NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
25132 2k6n 15874 cing 1-original 3 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
    1    H1   MET  10           HT1      MET  10  87.440  -9.641   4.291
    2    H2   MET  10           HT2      MET  10  88.663 -10.744   3.809
    3    H3   MET  10           HT3      MET  10  87.906  -9.735   2.644
    4    HA   MET  10           HA       MET  10  89.913  -8.744   3.007
    5    HB2  MET  10           HB2      MET  10  87.716  -7.388   3.337
    6    HB3  MET  10           HB1      MET  10  88.200  -7.325   5.027
    7    HG2  MET  10           HG2      MET  10  90.353  -6.318   4.311
    8    HG3  MET  10           HG1      MET  10  89.727  -6.261   2.664
    9    HE1  MET  10           HE1      MET  10  86.554  -3.952   3.231
   10    HE2  MET  10           HE2      MET  10  86.478  -5.574   3.921
   11    HE3  MET  10           HE3      MET  10  87.191  -5.326   2.326
   12    H    LEU  11           HN       LEU  11  88.500  -9.952   5.975
   13    HA   LEU  11           HA       LEU  11  90.785  -9.261   7.591
   14    HB2  LEU  11           HB2      LEU  11  88.384 -11.000   8.156
   15    HB3  LEU  11           HB1      LEU  11  89.616 -10.599   9.338
   16    HG   LEU  11           HG       LEU  11  87.724  -8.668   7.998
   17   HD11  LEU  11          HD11      LEU  11  86.474  -8.699   9.874
   18   HD12  LEU  11          HD12      LEU  11  87.865  -8.951  10.928
   19   HD13  LEU  11          HD13      LEU  11  87.167 -10.311  10.049
   20   HD21  LEU  11          HD21      LEU  11  88.782  -7.119   9.789
   21   HD22  LEU  11          HD22      LEU  11  89.631  -7.386   8.267
   22   HD23  LEU  11          HD23      LEU  11  90.132  -8.251   9.720
   23    H    ALA  12           HN       ALA  12  89.407 -12.236   6.232
   24    HA   ALA  12           HA       ALA  12  91.363 -13.984   7.279
   25    HB1  ALA  12           HB1      ALA  12  89.633 -14.319   4.831
   26    HB2  ALA  12           HB2      ALA  12  89.197 -14.772   6.479
   27    HB3  ALA  12           HB3      ALA  12  90.517 -15.603   5.657
   28    H    LYS  13           HN       LYS  13  91.138 -12.182   4.253
   29    HA   LYS  13           HA       LYS  13  93.817 -13.145   3.515
   30    HB2  LYS  13           HB2      LYS  13  91.900 -11.661   1.723
   31    HB3  LYS  13           HB1      LYS  13  93.315 -12.594   1.255
   32    HG2  LYS  13           HG2      LYS  13  92.224 -14.649   1.866
   33    HG3  LYS  13           HG1      LYS  13  90.839 -13.763   2.506
   34    HD2  LYS  13           HD2      LYS  13  90.583 -12.794   0.163
   35    HD3  LYS  13           HD1      LYS  13  91.721 -14.039  -0.355
   36    HE2  LYS  13           HE2      LYS  13  89.934 -15.482   1.122
   37    HE3  LYS  13           HE1      LYS  13  88.898 -14.256   0.394
   38    HZ1  LYS  13           HZ1      LYS  13  89.054 -16.214  -1.003
   39    HZ2  LYS  13           HZ2      LYS  13  90.737 -16.065  -1.079
   40    HZ3  LYS  13           HZ3      LYS  13  89.752 -14.884  -1.781
   41    H    LEU  14           HN       LEU  14  95.458 -11.707   3.010
   42    HA   LEU  14           HA       LEU  14  95.025  -8.966   3.979
   43    HB2  LEU  14           HB2      LEU  14  97.520 -10.647   3.784
   44    HB3  LEU  14           HB1      LEU  14  97.542  -8.938   4.173
   45    HG   LEU  14           HG       LEU  14  96.000 -10.939   5.812
   46   HD11  LEU  14          HD11      LEU  14  97.809 -11.498   7.034
   47   HD12  LEU  14          HD12      LEU  14  98.576  -9.925   6.821
   48   HD13  LEU  14          HD13      LEU  14  98.666 -11.130   5.538
   49   HD21  LEU  14          HD21      LEU  14  95.823  -9.254   7.407
   50   HD22  LEU  14          HD22      LEU  14  95.579  -8.401   5.883
   51   HD23  LEU  14          HD23      LEU  14  97.139  -8.314   6.702
   52    H    CYS  15           HN       CYS  15  94.815  -7.473   2.461
   53    HA   CYS  15           HA       CYS  15  95.784  -7.958  -0.231
   54    HB2  CYS  15           HB2      CYS  15  93.539  -6.763   0.655
   55    HB3  CYS  15           HB1      CYS  15  94.566  -5.346   0.472
   56    HG   CYS  15           HG       CYS  15  94.077  -5.422  -1.914
   57    H    LYS  16           HN       LYS  16  97.906  -7.626  -0.503
   58    HA   LYS  16           HA       LYS  16  99.277  -5.492   0.899
   59    HB2  LYS  16           HB2      LYS  16 100.293  -7.504  -1.116
   60    HB3  LYS  16           HB1      LYS  16 101.298  -6.377  -0.216
   61    HG2  LYS  16           HG2      LYS  16  99.990  -7.584   1.810
   62    HG3  LYS  16           HG1      LYS  16 100.049  -8.898   0.633
   63    HD2  LYS  16           HD2      LYS  16 102.270  -9.163   0.863
   64    HD3  LYS  16           HD1      LYS  16 102.567  -7.424   0.930
   65    HE2  LYS  16           HE2      LYS  16 101.859  -7.380   3.260
   66    HE3  LYS  16           HE1      LYS  16 101.507  -9.107   3.199
   67    HZ1  LYS  16           HZ1      LYS  16 103.585  -9.211   4.042
   68    HZ2  LYS  16           HZ2      LYS  16 104.073  -7.738   3.368
