NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1437 1akx cing 1-original 8 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G  16          1H5*        G  16   3.188  23.118  -4.860
    2   2H5*    G  16          2H5*        G  16   1.453  22.795  -5.013
    3    H4*    G  16           H4*        G  16   2.726  24.566  -2.933
    4    H3*    G  16           H3*        G  16   1.941  21.671  -2.780
    5   1H2*    G  16          1H2*        G  16   1.064  22.036  -0.582
    6   2HO*    G  16          2HO*        G  16   2.538  23.343   0.395
    7    H1*    G  16           H1*        G  16  -0.190  24.479  -1.155
    8    H8     G  16           H8         G  16  -0.711  22.286  -4.117
    9    H1     G  16           H1         G  16  -4.627  20.912   0.796
   10   1H2     G  16           H21        G  16  -2.534  22.985   2.631
   11   2H2     G  16           H22        G  16  -3.947  21.954   2.615
   12    H5T    G  16           H5T        G  16   2.776  25.299  -5.254
   13   1H5*    G  17          1H5*        G  17   4.211  19.662   1.372
   14   2H5*    G  17          2H5*        G  17   2.801  19.257   0.372
   15    H4*    G  17           H4*        G  17   2.910  20.919   2.877
   16    H3*    G  17           H3*        G  17   1.678  18.258   2.242
   17   1H2*    G  17          1H2*        G  17  -0.188  18.795   3.665
   18   2HO*    G  17          2HO*        G  17   0.147  20.096   5.307
   19    H1*    G  17           H1*        G  17  -0.610  21.318   2.615
   20    H8     G  17           H8         G  17   0.513  19.794  -0.449
   21    H1     G  17           H1         G  17  -5.147  17.354   1.386
   22   1H2     G  17           H21        G  17  -4.425  18.821   4.450
   23   2H2     G  17           H22        G  17  -5.542  17.876   3.492
   24   1H5*    C  18          1H5*        C  18   0.956  18.698   6.231
   25   2H5*    C  18          2H5*        C  18   1.623  17.307   7.106
   26    H4*    C  18           H4*        C  18  -0.681  17.692   7.724
   27    H3*    C  18           H3*        C  18  -0.112  15.124   6.272
   28   1H2*    C  18          1H2*        C  18  -2.430  14.568   6.390
   29   2HO*    C  18          2HO*        C  18  -3.477  15.118   8.145
   30    H1*    C  18           H1*        C  18  -3.399  17.192   5.918
   31   1H4     C  18           H41        C  18  -2.317  14.556  -0.039
   32   2H4     C  18           H42        C  18  -3.985  14.190   0.342
   33    H5     C  18           H5         C  18  -0.802  15.597   1.541
   34    H6     C  18           H6         C  18  -0.586  16.498   3.797
   35   1H5*    C  19          1H5*        C  19  -1.715  11.241   8.481
   36   2H5*    C  19          2H5*        C  19  -1.732  12.010   6.883
   37    H4*    C  19           H4*        C  19  -4.033  12.057   8.830
   38    H3*    C  19           H3*        C  19  -3.436  10.052   6.682
   39   1H2*    C  19          1H2*        C  19  -5.754  10.061   6.039
   40   2HO*    C  19          2HO*        C  19  -7.281  10.649   7.409
   41    H1*    C  19           H1*        C  19  -6.016  12.814   5.986
   42   1H4     C  19           H41        C  19  -2.357  11.626   0.635
   43   2H4     C  19           H42        C  19  -3.943  11.037   0.190
   44    H5     C  19           H5         C  19  -1.804  12.356   2.879
   45    H6     C  19           H6         C  19  -2.662  12.678   5.138
   46   1H5*    A  20          1H5*        A  20  -6.892   8.561   8.154
   47   2H5*    A  20          2H5*        A  20  -6.696   6.836   8.520
