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
1117 1a60 4120 cing 1-original 22 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  61.047  39.524-113.059
    2   2H5*    G   1          2H5*        G   1  61.728  40.502-111.736
    3    H4*    G   1           H4*        G   1  61.960  37.801-111.914
    4    H3*    G   1           H3*        G   1  59.330  38.420-110.672
    5   1H2*    G   1          1H2*        G   1  59.678  37.175-108.724
    6   2HO*    G   1          2HO*        G   1  61.509  35.847-110.357
    7    H1*    G   1           H1*        G   1  62.212  37.798-108.232
    8    H8     G   1           H8         G   1  60.921  40.926-109.744
    9    H1     G   1           H1         G   1  59.747  40.519-103.499
   10   1H2     G   1          1H2         G   1  60.346  37.119-103.879
   11   2H2     G   1          2H2         G   1  59.925  38.438-102.804
   12    H5T    G   1           H5T        G   1  59.542  40.980-112.127
   13   1H5*    G   2          1H5*        G   2  56.780  34.623-110.446
   14   2H5*    G   2          2H5*        G   2  58.502  34.926-110.269
   15    H4*    G   2           H4*        G   2  57.651  34.757-108.074
   16    H3*    G   2           H3*        G   2  55.439  36.556-109.056
   17   1H2*    G   2          1H2*        G   2  55.233  37.452-106.933
   18   2HO*    G   2          2HO*        G   2  56.562  35.096-106.037
   19    H1*    G   2           H1*        G   2  57.901  37.144-106.151
   20    H8     G   2           H8         G   2  57.614  39.272-109.222
   21    H1     G   2           H1         G   2  56.212  42.390-103.850
   22   1H2     G   2          1H2         G   2  55.935  39.211-102.454
   23   2H2     G   2          2H2         G   2  55.828  40.941-102.216
   24   1H5*    G   3          1H5*        G   3  51.906  33.428-106.343
   25   2H5*    G   3          2H5*        G   3  53.659  33.594-106.341
   26    H4*    G   3           H4*        G   3  52.936  34.324-104.199
   27    H3*    G   3           H3*        G   3  50.780  35.655-105.785
   28   1H2*    G   3          1H2*        G   3  50.741  37.538-104.469
   29   2HO*    G   3          2HO*        G   3  51.896  35.883-102.462
   30    H1*    G   3           H1*        G   3  53.374  37.506-103.572
   31    H8     G   3           H8         G   3  53.129  37.581-107.331
   32    H1     G   3           H1         G   3  52.651  43.306-104.572
   33   1H2     G   3          1H2         G   3  52.046  41.496-101.659
   34   2H2     G   3          2H2         G   3  52.202  43.067-102.415
   35   1H5*    A   4          1H5*        A   4  47.399  34.521-101.431
   36   2H5*    A   4          2H5*        A   4  49.147  34.336-101.404
   37    H4*    A   4           H4*        A   4  48.709  35.651 -99.509
   38    H3*    A   4           H3*        A   4  46.582  36.862-101.235
   39   1H2*    A   4          1H2*        A   4  46.801  38.973-100.340
   40   2HO*    A   4          2HO*        A   4  48.108  39.270 -98.385
   41    H1*    A   4           H1*        A   4  49.506  39.035 -99.995
   42    H8     A   4           H8         A   4  48.701  37.463-103.297
   43   1H6     A   4          1H6         A   4  48.834  43.154-105.633
   44   2H6     A   4          2H6         A   4  48.905  41.448-106.011
   45    H2     A   4           H2         A   4  48.612  43.481-101.153
   46   1H5*    G   5          1H5*        G   5  43.183  38.049 -97.684
   47   2H5*    G   5          2H5*        G   5  44.925  37.826 -97.597
   48    H4*    G   5           H4*        G   5  44.626  40.150 -97.412
   49    H3*    G   5           H3*        G   5  42.489  39.733 -99.471
   50   1H2*    G   5          1H2*        G   5  42.863  41.770-100.471
   51   2HO*    G   5          2HO*        G   5  44.042  43.443 -99.331
   52    H1*    G   5           H1*        G   5  45.601  42.011 -99.906
   53    H8     G   5           H8         G   5  44.960  38.793-101.677
   54    H1     G   5           H1         G   5  45.354  43.773-105.630
   55   1H2     G   5          1H2         G   5  45.086  45.671-104.517
   56   2H2     G   5          2H2         G   5  44.818  45.707-102.785
   57   1H5*    C   6          1H5*        C   6  38.882  42.403 -97.509
   58   2H5*    C   6          2H5*        C   6  40.243  43.178 -98.374
   59    H4*    C   6           H4*        C   6  38.021  43.880 -99.246
   60    H3*    C   6           H3*        C   6  37.746  40.918 -99.555
   61   1H2*    C   6          1H2*        C   6  36.830  41.033-101.648
   62   2HO*    C   6          2HO*        C   6  35.209  42.561-101.014
   63    H1*    C   6           H1*        C   6  38.084  43.332-102.585
   64   1H4     C   6          1H4         C   6  40.967  38.578-105.638
   65   2H4     C   6          2H4         C   6  41.436  37.819-104.133
   66    H5     C   6           H5         C   6  40.832  38.689-101.973
   67    H6     C   6           H6         C   6  39.685  40.499-100.782
   68   1H5*    U   7          1H5*        U   7  32.556  41.252 -99.123
   69   2H5*    U   7          2H5*        U   7  33.845  42.270 -99.834
   70    H4*    U   7           H4*        U   7  32.448  41.546-101.638
   71    H3*    U   7           H3*        U   7  32.594  38.910-100.231
   72   1H2*    U   7          1H2*        U   7  32.764  37.681-102.157
   73   2HO*    U   7          2HO*        U   7  31.693  39.916-103.562
   74    H1*    U   7           H1*        U   7  33.996  39.607-103.805
   75    H3     U   7           H3         U   7  36.917  36.245-104.220
   76    H5     U   7           H5         U   7  37.123  37.169-100.114
   77    H6     U   7           H6         U   7  35.310  38.742-100.438
   78   1H5*    C   8          1H5*        C   8  30.136  36.147-100.611
   79   2H5*    C   8          2H5*        C   8  28.352  36.145-100.463
   80    H4*    C   8           H4*        C   8  29.020  34.666-102.271
   81    H3*    C   8           H3*        C   8  31.000  36.659-102.742
   82   1H2*    C   8          1H2*        C   8  30.074  37.865-104.375
   83   2HO*    C   8          2HO*        C   8  29.988  35.381-105.778
   84    H1*    C   8           H1*        C   8  27.926  36.044-105.203
   85   1H4     C   8          1H4         C   8  25.439  41.760-106.195
   86   2H4     C   8          2H4         C   8  26.130  42.367-104.706
   87    H5     C   8           H5         C   8  27.484  41.007-103.241
   88    H6     C   8           H6         C   8  28.486  38.829-102.880
   89   1H5*    A   9          1H5*        A   9  32.574  33.321-106.697
   90   2H5*    A   9          2H5*        A   9  30.834  33.688-106.515
   91    H4*    A   9           H4*        A   9  31.606  33.651-108.889
   92    H3*    A   9           H3*        A   9  33.439  35.757-107.813
   93   1H2*    A   9          1H2*        A   9  33.176  37.141-109.627
   94   2HO*    A   9          2HO*        A   9  32.389  36.371-111.635
   95    H1*    A   9           H1*        A   9  30.542  36.569-110.260
   96    H8     A   9           H8         A   9  30.063  37.362-106.828
   97   1H6     A   9          1H6         A   9  31.720  43.219-107.751
   98   2H6     A   9          2H6         A   9  30.940  42.106-106.649
   99    H2     A   9           H2         A   9  33.005  40.821-111.329
  100   1H5*    A  10          1H5*        A  10  37.217  34.693-111.322
  101   2H5*    A  10          2H5*        A  10  35.436  34.535-111.387
  102    H4*    A  10           H4*        A  10  35.877  36.221-112.944
  103    H3*    A  10           H3*        A  10  38.056  37.028-111.054
  104   1H2*    A  10          1H2*        A  10  37.813  39.269-111.495
  105   2HO*    A  10          2HO*        A  10  37.873  38.985-113.798
  106    H1*    A  10           H1*        A  10  35.092  39.376-111.921
  107    H8     A  10           H8         A  10  35.654  37.540-108.722
  108   1H6     A  10          1H6         A  10  36.970  42.928-106.048
  109   2H6     A  10          2H6         A  10  36.594  41.242-105.766
  110    H2     A  10           H2         A  10  36.922  43.538-110.503
  111   1H5*    C  11          1H5*        C  11  41.139  38.913-114.776
  112   2H5*    C  11          2H5*        C  11  39.354  38.821-114.724
  113    H4*    C  11           H4*        C  11  39.972  41.148-114.772
  114    H3*    C  11           H3*        C  11  41.956  40.291-112.698
  115   1H2*    C  11          1H2*        C  11  41.685  42.163-111.409
  116   2HO*    C  11          2HO*        C  11  40.809  44.100-112.244
  117    H1*    C  11           H1*        C  11  39.018  42.686-111.877
  118   1H4     C  11          1H4         C  11  39.837  38.652-106.680
  119   2H4     C  11          2H4         C  11  39.374  40.212-106.038
  120    H5     C  11           H5         C  11  40.212  38.249-109.023
  121    H6     C  11           H6         C  11  40.229  39.252-111.257
  122   1H5*    U  12          1H5*        U  12  44.312  44.943-114.340
  123   2H5*    U  12          2H5*        U  12  42.605  44.462-114.563
  124    H4*    U  12           H4*        U  12  42.714  46.682-113.574
  125    H3*    U  12           H3*        U  12  44.587  45.320-111.677
  126   1H2*    U  12          1H2*        U  12  43.774  46.429-109.839
  127   2HO*    U  12          2HO*        U  12  42.641  48.343-111.621
  128    H1*    U  12           H1*        U  12  41.118  46.774-110.680
  129    H3     U  12           H3         U  12  40.103  44.289-107.119
  130    H5     U  12           H5         U  12  43.168  42.043-108.943
  131    H6     U  12           H6         U  12  43.336  43.774-110.639
  132   1H5*    C  13          1H5*        C  13  47.235  50.016-111.381
  133   2H5*    C  13          2H5*        C  13  45.607  49.503-111.811
  134    H4*    C  13           H4*        C  13  45.499  50.881-109.826
  135    H3*    C  13           H3*        C  13  47.719  49.076-108.933
  136   1H2*    C  13          1H2*        C  13  46.947  48.987-106.738
  137   2HO*    C  13          2HO*        C  13  45.452  51.270-107.487
  138    H1*    C  13           H1*        C  13  44.337  48.748-107.209
  139   1H4     C  13          1H4         C  13  45.938  42.651-106.987
  140   2H4     C  13          2H4         C  13  46.310  42.696-108.696
  141    H5     C  13           H5         C  13  46.484  44.742-109.954
  142    H6     C  13           H6         C  13  46.169  47.169-109.885
  143   1H5*    U  14          1H5*        U  14  50.216  52.240-105.821
  144   2H5*    U  14          2H5*        U  14  48.497  52.289-106.188
  145    H4*    U  14           H4*        U  14  48.552  51.677-103.936
  146    H3*    U  14           H3*        U  14  50.957  50.044-104.709
  147   1H2*    U  14          1H2*        U  14  50.490  48.448-103.095
  148   2HO*    U  14          2HO*        U  14  48.865  48.910-101.444
  149    H1*    U  14           H1*        U  14  47.735  48.530-103.230
  150    H3     U  14           H3         U  14  48.964  44.311-104.298
  151    H5     U  14           H5         U  14  49.409  46.517-107.858
  152    H6     U  14           H6         U  14  49.151  48.542-106.561
  153   1H5*    C  15          1H5*        C  15  52.831  51.183 -99.903
  154   2H5*    C  15          2H5*        C  15  51.346  51.278-100.844
  155    H4*    C  15           H4*        C  15  51.152  49.421 -99.336
  156    H3*    C  15           H3*        C  15  53.893  48.745-100.373
  157   1H2*    C  15          1H2*        C  15  53.466  46.481-100.296
  158   2HO*    C  15          2HO*        C  15  51.424  47.191 -98.457
  159    H1*    C  15           H1*        C  15  50.776  46.544-100.868
  160   1H4     C  15          1H4         C  15  53.248  44.202-106.157
  161   2H4     C  15          2H4         C  15  53.458  45.829-106.770
  162    H5     C  15           H5         C  15  53.228  47.801-105.390
  163    H6     C  15           H6         C  15  52.576  48.638-103.180
  164   1H5*    C  16          1H5*        C  16  55.382  46.562 -95.901
  165   2H5*    C  16          2H5*        C  16  53.828  46.968 -96.617
  166    H4*    C  16           H4*        C  16  54.013  44.596 -96.696
  167    H3*    C  16           H3*        C  16  56.791  45.164 -97.703
  168   1H2*    C  16          1H2*        C  16  56.748  43.307 -99.051
  169   2HO*    C  16          2HO*        C  16  55.077  41.654 -98.707
  170    H1*    C  16           H1*        C  16  54.054  43.240 -99.583
  171   1H4     C  16          1H4         C  16  56.746  46.295-104.693
  172   2H4     C  16          2H4         C  16  56.778  44.590-105.093
  173    H5     C  16           H5         C  16  56.204  47.126-102.482
  174    H6     C  16           H6         C  16  55.455  46.491-100.230
  175   1H5*    C  17          1H5*        C  17  59.157  41.220 -94.820
  176   2H5*    C  17          2H5*        C  17  57.424  41.334 -95.095
  177    H4*    C  17           H4*        C  17  57.976  39.275 -96.045
  178    H3*    C  17           H3*        C  17  60.510  40.658 -96.842
  179   1H2*    C  17          1H2*        C  17  60.723  39.467 -98.802