   69    HZ3  LYS  16           HZ3      LYS  16 104.027  -9.131   2.410
   70    H    THR  17           HN       THR  17  98.996  -3.496   0.139
   71    HA   THR  17           HA       THR  17  99.202  -3.082  -2.773
   72    HB   THR  17           HB       THR  17  96.950  -2.576  -1.924
   73    HG1  THR  17           HG1      THR  17  96.818  -0.801  -3.085
   74   HG21  THR  17          HG21      THR  17  97.924  -1.798   0.376
   75   HG22  THR  17          HG22      THR  17  96.440  -1.094  -0.267
   76   HG23  THR  17          HG23      THR  17  97.967  -0.225  -0.420
   77    H    ILE  18           HN       ILE  18 100.876  -1.905  -3.432
   78    HA   ILE  18           HA       ILE  18 102.560  -0.603  -1.462
   79    HB   ILE  18           HB       ILE  18 102.870  -1.351  -4.349
   80   HG12  ILE  18          HG12      ILE  18 104.516  -2.804  -3.604
   81   HG13  ILE  18          HG11      ILE  18 104.858  -1.855  -2.165
   82   HG21  ILE  18          HG21      ILE  18 105.162  -0.287  -4.228
   83   HG22  ILE  18          HG22      ILE  18 104.575   0.597  -2.822
   84   HG23  ILE  18          HG23      ILE  18 103.797   0.816  -4.388
   85   HD11  ILE  18          HD11      ILE  18 103.782  -4.031  -1.710
   86   HD12  ILE  18          HD12      ILE  18 102.358  -3.473  -2.587
   87   HD13  ILE  18          HD13      ILE  18 102.860  -2.654  -1.108
   88    H    TYR  19           HN       TYR  19 103.063   1.563  -1.424
   89    HA   TYR  19           HA       TYR  19 101.124   3.315  -2.698
   90    HB2  TYR  19           HB2      TYR  19 103.258   3.860  -0.605
   91    HB3  TYR  19           HB1      TYR  19 102.130   5.072  -1.216
   92    HD1  TYR  19           HD2      TYR  19 100.711   1.778  -0.895
   93    HD2  TYR  19           HD1      TYR  19 101.539   5.348   1.301
   94    HE1  TYR  19           HE2      TYR  19  99.078   1.113   0.798
   95    HE2  TYR  19           HE1      TYR  19  99.902   4.668   2.994
   96    HH   TYR  19           HH       TYR  19  97.583   2.625   2.607
   97    HA   PRO  20           HA       PRO  20 103.631   4.472  -6.137
   98    HB2  PRO  20           HB2      PRO  20 103.099   7.211  -6.145
   99    HB3  PRO  20           HB1      PRO  20 102.118   5.963  -6.930
  100    HG2  PRO  20           HG2      PRO  20 101.767   7.254  -4.260
  101    HG3  PRO  20           HG1      PRO  20 100.537   6.838  -5.469
  102    HD2  PRO  20           HD2      PRO  20 100.860   5.319  -3.314
  103    HD3  PRO  20           HD1      PRO  20 100.597   4.560  -4.904
  104    H    LEU  21           HN       LEU  21 105.751   4.348  -5.807
  105    HA   LEU  21           HA       LEU  21 107.353   5.282  -3.869
  106    HB2  LEU  21           HB2      LEU  21 109.160   5.503  -5.656
  107    HB3  LEU  21           HB1      LEU  21 108.379   3.941  -5.459
  108    HG   LEU  21           HG       LEU  21 106.820   5.046  -7.394
  109   HD11  LEU  21          HD11      LEU  21 109.410   6.441  -7.419
  110   HD12  LEU  21          HD12      LEU  21 107.849   6.926  -8.080
  111   HD13  LEU  21          HD13      LEU  21 108.872   5.801  -8.972
  112   HD21  LEU  21          HD21      LEU  21 109.339   3.416  -7.653
  113   HD22  LEU  21          HD22      LEU  21 108.211   3.692  -8.981
  114   HD23  LEU  21          HD23      LEU  21 107.680   2.831  -7.537
  115    H    ALA  22           HN       ALA  22 106.437   7.219  -6.724
  116    HA   ALA  22           HA       ALA  22 108.039   9.448  -6.117
  117    HB1  ALA  22           HB1      ALA  22 106.032  10.611  -7.455
  118    HB2  ALA  22           HB2      ALA  22 105.718   8.927  -7.871
  119    HB3  ALA  22           HB3      ALA  22 107.284   9.650  -8.241
  120    H    ASP  23           HN       ASP  23 104.571   9.007  -5.613
  121    HA   ASP  23           HA       ASP  23 103.922  11.270  -4.244
  122    HB2  ASP  23           HB2      ASP  23 102.835   8.662  -4.667
  123    HB3  ASP  23           HB1      ASP  23 102.526   9.155  -3.002
  124    H    LEU  24           HN       LEU  24 105.871   8.652  -3.076
  125    HA   LEU  24           HA       LEU  24 105.702   9.761  -0.352
  126    HB2  LEU  24           HB2      LEU  24 106.736   7.412   0.199
  127    HB3  LEU  24           HB1      LEU  24 105.008   7.629   0.009
  128    HG   LEU  24           HG       LEU  24 106.115   7.001  -2.549
  129   HD11  LEU  24          HD11      LEU  24 107.863   5.741  -1.996
  130   HD12  LEU  24          HD12      LEU  24 106.647   4.546  -1.543
  131   HD13  LEU  24          HD13      LEU  24 107.349   5.599  -0.318
  132   HD21  LEU  24          HD21      LEU  24 104.690   4.853  -1.909
  133   HD22  LEU  24          HD22      LEU  24 103.943   6.391  -2.341
  134   HD23  LEU  24          HD23      LEU  24 104.120   5.943  -0.648
  135    H    LEU  25           HN       LEU  25 107.800   8.955  -2.964
  136    HA   LEU  25           HA       LEU  25 110.230   8.913  -1.531
  137    HB2  LEU  25           HB2      LEU  25 109.897   8.072  -3.849
  138    HB3  LEU  25           HB1      LEU  25 109.818   9.737  -4.404
  139    HG   LEU  25           HG       LEU  25 112.122  10.107  -3.701