   48    H4*    A  20           H4*        A  20  -8.541   7.175   7.007
   49    H3*    A  20           H3*        A  20  -6.179   5.720   5.838
   50   1H2*    A  20          1H2*        A  20  -7.425   5.490   3.799
   51   2HO*    A  20          2HO*        A  20  -9.546   5.407   3.858
   52    H1*    A  20           H1*        A  20  -8.376   8.130   3.781
   53    H8     A  20           H8         A  20  -4.932   8.597   4.924
   54   1H6     A  20           H61        A  20  -2.560   8.282   0.686
   55   2H6     A  20           H62        A  20  -3.024   7.731  -0.908
   56    H2     A  20           H2         A  20  -7.316   6.436  -0.643
   57   1H5*    G  21          1H5*        G  21  -9.690   3.491   4.865
   58   2H5*    G  21          2H5*        G  21  -9.289   1.765   4.786
   59    H4*    G  21           H4*        G  21 -10.217   2.770   2.689
   60    H3*    G  21           H3*        G  21  -7.582   1.313   2.636
   61   1H2*    G  21          1H2*        G  21  -7.545   1.672   0.252
   62   2HO*    G  21          2HO*        G  21  -9.871   1.343  -0.008
   63    H1*    G  21           H1*        G  21  -8.301   4.363   0.413
   64    H8     G  21           H8         G  21  -6.070   3.881   3.312
   65    H1     G  21           H1         G  21  -2.885   4.108  -2.269
   66   1H2     G  21           H21        G  21  -6.021   3.697  -3.699
   67   2H2     G  21           H22        G  21  -4.300   3.889  -3.945
   68   1H5*    A  22          1H5*        A  22  -9.896  -1.942  -1.525
   69   2H5*    A  22          2H5*        A  22  -8.255  -2.110  -0.873
   70    H4*    A  22           H4*        A  22  -9.301  -0.244  -2.962
   71    H3*    A  22           H3*        A  22  -7.012  -2.186  -2.828
   72   1H2*    A  22          1H2*        A  22  -5.731  -0.772  -4.253
   73   2HO*    A  22          2HO*        A  22  -8.276   0.222  -4.926
   74    H1*    A  22           H1*        A  22  -6.657   1.690  -3.167
   75    H8     A  22           H8         A  22  -5.822   0.076  -0.094
   76   1H6     A  22           H61        A  22  -0.975   0.432  -0.091
   77   2H6     A  22           H62        A  22   0.202   0.790  -1.335
   78    H2     A  22           H2         A  22  -2.080   1.416  -5.149
   79   1H5*    U  23          1H5*        U  23  -8.129  -5.940  -5.866
   80   2H5*    U  23          2H5*        U  23  -7.300  -4.963  -4.639
   81    H4*    U  23           H4*        U  23  -7.815  -3.200  -6.732
   82    H3*    U  23           H3*        U  23  -8.061  -5.489  -8.112
   83   1H2*    U  23          1H2*        U  23  -5.969  -6.482  -7.399
   84   2HO*    U  23          2HO*        U  23  -4.918  -6.577  -9.260
   85    H1*    U  23           H1*        U  23  -4.641  -3.751  -7.822
   86    H3     U  23           H3         U  23  -0.881  -6.260  -7.028
   87    H5     U  23           H5         U  23  -2.984  -6.176  -3.385
   88    H6     U  23           H6         U  23  -4.840  -5.195  -4.567
   89   1H5*    U  25          1H5*        U  25 -10.535  -1.271  -7.532
   90   2H5*    U  25          2H5*        U  25 -10.732  -1.528  -9.277
   91    H4*    U  25           H4*        U  25  -9.401   0.376  -9.788
   92    H3*    U  25           H3*        U  25  -7.975   0.126  -7.481
   93   1H2*    U  25          1H2*        U  25  -9.755   0.934  -6.036
   94   2HO*    U  25          2HO*        U  25  -8.191   2.390  -5.521
   95    H1*    U  25           H1*        U  25 -10.279   2.968  -8.276
   96    H3     U  25           H3         U  25 -13.690   5.103  -6.348
   97    H5     U  25           H5         U  25 -13.885   1.300  -4.563