  180   2HO*    C  17          2HO*        C  17  59.453  37.500 -99.112
  181    H1*    C  17           H1*        C  17  58.022  39.083 -99.370
  182   1H4     C  17          1H4         C  17  59.360  44.636-102.524
  183   2H4     C  17          2H4         C  17  59.707  43.362-103.673
  184    H5     C  17           H5         C  17  58.962  44.227-100.183
  185    H6     C  17           H6         C  17  58.650  42.501 -98.473
  186   1H5*    C  18          1H5*        C  18  62.964  36.113 -96.484
  187   2H5*    C  18          2H5*        C  18  61.338  36.774 -96.623
  188    H4*    C  18           H4*        C  18  61.950  35.931 -98.774
  189    H3*    C  18           H3*        C  18  64.520  37.394 -98.241
  190   1H2*    C  18          1H2*        C  18  64.754  38.013-100.445
  191   2HO*    C  18          2HO*        C  18  63.034  35.816-100.973
  192    H1*    C  18           H1*        C  18  62.053  38.203-101.118
  193   1H4     C  18          1H4         C  18  64.029  44.198-101.113
  194   2H4     C  18          2H4         C  18  63.638  44.306 -99.411
  195    H5     C  18           H5         C  18  63.131  42.386 -98.053
  196    H6     C  18           H6         C  18  62.703  39.971 -98.066
  197   1H5*    C  19          1H5*        C  19  66.611  32.946-100.803
  198   2H5*    C  19          2H5*        C  19  65.052  33.718-100.528
  199    H4*    C  19           H4*        C  19  65.555  33.760-102.900
  200    H3*    C  19           H3*        C  19  68.181  34.814-101.911
  201   1H2*    C  19          1H2*        C  19  68.387  36.360-103.611
  202   2HO*    C  19          2HO*        C  19  66.348  34.870-104.938
  203    H1*    C  19           H1*        C  19  65.786  37.094-103.851
  204   1H4     C  19          1H4         C  19  68.048  41.783-100.302
  205   2H4     C  19          2H4         C  19  67.761  40.829 -98.861
  206    H5     C  19           H5         C  19  67.190  38.483 -98.918
  207    H6     C  19           H6         C  19  66.620  36.591-100.369
  208   1H5*    C  20          1H5*        C  20  71.285  32.695-105.384
  209   2H5*    C  20          2H5*        C  20  69.618  33.240-105.515
  210    H4*    C  20           H4*        C  20  70.982  34.740-106.798
  211    H3*    C  20           H3*        C  20  72.698  34.650-104.358
  212   1H2*    C  20          1H2*        C  20  73.270  36.848-104.457
  213   2HO*    C  20          2HO*        C  20  72.696  38.016-106.551
  214    H1*    C  20           H1*        C  20  70.980  37.856-105.619
  215   1H4     C  20          1H4         C  20  70.641  40.026 -99.735
  216   2H4     C  20          2H4         C  20  69.886  38.527 -99.234
  217    H5     C  20           H5         C  20  69.808  36.561-100.643
  218    H6     C  20           H6         C  20  70.212  35.696-102.907
  219   1H5*    C  21          1H5*        C  21  76.826  34.932-106.771
  220   2H5*    C  21          2H5*        C  21  75.448  36.002-106.382
  221    H4*    C  21           H4*        C  21  77.596  37.026-105.767
  222    H3*    C  21           H3*        C  21  77.913  34.454-104.266
  223   1H2*    C  21          1H2*        C  21  78.842  35.490-102.432
  224   2HO*    C  21          2HO*        C  21  80.478  36.551-103.563
  225    H1*    C  21           H1*        C  21  77.606  38.017-102.725
  226   1H4     C  21          1H4         C  21  75.794  35.018 -97.352
  227   2H4     C  21          2H4         C  21  74.193  34.979 -98.054
  228    H5     C  21           H5         C  21  73.742  35.593-100.329
  229    H6     C  21           H6         C  21  74.695  36.414-102.437
  230   1H5*    U  22          1H5*        U  22  82.283  36.640-106.274
  231   2H5*    U  22          2H5*        U  22  82.206  38.090-105.229
  232    H4*    U  22           H4*        U  22  84.022  37.139-103.828
  233    H3*    U  22           H3*        U  22  84.238  38.281-106.399
  234   1H2*    U  22          1H2*        U  22  84.994  36.497-107.575
  235   2HO*    U  22          2HO*        U  22  87.264  36.239-107.397
  236    H1*    U  22           H1*        U  22  86.269  35.097-105.281
  237    H3     U  22           H3         U  22  86.911  31.926-108.423
  238    H5     U  22           H5         U  22  82.731  32.473-108.379
  239    H6     U  22           H6         U  22  83.058  34.326-106.850
  240   1H5*    U  23          1H5*        U  23  87.994  37.425-106.348
  241   2H5*    U  23          2H5*        U  23  89.006  38.670-107.141
  242    H4*    U  23           H4*        U  23  90.334  36.829-106.081
  243    H3*    U  23           H3*        U  23  88.789  37.775-103.714
  244   1H2*    U  23          1H2*        U  23  90.579  37.833-102.301
  245   2HO*    U  23          2HO*        U  23  91.927  36.065-104.077
  246    H1*    U  23           H1*        U  23  92.613  38.302-104.110
  247    H3     U  23           H3         U  23  93.143  41.849-101.413
  248    H5     U  23           H5         U  23  89.225  42.341-102.891
  249    H6     U  23           H6         U  23  89.461  40.211-104.034
  250   1H5*    U  24          1H5*        U  24  88.901  32.383-102.886
  251   2H5*    U  24          2H5*        U  24  90.105  33.622-103.352
  252    H4*    U  24           H4*        U  24  90.842  32.020-101.526
  253    H3*    U  24           H3*        U  24  88.488  33.342-100.256
  254   1H2*    U  24          1H2*        U  24  89.498  33.625 -98.217
  255   2HO*    U  24          2HO*        U  24  91.457  32.561 -97.682
  256    H1*    U  24           H1*        U  24  91.964  34.349 -99.080
  257    H3     U  24           H3         U  24  89.535  37.745 -97.094
  258    H5     U  24           H5         U  24  88.489  37.819-101.174
  259    H6     U  24           H6         U  24  89.801  35.784-101.482
  260   1H5*    U  25          1H5*        U  25  86.076  29.549 -97.762
  261   2H5*    U  25          2H5*        U  25  87.821  29.578 -97.965
  262    H4*    U  25           H4*        U  25  87.472  29.857 -95.658
  263    H3*    U  25           H3*        U  25  85.311  31.774 -96.467
  264   1H2*    U  25          1H2*        U  25  85.599  32.941 -94.468
  265   2HO*    U  25          2HO*        U  25  86.808  32.071 -92.739
  266    H1*    U  25           H1*        U  25  88.298  32.686 -94.339
  267    H3     U  25           H3         U  25  87.225  37.096 -94.524
  268    H5     U  25           H5         U  25  87.493  35.812 -98.524
  269    H6     U  25           H6         U  25  87.548  33.523 -97.720
  270   1H5*    C  26          1H5*        C  26  81.369  30.317 -92.601
  271   2H5*    C  26          2H5*        C  26  82.742  30.136 -91.556
  272    H4*    C  26           H4*        C  26  82.495  32.339 -91.330
  273    H3*    C  26           H3*        C  26  81.320  32.493 -94.108
  274   1H2*    C  26          1H2*        C  26  81.465  34.825 -93.792
  275   2HO*    C  26          2HO*        C  26  82.126  34.332 -91.064
  276    H1*    C  26           H1*        C  26  83.862  34.728 -92.392
  277   1H4     C  26          1H4         C  26  85.251  37.241 -98.018
  278   2H4     C  26          2H4         C  26  85.184  35.661 -98.775
  279    H5     C  26           H5         C  26  84.354  33.680 -97.633
  280    H6     C  26           H6         C  26  83.585  32.783 -95.485
  281   1H5*    C  27          1H5*        C  27  77.021  34.594 -91.444
  282   2H5*    C  27          2H5*        C  27  78.650  34.029 -91.087
  283    H4*    C  27           H4*        C  27  78.669  36.376 -90.730
  284    H3*    C  27           H3*        C  27  77.160  36.482 -93.334
  285   1H2*    C  27          1H2*        C  27  78.143  38.480 -93.918
  286   2HO*    C  27          2HO*        C  27  79.230  39.783 -92.310
  287    H1*    C  27           H1*        C  27  80.609  38.080 -92.644
  288   1H4     C  27          1H4         C  27  81.984  37.822 -98.788
  289   2H4     C  27          2H4         C  27  81.727  36.090 -98.750
  290    H5     C  27           H5         C  27  80.673  34.953 -96.897
  291    H6     C  27           H6         C  27  79.824  35.208 -94.610
  292   1H5*    G  28          1H5*        G  28  73.974  40.498 -91.622
  293   2H5*    G  28          2H5*        G  28  75.505  39.964 -90.942
  294    H4*    G  28           H4*        G  28  75.915  42.176 -91.626
  295    H3*    G  28           H3*        G  28  74.176  41.445 -93.957
  296   1H2*    G  28          1H2*        G  28  75.366  42.725 -95.453
  297   2HO*    G  28          2HO*        G  28  76.944  44.304 -94.617
  298    H1*    G  28           H1*        G  28  77.893  42.437 -94.395
  299    H8     G  28           H8         G  28  76.198  39.087 -94.673
  300    H1     G  28           H1         G  28  78.890  41.031-100.109
  301   1H2     G  28          1H2         G  28  78.954  44.170 -98.607
  302   2H2     G  28          2H2         G  28  79.318  43.201-100.018
  303   1H5*    A  29          1H5*        A  29  73.041  46.683 -94.052
  304   2H5*    A  29          2H5*        A  29  74.284  45.663 -93.339
  305    H4*    A  29           H4*        A  29  75.412  47.072 -94.871
  306    H3*    A  29           H3*        A  29  73.083  46.454 -96.672
  307   1H2*    A  29          1H2*        A  29  74.417  46.609 -98.568
  308   2HO*    A  29          2HO*        A  29  76.602  47.501 -98.364
  309    H1*    A  29           H1*        A  29  76.739  45.553 -97.488
  310    H8     A  29           H8         A  29  73.825  43.320 -96.676
  311   1H6     A  29          1H6         A  29  74.980  40.521-102.041
  312   2H6     A  29          2H6         A  29  74.194  40.370-100.486
  313    H2     A  29           H2         A  29  77.141  44.463-102.025
  314   1H5*    G  30          1H5*        G  30  72.664  50.425 -99.435
  315   2H5*    G  30          2H5*        G  30  74.067  49.744 -98.621
  316    H4*    G  30           H4*        G  30  74.286  49.297-100.969
  317    H3*    G  30           H3*        G  30  71.440  48.358-100.688
  318   1H2*    G  30          1H2*        G  30  71.754  46.737-102.338
  319   2HO*    G  30          2HO*        G  30  73.952  46.731-103.403
  320    H1*    G  30           H1*        G  30  74.233  45.912-101.566
  321    H8     G  30           H8         G  30  72.007  46.497 -98.529
  322    H1     G  30           H1         G  30  71.281  40.810-101.300
  323   1H2     G  30          1H2         G  30  72.990  42.256-103.963
  324   2H2     G  30          2H2         G  30  72.189  40.841-103.317
  325   1H5*    G  31          1H5*        G  31  69.391  50.592-105.112
  326   2H5*    G  31          2H5*        G  31  71.114  50.252-105.000
  327    H4*    G  31           H4*        G  31  70.401  48.964-106.836
  328    H3*    G  31           H3*        G  31  67.952  48.550-105.156
  329   1H2*    G  31          1H2*        G  31  67.612  46.371-105.912
  330   2HO*    G  31          2HO*        G  31  69.501  47.030-107.959
  331    H1*    G  31           H1*        G  31  70.195  45.535-105.931
  332    H8     G  31           H8         G  31  69.599  47.737-102.913
  333    H1     G  31           H1         G  31  67.865  41.670-102.033
  334   1H2     G  31          1H2         G  31  68.048  41.426-105.492
  335   2H2     G  31          2H2         G  31  67.711  40.631-103.971
  336   1H5*    G  32          1H5*        G  32  65.280  48.045-110.012
  337   2H5*    G  32          2H5*        G  32  67.008  48.137-109.699
  338    H4*    G  32           H4*        G  32  66.840  46.056-110.699
  339    H3*    G  32           H3*        G  32  64.107  46.021-109.531
  340   1H2*    G  32          1H2*        G  32  64.061  43.800-109.028
  341   2HO*    G  32          2HO*        G  32  65.618  42.329-109.936
  342    H1*    G  32           H1*        G  32  66.630  43.404-108.234
  343    H8     G  32           H8         G  32  65.423  46.766-107.077
  344    H1     G  32           H1         G  32  64.020  42.098-102.987
  345   1H2     G  32          1H2         G  32  64.604  39.953-105.654
  346   2H2     G  32          2H2         G  32  64.139  40.136-103.973
  347   1H5*    U  33          1H5*        U  33  63.959  41.906-112.101
  348   2H5*    U  33          2H5*        U  33  62.367  42.263-112.843
  349    H4*    U  33           H4*        U  33  63.401  40.534-114.153
  350    H3*    U  33           H3*        U  33  65.832  41.673-113.395
  351   1H2*    U  33          1H2*        U  33  66.034  43.329-114.934
  352   2HO*    U  33          2HO*        U  33  66.495  41.070-116.624
  353    H1*    U  33           H1*        U  33  64.509  41.980-117.109
  354    H3     U  33           H3         U  33  64.400  45.872-119.296
  355    H5     U  33           H5         U  33  63.803  47.057-115.294
  356    H6     U  33           H6         U  33  64.028  44.732-114.639
  357   1H5*    C  34          1H5*        C  34  68.110  40.208-115.873
  358   2H5*    C  34          2H5*        C  34  68.516  40.877-114.264
  359    H4*    C  34           H4*        C  34  70.177  38.908-115.900
  360    H3*    C  34           H3*        C  34  70.203  39.757-113.057