  140   HD11  LEU  25          HD11      LEU  25 112.961   8.877  -2.058
  141   HD12  LEU  25          HD12      LEU  25 113.068   7.522  -3.181
  142   HD13  LEU  25          HD13      LEU  25 111.630   7.726  -2.179
  143   HD21  LEU  25          HD21      LEU  25 113.241   8.623  -5.289
  144   HD22  LEU  25          HD22      LEU  25 111.725   9.236  -5.950
  145   HD23  LEU  25          HD23      LEU  25 111.815   7.586  -5.333
  146    H    ALA  26           HN       ALA  26 108.101  11.452  -2.108
  147    HA   ALA  26           HA       ALA  26 109.412  13.376  -0.680
  148    HB1  ALA  26           HB1      ALA  26 110.139  14.868  -2.729
  149    HB2  ALA  26           HB2      ALA  26 110.353  13.298  -3.505
  150    HB3  ALA  26           HB3      ALA  26 111.239  13.681  -2.028
  151    H    ARG  27           HN       ARG  27 106.805  12.599  -1.076
  152    HA   ARG  27           HA       ARG  27 105.564  15.122  -1.834
  153    HB2  ARG  27           HB2      ARG  27 105.535  13.922  -3.928
  154    HB3  ARG  27           HB1      ARG  27 104.931  12.476  -3.146
  155    HG2  ARG  27           HG2      ARG  27 103.316  14.978  -3.082
  156    HG3  ARG  27           HG1      ARG  27 103.338  13.971  -4.528
  157    HD2  ARG  27           HD2      ARG  27 102.803  12.048  -2.857
  158    HD3  ARG  27           HD1      ARG  27 102.277  13.363  -1.799
  159    HE   ARG  27           HE       ARG  27 101.149  13.596  -4.402
  160   HH11  ARG  27          HH11      ARG  27 100.829  11.857  -1.393
  161   HH12  ARG  27          HH12      ARG  27  99.139  11.547  -1.610
  162   HH21  ARG  27          HH21      ARG  27  98.930  13.186  -4.688
  163   HH22  ARG  27          HH22      ARG  27  98.062  12.300  -3.479
  164    HA   PRO  28           HA       PRO  28 102.993  14.539   1.748
  165    HB2  PRO  28           HB2      PRO  28 100.537  14.946   0.321
  166    HB3  PRO  28           HB1      PRO  28 101.409  16.100   1.344
  167    HG2  PRO  28           HG2      PRO  28 101.433  15.788  -1.604
  168    HG3  PRO  28           HG1      PRO  28 101.723  17.233  -0.620
  169    HD2  PRO  28           HD2      PRO  28 103.735  15.997  -1.873
  170    HD3  PRO  28           HD1      PRO  28 103.953  16.684  -0.249
  171    H    LEU  29           HN       LEU  29 103.691  12.247   1.400
  172    HA   LEU  29           HA       LEU  29 102.002  10.360   0.129
  173    HB2  LEU  29           HB2      LEU  29 103.339   8.698   1.448
  174    HB3  LEU  29           HB1      LEU  29 104.269   9.783   0.425
  175    HG   LEU  29           HG       LEU  29 104.654  11.193   2.518
  176   HD11  LEU  29          HD11      LEU  29 104.578   9.446   4.544
  177   HD12  LEU  29          HD12      LEU  29 103.166   8.907   3.635
  178   HD13  LEU  29          HD13      LEU  29 103.272  10.577   4.190
  179   HD21  LEU  29          HD21      LEU  29 106.177   9.082   3.390
  180   HD22  LEU  29          HD22      LEU  29 106.623  10.223   2.121
  181   HD23  LEU  29          HD23      LEU  29 105.879   8.683   1.699
  182    HA   PRO  30           HA       PRO  30  98.851   9.369   2.998
  183    HB2  PRO  30           HB2      PRO  30  99.554   6.517   2.765
  184    HB3  PRO  30           HB1      PRO  30  98.045   7.341   2.359
  185    HG2  PRO  30           HG2      PRO  30  99.695   6.444   0.460
  186    HG3  PRO  30           HG1      PRO  30  98.794   7.968   0.267
  187    HD2  PRO  30           HD2      PRO  30 101.667   7.538   0.995
  188    HD3  PRO  30           HD1      PRO  30 100.929   8.750  -0.063
  189    H    GLU  31           HN       GLU  31  98.682   7.112   4.573
  190    HA   GLU  31           HA       GLU  31 100.691   7.701   6.635
  191    HB2  GLU  31           HB2      GLU  31  98.403   8.297   7.308
  192    HB3  GLU  31           HB1      GLU  31  97.873   6.651   6.985
  193    HG2  GLU  31           HG2      GLU  31  98.133   6.794   9.310
  194    HG3  GLU  31           HG1      GLU  31  99.541   5.907   8.728
  195    H    GLY  32           HN       GLY  32  98.889   5.070   5.076
  196    HA2  GLY  32           HA2      GLY  32  99.904   2.896   6.465
  197    HA3  GLY  32           HA1      GLY  32  99.576   2.882   4.728
  198    H    VAL  33           HN       VAL  33 101.429   5.090   4.278
  199    HA   VAL  33           HA       VAL  33 103.839   3.598   3.888
  200    HB   VAL  33           HB       VAL  33 102.672   6.097   2.954
  201   HG11  VAL  33          HG11      VAL  33 104.913   7.187   2.493
  202   HG12  VAL  33          HG12      VAL  33 105.558   6.168   3.779
  203   HG13  VAL  33          HG13      VAL  33 104.278   7.331   4.130
  204   HG21  VAL  33          HG21      VAL  33 104.998   5.016   1.556
  205   HG22  VAL  33          HG22      VAL  33 103.364   5.353   0.978
  206   HG23  VAL  33          HG23      VAL  33 103.701   3.853   1.841
  207    H    ASP  34           HN       ASP  34 105.106   3.223   5.640
  208    HA   ASP  34           HA       ASP  34 105.177   5.150   7.797
  209    HB2  ASP  34           HB2      ASP  34 106.974   2.744   7.702