   98    H6     U  25           H6         U  25 -11.962   0.669  -5.870
   99   1H5*    G  26          1H5*        G  26  -6.241  -1.942 -10.442
  100   2H5*    G  26          2H5*        G  26  -5.554  -1.361  -8.914
  101    H4*    G  26           H4*        G  26  -4.679  -0.506 -11.668
  102    H3*    G  26           H3*        G  26  -3.594  -2.676  -9.917
  103   1H2*    G  26          1H2*        G  26  -1.352  -2.000 -10.455
  104   2HO*    G  26          2HO*        G  26  -1.069  -1.246 -12.421
  105    H1*    G  26           H1*        G  26  -1.754   0.706 -10.073
  106    H8     G  26           H8         G  26  -4.010  -0.913  -7.610
  107    H1     G  26           H1         G  26   2.146  -0.938  -5.769
  108   1H2     G  26           H21        G  26   2.809  -0.002  -9.043
  109   2H2     G  26           H22        G  26   3.444  -0.385  -7.458
  110   1H5*    A  27          1H5*        A  27  -0.626  -5.761 -11.988
  111   2H5*    A  27          2H5*        A  27  -0.944  -5.081 -10.380
  112    H4*    A  27           H4*        A  27   1.076  -4.052 -12.369
  113    H3*    A  27           H3*        A  27   1.436  -5.918 -10.051
  114   1H2*    A  27          1H2*        A  27   3.474  -4.783  -9.462
  115   2HO*    A  27          2HO*        A  27   4.597  -3.911 -11.036
  116    H1*    A  27           H1*        A  27   2.432  -2.231  -9.630
  117    H8     A  27           H8         A  27  -0.575  -3.888  -8.478
  118   1H6     A  27           H61        A  27   0.406  -4.462  -3.755
  119   2H6     A  27           H62        A  27   1.871  -4.328  -2.808
  120    H2     A  27           H2         A  27   5.168  -3.227  -5.653
  121   1H5*    G  28          1H5*        G  28   5.033  -6.025 -12.033
  122   2H5*    G  28          2H5*        G  28   5.810  -7.619 -12.067
  123    H4*    G  28           H4*        G  28   7.180  -5.943 -10.946
  124    H3*    G  28           H3*        G  28   6.246  -8.291  -9.321
  125   1H2*    G  28          1H2*        G  28   7.402  -7.393  -7.423
  126   2HO*    G  28          2HO*        G  28   8.867  -6.163  -9.373
  127    H1*    G  28           H1*        G  28   6.576  -4.748  -7.802
  128    H8     G  28           H8         G  28   3.561  -6.639  -8.675
  129    H1     G  28           H1         G  28   4.694  -6.673  -2.348
  130   1H2     G  28           H21        G  28   7.845  -5.511  -3.224
  131   2H2     G  28           H22        G  28   6.749  -5.988  -1.947
  132   1H5*    C  29          1H5*        C  29  10.228  -8.081  -8.507
  133   2H5*    C  29          2H5*        C  29  10.984  -9.673  -8.310
  134    H4*    C  29           H4*        C  29  11.124  -8.319  -6.284
  135    H3*    C  29           H3*        C  29   9.582 -10.893  -6.124
  136   1H2*    C  29          1H2*        C  29   9.150 -10.442  -3.808
  137   2HO*    C  29          2HO*        C  29  11.249  -8.565  -4.145
  138    H1*    C  29           H1*        C  29   8.649  -7.683  -4.144
  139   1H4     C  29           H41        C  29   2.939 -10.598  -5.681
  140   2H4     C  29           H42        C  29   2.896 -10.416  -3.942
  141    H5     C  29           H5         C  29   4.897 -10.108  -7.010
  142    H6     C  29           H6         C  29   7.205  -9.326  -6.946
  143   1H5*    C  30          1H5*        C  30  11.891 -10.695  -2.605
  144   2H5*    C  30          2H5*        C  30  12.720 -12.254  -2.433
  145    H4*    C  30           H4*        C  30  11.382 -11.507  -0.458
  146    H3*    C  30           H3*        C  30  11.802 -14.070  -1.257