  361   1H2*    C  34          1H2*        C  34  72.441  40.263-112.960
  362   2HO*    C  34          2HO*        C  34  73.929  39.366-114.464
  363    H1*    C  34           H1*        C  34  72.838  41.038-115.622
  364   1H4     C  34          1H4         C  34  71.585  45.862-111.238
  365   2H4     C  34          2H4         C  34  73.062  46.308-112.062
  366    H5     C  34           H5         C  34  70.368  43.854-111.730
  367    H6     C  34           H6         C  34  70.220  41.882-113.140
  368   1H5*    A  35          1H5*        A  35  73.723  36.722-112.114
  369   2H5*    A  35          2H5*        A  35  73.082  37.928-113.260
  370    H4*    A  35           H4*        A  35  74.957  39.009-112.485
  371    H3*    A  35           H3*        A  35  74.875  37.168-110.374
  372   1H2*    A  35          1H2*        A  35  73.866  38.389-108.773
  373   2HO*    A  35          2HO*        A  35  75.357  39.786-107.692
  374    H1*    A  35           H1*        A  35  74.692  41.035-109.838
  375    H8     A  35           H8         A  35  71.466  40.779-110.682
  376   1H6     A  35          1H6         A  35  69.035  42.091-106.751
  377   2H6     A  35          2H6         A  35  69.448  42.089-105.055
  378    H2     A  35           H2         A  35  73.639  40.576-104.708
  379   1H5*    U  36          1H5*        U  36  80.054  39.462-110.363
  380   2H5*    U  36          2H5*        U  36  78.440  39.766-110.985
  381    H4*    U  36           H4*        U  36  79.130  41.802-110.029
  382    H3*    U  36           H3*        U  36  80.194  40.081-107.807
  383   1H2*    U  36          1H2*        U  36  79.785  41.718-106.238
  384   2HO*    U  36          2HO*        U  36  79.904  43.464-108.462
  385    H1*    U  36           H1*        U  36  77.542  42.866-107.424
  386    H3     U  36           H3         U  36  76.396  41.657-103.210
  387    H5     U  36           H5         U  36  75.927  38.225-105.600
  388    H6     U  36           H6         U  36  77.143  39.343-107.355
  389   1H5*    C  37          1H5*        C  37  83.776  43.778-107.209
  390   2H5*    C  37          2H5*        C  37  82.225  43.470-107.980
  391    H4*    C  37           H4*        C  37  81.815  44.880-106.101
  392    H3*    C  37           H3*        C  37  83.524  42.898-104.598
  393   1H2*    C  37          1H2*        C  37  82.289  43.263-102.679
  394   2HO*    C  37          2HO*        C  37  81.589  45.722-103.916
  395    H1*    C  37           H1*        C  37  79.849  43.848-103.925
  396   1H4     C  37          1H4         C  37  79.052  38.478-100.705
  397   2H4     C  37          2H4         C  37  79.462  37.577-102.146
  398    H5     C  37           H5         C  37  80.410  38.596-104.116
  399    H6     C  37           H6         C  37  80.983  40.719-105.190
  400   1H5*    G  38          1H5*        G  38  86.084  46.959-101.935
  401   2H5*    G  38          2H5*        G  38  84.595  47.075-102.865
  402    H4*    G  38           H4*        G  38  83.974  47.772-100.708
  403    H3*    G  38           H3*        G  38  85.867  45.623 -99.814
  404   1H2*    G  38          1H2*        G  38  84.617  45.060 -97.966
  405   2HO*    G  38          2HO*        G  38  82.829  46.479 -97.304
  406    H1*    G  38           H1*        G  38  82.099  45.415 -98.999
  407    H8     G  38           H8         G  38  84.311  43.555-101.438
  408    H1     G  38           H1         G  38  81.669  39.812 -97.008
  409   1H2     G  38          1H2         G  38  81.078  42.779 -95.288
  410   2H2     G  38          2H2         G  38  80.939  41.036 -95.314
  411   1H5*    G  39          1H5*        G  39  87.275  47.851 -95.465
  412   2H5*    G  39          2H5*        G  39  85.998  48.129 -96.645
  413    H4*    G  39           H4*        G  39  84.913  46.815 -95.076
  414    H3*    G  39           H3*        G  39  87.602  45.567 -94.662
  415   1H2*    G  39          1H2*        G  39  86.707  43.424 -94.367
  416   2HO*    G  39          2HO*        G  39  84.905  44.919 -92.993
  417    H1*    G  39           H1*        G  39  84.172  43.853 -95.518
  418    H8     G  39           H8         G  39  86.620  43.876 -98.293
  419    H1     G  39           H1         G  39  84.932  38.058 -96.302
  420   1H2     G  39          1H2         G  39  84.105  38.184 -94.247
  421   2H2     G  39          2H2         G  39  83.969  39.700 -93.385
  422   1H5*    A  40          1H5*        A  40  88.699  45.601 -90.086
  423   2H5*    A  40          2H5*        A  40  87.625  46.315 -88.882
  424    H4*    A  40           H4*        A  40  87.229  44.257 -88.035
  425    H3*    A  40           H3*        A  40  89.041  43.423 -90.330
  426   1H2*    A  40          1H2*        A  40  88.546  41.159 -89.876
  427   2HO*    A  40          2HO*        A  40  87.171  40.581 -88.142
  428    H1*    A  40           H1*        A  40  85.921  41.503 -89.953
  429    H8     A  40           H8         A  40  87.495  44.060 -92.212
  430   1H6     A  40          1H6         A  40  87.838  39.534 -96.428
  431   2H6     A  40          2H6         A  40  87.836  41.272 -96.197
  432    H2     A  40           H2         A  40  87.017  37.665 -92.440
  433   1H5*    A  41          1H5*        A  41  90.574  40.286 -86.816
  434   2H5*    A  41          2H5*        A  41  88.959  40.691 -87.472
  435    H4*    A  41           H4*        A  41  89.251  38.254 -87.286
  436    H3*    A  41           H3*        A  41  91.736  38.889 -88.814
  437   1H2*    A  41          1H2*        A  41  91.536  37.128 -90.262
  438   2HO*    A  41          2HO*        A  41  89.727  35.942 -88.407
  439    H1*    A  41           H1*        A  41  88.800  36.932 -90.400
  440    H8     A  41           H8         A  41  90.292  40.404 -90.892
  441   1H6     A  41          1H6         A  41  91.083  40.255 -95.642
  442   2H6     A  41          2H6         A  41  90.990  38.975 -96.831
  443    H2     A  41           H2         A  41  89.697  35.271 -94.650
  444   1H5*    C  42          1H5*        C  42  94.227  34.906 -87.309
  445   2H5*    C  42          2H5*        C  42  92.704  34.912 -88.247
  446    H4*    C  42           H4*        C  42  94.566  33.539 -89.253
  447    H3*    C  42           H3*        C  42  95.838  36.242 -89.233
  448   1H2*    C  42          1H2*        C  42  96.610  36.088 -91.365
  449   2HO*    C  42          2HO*        C  42  96.372  33.269 -91.169
  450    H1*    C  42           H1*        C  42  94.760  34.353 -92.432
  451   1H4     C  42          1H4         C  42  93.725  39.840 -95.410
  452   2H4     C  42          2H4         C  42  93.429  40.672 -93.900
  453    H5     C  42           H5         C  42  93.581  39.596 -91.753
  454    H6     C  42           H6         C  42  94.044  37.494 -90.581
  455   1H5*    C  43          1H5*        C  43  99.960  33.367 -90.068
  456   2H5*    C  43          2H5*        C  43  98.278  33.460 -90.669
  457    H4*    C  43           H4*        C  43  99.992  33.343 -92.492
  458    H3*    C  43           H3*        C  43 100.928  35.789 -91.051
  459   1H2*    C  43          1H2*        C  43 101.285  37.012 -92.944
  460   2HO*    C  43          2HO*        C  43 102.513  35.336 -93.989
  461    H1*    C  43           H1*        C  43  99.237  36.032 -94.529
  462   1H4     C  43          1H4         C  43  97.506  41.752 -92.311
  463   2H4     C  43          2H4         C  43  97.186  41.073 -90.732
  464    H5     C  43           H5         C  43  97.628  38.776 -90.170
  465    H6     C  43           H6         C  43  98.425  36.599 -91.027
  466   1H5*    A  44          1H5*        A  44 105.238  31.914 -91.587
  467   2H5*    A  44          2H5*        A  44 103.768  32.428 -92.469
  468    H4*    A  44           H4*        A  44 105.749  32.635 -93.896
  469    H3*    A  44           H3*        A  44 106.887  33.786 -91.466
  470   1H2*    A  44          1H2*        A  44 107.055  35.904 -92.102
  471   2HO*    A  44          2HO*        A  44 108.367  36.379 -93.940
  472    H1*    A  44           H1*        A  44 106.215  35.596 -94.917
  473    H8     A  44           H8         A  44 103.463  36.343 -92.583
  474   1H6     A  44          1H6         A  44 103.619  41.171 -92.501
  475   2H6     A  44          2H6         A  44 104.788  42.339 -93.074
  476    H2     A  44           H2         A  44 108.160  40.008 -94.919
  477    H3T    A  44           H3T        A  44 108.798  33.345 -92.666
   
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  62.445  39.514-112.350
    2   2H5*    G   1          2H5*        G   1  62.707  40.613-110.970
    3    H4*    G   1           H4*        G   1  63.384  37.967-111.002
    4    H3*    G   1           H3*        G   1  60.563  38.240-110.060
    5   1H2*    G   1          1H2*        G   1  60.888  36.962-108.155
    6   2HO*    G   1          2HO*        G   1  62.899  35.856-109.693
    7    H1*    G   1           H1*        G   1  63.359  37.825-107.492
    8    H8     G   1           H8         G   1  61.725  40.940-108.554
    9    H1     G   1           H1         G   1  60.301  39.336-102.556
   10   1H2     G   1          1H2         G   1  61.359  36.143-103.459
   11   2H2     G   1          2H2         G   1  60.717  37.191-102.208
   12    H5T    G   1           H5T        G   1  60.663  40.902-111.114
   13   1H5*    G   2          1H5*        G   2  58.113  34.400-110.253
   14   2H5*    G   2          2H5*        G   2  59.841  34.523-109.976
   15    H4*    G   2           H4*        G   2  59.048  34.286-107.829
   16    H3*    G   2           H3*        G   2  56.674  35.901-108.742
   17   1H2*    G   2          1H2*        G   2  56.307  36.596-106.566
   18   2HO*    G   2          2HO*        G   2  57.685  34.214-105.900
   19    H1*    G   2           H1*        G   2  58.972  36.448-105.698
   20    H8     G   2           H8         G   2  58.628  38.919-108.466
   21    H1     G   2           H1         G   2  56.593  41.108-102.840
   22   1H2     G   2          1H2         G   2  56.540  37.742-101.929
   23   2H2     G   2          2H2         G   2  56.251  39.402-101.457
   24   1H5*    G   3          1H5*        G   3  53.042  32.456-106.662
   25   2H5*    G   3          2H5*        G   3  54.783  32.450-106.406
   26    H4*    G   3           H4*        G   3  53.982  32.976-104.283
   27    H3*    G   3           H3*        G   3  51.816  34.334-105.817
   28   1H2*    G   3          1H2*        G   3  51.554  36.048-104.325
   29   2HO*    G   3          2HO*        G   3  52.417  35.768-102.109
   30    H1*    G   3           H1*        G   3  54.103  36.079-103.217
   31    H8     G   3           H8         G   3  54.171  36.635-106.933
   32    H1     G   3           H1         G   3  53.004  41.895-103.521
   33   1H2     G   3          1H2         G   3  52.242  39.661-100.958
   34   2H2     G   3          2H2         G   3  52.351  41.326-101.480
   35   1H5*    A   4          1H5*        A   4  47.896  32.884-102.160
   36   2H5*    A   4          2H5*        A   4  49.555  32.576-101.661
   37    H4*    A   4           H4*        A   4  48.829  33.839 -99.872
   38    H3*    A   4           H3*        A   4  46.947  35.042-101.867
   39   1H2*    A   4          1H2*        A   4  46.906  37.112-100.891
   40   2HO*    A   4          2HO*        A   4  47.883  37.354 -98.701
   41    H1*    A   4           H1*        A   4  49.490  37.286-100.030
   42    H8     A   4           H8         A   4  49.371  35.866-103.493
   43   1H6     A   4          1H6         A   4  49.566  41.678-105.504
   44   2H6     A   4          2H6         A   4  49.784  40.001-105.948
   45    H2     A   4           H2         A   4  48.620  41.747-101.112
   46   1H5*    G   5          1H5*        G   5  43.097  36.044 -98.590
   47   2H5*    G   5          2H5*        G   5  44.793  35.724 -98.253
   48    H4*    G   5           H4*        G   5  44.676  37.985 -97.810
   49    H3*    G   5           H3*        G   5  42.535  37.986 -99.900
   50   1H2*    G   5          1H2*        G   5  43.004  40.123-100.616
   51   2HO*    G   5          2HO*        G   5  43.875  40.426 -97.967
   52    H1*    G   5           H1*        G   5  45.739  40.205 -99.950
   53    H8     G   5           H8         G   5  45.132  37.343-102.254
   54    H1     G   5           H1         G   5  45.653  42.919-105.294
   55   1H2     G   5          1H2         G   5  45.369  44.608-103.885
   56   2H2     G   5          2H2         G   5  45.057  44.353-102.178
   57   1H5*    C   6          1H5*        C   6  38.812  40.397 -97.339
   58   2H5*    C   6          2H5*        C   6  40.109  41.609 -97.561
   59    H4*    C   6           H4*        C   6  38.296  42.675 -98.547
   60    H3*    C   6           H3*        C   6  37.435  39.898 -99.228
   61   1H2*    C   6          1H2*        C   6  36.470  40.460-101.213
   62   2HO*    C   6          2HO*        C   6  35.728  42.563-101.661
   63    H1*    C   6           H1*        C   6  38.061  42.663-101.901
   64   1H4     C   6          1H4         C   6  39.626  37.959-105.886