  210    HB3  ASP  34           HB1      ASP  34 106.198   3.507   9.092
  211    HA   PRO  35           HA       PRO  35 108.727   7.192   6.082
  212    HB2  PRO  35           HB2      PRO  35 109.355   8.770   8.183
  213    HB3  PRO  35           HB1      PRO  35 107.938   9.064   7.162
  214    HG2  PRO  35           HG2      PRO  35 108.101   7.733   9.840
  215    HG3  PRO  35           HG1      PRO  35 106.919   8.915   9.249
  216    HD2  PRO  35           HD2      PRO  35 106.430   6.239   9.336
  217    HD3  PRO  35           HD1      PRO  35 105.697   7.321   8.130
  218    H    LEU  36           HN       LEU  36 108.972   5.776   9.336
  219    HA   LEU  36           HA       LEU  36 111.738   5.869   9.582
  220    HB2  LEU  36           HB2      LEU  36 111.565   4.220  11.306
  221    HB3  LEU  36           HB1      LEU  36 110.207   5.325  11.436
  222    HG   LEU  36           HG       LEU  36 109.446   3.105  11.903
  223   HD11  LEU  36          HD11      LEU  36 107.665   2.863  10.320
  224   HD12  LEU  36          HD12      LEU  36 108.542   3.815   9.124
  225   HD13  LEU  36          HD13      LEU  36 107.956   4.580  10.600
  226   HD21  LEU  36          HD21      LEU  36 110.070   1.237  10.842
  227   HD22  LEU  36          HD22      LEU  36 111.384   2.233  10.213
  228   HD23  LEU  36          HD23      LEU  36 109.929   1.977   9.250
  229    H    LYS  37           HN       LYS  37 109.768   3.808   7.624
  230    HA   LYS  37           HA       LYS  37 112.111   2.794   6.353
  231    HB2  LYS  37           HB2      LYS  37 111.960   0.510   6.801
  232    HB3  LYS  37           HB1      LYS  37 111.686   1.260   8.371
  233    HG2  LYS  37           HG2      LYS  37 109.162   1.056   7.654
  234    HG3  LYS  37           HG1      LYS  37 109.802  -0.216   6.611
  235    HD2  LYS  37           HD2      LYS  37 110.339  -1.570   8.359
  236    HD3  LYS  37           HD1      LYS  37 110.691  -0.218   9.436
  237    HE2  LYS  37           HE2      LYS  37 108.602  -0.170  10.243
  238    HE3  LYS  37           HE1      LYS  37 107.884  -0.383   8.647
  239    HZ1  LYS  37           HZ1      LYS  37 108.890  -2.481  10.479
  240    HZ2  LYS  37           HZ2      LYS  37 108.545  -2.784   8.852
  241    HZ3  LYS  37           HZ3      LYS  37 107.315  -2.277   9.896
  242    H    LEU  38           HN       LEU  38 111.662   3.111   4.319
  243    HA   LEU  38           HA       LEU  38 108.934   3.001   3.347
  244    HB2  LEU  38           HB2      LEU  38 111.425   3.615   1.776
  245    HB3  LEU  38           HB1      LEU  38 109.771   4.038   1.368
  246    HG   LEU  38           HG       LEU  38 111.631   5.321   3.324
  247   HD11  LEU  38          HD11      LEU  38 111.424   7.093   1.989
  248   HD12  LEU  38          HD12      LEU  38 109.672   6.933   1.897
  249   HD13  LEU  38          HD13      LEU  38 110.702   5.981   0.828
  250   HD21  LEU  38          HD21      LEU  38 110.029   5.294   4.903
  251   HD22  LEU  38          HD22      LEU  38 108.755   4.886   3.755
  252   HD23  LEU  38          HD23      LEU  38 109.292   6.557   3.916
  253    H    GLU  39           HN       GLU  39 111.794   1.049   3.230
  254    HA   GLU  39           HA       GLU  39 111.265  -0.395   0.878
  255    HB2  GLU  39           HB2      GLU  39 112.908  -1.973   1.654
  256    HB3  GLU  39           HB1      GLU  39 113.445  -0.339   2.041
  257    HG2  GLU  39           HG2      GLU  39 113.494  -0.763   4.222
  258    HG3  GLU  39           HG1      GLU  39 111.915  -1.546   4.193
  259    H    ILE  40           HN       ILE  40 109.401  -0.395   3.655
  260    HA   ILE  40           HA       ILE  40 108.671  -3.216   3.381
  261    HB   ILE  40           HB       ILE  40 107.412  -2.969   5.441
  262   HG12  ILE  40          HG12      ILE  40 107.882  -0.703   6.688
  263   HG13  ILE  40          HG11      ILE  40 108.078  -0.073   5.056
  264   HG21  ILE  40          HG21      ILE  40 109.301  -2.494   6.961
  265   HG22  ILE  40          HG22      ILE  40 110.211  -1.864   5.589
  266   HG23  ILE  40          HG23      ILE  40 109.738  -3.562   5.628
  267   HD11  ILE  40          HD11      ILE  40 105.682  -1.648   5.252
  268   HD12  ILE  40          HD12      ILE  40 105.888   0.038   4.776
  269   HD13  ILE  40          HD13      ILE  40 105.710  -0.382   6.480
  270    H    TYR  41           HN       TYR  41 107.720  -0.449   1.899
  271    HA   TYR  41           HA       TYR  41 104.990  -1.495   1.595
  272    HB2  TYR  41           HB2      TYR  41 104.098   0.793   1.483
  273    HB3  TYR  41           HB1      TYR  41 104.802   0.419   3.054
  274    HD1  TYR  41           HD2      TYR  41 106.519   1.561  -0.092
  275    HD2  TYR  41           HD1      TYR  41 105.418   2.464   3.916
  276    HE1  TYR  41           HE2      TYR  41 107.841   3.624  -0.202
  277    HE2  TYR  41           HE1      TYR  41 106.724   4.538   3.811
  278    HH   TYR  41           HH       TYR  41 108.591   5.402   0.926
  279    H    LEU  42           HN       LEU  42 107.573  -1.526  -0.065