  147   1H2*    C  30          1H2*        C  30   9.721 -14.341  -2.446
  148   2HO*    C  30          2HO*        C  30   8.714 -14.747   0.170
  149    H1*    C  30           H1*        C  30   8.399 -12.730  -0.195
  150   1H4     C  30           H41        C  30   4.316 -12.882  -5.434
  151   2H4     C  30           H42        C  30   3.333 -13.034  -3.996
  152    H5     C  30           H5         C  30   6.734 -12.703  -5.363
  153    H6     C  30           H6         C  30   8.688 -12.664  -3.902
  154   1H5*    U  31          1H5*        U  31  10.903 -16.299   0.454
  155   2H5*    U  31          2H5*        U  31  12.231 -17.371   0.929
  156    H4*    U  31           H4*        U  31  11.003 -17.571  -1.400
  157    H3*    U  31           H3*        U  31  13.254 -18.763  -0.455
  158   1H2*    U  31          1H2*        U  31  14.806 -17.106  -1.277
  159   2HO*    U  31          2HO*        U  31  15.500 -17.872  -3.425
  160    H1*    U  31           H1*        U  31  13.063 -16.960  -3.797
  161    H3     U  31           H3         U  31  16.046 -14.186  -5.710
  162    H5     U  31           H5         U  31  15.511 -12.538  -1.877
  163    H6     U  31           H6         U  31  14.139 -14.442  -1.330
  164   1H5*    G  32          1H5*        G  32  13.858 -19.986   0.693
  165   2H5*    G  32          2H5*        G  32  14.302 -21.690   0.774
  166    H4*    G  32           H4*        G  32  11.698 -21.052  -0.493
  167    H3*    G  32           H3*        G  32  11.786 -19.668   1.701
  168   1H2*    G  32          1H2*        G  32  12.932 -21.283   3.098
  169   2HO*    G  32          2HO*        G  32  10.131 -21.447   3.373
  170    H1*    G  32           H1*        G  32  11.090 -23.535   2.215
  171    H8     G  32           H8         G  32  14.748 -22.382   2.691
  172    H1     G  32           H1         G  32  13.613 -28.633   3.678
  173   1H2     G  32           H21        G  32  10.382 -27.889   2.652
  174   2H2     G  32           H22        G  32  11.512 -29.102   3.208
  175   1H5*    G  33          1H5*        G  33   7.951 -21.131  -1.260
  176   2H5*    G  33          2H5*        G  33   6.954 -19.664  -1.319
  177    H4*    G  33           H4*        G  33   5.346 -21.266  -1.268
  178    H3*    G  33           H3*        G  33   5.321 -19.825   1.009
  179   1H2*    G  33          1H2*        G  33   6.640 -21.347   2.345
  180   2HO*    G  33          2HO*        G  33   3.940 -22.262   2.495
  181    H1*    G  33           H1*        G  33   5.101 -23.671   1.081
  182    H8     G  33           H8         G  33   8.805 -23.357   0.689
  183    H1     G  33           H1         G  33   7.038 -27.164   5.564
  184   1H2     G  33           H21        G  33   3.866 -25.863   5.005
  185   2H2     G  33           H22        G  33   4.874 -26.942   5.942
  186   1H5*    G  34          1H5*        G  34   4.558 -18.743   2.575
  187   2H5*    G  34          2H5*        G  34   4.538 -19.863   3.949
  188    H4*    G  34           H4*        G  34   2.886 -18.636   5.075
  189    H3*    G  34           H3*        G  34   1.641 -17.906   2.814
  190   1H2*    G  34          1H2*        G  34   3.401 -16.425   2.016
  191   2HO*    G  34          2HO*        G  34   1.951 -14.862   1.895
  192    H1*    G  34           H1*        G  34   3.568 -15.332   4.879
  193    H8     G  34           H8         G  34   4.489 -14.241   1.759
  194    H1     G  34           H1         G  34   9.857 -14.861   5.243
  195   1H2     G  34           H21        G  34   7.902 -16.833   7.326