   65   2H4     C   6          2H4         C   6  40.408  37.081-104.590
   66    H5     C   6           H5         C   6  40.406  37.819-102.304
   67    H6     C   6           H6         C   6  39.655  39.563-100.754
   68   1H5*    U   7          1H5*        U   7  32.451  39.814 -98.615
   69   2H5*    U   7          2H5*        U   7  33.388  41.250 -99.127
   70    H4*    U   7           H4*        U   7  32.371  40.634-101.124
   71    H3*    U   7           H3*        U   7  32.526  37.885 -99.980
   72   1H2*    U   7          1H2*        U   7  32.916  36.833-101.966
   73   2HO*    U   7          2HO*        U   7  32.259  38.837-103.721
   74    H1*    U   7           H1*        U   7  34.111  38.948-103.386
   75    H3     U   7           H3         U   7  37.226  35.774-103.894
   76    H5     U   7           H5         U   7  37.149  36.369 -99.722
   77    H6     U   7           H6         U   7  35.291  37.894-100.036
   78   1H5*    C   8          1H5*        C   8  31.123  35.419-101.076
   79   2H5*    C   8          2H5*        C   8  29.657  34.809-100.253
   80    H4*    C   8           H4*        C   8  29.794  33.430-102.123
   81    H3*    C   8           H3*        C   8  30.911  35.858-103.467
   82   1H2*    C   8          1H2*        C   8  29.995  35.370-105.501
   83   2HO*    C   8          2HO*        C   8  30.180  32.743-104.576
   84    H1*    C   8           H1*        C   8  27.681  34.080-104.666
   85   1H4     C   8          1H4         C   8  25.684  39.706-106.726
   86   2H4     C   8          2H4         C   8  26.408  40.496-105.344
   87    H5     C   8           H5         C   8  27.733  39.319-103.710
   88    H6     C   8           H6         C   8  28.672  37.191-103.043
   89   1H5*    A   9          1H5*        A   9  32.908  33.460-106.903
   90   2H5*    A   9          2H5*        A   9  31.178  33.826-106.648
   91    H4*    A   9           H4*        A   9  32.062  34.313-108.966
   92    H3*    A   9           H3*        A   9  33.689  36.259-107.365
   93   1H2*    A   9          1H2*        A   9  33.391  37.949-108.880
   94   2HO*    A   9          2HO*        A   9  33.096  37.626-111.025
   95    H1*    A   9           H1*        A   9  30.867  37.212-109.851
   96    H8     A   9           H8         A   9  30.138  37.615-106.382
   97   1H6     A   9          1H6         A   9  31.322  43.650-106.645
   98   2H6     A   9          2H6         A   9  30.597  42.373-105.694
   99    H2     A   9           H2         A   9  32.948  41.733-110.372
  100   1H5*    A  10          1H5*        A  10  38.342  35.533-110.255
  101   2H5*    A  10          2H5*        A  10  36.728  35.086-110.887
  102    H4*    A  10           H4*        A  10  37.327  36.738-112.396
  103    H3*    A  10           H3*        A  10  38.933  37.851-110.131
  104   1H2*    A  10          1H2*        A  10  38.600  40.033-110.712
  105   2HO*    A  10          2HO*        A  10  39.083  40.322-112.754
  106    H1*    A  10           H1*        A  10  36.073  39.888-111.805
  107    H8     A  10           H8         A  10  36.015  38.176-108.483
  108   1H6     A  10          1H6         A  10  35.988  43.747-105.842
  109   2H6     A  10          2H6         A  10  35.748  42.035-105.570
  110    H2     A  10           H2         A  10  36.996  44.245-110.192
  111   1H5*    C  11          1H5*        C  11  42.827  39.915-113.092
  112   2H5*    C  11          2H5*        C  11  41.261  39.277-113.676
  113    H4*    C  11           H4*        C  11  40.903  41.557-113.883
  114    H3*    C  11           H3*        C  11  42.800  41.728-111.585
  115   1H2*    C  11          1H2*        C  11  41.827  43.535-110.636
  116   2HO*    C  11          2HO*        C  11  40.418  44.954-111.777
  117    H1*    C  11           H1*        C  11  39.190  43.158-111.477
  118   1H4     C  11          1H4         C  11  40.127  40.685-105.417
  119   2H4     C  11          2H4         C  11  39.409  42.265-105.191
  120    H5     C  11           H5         C  11  40.769  39.822-107.571
  121    H6     C  11           H6         C  11  40.883  40.307-109.975
  122   1H5*    U  12          1H5*        U  12  44.573  46.174-113.454
  123   2H5*    U  12          2H5*        U  12  43.211  46.865-114.379
  124    H4*    U  12           H4*        U  12  43.514  48.569-112.882
  125    H3*    U  12           H3*        U  12  44.626  46.469-111.040
  126   1H2*    U  12          1H2*        U  12  44.046  47.704-109.163
  127   2HO*    U  12          2HO*        U  12  43.527  50.058-110.594
  128    H1*    U  12           H1*        U  12  41.803  49.044-110.246
  129    H3     U  12           H3         U  12  39.555  47.172-106.906
  130    H5     U  12           H5         U  12  42.211  44.102-108.014
  131    H6     U  12           H6         U  12  42.964  45.506-109.860
  132   1H5*    C  13          1H5*        C  13  47.720  50.418-109.839
  133   2H5*    C  13          2H5*        C  13  46.146  49.858-110.391
  134    H4*    C  13           H4*        C  13  45.960  50.827-108.161
  135    H3*    C  13           H3*        C  13  48.226  48.954-107.611
  136   1H2*    C  13          1H2*        C  13  47.420  48.337-105.538
  137   2HO*    C  13          2HO*        C  13  45.891  50.713-105.711
  138    H1*    C  13           H1*        C  13  44.775  48.286-106.058
  139   1H4     C  13          1H4         C  13  46.272  42.184-106.777
  140   2H4     C  13          2H4         C  13  46.689  42.499-108.447
  141    H5     C  13           H5         C  13  46.910  44.718-109.354
  142    H6     C  13           H6         C  13  46.635  47.107-108.895
  143   1H5*    U  14          1H5*        U  14  50.099  50.961-103.409
  144   2H5*    U  14          2H5*        U  14  48.419  51.190-103.872
  145    H4*    U  14           H4*        U  14  48.146  49.877-102.012
  146    H3*    U  14           H3*        U  14  50.802  48.663-102.746
  147   1H2*    U  14          1H2*        U  14  50.257  46.699-101.653
  148   2HO*    U  14          2HO*        U  14  48.343  48.298-100.306
  149    H1*    U  14           H1*        U  14  47.552  46.671-102.230
  150    H3     U  14           H3         U  14  49.354  42.857-103.893
  151    H5     U  14           H5         U  14  50.144  45.804-106.796
  152    H6     U  14           H6         U  14  49.470  47.479-105.188
  153   1H5*    C  15          1H5*        C  15  52.029  48.867 -97.583
  154   2H5*    C  15          2H5*        C  15  50.652  49.102 -98.654
  155    H4*    C  15           H4*        C  15  50.435  46.927 -97.711
  156    H3*    C  15           H3*        C  15  53.352  46.714 -98.385
  157   1H2*    C  15          1H2*        C  15  53.170  44.482 -98.893
  158   2HO*    C  15          2HO*        C  15  51.264  43.272 -98.194
  159    H1*    C  15           H1*        C  15  50.557  44.470 -99.786
  160   1H4     C  15          1H4         C  15  53.739  43.276-105.065
  161   2H4     C  15          2H4         C  15  53.877  44.999-105.354
  162    H5     C  15           H5         C  15  53.372  46.663-103.681
  163    H6     C  15           H6         C  15  52.424  47.046-101.454
  164   1H5*    C  16          1H5*        C  16  54.952  43.743 -94.419
  165   2H5*    C  16          2H5*        C  16  53.272  43.968 -94.893
  166    H4*    C  16           H4*        C  16  53.656  41.764 -95.501
  167    H3*    C  16           H3*        C  16  56.423  42.729 -96.135
  168   1H2*    C  16          1H2*        C  16  56.702  41.167 -97.784
  169   2HO*    C  16          2HO*        C  16  54.658  39.722 -96.448
  170    H1*    C  16           H1*        C  16  54.079  40.905 -98.574
  171   1H4     C  16          1H4         C  16  56.753  45.081-102.836
  172   2H4     C  16          2H4         C  16  56.976  43.488-103.529
  173    H5     C  16           H5         C  16  55.983  45.440-100.567
  174    H6     C  16           H6         C  16  55.181  44.339 -98.521
  175   1H5*    C  17          1H5*        C  17  59.257  38.698 -93.985
  176   2H5*    C  17          2H5*        C  17  57.531  38.434 -94.183
  177    H4*    C  17           H4*        C  17  58.370  36.723 -95.479
  178    H3*    C  17           H3*        C  17  60.676  38.581 -95.902
  179   1H2*    C  17          1H2*        C  17  61.159  37.779 -98.000
  180   2HO*    C  17          2HO*        C  17  60.149  35.710 -98.686
  181    H1*    C  17           H1*        C  17  58.586  37.093 -98.808
  182   1H4     C  17          1H4         C  17  59.259  43.260-100.864
  183   2H4     C  17          2H4         C  17  59.826  42.266-102.187
  184    H5     C  17           H5         C  17  58.804  42.391 -98.663
  185    H6     C  17           H6         C  17  58.658  40.361 -97.298
  186   1H5*    C  18          1H5*        C  18  63.829  34.370 -95.622
  187   2H5*    C  18          2H5*        C  18  62.130  34.783 -95.823
  188    H4*    C  18           H4*        C  18  62.943  34.252 -97.983
  189    H3*    C  18           H3*        C  18  65.303  35.927 -97.180
  190   1H2*    C  18          1H2*        C  18  65.606  36.702 -99.334
  191   2HO*    C  18          2HO*        C  18  64.376  34.262-100.004
  192    H1*    C  18           H1*        C  18  62.923  36.524-100.183
  193   1H4     C  18          1H4         C  18  64.113  42.695-100.330
  194   2H4     C  18          2H4         C  18  63.534  42.824 -98.682
  195    H5     C  18           H5         C  18  63.142  40.904 -97.265
  196    H6     C  18           H6         C  18  63.067  38.453 -97.179
  197   1H5*    C  19          1H5*        C  19  68.535  33.121-100.240
  198   2H5*    C  19          2H5*        C  19  66.780  33.218-100.228
  199    H4*    C  19           H4*        C  19  67.273  34.209-102.256
  200    H3*    C  19           H3*        C  19  69.756  35.138-100.859
  201   1H2*    C  19          1H2*        C  19  69.912  37.048-102.129
  202   2HO*    C  19          2HO*        C  19  68.535  37.127-104.140
  203    H1*    C  19           H1*        C  19  67.203  37.383-102.698
  204   1H4     C  19          1H4         C  19  68.582  42.437 -99.233
  205   2H4     C  19          2H4         C  19  68.260  41.522 -97.772
  206    H5     C  19           H5         C  19  67.973  39.117 -97.754
  207    H6     C  19           H6         C  19  67.766  37.108 -99.150
  208   1H5*    C  20          1H5*        C  20  72.804  34.238-105.262
  209   2H5*    C  20          2H5*        C  20  71.047  34.237-105.241
  210    H4*    C  20           H4*        C  20  71.472  35.973-106.711
  211    H3*    C  20           H3*        C  20  73.953  36.303-105.089
  212   1H2*    C  20          1H2*        C  20  74.059  38.555-105.318
  213   2HO*    C  20          2HO*        C  20  72.650  38.071-107.720
  214    H1*    C  20           H1*        C  20  71.362  39.113-105.701
  215   1H4     C  20          1H4         C  20  72.414  41.835-100.177
  216   2H4     C  20          2H4         C  20  72.153  40.297 -99.375
  217    H5     C  20           H5         C  20  72.017  38.200-100.575
  218    H6     C  20           H6         C  20  71.917  37.142-102.793
  219   1H5*    C  21          1H5*        C  21  77.867  37.207-107.116
  220   2H5*    C  21          2H5*        C  21  77.491  38.687-106.190
  221    H4*    C  21           H4*        C  21  79.040  36.674-105.276
  222    H3*    C  21           H3*        C  21  76.198  36.048-104.559
  223   1H2*    C  21          1H2*        C  21  76.708  35.645-102.344
  224   2HO*    C  21          2HO*        C  21  78.999  35.176-101.812
  225    H1*    C  21           H1*        C  21  79.069  37.219-102.210
  226   1H4     C  21          1H4         C  21  75.410  40.106 -98.012
  227   2H4     C  21          2H4         C  21  74.420  40.790 -99.282
  228    H5     C  21           H5         C  21  74.722  40.266-101.598
  229    H6     C  21           H6         C  21  75.877  38.840-103.229
  230   1H5*    U  22          1H5*        U  22  80.973  35.979-105.917
  231   2H5*    U  22          2H5*        U  22  81.110  36.082-104.135
  232    H4*    U  22           H4*        U  22  82.911  34.619-104.067
  233    H3*    U  22           H3*        U  22  83.046  36.678-105.973
  234   1H2*    U  22          1H2*        U  22  82.979  35.481-107.891
  235   2HO*    U  22          2HO*        U  22  85.160  36.062-107.872
  236    H1*    U  22           H1*        U  22  84.172  32.981-106.810
  237    H3     U  22           H3         U  22  82.894  32.794-111.363
  238    H5     U  22           H5         U  22  79.676  31.516-108.961
  239    H6     U  22           H6         U  22  80.864  32.369-107.028
  240   1H5*    U  23          1H5*        U  23  86.305  35.214-106.574
  241   2H5*    U  23          2H5*        U  23  86.918  36.486-107.671
  242    H4*    U  23           H4*        U  23  88.583  34.790-107.641
  243    H3*    U  23           H3*        U  23  87.940  34.700-104.725
  244   1H2*    U  23          1H2*        U  23  90.087  34.310-104.062