  280    HA   LEU  42           HA       LEU  42 106.270  -0.529  -2.512
  281    HB2  LEU  42           HB2      LEU  42 108.782  -0.278  -3.282
  282    HB3  LEU  42           HB1      LEU  42 107.923   1.013  -2.462
  283    HG   LEU  42           HG       LEU  42 109.041  -0.323  -0.349
  284   HD11  LEU  42          HD11      LEU  42 110.757  -1.575  -0.958
  285   HD12  LEU  42          HD12      LEU  42 111.497  -0.187  -1.753
  286   HD13  LEU  42          HD13      LEU  42 110.407  -1.240  -2.652
  287   HD21  LEU  42          HD21      LEU  42 110.765   1.506  -0.430
  288   HD22  LEU  42          HD22      LEU  42 109.088   2.042  -0.528
  289   HD23  LEU  42          HD23      LEU  42 110.080   1.978  -1.985
  290    H    THR  43           HN       THR  43 106.114  -1.908  -4.144
  291    HA   THR  43           HA       THR  43 107.069  -4.609  -3.770
  292    HB   THR  43           HB       THR  43 104.861  -4.432  -4.634
  293    HG1  THR  43           HG1      THR  43 106.493  -4.993  -6.878
  294   HG21  THR  43          HG21      THR  43 104.302  -2.559  -5.695
  295   HG22  THR  43          HG22      THR  43 104.902  -3.365  -7.144
  296   HG23  THR  43          HG23      THR  43 105.951  -2.267  -6.247
  297    H    ASP  44           HN       ASP  44 108.247  -5.742  -5.382
  298    HA   ASP  44           HA       ASP  44 110.700  -5.095  -5.987
  299    HB2  ASP  44           HB2      ASP  44 110.689  -6.616  -7.876
  300    HB3  ASP  44           HB1      ASP  44 109.654  -7.248  -6.594
  301    H    GLU  45           HN       GLU  45 107.975  -3.986  -7.970
  302    HA   GLU  45           HA       GLU  45 109.570  -2.732  -9.954
  303    HB2  GLU  45           HB2      GLU  45 106.729  -2.365  -9.044
  304    HB3  GLU  45           HB1      GLU  45 107.433  -1.340 -10.284
  305    HG2  GLU  45           HG2      GLU  45 107.989  -3.459 -11.541
  306    HG3  GLU  45           HG1      GLU  45 106.966  -4.304 -10.380
  307    H    ASP  46           HN       ASP  46 107.832  -1.484  -7.129
  308    HA   ASP  46           HA       ASP  46 108.883   1.144  -7.261
  309    HB2  ASP  46           HB2      ASP  46 106.791   0.549  -6.090
  310    HB3  ASP  46           HB1      ASP  46 107.718  -0.422  -4.936
  311    H    PHE  47           HN       PHE  47 109.730  -1.819  -5.612
  312    HA   PHE  47           HA       PHE  47 111.809  -0.886  -3.969
  313    HB2  PHE  47           HB2      PHE  47 110.583  -3.365  -4.619
  314    HB3  PHE  47           HB1      PHE  47 112.309  -3.563  -4.908
  315    HD1  PHE  47           HD2      PHE  47 113.669  -2.193  -2.864
  316    HD2  PHE  47           HD1      PHE  47 109.949  -4.239  -2.632
  317    HE1  PHE  47           HE2      PHE  47 114.006  -2.526  -0.449
  318    HE2  PHE  47           HE1      PHE  47 110.271  -4.566  -0.218
  319    HZ   PHE  47           HZ       PHE  47 112.295  -3.706   0.877
  320    H    GLU  48           HN       GLU  48 111.671  -2.105  -7.272
  321    HA   GLU  48           HA       GLU  48 114.474  -2.151  -7.715
  322    HB2  GLU  48           HB2      GLU  48 112.046  -2.287  -9.420
  323    HB3  GLU  48           HB1      GLU  48 113.558  -1.864 -10.211
  324    HG2  GLU  48           HG2      GLU  48 114.312  -4.003  -8.708
  325    HG3  GLU  48           HG1      GLU  48 112.645  -4.426  -9.132
  326    H    PHE  49           HN       PHE  49 112.020   0.328  -8.372
  327    HA   PHE  49           HA       PHE  49 114.010   2.120  -9.473
  328    HB2  PHE  49           HB2      PHE  49 111.505   1.875 -10.162
  329    HB3  PHE  49           HB1      PHE  49 111.212   2.956  -8.798
  330    HD1  PHE  49           HD2      PHE  49 112.735   2.640 -12.117
  331    HD2  PHE  49           HD1      PHE  49 111.865   5.262  -8.880
  332    HE1  PHE  49           HE2      PHE  49 113.269   4.572 -13.543
  333    HE2  PHE  49           HE1      PHE  49 112.396   7.199 -10.301
  334    HZ   PHE  49           HZ       PHE  49 113.100   6.856 -12.636
  335    H    ALA  50           HN       ALA  50 112.778   1.428  -6.368
  336    HA   ALA  50           HA       ALA  50 113.477   4.089  -5.363
  337    HB1  ALA  50           HB1      ALA  50 111.291   2.962  -4.762
  338    HB2  ALA  50           HB2      ALA  50 112.245   3.596  -3.421
  339    HB3  ALA  50           HB3      ALA  50 112.245   1.866  -3.764
  340    H    LEU  51           HN       LEU  51 114.244   0.663  -4.800
  341    HA   LEU  51           HA       LEU  51 116.698   1.547  -3.424
  342    HB2  LEU  51           HB2      LEU  51 114.688  -0.504  -2.714
  343    HB3  LEU  51           HB1      LEU  51 116.366  -0.906  -2.405
  344    HG   LEU  51           HG       LEU  51 115.230   1.679  -1.408
  345   HD11  LEU  51          HD11      LEU  51 114.489   0.658   0.598
  346   HD12  LEU  51          HD12      LEU  51 115.153  -0.904   0.126
  347   HD13  LEU  51          HD13      LEU  51 113.760  -0.246  -0.728
  348   HD21  LEU  51          HD21      LEU  51 117.401   1.815  -0.871
  349   HD22  LEU  51          HD22      LEU  51 117.664   0.087  -1.093
  350   HD23  LEU  51          HD23      LEU  51 116.991   0.687   0.418