  196   2H2     G  34           H22        G  34   9.472 -16.137   6.998
  197   1H5*    A  35          1H5*        A  35  -2.769 -16.100   5.959
  198   2H5*    A  35          2H5*        A  35  -2.272 -16.642   4.345
  199    H4*    A  35           H4*        A  35  -0.867 -14.451   5.858
  200    H3*    A  35           H3*        A  35  -3.366 -13.901   5.190
  201   1H2*    A  35          1H2*        A  35  -3.240 -14.860   2.942
  202   2HO*    A  35          2HO*        A  35  -2.644 -12.071   2.812
  203    H1*    A  35           H1*        A  35  -0.644 -13.278   2.552
  204    H8     A  35           H8         A  35  -1.848 -16.942   2.107
  205   1H6     A  35           H61        A  35  -0.412 -17.460  -2.520
  206   2H6     A  35           H62        A  35   0.331 -16.372  -3.670
  207    H2     A  35           H2         A  35   0.865 -12.431  -1.589
  208   1H5*    G  36          1H5*        G  36   0.379  -9.875   5.881
  209   2H5*    G  36          2H5*        G  36   0.188 -11.025   4.543
  210    H4*    G  36           H4*        G  36   2.342 -11.428   6.576
  211    H3*    G  36           H3*        G  36   2.418  -9.318   4.449
  212   1H2*    G  36          1H2*        G  36   4.680  -9.948   3.914
  213   2HO*    G  36          2HO*        G  36   5.878 -10.788   5.453
  214    H1*    G  36           H1*        G  36   4.163 -12.650   3.745
  215    H8     G  36           H8         G  36   0.955 -11.883   2.538
  216    H1     G  36           H1         G  36   5.325  -9.576  -1.569
  217   1H2     G  36           H21        G  36   7.563 -10.000   1.045
  218   2H2     G  36           H22        G  36   7.301  -9.492  -0.609
  219   1H5*    C  37          1H5*        C  37   5.756  -8.356   6.196
  220   2H5*    C  37          2H5*        C  37   5.883  -6.655   6.685
  221    H4*    C  37           H4*        C  37   7.671  -7.203   5.185
  222    H3*    C  37           H3*        C  37   5.624  -5.308   4.055
  223   1H2*    C  37          1H2*        C  37   6.939  -5.190   2.047
  224   2HO*    C  37          2HO*        C  37   9.038  -5.226   2.472
  225    H1*    C  37           H1*        C  37   7.412  -7.947   1.885
  226   1H4     C  37           H41        C  37   1.259  -7.272  -0.373
  227   2H4     C  37           H42        C  37   2.254  -6.680  -1.685
  228    H5     C  37           H5         C  37   2.154  -7.848   1.804
  229    H6     C  37           H6         C  37   4.178  -7.970   3.158
  230   1H5*    U  38          1H5*        U  38   9.437  -3.575   3.142
  231   2H5*    U  38          2H5*        U  38   9.277  -1.820   3.343
  232    H4*    U  38           H4*        U  38  10.043  -2.531   1.097
  233    H3*    U  38           H3*        U  38   7.515  -0.906   1.312
  234   1H2*    U  38          1H2*        U  38   7.409  -0.922  -1.081
  235   2HO*    U  38          2HO*        U  38   9.466  -0.571  -1.755
  236    H1*    U  38           H1*        U  38   8.225  -3.628  -1.355
  237    H3     U  38           H3         U  38   3.938  -3.362  -2.899
  238    H5     U  38           H5         U  38   3.600  -3.641   1.284
  239    H6     U  38           H6         U  38   5.985  -3.345   1.423
  240   1H5*    C  39          1H5*        C  39   8.751   3.124  -1.998
  241   2H5*    C  39          2H5*        C  39   7.301   2.215  -1.528
  242    H4*    C  39           H4*        C  39   9.235   1.553  -3.744
  243    H3*    C  39           H3*        C  39   6.467   2.710  -3.793
  244   1H2*    C  39          1H2*        C  39   5.967   1.386  -5.740
