49  47.424  -0.259  -0.259
  389   1HB   LYS  49           HB2      LYS  49  48.704  -2.876  -2.876
  390   2HB   LYS  49           HB1      LYS  49  47.964  -1.764  -1.764
  391   1HG   LYS  49           HG2      LYS  49  49.524  -0.023  -0.023
  392   2HG   LYS  49           HG1      LYS  49  50.491  -1.487  -1.487
  393   1HD   LYS  49           HD2      LYS  49  51.314  -0.826  -0.826
  394   2HD   LYS  49           HD1      LYS  49  49.893  -1.692  -1.692
  395   1HE   LYS  49           HE2      LYS  49  48.650   0.576   0.576
  396   2HE   LYS  49           HE1      LYS  49  50.275   1.287   1.287
  397   1HZ   LYS  49           HZ2      LYS  49  49.292  -0.583  -0.583
  398   2HZ   LYS  49           HZ1      LYS  49  49.427   1.100   1.100
  399   3HZ   LYS  49           HZ3      LYS  49  50.819   0.161   0.161
  400    H    ASN  50           HN       ASN  50  45.794  -1.799  -1.799
  401    HA   ASN  50           HA       ASN  50  43.755  -2.837  -2.837
  402   1HB   ASN  50           HB2      ASN  50  45.070  -4.106  -4.106
  403   2HB   ASN  50           HB1      ASN  50  43.367  -4.467  -4.467
  404   1HD2  ASN  50          HD22      ASN  50  44.650  -7.040  -7.040
  405   2HD2  ASN  50          HD21      ASN  50  43.959  -6.710  -6.710
  406    H    GLY  51           HN       GLY  51  44.213  -0.297  -0.297
  407   1HA   GLY  51           HA2      GLY  51  42.846   1.163   1.163
  408   2HA   GLY  51           HA1      GLY  51  41.484   0.197   0.197
  409    H    GLN  52           HN       GLN  52  44.116  -1.190  -1.190
  410    HA   GLN  52           HA       GLN  52  42.234  -1.506  -1.506
  411   1HB   GLN  52           HB2      GLN  52  44.006  -3.360  -3.360
  412   2HB   GLN  52           HB1      GLN  52  43.847  -3.641  -3.641
  413   1HG   GLN  52           HG2      GLN  52  41.250  -3.262  -3.262
  414   2HG   GLN  52           HG1      GLN  52  41.812  -3.899  -3.899
  415   1HE2  GLN  52          HE21      GLN  52  40.989  -6.041  -6.041
  416   2HE2  GLN  52          HE22      GLN  52  41.426  -7.138  -7.138
  417    H    GLU  53           HN       GLU  53  43.099  -1.084  -1.084
  418    HA   GLU  53           HA       GLU  53  45.912  -0.057  -0.057
  419   1HB   GLU  53           HB2      GLU  53  45.073   1.225   1.225
  420   2HB   GLU  53           HB1      GLU  53  44.132   1.562   1.562
  421   1HG   GLU  53           HG2      GLU  53  42.321   0.207   0.207
  422   2HG   GLU  53           HG1      GLU  53  43.299  -0.568  -0.568
  423    H    GLY  54           HN       GLY  54  47.253  -0.672  -0.672
  424   1HA   GLY  54           HA2      GLY  54  46.339  -2.505  -2.505
  425   2HA   GLY  54           HA1      GLY  54  47.241  -3.357  -3.357
  426    H    TYR  55           HN       TYR  55  48.995  -3.773  -3.773
  427    HA   TYR  55           HA       TYR  55  50.432  -1.340  -1.340
  428   1HB   TYR  55           HB2      TYR  55  50.301  -4.202  -4.202
  429   2HB   TYR  55           HB1      TYR  55  51.693  -3.223  -3.223
  430    HD1  TYR  55           HD2      TYR  55  51.408  -1.196  -1.196
  431    HD2  TYR  55           HD1      TYR  55  48.103  -3.767  -3.767
  432    HE1  TYR  55           HE2      TYR  55  50.068  -0.133  -0.133
  433    HE2  TYR  55           HE1      TYR  55  46.761  -2.704  -2.704
  434    HH   TYR  55           HH       TYR  55  47.921  -1.063  -1.063
  435    H    ILE  56           HN       ILE  56  52.630  -1.034  -1.034
  436    HA   ILE  56           HA       ILE  56  53.925  -2.844  -2.844
  437    HB   ILE  56           HB       ILE  56  53.176   0.070   0.070
  438   1HG1  ILE  56          HG12      ILE  56  53.019  -0.726  -0.726
  439   2HG1  ILE  56          HG11      ILE  56  53.075  -2.334  -2.334
  440   1HG2  ILE  56          HG23      ILE  56  55.681  -1.103  -1.103
  441   2HG2  ILE  56          HG22      ILE  56  54.831   0.211   0.211
  442   3HG2  ILE  56          HG21      ILE  56  55.461   0.446   0.446
  443   1HD1  ILE  56          HD13      ILE  56  51.252  -0.605  -0.605
  444   2HD1  ILE  56          HD12      ILE  56  50.819  -0.703  -0.703
  445   3HD1  ILE  56          HD11      ILE  56  50.952  -2.172  -2.172
  446    HA   PRO  57           HA       PRO  57  56.908  -2.087  -2.087
  447   1HB   PRO  57           HB2      PRO  57  58.699  -3.933  -3.933
  448   2HB   PRO  57           HB1      PRO  57  57.756  -4.182  -4.182
  449   1HG   PRO  57           HG2      PRO  57  57.321  -5.343  -5.343
  450   2HG   PRO  57           HG1      PRO  57  56.404  -5.613  -5.613
  451   1HD   PRO  57           HD2      PRO  57  55.573  -4.165  -4.165