  351    H    ASP  52           HN       ASP  52 115.486  -0.106  -6.083
  352    HA   ASP  52           HA       ASP  52 116.497  -1.297  -7.734
  353    HB2  ASP  52           HB2      ASP  52 119.102  -0.976  -6.241
  354    HB3  ASP  52           HB1      ASP  52 118.872  -1.272  -7.967
  355    H    MET  53           HN       MET  53 115.834  -2.371  -4.826
  356    HA   MET  53           HA       MET  53 116.940  -5.045  -5.401
  357    HB2  MET  53           HB2      MET  53 117.476  -3.500  -3.113
  358    HB3  MET  53           HB1      MET  53 116.350  -4.756  -2.594
  359    HG2  MET  53           HG2      MET  53 118.367  -5.806  -2.287
  360    HG3  MET  53           HG1      MET  53 117.947  -6.336  -3.911
  361    HE1  MET  53           HE1      MET  53 120.778  -6.772  -4.802
  362    HE2  MET  53           HE2      MET  53 120.491  -6.898  -3.066
  363    HE3  MET  53           HE3      MET  53 121.841  -5.937  -3.669
  364    H    THR  54           HN       THR  54 115.448  -6.352  -3.259
  365    HA   THR  54           HA       THR  54 112.688  -5.821  -4.115
  366    HB   THR  54           HB       THR  54 112.239  -8.043  -4.674
  367    HG1  THR  54           HG1      THR  54 113.252  -9.715  -3.848
  368   HG21  THR  54          HG21      THR  54 115.037  -7.461  -5.590
  369   HG22  THR  54          HG22      THR  54 113.528  -7.225  -6.471
  370   HG23  THR  54          HG23      THR  54 114.108  -8.857  -6.136
  371    H    ARG  55           HN       ARG  55 111.058  -6.703  -2.683
  372    HA   ARG  55           HA       ARG  55 111.641  -6.258   0.038
  373    HB2  ARG  55           HB2      ARG  55 109.369  -6.136  -1.167
  374    HB3  ARG  55           HB1      ARG  55 109.299  -7.883  -0.943
  375    HG2  ARG  55           HG2      ARG  55 109.382  -7.624   1.451
  376    HG3  ARG  55           HG1      ARG  55 109.605  -5.880   1.287
  377    HD2  ARG  55           HD2      ARG  55 107.377  -5.965  -0.027
  378    HD3  ARG  55           HD1      ARG  55 107.168  -7.535   0.747
  379    HE   ARG  55           HE       ARG  55 107.817  -5.482   2.621
  380   HH11  ARG  55          HH11      ARG  55 105.204  -6.883   0.782
  381   HH12  ARG  55          HH12      ARG  55 103.979  -6.364   1.891
  382   HH21  ARG  55          HH21      ARG  55 106.209  -4.799   4.081
  383   HH22  ARG  55          HH22      ARG  55 104.549  -5.180   3.764
  384    H    ASP  56           HN       ASP  56 111.739  -9.068  -1.983
  385    HA   ASP  56           HA       ASP  56 112.032 -10.895   0.258
  386    HB2  ASP  56           HB2      ASP  56 112.119 -11.427  -2.718
  387    HB3  ASP  56           HB1      ASP  56 112.100 -12.652  -1.453
  388    H    GLU  57           HN       GLU  57 114.053  -8.871  -1.487
  389    HA   GLU  57           HA       GLU  57 116.374 -10.653  -1.320
  390    HB2  GLU  57           HB2      GLU  57 115.935  -9.210  -3.363
  391    HB3  GLU  57           HB1      GLU  57 116.270  -7.809  -2.345
  392    HG2  GLU  57           HG2      GLU  57 118.384  -8.035  -2.979
  393    HG3  GLU  57           HG1      GLU  57 118.445  -9.435  -1.910
  394    H    TYR  58           HN       TYR  58 115.430  -7.376  -0.452
  395    HA   TYR  58           HA       TYR  58 117.477  -6.877   1.406
  396    HB2  TYR  58           HB2      TYR  58 114.846  -5.715   0.680
  397    HB3  TYR  58           HB1      TYR  58 115.456  -5.318   2.278
  398    HD1  TYR  58           HD1      TYR  58 117.836  -5.945  -0.392
  399    HD2  TYR  58           HD2      TYR  58 115.587  -2.941   1.607
  400    HE1  TYR  58           HE1      TYR  58 119.272  -4.219  -1.387
  401    HE2  TYR  58           HE2      TYR  58 117.019  -1.211   0.618
  402    HH   TYR  58           HH       TYR  58 118.791  -1.523  -1.927
  403    H    ASN  59           HN       ASN  59 114.379  -8.459   1.560
  404    HA   ASN  59           HA       ASN  59 113.863  -8.529   4.276
  405    HB2  ASN  59           HB2      ASN  59 113.070 -10.078   1.970
  406    HB3  ASN  59           HB1      ASN  59 113.250 -11.119   3.375
  407   HD21  ASN  59          HD21      ASN  59 112.281  -7.735   3.342
  408   HD22  ASN  59          HD22      ASN  59 110.692  -7.997   3.967
  409    H    ALA  60           HN       ALA  60 116.311 -10.288   2.504
  410    HA   ALA  60           HA       ALA  60 117.034 -11.745   4.956
  411    HB1  ALA  60           HB1      ALA  60 118.025 -12.341   2.180
  412    HB2  ALA  60           HB2      ALA  60 116.550 -13.039   2.850
  413    HB3  ALA  60           HB3      ALA  60 118.107 -13.370   3.611
  414    H    LEU  61           HN       LEU  61 118.238  -9.507   2.545
  415    HA   LEU  61           HA       LEU  61 120.968  -9.609   3.168
  416    HB2  LEU  61           HB2      LEU  61 119.150  -7.702   1.830
  417    HB3  LEU  61           HB1      LEU  61 120.656  -7.025   2.434
  418    HG   LEU  61           HG       LEU  61 120.856  -9.512   0.823
  419   HD11  LEU  61          HD11      LEU  61 120.551  -8.477  -1.262
  420   HD12  LEU  61          HD12      LEU  61 120.465  -6.868  -0.545