  245   2HO*    C  39          2HO*        C  39   7.688   1.193  -7.015
  246    H1*    C  39           H1*        C  39   6.954  -0.980  -4.717
  247   1H4     C  39           H41        C  39   1.425  -0.192  -1.235
  248   2H4     C  39           H42        C  39   0.845  -0.587  -2.837
  249    H5     C  39           H5         C  39   3.752   0.257  -0.749
  250    H6     C  39           H6         C  39   5.996   0.400  -1.695
  251   1H5*    U  40          1H5*        U  40   6.956   5.049  -7.300
  252   2H5*    U  40          2H5*        U  40   5.640   6.195  -6.978
  253    H4*    U  40           H4*        U  40   5.365   3.920  -8.387
  254    H3*    U  40           H3*        U  40   3.298   5.426  -6.798
  255   1H2*    U  40          1H2*        U  40   1.731   3.684  -7.320
  256   2HO*    U  40          2HO*        U  40   2.148   2.138  -8.882
  257    H1*    U  40           H1*        U  40   3.531   1.568  -6.875
  258    H3     U  40           H3         U  40   0.086   2.009  -3.700
  259    H5     U  40           H5         U  40   3.634   3.554  -2.066
  260    H6     U  40           H6         U  40   4.611   3.442  -4.265
  261   1H5*    C  41          1H5*        C  41   1.056   4.782 -10.389
  262   2H5*    C  41          2H5*        C  41   0.040   6.225 -10.578
  263    H4*    C  41           H4*        C  41  -1.169   4.050 -10.242
  264    H3*    C  41           H3*        C  41  -1.736   6.435  -8.501
  265   1H2*    C  41          1H2*        C  41  -3.346   5.133  -7.308
  266   2HO*    C  41          2HO*        C  41  -4.434   4.072  -8.912
  267    H1*    C  41           H1*        C  41  -1.835   2.736  -7.297
  268   1H4     C  41           H41        C  41   0.422   5.970  -2.046
  269   2H4     C  41           H42        C  41  -1.143   5.379  -1.531
  270    H5     C  41           H5         C  41   1.195   5.828  -4.341
  271    H6     C  41           H6         C  41   0.632   5.072  -6.589
  272   1H5*    U  42          1H5*        U  42  -6.004   4.918  -9.907
  273   2H5*    U  42          2H5*        U  42  -6.763   6.520  -9.986
  274    H4*    U  42           H4*        U  42  -7.806   4.733  -8.474
  275    H3*    U  42           H3*        U  42  -7.328   7.574  -7.611
  276   1H2*    U  42          1H2*        U  42  -8.261   7.028  -5.476
  277   2HO*    U  42          2HO*        U  42  -9.078   4.596  -6.729
  278    H1*    U  42           H1*        U  42  -6.993   4.519  -5.249
  279    H3     U  42           H3         U  42  -5.362   7.454  -2.096
  280    H5     U  42           H5         U  42  -2.970   7.942  -5.517
  281    H6     U  42           H6         U  42  -4.555   6.595  -6.726
  282   1H5*    G  43          1H5*        G  43 -11.424   6.497  -6.263
  283   2H5*    G  43          2H5*        G  43 -12.323   8.019  -6.392
  284    H4*    G  43           H4*        G  43 -12.261   6.959  -4.121
  285    H3*    G  43           H3*        G  43 -11.405   9.819  -4.501
  286   1H2*    G  43          1H2*        G  43 -11.019   9.948  -2.139
  287   2HO*    G  43          2HO*        G  43 -12.477   8.939  -0.969
  288    H1*    G  43           H1*        G  43  -9.936   7.323  -1.904
  289    H8     G  43           H8         G  43  -8.326   8.884  -4.845
  290    H1     G  43           H1         G  43  -5.938  11.012   0.732
  291   1H2     G  43           H21        G  43  -8.727   9.503   2.141
  292   2H2     G  43           H22        G  43  -7.261  10.424   2.392
  293   1H5*    G  44          1H5*        G  44 -14.414  12.754  -1.728