  245   2HO*    U  23          2HO*        U  23  91.188  32.895-105.128
  246    H1*    U  23           H1*        U  23  91.430  35.767-105.931
  247    H3     U  23           H3         U  23  92.132  37.375-101.680
  248    H5     U  23           H5         U  23  88.776  39.417-103.212
  249    H6     U  23           H6         U  23  88.734  37.834-105.049
  250   1H5*    U  24          1H5*        U  24  89.148  30.502-103.950
  251   2H5*    U  24          2H5*        U  24  89.816  32.125-104.276
  252    H4*    U  24           H4*        U  24  90.406  30.669-102.077
  253    H3*    U  24           H3*        U  24  87.933  32.259-101.461
  254   1H2*    U  24          1H2*        U  24  88.766  32.888 -99.420
  255   2HO*    U  24          2HO*        U  24  89.429  31.184 -98.347
  256    H1*    U  24           H1*        U  24  91.462  32.902-100.092
  257    H3     U  24           H3         U  24  90.722  36.953 -98.313
  258    H5     U  24           H5         U  24  88.364  36.979-101.804
  259    H6     U  24           H6         U  24  89.006  34.678-102.180
  260   1H5*    U  25          1H5*        U  25  84.962  29.481 -98.361
  261   2H5*    U  25          2H5*        U  25  86.664  29.047 -98.397
  262    H4*    U  25           H4*        U  25  86.446  29.837 -96.243
  263    H3*    U  25           H3*        U  25  84.473  31.793 -97.396
  264   1H2*    U  25          1H2*        U  25  84.825  33.200 -95.567
  265   2HO*    U  25          2HO*        U  25  85.769  30.842 -94.354
  266    H1*    U  25           H1*        U  25  87.503  32.692 -95.302
  267    H3     U  25           H3         U  25  87.010  37.160 -96.058
  268    H5     U  25           H5         U  25  87.106  35.344 -99.861
  269    H6     U  25           H6         U  25  86.859  33.192 -98.771
  270   1H5*    C  26          1H5*        C  26  80.295  31.744 -94.619
  271   2H5*    C  26          2H5*        C  26  81.808  31.091 -94.003
  272    H4*    C  26           H4*        C  26  81.660  33.082 -92.832
  273    H3*    C  26           H3*        C  26  80.252  34.048 -95.287
  274   1H2*    C  26          1H2*        C  26  81.015  36.197 -95.084
  275   2HO*    C  26          2HO*        C  26  81.244  35.538 -92.355
  276    H1*    C  26           H1*        C  26  83.434  35.719 -93.852
  277   1H4     C  26          1H4         C  26  85.242  37.572 -99.581
  278   2H4     C  26          2H4         C  26  85.100  35.921-100.156
  279    H5     C  26           H5         C  26  83.999  34.167 -98.895
  280    H6     C  26           H6         C  26  82.992  33.584 -96.741
  281   1H5*    C  27          1H5*        C  27  77.039  37.357 -92.725
  282   2H5*    C  27          2H5*        C  27  78.480  36.573 -92.094
  283    H4*    C  27           H4*        C  27  79.185  38.765 -92.194
  284    H3*    C  27           H3*        C  27  77.358  38.974 -94.572
  285   1H2*    C  27          1H2*        C  27  78.637  40.626 -95.540
  286   2HO*    C  27          2HO*        C  27  79.394  41.135 -92.873
  287    H1*    C  27           H1*        C  27  81.126  39.855 -94.485
  288   1H4     C  27          1H4         C  27  81.672  38.869-100.677
  289   2H4     C  27          2H4         C  27  81.059  37.245-100.460
  290    H5     C  27           H5         C  27  80.039  36.482 -98.406
  291    H6     C  27           H6         C  27  79.518  37.077 -96.085
  292   1H5*    G  28          1H5*        G  28  75.532  43.852 -93.320
  293   2H5*    G  28          2H5*        G  28  76.956  43.122 -92.594
  294    H4*    G  28           H4*        G  28  77.894  44.942 -93.657
  295    H3*    G  28           H3*        G  28  75.669  44.571 -95.629
  296   1H2*    G  28          1H2*        G  28  76.889  45.403 -97.385
  297   2HO*    G  28          2HO*        G  28  78.945  46.571 -96.869
  298    H1*    G  28           H1*        G  28  79.427  44.598 -96.567
  299    H8     G  28           H8         G  28  77.050  41.689 -96.618
  300    H1     G  28           H1         G  28  79.432  43.090-102.368
  301   1H2     G  28          1H2         G  28  80.328  46.127-100.918
  302   2H2     G  28          2H2         G  28  80.313  45.120-102.348
  303   1H5*    A  29          1H5*        A  29  74.729  49.798 -96.385
  304   2H5*    A  29          2H5*        A  29  76.176  49.230 -95.566
  305    H4*    A  29           H4*        A  29  77.101  50.252 -97.422
  306    H3*    A  29           H3*        A  29  74.543  49.432 -98.747
  307   1H2*    A  29          1H2*        A  29  75.498  49.287-100.836
  308   2HO*    A  29          2HO*        A  29  77.719  50.156-101.126
  309    H1*    A  29           H1*        A  29  77.998  48.373-100.075
  310    H8     A  29           H8         A  29  75.273  46.359 -98.423
  311   1H6     A  29          1H6         A  29  75.463  42.753-103.427
  312   2H6     A  29          2H6         A  29  74.971  42.850-101.749
  313    H2     A  29           H2         A  29  77.564  46.610-104.383
  314   1H5*    G  30          1H5*        G  30  72.757  52.401-101.884
  315   2H5*    G  30          2H5*        G  30  74.492  52.418-101.607
  316    H4*    G  30           H4*        G  30  74.364  51.293-103.621
  317    H3*    G  30           H3*        G  30  71.754  50.271-102.556
  318   1H2*    G  30          1H2*        G  30  71.856  48.347-103.809
  319   2HO*    G  30          2HO*        G  30  73.574  48.192-105.487
  320    H1*    G  30           H1*        G  30  74.581  47.920-103.683
  321    H8     G  30           H8         G  30  73.176  48.692-100.260
  322    H1     G  30           H1         G  30  72.512  42.616-102.064
  323   1H2     G  30          1H2         G  30  73.138  43.868-105.257
  324   2H2     G  30          2H2         G  30  72.776  42.475-104.263
  325   1H5*    G  31          1H5*        G  31  69.354  50.531-107.108
  326   2H5*    G  31          2H5*        G  31  71.028  50.603-106.574
  327    H4*    G  31           H4*        G  31  70.836  48.436-107.375
  328    H3*    G  31           H3*        G  31  68.073  48.505-106.204
  329   1H2*    G  31          1H2*        G  31  68.105  46.212-105.841
  330   2HO*    G  31          2HO*        G  31  69.701  44.899-106.988
  331    H1*    G  31           H1*        G  31  70.899  45.936-105.547
  332    H8     G  31           H8         G  31  69.607  48.246-102.933
  333    H1     G  31           H1         G  31  68.663  42.076-101.588
  334   1H2     G  31          1H2         G  31  69.199  41.597-105.001
  335   2H2     G  31          2H2         G  31  68.837  40.874-103.450
  336   1H5*    G  32          1H5*        G  32  66.285  45.627-110.468
  337   2H5*    G  32          2H5*        G  32  67.960  45.907-110.021
  338    H4*    G  32           H4*        G  32  67.871  43.611-109.886
  339    H3*    G  32           H3*        G  32  64.999  44.078-109.212
  340   1H2*    G  32          1H2*        G  32  64.816  42.215-107.894
  341   2HO*    G  32          2HO*        G  32  66.638  40.593-108.036
  342    H1*    G  32           H1*        G  32  67.444  42.093-106.953
  343    H8     G  32           H8         G  32  65.902  45.476-106.354
  344    H1     G  32           H1         G  32  64.481  41.175-101.864
  345   1H2     G  32          1H2         G  32  65.571  38.835-104.200
  346   2H2     G  32          2H2         G  32  64.918  39.136-102.605
  347   1H5*    U  33          1H5*        U  33  65.417  42.403-114.288
  348   2H5*    U  33          2H5*        U  33  63.644  42.394-114.063
  349    H4*    U  33           H4*        U  33  64.239  43.439-116.183
  350    H3*    U  33           H3*        U  33  66.415  44.522-114.738
  351   1H2*    U  33          1H2*        U  33  65.469  46.463-114.003
  352   2HO*    U  33          2HO*        U  33  66.482  47.692-115.397
  353    H1*    U  33           H1*        U  33  63.424  46.641-116.163
  354    H3     U  33           H3         U  33  61.692  50.051-113.858
  355    H5     U  33           H5         U  33  62.256  47.119-110.891
  356    H6     U  33           H6         U  33  63.304  45.709-112.571
  357   1H5*    C  34          1H5*        C  34  67.857  41.338-116.131
  358   2H5*    C  34          2H5*        C  34  68.122  42.107-117.726
  359    H4*    C  34           H4*        C  34  70.130  40.906-117.069
  360    H3*    C  34           H3*        C  34  69.663  42.363-114.514
  361   1H2*    C  34          1H2*        C  34  71.860  42.906-114.163
  362   2HO*    C  34          2HO*        C  34  72.828  41.061-116.072
  363    H1*    C  34           H1*        C  34  72.732  42.987-116.846
  364   1H4     C  34          1H4         C  34  71.184  48.869-114.192
  365   2H4     C  34          2H4         C  34  72.791  49.017-114.868
  366    H5     C  34           H5         C  34  69.916  46.813-114.251
  367    H6     C  34           H6         C  34  69.857  44.517-115.060
  368   1H5*    A  35          1H5*        A  35  72.954  38.546-113.355
  369   2H5*    A  35          2H5*        A  35  72.209  39.783-114.410
  370    H4*    A  35           H4*        A  35  74.210  40.804-113.917
  371    H3*    A  35           H3*        A  35  74.419  38.940-111.832
  372   1H2*    A  35          1H2*        A  35  73.643  40.104-110.103
  373   2HO*    A  35          2HO*        A  35  75.696  41.968-110.151
  374    H1*    A  35           H1*        A  35  74.215  42.823-111.128
  375    H8     A  35           H8         A  35  70.873  42.274-111.670
  376   1H6     A  35          1H6         A  35  68.797  43.079-107.378
  377   2H6     A  35          2H6         A  35  69.407  43.048-105.739
  378    H2     A  35           H2         A  35  73.795  42.177-105.997
  379   1H5*    U  36          1H5*        U  36  79.652  41.178-112.318
  380   2H5*    U  36          2H5*        U  36  78.035  41.396-112.966
  381    H4*    U  36           H4*        U  36  78.490  43.478-112.083
  382    H3*    U  36           H3*        U  36  79.949  41.994-109.911
  383   1H2*    U  36          1H2*        U  36  79.583  43.721-108.427
  384   2HO*    U  36          2HO*        U  36  79.475  45.254-110.763
  385    H1*    U  36           H1*        U  36  77.127  44.551-109.422
  386    H3     U  36           H3         U  36  76.689  43.697-104.996
  387    H5     U  36           H5         U  36  76.018  40.053-107.006
  388    H6     U  36           H6         U  36  76.952  41.054-109.006
  389   1H5*    C  37          1H5*        C  37  84.084  45.034-109.827
  390   2H5*    C  37          2H5*        C  37  82.484  45.154-110.545
  391    H4*    C  37           H4*        C  37  82.358  46.412-108.568
  392    H3*    C  37           H3*        C  37  83.898  44.140-107.323
  393   1H2*    C  37          1H2*        C  37  82.887  44.535-105.281
  394   2HO*    C  37          2HO*        C  37  81.841  46.577-104.864
  395    H1*    C  37           H1*        C  37  80.476  45.586-106.270
  396   1H4     C  37          1H4         C  37  78.854  40.367-103.162
  397   2H4     C  37          2H4         C  37  78.967  39.461-104.660
  398    H5     C  37           H5         C  37  80.007  40.347-106.664
  399    H6     C  37           H6         C  37  80.956  42.352-107.711
  400   1H5*    G  38          1H5*        G  38  87.190  47.417-104.481
  401   2H5*    G  38          2H5*        G  38  85.744  47.943-105.332
  402    H4*    G  38           H4*        G  38  85.154  48.432-103.157
  403    H3*    G  38           H3*        G  38  86.946  46.131-102.475
  404   1H2*    G  38          1H2*        G  38  85.747  45.525-100.617
  405   2HO*    G  38          2HO*        G  38  84.164  47.075 -99.715
  406    H1*    G  38           H1*        G  38  83.212  46.370-101.440
  407    H8     G  38           H8         G  38  84.784  44.031-103.947
  408    H1     G  38           H1         G  38  81.982  41.049 -99.057
  409   1H2     G  38          1H2         G  38  82.161  44.150 -97.475
  410   2H2     G  38          2H2         G  38  81.693  42.469 -97.373
  411   1H5*    G  39          1H5*        G  39  88.306  48.122 -97.926
  412   2H5*    G  39          2H5*        G  39  87.068  48.494 -99.118
  413    H4*    G  39           H4*        G  39  85.827  47.351 -97.539
  414    H3*    G  39           H3*        G  39  88.389  45.936 -96.966
  415   1H2*    G  39          1H2*        G  39  87.354  43.878 -96.617
  416   2HO*    G  39          2HO*        G  39  85.165  43.864 -95.809
  417    H1*    G  39           H1*        G  39  84.858  44.427 -97.772
  418    H8     G  39           H8         G  39  87.427  44.019-100.456
  419    H1     G  39           H1         G  39  85.029  38.581 -98.143
  420   1H2     G  39          1H2         G  39  84.071  38.959 -96.184
  421   2H2     G  39          2H2         G  39  84.021  40.549 -95.460
  422   1H5*    A  40          1H5*        A  40  89.267  46.067 -92.297
  423   2H5*    A  40          2H5*        A  40  88.246  46.999 -91.205
  424    H4*    A  40           H4*        A  40  87.568  45.092 -90.209
  425    H3*    A  40           H3*        A  40  89.431  43.859 -92.264