  421   HD13  LEU  61          HD13      LEU  61 119.145  -8.012  -0.305
  422   HD21  LEU  61          HD21      LEU  61 122.803  -8.200  -0.093
  423   HD22  LEU  61          HD22      LEU  61 122.883  -8.589   1.625
  424   HD23  LEU  61          HD23      LEU  61 122.430  -6.964   1.108
  425    HA   PRO  62           HA       PRO  62 121.739  -7.534   6.971
  426    HB2  PRO  62           HB2      PRO  62 122.999  -5.253   5.537
  427    HB3  PRO  62           HB1      PRO  62 123.648  -6.264   6.837
  428    HG2  PRO  62           HG2      PRO  62 124.464  -6.556   4.310
  429    HG3  PRO  62           HG1      PRO  62 124.278  -7.952   5.391
  430    HD2  PRO  62           HD2      PRO  62 122.544  -7.043   3.144
  431    HD3  PRO  62           HD1      PRO  62 122.885  -8.691   3.716
  432    H    ALA  63           HN       ALA  63 121.182  -5.663   8.266
  433    HA   ALA  63           HA       ALA  63 118.792  -4.351   7.263
  434    HB1  ALA  63           HB1      ALA  63 118.283  -5.004   9.369
  435    HB2  ALA  63           HB2      ALA  63 118.980  -3.434   9.769
  436    HB3  ALA  63           HB3      ALA  63 119.954  -4.896   9.924
  437    H    TRP  64           HN       TRP  64 122.109  -3.587   7.905
  438    HA   TRP  64           HA       TRP  64 121.630  -0.738   7.871
  439    HB2  TRP  64           HB2      TRP  64 123.622  -0.565   8.943
  440    HB3  TRP  64           HB1      TRP  64 123.527  -2.323   9.144
  441    HD1  TRP  64           HD1      TRP  64 125.482  -3.651   8.130
  442    HE1  TRP  64           HE1      TRP  64 127.335  -3.157   6.396
  443    HE3  TRP  64           HE3      TRP  64 124.009   1.009   6.727
  444    HZ2  TRP  64           HZ2      TRP  64 128.045  -1.032   4.640
  445    HZ3  TRP  64           HZ3      TRP  64 125.293   2.206   5.016
  446    HH2  TRP  64           HH2      TRP  64 127.248   1.208   3.993
  447    H    LYS  65           HN       LYS  65 123.262  -3.288   6.021
  448    HA   LYS  65           HA       LYS  65 124.199  -1.647   3.942
  449    HB2  LYS  65           HB2      LYS  65 124.420  -4.325   4.582
  450    HB3  LYS  65           HB1      LYS  65 123.443  -4.355   3.108
  451    HG2  LYS  65           HG2      LYS  65 125.163  -3.741   1.810
  452    HG3  LYS  65           HG1      LYS  65 125.777  -2.579   2.996
  453    HD2  LYS  65           HD2      LYS  65 126.404  -4.788   4.304
  454    HD3  LYS  65           HD1      LYS  65 126.372  -5.482   2.682
  455    HE2  LYS  65           HE2      LYS  65 127.850  -3.422   2.076
  456    HE3  LYS  65           HE1      LYS  65 128.164  -3.373   3.811
  457    HZ1  LYS  65           HZ1      LYS  65 129.317  -5.317   3.753
  458    HZ2  LYS  65           HZ2      LYS  65 129.659  -4.768   2.190
  459    HZ3  LYS  65           HZ3      LYS  65 128.461  -5.938   2.431
  460    H    GLN  66           HN       GLN  66 121.200  -3.462   4.400
  461    HA   GLN  66           HA       GLN  66 120.071  -2.852   1.895
  462    HB2  GLN  66           HB2      GLN  66 117.953  -3.499   2.839
  463    HB3  GLN  66           HB1      GLN  66 119.183  -4.582   3.469
  464    HG2  GLN  66           HG2      GLN  66 119.200  -3.415   5.572
  465    HG3  GLN  66           HG1      GLN  66 118.085  -2.202   4.946
  466   HE21  GLN  66          HE21      GLN  66 117.824  -5.638   4.280
  467   HE22  GLN  66          HE22      GLN  66 116.373  -5.891   5.175
  468    H    VAL  67           HN       VAL  67 120.061  -1.241   5.039
  469    HA   VAL  67           HA       VAL  67 118.423   0.943   4.265
  470    HB   VAL  67           HB       VAL  67 120.443   0.608   6.485
  471   HG11  VAL  67          HG11      VAL  67 119.078   3.064   5.546
  472   HG12  VAL  67          HG12      VAL  67 120.624   2.870   6.372
  473   HG13  VAL  67          HG13      VAL  67 119.119   2.785   7.287
  474   HG21  VAL  67          HG21      VAL  67 117.519   1.111   6.824
  475   HG22  VAL  67          HG22      VAL  67 118.643   0.261   7.884
  476   HG23  VAL  67          HG23      VAL  67 118.087  -0.502   6.395
  477    H    ASN  68           HN       ASN  68 121.944   0.342   4.268
  478    HA   ASN  68           HA       ASN  68 123.019   2.757   3.653
  479    HB2  ASN  68           HB2      ASN  68 124.115   0.423   3.674
  480    HB3  ASN  68           HB1      ASN  68 123.708   0.362   1.964
  481   HD21  ASN  68          HD21      ASN  68 125.881   0.299   1.383
  482   HD22  ASN  68          HD22      ASN  68 126.890   1.699   1.464
  483    H    LEU  69           HN       LEU  69 121.243   0.695   1.394
  484    HA   LEU  69           HA       LEU  69 121.648   2.404  -0.855
  485    HB2  LEU  69           HB2      LEU  69 120.295  -0.110  -0.274
  486    HB3  LEU  69           HB1      LEU  69 119.421   0.881  -1.435
  487    HG   LEU  69           HG       LEU  69 120.826  -0.601  -2.663
  488   HD11  LEU  69          HD11      LEU  69 121.833   0.899  -4.071
  489   HD12  LEU  69          HD12      LEU  69 122.472   1.879  -2.751
  490   HD13  LEU  69          HD13      LEU  69 120.761   1.970  -3.170