  294   2H5*    G  44          2H5*        G  44 -12.691  12.901  -2.134
  295    H4*    G  44           H4*        G  44 -13.958  11.916   0.404
  296    H3*    G  44           H3*        G  44 -12.181  14.246  -0.244
  297   1H2*    G  44          1H2*        G  44 -11.102  13.993   1.893
  298   2HO*    G  44          2HO*        G  44 -13.146  13.362   2.971
  299    H1*    G  44           H1*        G  44 -10.728  11.256   1.679
  300    H8     G  44           H8         G  44 -10.311  11.996  -1.817
  301    H1     G  44           H1         G  44  -5.498  14.492   1.640
  302   1H2     G  44           H21        G  44  -7.576  13.920   4.360
  303   2H2     G  44           H22        G  44  -6.039  14.515   3.776
  304   1H5*    C  45          1H5*        C  45 -13.536  15.254   3.435
  305   2H5*    C  45          2H5*        C  45 -14.116  16.927   3.547
  306    H4*    C  45           H4*        C  45 -12.371  16.530   5.159
  307    H3*    C  45           H3*        C  45 -11.682  18.453   2.954
  308   1H2*    C  45          1H2*        C  45  -9.528  18.756   3.950
  309   2HO*    C  45          2HO*        C  45 -10.342  18.805   6.146
  310    H1*    C  45           H1*        C  45  -9.118  16.035   4.567
  311   1H4     C  45           H41        C  45  -7.459  16.619  -1.792
  312   2H4     C  45           H42        C  45  -6.033  17.116  -0.909
  313    H5     C  45           H5         C  45  -9.574  16.135  -0.713
  314    H6     C  45           H6         C  45 -10.747  16.042   1.423
  315   1H5*    C  46          1H5*        C  46 -11.466  21.183   6.425
  316   2H5*    C  46          2H5*        C  46 -11.668  22.831   5.801
  317    H4*    C  46           H4*        C  46  -9.404  22.251   6.719
  318    H3*    C  46           H3*        C  46  -9.700  23.417   3.965
  319   1H2*    C  46          1H2*        C  46  -7.317  23.361   3.753
  320   2HO*    C  46          2HO*        C  46  -6.145  23.697   5.484
  321    H1*    C  46           H1*        C  46  -6.990  20.836   5.003
  322   1H4     C  46           H41        C  46  -8.479  19.591  -1.313
  323   2H4     C  46           H42        C  46  -6.732  19.638  -1.238
  324    H5     C  46           H5         C  46  -9.896  20.146   0.579
  325    H6     C  46           H6         C  46  -9.911  20.861   2.916
  326    H3T    C  46           H3T        C  46 -10.069  24.922   5.334
  327   1H    ARG  47          2H        ARG  47  -1.001  -4.872   4.189
  328   2H    ARG  47          1H        ARG  47  -2.673  -5.010   3.921
  329   3H    ARG  47          3H        ARG  47  -1.735  -6.404   4.150
  330    HA   ARG  47           HA       ARG  47  -2.224  -6.200   1.829
  331   1HB   ARG  47          2HB       ARG  47  -1.951  -3.427   2.416
  332   2HB   ARG  47          1HB       ARG  47  -0.721  -3.824   1.217
  333   1HG   ARG  47          2HG       ARG  47  -2.804  -5.170   0.153
  334   2HG   ARG  47          1HG       ARG  47  -3.688  -3.885   0.981
  335   1HD   ARG  47          2HD       ARG  47  -1.862  -2.335  -0.135
  336   2HD   ARG  47          1HD       ARG  47  -1.709  -3.684  -1.262
  337    HE   ARG  47           HE       ARG  47  -4.409  -2.537  -0.738
  338   1HH1  ARG  47          1HH1      ARG  47  -1.808  -1.794  -2.681
  339   2HH1  ARG  47          2HH1      ARG  47  -2.621  -2.038  -4.188
  340   1HH2  ARG  47          1HH2      ARG  47  -5.434  -3.472  -2.753
  341   2HH2  ARG  47          2HH2      ARG  47  -4.678  -2.978  -4.230
   
  No H/Q in entry =         341


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