  426   1H2*    A  40          1H2*        A  40  88.661  41.711 -91.681
  427   2HO*    A  40          2HO*        A  40  87.231  41.382 -89.948
  428    H1*    A  40           H1*        A  40  86.088  42.284 -91.861
  429    H8     A  40           H8         A  40  87.939  44.367 -94.341
  430   1H6     A  40          1H6         A  40  87.886  39.351 -97.974
  431   2H6     A  40          2H6         A  40  88.051  41.096 -97.950
  432    H2     A  40           H2         A  40  86.866  38.069 -93.796
  433   1H5*    A  41          1H5*        A  41  90.372  41.185 -87.724
  434   2H5*    A  41          2H5*        A  41  89.172  42.305 -88.443
  435    H4*    A  41           H4*        A  41  87.896  40.368 -88.137
  436    H3*    A  41           H3*        A  41  90.498  38.996 -88.597
  437   1H2*    A  41          1H2*        A  41  89.660  37.239 -89.777
  438   2HO*    A  41          2HO*        A  41  87.720  36.375 -89.399
  439    H1*    A  41           H1*        A  41  87.494  38.440 -90.984
  440    H8     A  41           H8         A  41  90.478  40.582 -91.562
  441   1H6     A  41          1H6         A  41  92.455  38.296 -95.317
  442   2H6     A  41          2H6         A  41  92.162  36.740 -96.062
  443    H2     A  41           H2         A  41  88.836  34.802 -93.734
  444   1H5*    C  42          1H5*        C  42  89.648  35.268 -86.404
  445   2H5*    C  42          2H5*        C  42  89.403  35.920 -88.049
  446    H4*    C  42           H4*        C  42  90.551  33.522 -87.549
  447    H3*    C  42           H3*        C  42  92.683  35.596 -87.297
  448   1H2*    C  42          1H2*        C  42  94.085  34.614 -88.789
  449   2HO*    C  42          2HO*        C  42  94.178  32.431 -89.128
  450    H1*    C  42           H1*        C  42  92.281  33.268 -90.368
  451   1H4     C  42          1H4         C  42  94.633  37.809 -94.104
  452   2H4     C  42          2H4         C  42  94.218  39.055 -92.949
  453    H5     C  42           H5         C  42  93.163  38.596 -90.837
  454    H6     C  42           H6         C  42  92.283  36.843 -89.363
  455   1H5*    C  43          1H5*        C  43  94.374  31.221 -85.722
  456   2H5*    C  43          2H5*        C  43  93.993  32.286 -87.107
  457    H4*    C  43           H4*        C  43  96.012  30.492 -87.138
  458    H3*    C  43           H3*        C  43  96.990  32.941 -85.738
  459   1H2*    C  43          1H2*        C  43  98.867  33.179 -86.994
  460   2HO*    C  43          2HO*        C  43  98.856  30.831 -88.410
  461    H1*    C  43           H1*        C  43  97.925  32.242 -89.430
  462   1H4     C  43          1H4         C  43  98.351  38.604 -89.540
  463   2H4     C  43          2H4         C  43  96.914  38.747 -88.551
  464    H5     C  43           H5         C  43  95.744  36.861 -87.645
  465    H6     C  43           H6         C  43  95.657  34.384 -87.528
  466   1H5*    A  44          1H5*        A  44  99.493  32.801 -82.987
  467   2H5*    A  44          2H5*        A  44  99.960  31.716 -81.642
  468    H4*    A  44           H4*        A  44 101.518  30.610 -83.425
  469    H3*    A  44           H3*        A  44 101.835  32.930 -81.683
  470   1H2*    A  44          1H2*        A  44 102.913  34.291 -83.061
  471   2HO*    A  44          2HO*        A  44 104.606  32.059 -83.059
  472    H1*    A  44           H1*        A  44 103.270  32.454 -85.342
  473    H8     A  44           H8         A  44 100.168  34.414 -85.529
  474   1H6     A  44          1H6         A  44 101.755  38.465 -87.629
  475   2H6     A  44          2H6         A  44 103.355  39.104 -87.935
  476    H2     A  44           H2         A  44 106.288  36.109 -86.314
  477    H3T    A  44           H3T        A  44 102.634  30.758 -81.355
   
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  64.026  36.894-112.452
    2   2H5*    G   1          2H5*        G   1  64.679  38.368-111.682
    3    H4*    G   1           H4*        G   1  64.237  36.220-110.232
    4    H3*    G   1           H3*        G   1  61.611  36.857-111.184
    5   1H2*    G   1          1H2*        G   1  60.962  38.274-109.585
    6   2HO*    G   1          2HO*        G   1  61.311  35.975-107.906
    7    H1*    G   1           H1*        G   1  62.937  37.385-107.549
    8    H8     G   1           H8         G   1  63.347  40.597-109.329
    9    H1     G   1           H1         G   1  60.129  41.222-103.878
   10   1H2     G   1          1H2         G   1  59.661  37.781-104.138
   11   2H2     G   1          2H2         G   1  59.353  39.248-103.236
   12    H5T    G   1           H5T        G   1  62.529  39.131-111.539
   13   1H5*    G   2          1H5*        G   2  58.868  32.693-108.769
   14   2H5*    G   2          2H5*        G   2  60.509  32.729-108.141
   15    H4*    G   2           H4*        G   2  59.298  32.606-106.179
   16    H3*    G   2           H3*        G   2  57.202  34.123-107.701
   17   1H2*    G   2          1H2*        G   2  56.408  35.182-105.825
   18   2HO*    G   2          2HO*        G   2  57.702  33.111-104.354
   19    H1*    G   2           H1*        G   2  58.764  35.413-104.399
   20    H8     G   2           H8         G   2  59.149  36.614-107.912
   21    H1     G   2           H1         G   2  56.466  40.942-104.102
   22   1H2     G   2          1H2         G   2  56.002  38.274-101.913
   23   2H2     G   2          2H2         G   2  55.784  39.982-102.225
   24   1H5*    G   3          1H5*        G   3  53.307  31.400-105.270
   25   2H5*    G   3          2H5*        G   3  55.012  31.635-104.901
   26    H4*    G   3           H4*        G   3  53.884  32.812-103.199
   27    H3*    G   3           H3*        G   3  52.015  33.542-105.415
   28   1H2*    G   3          1H2*        G   3  51.650  35.669-104.652
   29   2HO*    G   3          2HO*        G   3  52.397  34.618-102.123
   30    H1*    G   3           H1*        G   3  54.049  36.097-103.320
   31    H8     G   3           H8         G   3  54.545  35.223-106.948
   32    H1     G   3           H1         G   3  53.260  41.377-105.897
   33   1H2     G   3          1H2         G   3  52.148  40.282-102.786
   34   2H2     G   3          2H2         G   3  52.384  41.629-103.878
   35   1H5*    A   4          1H5*        A   4  48.127  33.422-101.387
   36   2H5*    A   4          2H5*        A   4  49.877  33.390-101.227
   37    H4*    A   4           H4*        A   4  49.231  35.192 -99.872
   38    H3*    A   4           H3*        A   4  47.171  35.668-102.000
   39   1H2*    A   4          1H2*        A   4  47.240  37.959-101.784
   40   2HO*    A   4          2HO*        A   4  48.404  37.427 -99.246
   41    H1*    A   4           H1*        A   4  49.902  38.294-101.257
   42    H8     A   4           H8         A   4  49.425  35.862-104.067
   43   1H6     A   4          1H6         A   4  49.578  40.740-107.820
   44   2H6     A   4          2H6         A   4  49.742  39.000-107.724
   45    H2     A   4           H2         A   4  48.967  42.219-103.621
   46   1H5*    G   5          1H5*        G   5  43.923  38.002 -98.738
   47   2H5*    G   5          2H5*        G   5  45.655  37.707 -98.688
   48    H4*    G   5           H4*        G   5  45.516  40.020 -98.974
   49    H3*    G   5           H3*        G   5  43.155  39.361-100.698
   50   1H2*    G   5          1H2*        G   5  43.522  41.136-102.120
   51   2HO*    G   5          2HO*        G   5  44.799  42.253 -99.864
   52    H1*    G   5           H1*        G   5  46.315  41.313-101.852
   53    H8     G   5           H8         G   5  45.328  37.866-102.915
   54    H1     G   5           H1         G   5  45.729  41.966-107.780
   55   1H2     G   5          1H2         G   5  45.671  44.056-107.045
   56   2H2     G   5          2H2         G   5  45.545  44.442-105.340
   57   1H5*    C   6          1H5*        C   6  40.327  42.752 -98.129
   58   2H5*    C   6          2H5*        C   6  41.538  43.250 -99.349
   59    H4*    C   6           H4*        C   6  39.411  44.462 -99.654
   60    H3*    C   6           H3*        C   6  38.343  41.669 -99.611
   61   1H2*    C   6          1H2*        C   6  36.923  41.960-101.372
   62   2HO*    C   6          2HO*        C   6  37.185  44.776-101.011
   63    H1*    C   6           H1*        C   6  38.375  43.780-102.870
   64   1H4     C   6          1H4         C   6  38.968  38.148-105.759
   65   2H4     C   6          2H4         C   6  40.057  37.586-104.512
   66    H5     C   6           H5         C   6  40.607  38.882-102.556
   67    H6     C   6           H6         C   6  40.210  40.989-101.366
   68   1H5*    U   7          1H5*        U   7  33.737  42.691 -98.263
   69   2H5*    U   7          2H5*        U   7  34.954  43.374 -99.381
   70    H4*    U   7           H4*        U   7  33.189  42.384-100.696
   71    H3*    U   7           H3*        U   7  33.535  40.122 -98.772
   72   1H2*    U   7          1H2*        U   7  33.333  38.487-100.362
   73   2HO*    U   7          2HO*        U   7  31.323  39.345-101.135
   74    H1*    U   7           H1*        U   7  34.284  39.915-102.597
   75    H3     U   7           H3         U   7  37.011  36.365-102.688
   76    H5     U   7           H5         U   7  38.008  38.240 -99.049
   77    H6     U   7           H6         U   7  36.182  39.786 -99.415
   78   1H5*    C   8          1H5*        C   8  30.784  37.545 -97.857
   79   2H5*    C   8          2H5*        C   8  29.020  37.767 -97.646
   80    H4*    C   8           H4*        C   8  29.515  35.774 -98.995
   81    H3*    C   8           H3*        C   8  31.455  37.511-100.190
   82   1H2*    C   8          1H2*        C   8  30.416  38.143-102.056
   83   2HO*    C   8          2HO*        C   8  30.141  35.346-102.547
   84    H1*    C   8           H1*        C   8  28.157  36.274-102.049
   85   1H4     C   8          1H4         C   8  25.669  41.513-104.536
   86   2H4     C   8          2H4         C   8  26.502  42.516-103.371
   87    H5     C   8           H5         C   8  27.977  41.612-101.684
   88    H6     C   8           H6         C   8  28.981  39.607-100.759
   89   1H5*    A   9          1H5*        A   9  33.073  33.414-103.274
   90   2H5*    A   9          2H5*        A   9  31.296  33.597-103.213
   91    H4*    A   9           H4*        A   9  32.228  33.282-105.525
   92    H3*    A   9           H3*        A   9  33.646  35.792-104.723
   93   1H2*    A   9          1H2*        A   9  33.295  36.821-106.732
   94   2HO*    A   9          2HO*        A   9  32.860  35.652-108.645
   95    H1*    A   9           H1*        A   9  30.870  35.624-107.436
   96    H8     A   9           H8         A   9  29.990  37.052-104.282
   97   1H6     A   9          1H6         A   9  30.628  42.757-106.520
   98   2H6     A   9          2H6         A   9  29.984  41.796-105.208
   99    H2     A   9           H2         A   9  32.572  39.903-109.400
  100   1H5*    A  10          1H5*        A  10  37.624  33.744-108.054
  101   2H5*    A  10          2H5*        A  10  35.877  33.399-107.876
  102    H4*    A  10           H4*        A  10  36.063  33.957-110.137
  103    H3*    A  10           H3*        A  10  38.186  35.857-109.215
  104   1H2*    A  10          1H2*        A  10  37.661  37.459-110.774
  105   2HO*    A  10          2HO*        A  10  37.645  35.928-112.539
  106    H1*    A  10           H1*        A  10  34.941  37.138-110.902
  107    H8     A  10           H8         A  10  35.833  37.256-107.286
  108   1H6     A  10          1H6         A  10  36.629  43.334-107.838
  109   2H6     A  10          2H6         A  10  36.449  42.009-106.711
  110    H2     A  10           H2         A  10  36.355  41.573-111.960
  111   1H5*    C  11          1H5*        C  11  40.926  35.825-113.527
  112   2H5*    C  11          2H5*        C  11  39.156  35.665-113.327
  113    H4*    C  11           H4*        C  11  39.594  37.709-114.530
  114    H3*    C  11           H3*        C  11  41.669  38.088-112.404
  115   1H2*    C  11          1H2*        C  11  41.271  40.334-112.177
  116   2HO*    C  11          2HO*        C  11  40.241  41.555-113.807
  117    H1*    C  11           H1*        C  11  38.574  40.399-112.725
  118   1H4     C  11          1H4         C  11  39.765  39.571-106.253
  119   2H4     C  11          2H4         C  11  39.174  41.206-106.452
  120    H5     C  11           H5         C  11  40.140  38.070-108.098
  121    H6     C  11           H6         C  11  40.057  37.819-110.532
  122   1H5*    U  12          1H5*        U  12  43.801  41.383-116.037
  123   2H5*    U  12          2H5*        U  12  42.047  41.100-115.828
  124    H4*    U  12           H4*        U  12  42.565  43.503-115.916
  125    H3*    U  12           H3*        U  12  44.476  42.727-113.749
  126   1H2*    U  12          1H2*        U  12  44.026  44.570-112.459
  127   2HO*    U  12          2HO*        U  12  43.084  46.464-113.349
  128    H1*    U  12           H1*        U  12  41.345  44.966-113.167
  129    H3     U  12           H3         U  12  40.526  44.148-108.856