  491   HD21  LEU  69          HD21      LEU  69 123.321   0.433  -1.407
  492   HD22  LEU  69          HD22      LEU  69 123.014  -1.110  -2.203
  493   HD23  LEU  69          HD23      LEU  69 122.400  -0.820  -0.576
  494    H    LYS  70           HN       LYS  70 118.906   1.860   1.362
  495    HA   LYS  70           HA       LYS  70 116.980   3.418   0.195
  496    HB2  LYS  70           HB2      LYS  70 117.615   2.678   2.987
  497    HB3  LYS  70           HB1      LYS  70 116.603   4.107   2.791
  498    HG2  LYS  70           HG2      LYS  70 114.824   2.918   2.174
  499    HG3  LYS  70           HG1      LYS  70 115.770   1.847   1.149
  500    HD2  LYS  70           HD2      LYS  70 116.202   1.522   4.040
  501    HD3  LYS  70           HD1      LYS  70 114.587   1.099   3.470
  502    HE2  LYS  70           HE2      LYS  70 115.422  -0.552   2.022
  503    HE3  LYS  70           HE1      LYS  70 117.070   0.055   2.150
  504    HZ1  LYS  70           HZ1      LYS  70 116.818  -1.941   3.445
  505    HZ2  LYS  70           HZ2      LYS  70 115.521  -1.275   4.302
  506    HZ3  LYS  70           HZ3      LYS  70 117.074  -0.629   4.484
  507    H    LYS  71           HN       LYS  71 119.550   4.546   2.377
  508    HA   LYS  71           HA       LYS  71 118.859   7.278   2.272
  509    HB2  LYS  71           HB2      LYS  71 121.613   6.116   2.725
  510    HB3  LYS  71           HB1      LYS  71 121.040   7.700   3.228
  511    HG2  LYS  71           HG2      LYS  71 119.501   6.687   4.794
  512    HG3  LYS  71           HG1      LYS  71 119.968   5.076   4.244
  513    HD2  LYS  71           HD2      LYS  71 122.052   5.196   5.243
  514    HD3  LYS  71           HD1      LYS  71 122.052   6.961   5.265
  515    HE2  LYS  71           HE2      LYS  71 120.362   6.961   7.012
  516    HE3  LYS  71           HE1      LYS  71 120.287   5.196   6.962
  517    HZ1  LYS  71           HZ1      LYS  71 122.776   5.334   7.491
  518    HZ2  LYS  71           HZ2      LYS  71 121.679   5.642   8.741
  519    HZ3  LYS  71           HZ3      LYS  71 122.457   6.927   7.965
  520    H    ALA  72           HN       ALA  72 120.907   5.240   0.269
  521    HA   ALA  72           HA       ALA  72 122.188   7.221  -1.233
  522    HB1  ALA  72           HB1      ALA  72 122.991   5.519  -2.489
  523    HB2  ALA  72           HB2      ALA  72 121.412   4.752  -2.655
  524    HB3  ALA  72           HB3      ALA  72 122.343   4.542  -1.172
  525    H    LYS  73           HN       LYS  73 119.028   5.694  -1.618
  526    HA   LYS  73           HA       LYS  73 118.481   7.244  -4.022
  527    HB2  LYS  73           HB2      LYS  73 117.711   4.746  -3.279
  528    HB3  LYS  73           HB1      LYS  73 116.300   5.681  -2.782
  529    HG2  LYS  73           HG2      LYS  73 115.586   5.532  -4.875
  530    HG3  LYS  73           HG1      LYS  73 116.898   6.622  -5.327
  531    HD2  LYS  73           HD2      LYS  73 117.451   3.701  -5.064
  532    HD3  LYS  73           HD1      LYS  73 116.626   4.295  -6.506
  533    HE2  LYS  73           HE2      LYS  73 118.599   6.057  -6.462
  534    HE3  LYS  73           HE1      LYS  73 119.407   4.771  -5.567
  535    HZ1  LYS  73           HZ1      LYS  73 119.951   4.114  -7.637
  536    HZ2  LYS  73           HZ2      LYS  73 118.631   4.878  -8.367
  537    HZ3  LYS  73           HZ3      LYS  73 118.424   3.386  -7.600
  538    H    GLY  74           HN       GLY  74 117.828   7.293  -0.619
  539    HA2  GLY  74           HA2      GLY  74 117.204   9.307   0.476
  540    HA3  GLY  74           HA1      GLY  74 116.379   9.817  -0.994
  541    H    LEU  75           HN       LEU  75 115.858   6.568   0.128
  542    HA   LEU  75           HA       LEU  75 113.070   7.164   0.519
  543    HB2  LEU  75           HB2      LEU  75 114.662   4.615   0.777
  544    HB3  LEU  75           HB1      LEU  75 112.950   4.709   1.163
  545    HG   LEU  75           HG       LEU  75 114.108   5.376  -1.545
  546   HD11  LEU  75          HD11      LEU  75 113.934   3.239  -2.172
  547   HD12  LEU  75          HD12      LEU  75 112.423   3.004  -1.293
  548   HD13  LEU  75          HD13      LEU  75 113.965   2.876  -0.447
  549   HD21  LEU  75          HD21      LEU  75 111.874   6.395  -0.733
  550   HD22  LEU  75          HD22      LEU  75 111.242   4.761  -0.921
  551   HD23  LEU  75          HD23      LEU  75 111.923   5.607  -2.309
  552    H    PHE  76           HN       PHE  76 115.008   5.122   2.687
  553    HA   PHE  76           HA       PHE  76 113.647   5.483   4.988
  554    HB2  PHE  76           HB2      PHE  76 116.403   4.822   4.402
  555    HB3  PHE  76           HB1      PHE  76 116.266   5.690   5.923
  556    HD1  PHE  76           HD2      PHE  76 114.281   3.085   4.158
  557    HD2  PHE  76           HD1      PHE  76 116.189   4.312   7.754
  558    HE1  PHE  76           HE2      PHE  76 113.526   1.022   5.251
  559    HE2  PHE  76           HE1      PHE  76 115.429   2.248   8.864
  560    HZ   PHE  76           HZ       PHE  76 114.098   0.598   7.611


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