  452   2HD   PRO  57           HD1      PRO  57  54.669  -4.388  -4.388
  453    H    SER  58           HN       SER  58  58.262  -0.335  -0.335
  454    HA   SER  58           HA       SER  58  59.001   0.999   0.999
  455   1HB   SER  58           HB2      SER  58  59.055   1.912   1.912
  456   2HB   SER  58           HB1      SER  58  60.436   0.883   0.883
  457    HG   SER  58           HG       SER  58  61.588   2.442   2.442
  458    H    ASN  59           HN       ASN  59  60.913  -1.370  -1.370
  459    HA   ASN  59           HA       ASN  59  63.291  -1.250  -1.250
  460   1HB   ASN  59           HB2      ASN  59  63.859  -3.257  -3.257
  461   2HB   ASN  59           HB1      ASN  59  62.891  -2.261  -2.261
  462   1HD2  ASN  59          HD22      ASN  59  60.176  -4.544  -4.544
  463   2HD2  ASN  59          HD21      ASN  59  60.682  -2.958  -2.958
  464    H    TYR  60           HN       TYR  60  60.379  -3.221  -3.221
  465    HA   TYR  60           HA       TYR  60  61.244  -4.934  -4.934
  466   1HB   TYR  60           HB2      TYR  60  58.739  -4.156  -4.156
  467   2HB   TYR  60           HB1      TYR  60  58.529  -4.799  -4.799
  468    HD1  TYR  60           HD2      TYR  60  59.871  -5.520  -5.520
  469    HD2  TYR  60           HD1      TYR  60  58.986  -7.109  -7.109
  470    HE1  TYR  60           HE2      TYR  60  60.223  -7.818  -7.818
  471    HE2  TYR  60           HE1      TYR  60  59.337  -9.408  -9.408
  472    HH   TYR  60           HH       TYR  60  60.913 -10.116 -10.116
  473    H    VAL  61           HN       VAL  61  59.534  -1.787  -1.787
  474    HA   VAL  61           HA       VAL  61  59.659  -1.819  -1.819
  475    HB   VAL  61           HB       VAL  61  58.028   0.055   0.055
  476   1HG1  VAL  61          HG11      VAL  61  57.398  -2.422  -2.422
  477   2HG1  VAL  61          HG13      VAL  61  57.185  -2.302  -2.302
  478   3HG1  VAL  61          HG12      VAL  61  56.183  -1.332  -1.332
  479   1HG2  VAL  61          HG22      VAL  61  59.045   0.484   0.484
  480   2HG2  VAL  61          HG21      VAL  61  57.402   0.958   0.958
  481   3HG2  VAL  61          HG23      VAL  61  57.683  -0.542  -0.542
  482    H    THR  62           HN       THR  62  60.074   0.398   0.398
  483    HA   THR  62           HA       THR  62  61.961   2.094   2.094
  484    HB   THR  62           HB       THR  62  63.272   0.290   0.290
  485    HG1  THR  62           HG1      THR  62  64.625   1.857   1.857
  486   1HG2  THR  62          HG22      THR  62  61.418   0.247   0.247
  487   2HG2  THR  62          HG21      THR  62  62.599   1.288   1.288
  488   3HG2  THR  62          HG23      THR  62  63.062  -0.330  -0.330
  489    H    GLU  63           HN       GLU  63  62.595   3.100   3.100
  490    HA   GLU  63           HA       GLU  63  60.393   5.065   5.065
  491   1HB   GLU  63           HB2      GLU  63  63.141   4.762   4.762
  492   2HB   GLU  63           HB1      GLU  63  62.028   5.767   5.767
  493   1HG   GLU  63           HG2      GLU  63  61.545   7.102   7.102
  494   2HG   GLU  63           HG1      GLU  63  62.665   6.102   6.102
  495    H    ALA  64           HN       ALA  64  58.781   5.095   5.095
  496    HA   ALA  64           HA       ALA  64  57.966   2.870   2.870
  497   1HB   ALA  64           HB3      ALA  64  57.076   5.406   5.406
  498   2HB   ALA  64           HB2      ALA  64  57.411   5.500   5.500
  499   3HB   ALA  64           HB1      ALA  64  56.289   4.286   4.286
  500    H    GLU  65           HN       GLU  65  60.138   5.486   5.486
  501    HA   GLU  65           HA       GLU  65  60.937   3.791   3.791
  502   1HB   GLU  65           HB2      GLU  65  59.933   6.641   6.641
  503   2HB   GLU  65           HB1      GLU  65  60.910   6.033   6.033
  504   1HG   GLU  65           HG2      GLU  65  59.161   4.041   4.041
  505   2HG   GLU  65           HG1      GLU  65  58.138   5.258   5.258
  506    H    ASP  66           HN       ASP  66  63.109   4.175   4.175
  507    HA   ASP  66           HA       ASP  66  64.734   6.056   6.056
  508   1HB   ASP  66           HB2      ASP  66  64.940   3.092   3.092
  509   2HB   ASP  66           HB1      ASP  66  66.428   4.015   4.015
  510    H    SER  67           HN       SER  67  65.551   7.470   7.470
  511    HA   SER  67           HA       SER  67  66.085   6.618   6.618
  512   1HB   SER  67           HB2      SER  67  65.187   8.898   8.898
  513   2HB   SER  67           HB1      SER  67  66.899   9.287   9.287
  514    HG   SER  67           HG       SER  67  65.168   9.540   9.540


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