  130    H5     U  12           H5         U  12  43.008  40.918-109.940
  131    H6     U  12           H6         U  12  43.157  41.869-112.171
  132   1H5*    C  13          1H5*        C  13  47.451  46.847-114.804
  133   2H5*    C  13          2H5*        C  13  45.770  46.379-115.025
  134    H4*    C  13           H4*        C  13  45.860  48.091-113.331
  135    H3*    C  13           H3*        C  13  48.100  46.395-112.291
  136   1H2*    C  13          1H2*        C  13  47.525  46.745-110.070
  137   2HO*    C  13          2HO*        C  13  45.958  48.344-109.488
  138    H1*    C  13           H1*        C  13  44.864  46.582-110.268
  139   1H4     C  13          1H4         C  13  46.118  40.548-108.952
  140   2H4     C  13          2H4         C  13  46.354  40.236-110.658
  141    H5     C  13           H5         C  13  46.556  41.983-112.302
  142    H6     C  13           H6         C  13  46.406  44.396-112.691
  143   1H5*    U  14          1H5*        U  14  50.345  50.011-109.560
  144   2H5*    U  14          2H5*        U  14  48.667  49.897-110.073
  145    H4*    U  14           H4*        U  14  48.496  49.580-107.784
  146    H3*    U  14           H3*        U  14  51.123  48.128-108.034
  147   1H2*    U  14          1H2*        U  14  50.617  46.787-106.217
  148   2HO*    U  14          2HO*        U  14  48.834  47.356-104.799
  149    H1*    U  14           H1*        U  14  47.874  46.611-106.607
  150    H3     U  14           H3         U  14  49.458  42.372-106.611
  151    H5     U  14           H5         U  14  50.126  43.813-110.512
  152    H6     U  14           H6         U  14  49.640  46.040-109.700
  153   1H5*    C  15          1H5*        C  15  52.016  50.104-103.236
  154   2H5*    C  15          2H5*        C  15  50.731  49.887-104.419
  155    H4*    C  15           H4*        C  15  50.338  48.321-102.663
  156    H3*    C  15           H3*        C  15  53.277  47.740-102.959
  157   1H2*    C  15          1H2*        C  15  52.952  45.520-102.433
  158   2HO*    C  15          2HO*        C  15  50.935  44.819-101.459
  159    H1*    C  15           H1*        C  15  50.441  45.211-103.518
  160   1H4     C  15          1H4         C  15  54.114  41.892-107.404
  161   2H4     C  15          2H4         C  15  54.378  43.333-108.364
  162    H5     C  15           H5         C  15  53.800  45.552-107.595
  163    H6     C  15           H6         C  15  52.606  46.830-105.888
  164   1H5*    C  16          1H5*        C  16  53.782  46.971 -97.748
  165   2H5*    C  16          2H5*        C  16  52.413  47.079 -98.846
  166    H4*    C  16           H4*        C  16  52.515  44.814 -98.195
  167    H3*    C  16           H3*        C  16  55.484  45.120 -98.599
  168   1H2*    C  16          1H2*        C  16  55.663  42.905 -99.221
  169   2HO*    C  16          2HO*        C  16  54.046  41.371 -98.740
  170    H1*    C  16           H1*        C  16  53.213  42.631-100.440
  171   1H4     C  16          1H4         C  16  56.952  44.166-105.522
  172   2H4     C  16          2H4         C  16  57.109  42.431-105.352
  173    H5     C  16           H5         C  16  55.925  45.567-103.857
  174    H6     C  16           H6         C  16  54.774  45.598-101.689
  175   1H5*    C  17          1H5*        C  17  56.185  41.171 -95.515
  176   2H5*    C  17          2H5*        C  17  54.849  41.872 -96.415
  177    H4*    C  17           H4*        C  17  55.332  39.889 -97.565
  178    H3*    C  17           H3*        C  17  58.218  40.630 -97.138
  179   1H2*    C  17          1H2*        C  17  58.821  39.472 -99.054
  180   2HO*    C  17          2HO*        C  17  57.189  38.027-100.046
  181    H1*    C  17           H1*        C  17  56.439  39.939-100.468
  182   1H4     C  17          1H4         C  17  60.431  44.606-102.678
  183   2H4     C  17          2H4         C  17  60.723  43.223-103.712
  184    H5     C  17           H5         C  17  59.111  44.494-100.658
  185    H6     C  17           H6         C  17  57.788  43.035 -99.213
  186   1H5*    C  18          1H5*        C  18  60.465  36.444 -96.150
  187   2H5*    C  18          2H5*        C  18  58.905  36.811 -96.876
  188    H4*    C  18           H4*        C  18  60.340  36.513 -98.705
  189    H3*    C  18           H3*        C  18  62.348  38.016 -97.041
  190   1H2*    C  18          1H2*        C  18  63.320  38.946 -98.929
  191   2HO*    C  18          2HO*        C  18  63.038  37.977-100.999
  192    H1*    C  18           H1*        C  18  61.032  38.916-100.579
  193   1H4     C  18          1H4         C  18  62.266  45.034-100.013
  194   2H4     C  18          2H4         C  18  61.192  45.102 -98.630
  195    H5     C  18           H5         C  18  60.380  43.134 -97.494
  196    H6     C  18           H6         C  18  60.252  40.678 -97.567
  197   1H5*    C  19          1H5*        C  19  65.708  34.811 -99.889
  198   2H5*    C  19          2H5*        C  19  64.020  35.270-100.052
  199    H4*    C  19           H4*        C  19  64.905  36.013-102.064
  200    H3*    C  19           H3*        C  19  67.373  36.551-100.443
  201   1H2*    C  19          1H2*        C  19  68.006  38.317-101.767
  202   2HO*    C  19          2HO*        C  19  66.997  38.577-103.904
  203    H1*    C  19           H1*        C  19  65.477  39.153-102.580
  204   1H4     C  19          1H4         C  19  67.442  43.914 -98.979
  205   2H4     C  19          2H4         C  19  66.806  43.101 -97.564
  206    H5     C  19           H5         C  19  66.092  40.786 -97.578
  207    H6     C  19           H6         C  19  65.650  38.832 -98.993
  208   1H5*    C  20          1H5*        C  20  70.563  34.762-104.458
  209   2H5*    C  20          2H5*        C  20  68.889  35.247-104.679
  210    H4*    C  20           H4*        C  20  70.095  36.589-106.192
  211    H3*    C  20           H3*        C  20  72.111  36.684-103.991
  212   1H2*    C  20          1H2*        C  20  72.761  38.814-104.405
  213   2HO*    C  20          2HO*        C  20  72.038  39.846-106.461
  214    H1*    C  20           H1*        C  20  70.390  39.882-105.225
  215   1H4     C  20          1H4         C  20  70.857  42.006 -99.332
  216   2H4     C  20          2H4         C  20  70.114  40.530 -98.755
  217    H5     C  20           H5         C  20  69.805  38.586-100.151
  218    H6     C  20           H6         C  20  69.915  37.723-102.450
  219   1H5*    C  21          1H5*        C  21  75.738  36.805-106.826
  220   2H5*    C  21          2H5*        C  21  74.502  37.915-106.166
  221    H4*    C  21           H4*        C  21  76.836  38.781-105.984
  222    H3*    C  21           H3*        C  21  77.128  36.231-104.450
  223   1H2*    C  21          1H2*        C  21  78.364  37.203-102.774
  224   2HO*    C  21          2HO*        C  21  79.899  38.098-104.227
  225    H1*    C  21           H1*        C  21  77.331  39.827-102.968
  226   1H4     C  21          1H4         C  21  75.861  37.121 -97.351
  227   2H4     C  21          2H4         C  21  74.193  37.256 -97.864
  228    H5     C  21           H5         C  21  73.554  37.886-100.084
  229    H6     C  21           H6         C  21  74.337  38.525-102.325
  230   1H5*    U  22          1H5*        U  22  81.589  36.152-107.312
  231   2H5*    U  22          2H5*        U  22  81.758  37.735-106.492
  232    H4*    U  22           H4*        U  22  83.533  36.815-105.068
  233    H3*    U  22           H3*        U  22  83.732  37.338-107.830
  234   1H2*    U  22          1H2*        U  22  84.106  35.248-108.618
  235   2HO*    U  22          2HO*        U  22  86.326  34.638-108.450
  236    H1*    U  22           H1*        U  22  85.321  34.155-106.137
  237    H3     U  22           H3         U  22  84.870  31.047-109.691
  238    H5     U  22           H5         U  22  81.481  30.856-107.193
  239    H6     U  22           H6         U  22  82.217  32.913-106.146
  240   1H5*    U  23          1H5*        U  23  87.345  35.906-107.829
  241   2H5*    U  23          2H5*        U  23  88.497  36.834-108.837
  242    H4*    U  23           H4*        U  23  89.616  35.028-107.543
  243    H3*    U  23           H3*        U  23  88.237  36.441-105.316
  244   1H2*    U  23          1H2*        U  23  90.013  36.482-103.920
  245   2HO*    U  23          2HO*        U  23  90.315  34.192-104.064
  246    H1*    U  23           H1*        U  23  92.095  36.427-105.755
  247    H3     U  23           H3         U  23  93.111  40.182-103.517
  248    H5     U  23           H5         U  23  89.328  41.037-105.169
  249    H6     U  23           H6         U  23  89.254  38.758-106.006
  250   1H5*    U  24          1H5*        U  24  87.756  31.179-103.935
  251   2H5*    U  24          2H5*        U  24  89.056  32.198-104.618
  252    H4*    U  24           H4*        U  24  89.788  30.636-102.789
  253    H3*    U  24           H3*        U  24  87.803  32.320-101.309
  254   1H2*    U  24          1H2*        U  24  89.101  32.425 -99.426
  255   2HO*    U  24          2HO*        U  24  90.660  30.275-100.466
  256    H1*    U  24           H1*        U  24  91.577  32.477-100.647
  257    H3     U  24           H3         U  24  90.783  36.192 -98.061
  258    H5     U  24           H5         U  24  89.009  36.996-101.795
  259    H6     U  24           H6         U  24  89.480  34.690-102.444
  260   1H5*    U  25          1H5*        U  25  85.222  28.893 -98.626
  261   2H5*    U  25          2H5*        U  25  86.941  28.869 -98.995
  262    H4*    U  25           H4*        U  25  86.664  29.284 -96.644
  263    H3*    U  25           H3*        U  25  84.793  31.461 -97.569
  264   1H2*    U  25          1H2*        U  25  85.361  32.722 -95.675
  265   2HO*    U  25          2HO*        U  25  86.440  30.275 -94.717
  266    H1*    U  25           H1*        U  25  88.012  32.135 -95.688
  267    H3     U  25           H3         U  25  87.566  36.577 -96.494
  268    H5     U  25           H5         U  25  87.215  34.709-100.255
  269    H6     U  25           H6         U  25  87.090  32.575 -99.115
  270   1H5*    C  26          1H5*        C  26  81.161  30.843 -94.049
  271   2H5*    C  26          2H5*        C  26  82.871  30.440 -94.108
  272    H4*    C  26           H4*        C  26  82.692  32.292 -92.650
  273    H3*    C  26           H3*        C  26  80.827  33.366 -94.746
  274   1H2*    C  26          1H2*        C  26  81.461  35.545 -94.285
  275   2HO*    C  26          2HO*        C  26  82.173  34.475 -91.764
  276    H1*    C  26           H1*        C  26  84.067  35.004 -93.423
  277   1H4     C  26          1H4         C  26  85.076  38.344 -98.645
  278   2H4     C  26          2H4         C  26  85.047  36.866 -99.584
  279    H5     C  26           H5         C  26  84.283  34.751 -98.696
  280    H6     C  26           H6         C  26  83.555  33.568 -96.679
  281   1H5*    C  27          1H5*        C  27  77.471  35.988 -92.592
  282   2H5*    C  27          2H5*        C  27  77.401  35.998 -90.815
  283    H4*    C  27           H4*        C  27  78.887  37.786 -90.658
  284    H3*    C  27           H3*        C  27  77.169  38.042 -93.116
  285   1H2*    C  27          1H2*        C  27  78.237  39.952 -93.802
  286   2HO*    C  27          2HO*        C  27  78.654  40.270 -91.061
  287    H1*    C  27           H1*        C  27  80.770  39.391 -92.711
  288   1H4     C  27          1H4         C  27  81.702  39.144 -98.928
  289   2H4     C  27          2H4         C  27  81.425  37.416 -98.869
  290    H5     C  27           H5         C  27  80.433  36.305 -96.967
  291    H6     C  27           H6         C  27  79.783  36.563 -94.614
  292   1H5*    G  28          1H5*        G  28  74.502  42.306 -91.244
  293   2H5*    G  28          2H5*        G  28  76.037  41.661 -90.683
  294    H4*    G  28           H4*        G  28  76.569  43.807 -91.463
  295    H3*    G  28           H3*        G  28  74.582  43.189 -93.626
  296   1H2*    G  28          1H2*        G  28  75.745  44.384 -95.221
  297   2HO*    G  28          2HO*        G  28  77.541  45.805 -94.470
  298    H1*    G  28           H1*        G  28  78.316  43.908 -94.351
  299    H8     G  28           H8         G  28  76.359  40.690 -94.545
  300    H1     G  28           H1         G  28  78.816  42.520-100.134
  301   1H2     G  28          1H2         G  28  79.234  45.614 -98.593
  302   2H2     G  28          2H2         G  28  79.422  44.648-100.040
  303   1H5*    A  29          1H5*        A  29  73.867  48.471 -93.586
  304   2H5*    A  29          2H5*        A  29  75.031  47.279 -93.023
  305    H4*    A  29           H4*        A  29  76.129  48.581 -94.687
  306    H3*    A  29           H3*        A  29  73.605  48.127 -96.274
  307   1H2*    A  29          1H2*        A  29  74.821  48.206 -98.260
  308   2HO*    A  29          2HO*        A  29  76.833  49.442 -96.671
  309    H1*    A  29           H1*        A  29  77.104  46.960 -97.309
  310    H8     A  29           H8         A  29  74.101  44.916 -96.366
  311   1H6     A  29          1H6         A  29  74.655  42.244-101.898
  312   2H6     A  29          2H6         A  29  73.966  42.092-100.296
  313    H2     A  29           H2         A  29  77.104  46.013-101.906
  314   1H5*    G  30          1H5*        G  30  73.046  52.195 -98.969
  315   2H5*    G  30          2H5*        G  30  74.546  51.540 -98.329
  316    H4*    G  30           H4*        G  30  74.582  51.161-100.679
  317    H3*    G  30           H3*        G  30  71.744  50.269-100.241
  318   1H2*    G  30          1H2*        G  30  71.900  48.685-101.948
  319   2HO*    G  30          2HO*        G  30  74.283  50.069-102.676
  320    H1*    G  30           H1*        G  30  74.386  47.761-101.399
  321    H8     G  30           H8         G  30  72.462  48.379 -98.167
  322    H1     G  30           H1         G  30  71.289  42.766-100.923
  323   1H2     G  30          1H2         G  30  72.751  44.202-103.735
  324   2H2     G  30          2H2         G  30  71.980  42.801-103.027
  325   1H5*    G  31          1H5*        G  31  70.478  52.279-104.993
  326   2H5*    G  31          2H5*        G  31  71.940  51.823-104.122
  327    H4*    G  31           H4*        G  31  71.580  50.182-105.827
  328    H3*    G  31           H3*        G  31  68.757  50.294-104.824
  329   1H2*    G  31          1H2*        G  31  68.419  48.023-105.165
  330   2HO*    G  31          2HO*        G  31  70.017  46.810-106.435
  331    H1*    G  31           H1*        G  31  70.954  47.128-104.517
  332    H8     G  31           H8         G  31  69.712  49.555-101.904
  333    H1     G  31           H1         G  31  67.653  43.596-100.977
  334   1H2     G  31          1H2         G  31  68.532  43.062-104.286
  335   2H2     G  31          2H2         G  31  67.855  42.413-102.814
  336   1H5*    G  32          1H5*        G  32  68.025  47.830-109.093
  337   2H5*    G  32          2H5*        G  32  69.137  48.289-107.806
  338    H4*    G  32           H4*        G  32  68.798  46.002-107.476
  339    H3*    G  32           H3*        G  32  65.909  46.569-108.110
  340   1H2*    G  32          1H2*        G  32  65.214  44.878-106.674
  341   2HO*    G  32          2HO*        G  32  66.677  43.194-106.064
  342    H1*    G  32           H1*        G  32  67.434  44.953-104.929
  343    H8     G  32           H8         G  32  65.693  48.247-104.811
  344    H1     G  32           H1         G  32  62.954  43.739-101.246
  345   1H2     G  32          1H2         G  32  64.743  41.523-103.248
  346   2H2     G  32          2H2         G  32  63.614  41.735-101.930
  347   1H5*    U  33          1H5*        U  33  67.667  44.336-112.378
  348   2H5*    U  33          2H5*        U  33  66.484  43.019-112.110
  349    H4*    U  33           H4*        U  33  66.424  43.690-114.443
  350    H3*    U  33           H3*        U  33  66.981  46.256-113.483
  351   1H2*    U  33          1H2*        U  33  64.898  46.973-112.951
  352   2HO*    U  33          2HO*        U  33  64.645  46.986-115.797
  353    H1*    U  33           H1*        U  33  63.441  45.321-114.956
  354    H3     U  33           H3         U  33  60.670  47.958-112.147
  355    H5     U  33           H5         U  33  61.202  44.144-110.430
  356    H6     U  33           H6         U  33  62.974  43.740-112.039
  357   1H5*    C  34          1H5*        C  34  69.206  44.172-116.050
  358   2H5*    C  34          2H5*        C  34  70.045  45.432-117.005
  359    H4*    C  34           H4*        C  34  71.745  44.080-115.979
  360    H3*    C  34           H3*        C  34  69.961  44.297-113.582
  361   1H2*    C  34          1H2*        C  34  71.652  44.578-112.089
  362   2HO*    C  34          2HO*        C  34  73.484  43.638-114.068
  363    H1*    C  34           H1*        C  34  73.424  46.040-113.588
  364   1H4     C  34          1H4         C  34  68.704  49.086-110.030
  365   2H4     C  34          2H4         C  34  70.240  49.574-109.350
  366    H5     C  34           H5         C  34  68.522  47.675-112.018
  367    H6     C  34           H6         C  34  69.749  46.324-113.604
  368   1H5*    A  35          1H5*        A  35  73.119  39.965-113.036
  369   2H5*    A  35          2H5*        A  35  72.680  41.511-113.816
  370    H4*    A  35           H4*        A  35  74.505  42.170-112.623
  371    H3*    A  35           H3*        A  35  74.211  39.773-111.178
  372   1H2*    A  35          1H2*        A  35  73.147  40.526-109.334
  373   2HO*    A  35          2HO*        A  35  74.615  41.507-107.816
  374    H1*    A  35           H1*        A  35  74.085  43.339-109.491
  375    H8     A  35           H8         A  35  70.719  42.870-110.645
  376   1H6     A  35          1H6         A  35  68.239  43.723-106.600
  377   2H6     A  35          2H6         A  35  68.667  43.676-104.907
  378    H2     A  35           H2         A  35  73.032  42.627-104.683
  379   1H5*    U  36          1H5*        U  36  79.497  41.739-110.549
  380   2H5*    U  36          2H5*        U  36  77.926  42.190-111.185
  381    H4*    U  36           H4*        U  36  78.565  44.045-109.943
  382    H3*    U  36           H3*        U  36  79.639  42.059-107.953
  383   1H2*    U  36          1H2*        U  36  79.313  43.569-106.236
  384   2HO*    U  36          2HO*        U  36  79.030  45.816-106.648
  385    H1*    U  36           H1*        U  36  77.070  44.852-107.294
  386    H3     U  36           H3         U  36  76.118  43.405-103.094
  387    H5     U  36           H5         U  36  75.330  40.187-105.689
  388    H6     U  36           H6         U  36  76.483  41.379-107.438
  389   1H5*    C  37          1H5*        C  37  83.498  45.558-107.438
  390   2H5*    C  37          2H5*        C  37  81.895  45.305-108.121
  391    H4*    C  37           H4*        C  37  81.658  46.615-106.132
  392    H3*    C  37           H3*        C  37  83.335  44.455-104.848
  393   1H2*    C  37          1H2*        C  37  82.218  44.800-102.849
  394   2HO*    C  37          2HO*        C  37  80.974  46.742-102.511
  395    H1*    C  37           H1*        C  37  79.766  45.590-103.961
  396   1H4     C  37          1H4         C  37  78.782  40.211-100.817
  397   2H4     C  37          2H4         C  37  79.000  39.326-102.312
  398    H5     C  37           H5         C  37  79.898  40.327-104.318
  399    H6     C  37           H6         C  37  80.544  42.433-105.383
  400   1H5*    G  38          1H5*        G  38  86.166  48.233-102.080
  401   2H5*    G  38          2H5*        G  38  84.648  48.430-102.947
  402    H4*    G  38           H4*        G  38  84.126  49.025-100.737
  403    H3*    G  38           H3*        G  38  85.977  46.775-100.024
  404   1H2*    G  38          1H2*        G  38  84.784  46.195 -98.138
  405   2HO*    G  38          2HO*        G  38  83.065  47.673 -97.379
  406    H1*    G  38           H1*        G  38  82.248  46.715 -99.060
  407    H8     G  38           H8         G  38  84.253  44.764-101.604
  408    H1     G  38           H1         G  38  81.595  41.128 -97.095
  409   1H2     G  38          1H2         G  38  81.223  44.110 -95.339
  410   2H2     G  38          2H2         G  38  80.995  42.377 -95.367
  411   1H5*    G  39          1H5*        G  39  87.796  48.600 -95.696
  412   2H5*    G  39          2H5*        G  39  86.290  48.906 -96.547
  413    H4*    G  39           H4*        G  39  85.725  47.659 -94.610
  414    H3*    G  39           H3*        G  39  87.998  45.843 -95.417
  415   1H2*    G  39          1H2*        G  39  86.926  44.082 -94.332
  416   2HO*    G  39          2HO*        G  39  85.067  44.491 -92.989
  417    H1*    G  39           H1*        G  39  84.362  44.787 -95.070
  418    H8     G  39           H8         G  39  86.541  44.922 -98.109
  419    H1     G  39           H1         G  39  84.831  38.977 -96.543
  420   1H2     G  39          1H2         G  39  84.105  38.918 -94.451
  421   2H2     G  39          2H2         G  39  84.029  40.348 -93.444
  422   1H5*    A  40          1H5*        A  40  90.455  45.297 -90.777
  423   2H5*    A  40          2H5*        A  40  88.792  45.834 -90.963
  424    H4*    A  40           H4*        A  40  88.522  43.791 -89.896
  425    H3*    A  40           H3*        A  40  90.930  42.972 -91.486
  426   1H2*    A  40          1H2*        A  40  90.234  40.794 -91.657
  427   2HO*    A  40          2HO*        A  40  88.567  39.978 -90.195
  428    H1*    A  40           H1*        A  40  87.484  41.200 -91.549
  429    H8     A  40           H8         A  40  89.056  43.125 -94.376
  430   1H6     A  40          1H6         A  40  88.113  38.066 -97.758
  431   2H6     A  40          2H6         A  40  88.390  39.793 -97.808
  432    H2     A  40           H2         A  40  87.762  36.927 -93.420
  433   1H5*    A  41          1H5*        A  41  91.337  39.756 -87.168
  434   2H5*    A  41          2H5*        A  41  89.943  40.598 -87.907
  435    H4*    A  41           H4*        A  41  89.372  38.266 -87.627
  436    H3*    A  41           H3*        A  41  92.074  37.832 -88.840
  437   1H2*    A  41          1H2*        A  41  91.404  36.063 -90.142
  438   2HO*    A  41          2HO*        A  41  89.074  35.866 -88.510
  439    H1*    A  41           H1*        A  41  88.838  36.848 -90.718
  440    H8     A  41           H8         A  41  91.695  39.379 -91.032
  441   1H6     A  41          1H6         A  41  92.904  38.559 -95.637
  442   2H6     A  41          2H6         A  41  92.401  37.360 -96.807
  443    H2     A  41           H2         A  41  89.370  34.746 -94.766
  444   1H5*    C  42          1H5*        C  42  92.890  33.473 -86.785
  445   2H5*    C  42          2H5*        C  42  91.605  33.815 -87.980
  446    H4*    C  42           H4*        C  42  93.095  31.857 -88.543
  447    H3*    C  42           H3*        C  42  95.106  34.067 -88.484
  448   1H2*    C  42          1H2*        C  42  96.104  33.439 -90.426
  449   2HO*    C  42          2HO*        C  42  96.028  31.303 -91.207
  450    H1*    C  42           H1*        C  42  93.998  32.190 -91.682
  451   1H4     C  42          1H4         C  42  95.258  37.352 -95.132
  452   2H4     C  42          2H4         C  42  94.928  38.404 -93.774
  453    H5     C  42           H5         C  42  94.320  37.590 -91.593
  454    H6     C  42           H6         C  42  93.913  35.586 -90.236
  455   1H5*    C  43          1H5*        C  43  98.390  30.155 -88.345
  456   2H5*    C  43          2H5*        C  43  96.896  30.530 -89.254
  457    H4*    C  43           H4*        C  43  98.791  29.816 -90.714
  458    H3*    C  43           H3*        C  43 100.064  32.146 -89.338
  459   1H2*    C  43          1H2*        C  43 101.016  32.991 -91.233
  460   2HO*    C  43          2HO*        C  43 100.567  30.468 -92.488
  461    H1*    C  43           H1*        C  43  99.075  32.281 -93.084
  462   1H4     C  43          1H4         C  43  98.554  38.517 -91.882
  463   2H4     C  43          2H4         C  43  97.862  38.187 -90.309
  464    H5     C  43           H5         C  43  97.623  35.967 -89.411
  465    H6     C  43           H6         C  43  97.924  33.559 -89.866
  466   1H5*    A  44          1H5*        A  44 103.515  27.539 -88.716
  467   2H5*    A  44          2H5*        A  44 102.386  28.206 -89.935
  468    H4*    A  44           H4*        A  44 104.643  27.933 -90.868
  469    H3*    A  44           H3*        A  44 105.400  29.166 -88.332
  470   1H2*    A  44          1H2*        A  44 106.055  31.154 -89.071
  471   2HO*    A  44          2HO*        A  44 108.056  30.103 -89.504
  472    H1*    A  44           H1*        A  44 105.813  30.654 -91.972
  473    H8     A  44           H8         A  44 102.851  32.069 -90.208
  474   1H6     A  44          1H6         A  44 103.727  36.795 -90.731
  475   2H6     A  44          2H6         A  44 105.124  37.696 -91.276
  476    H2     A  44           H2         A  44 108.300  34.687 -92.300
  477    H3T    A  44           H3T        A  44 106.893  28.043 -90.490
   
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  63.448  38.842-114.632
    2   2H5*    G   1          2H5*        G   1  64.193  40.068-113.568
    3    H4*    G   1           H4*        G   1  63.733  37.622-112.681
    4    H3*    G   1           H3*        G   1  61.087  38.645-113.180
    5   1H2*    G   1          1H2*        G   1  60.623  39.500-111.178
    6   2HO*    G   1          2HO*        G   1  61.127  36.842-110.228
    7    H1*    G   1           H1*        G   1  62.760  38.118-109.671
    8    H8     G   1           H8         G   1  63.078  41.657-110.694
    9    H1     G   1           H1         G   1  60.386  41.038-104.965
   10   1H2     G   1          1H2         G   1  59.837  37.737-105.923
   11   2H2     G   1          2H2         G   1  59.636  38.970-104.696
   12    H5T    G   1           H5T        G   1  62.111  40.848-113.127
   13   1H5*    G   2          1H5*        G   2  58.369  33.999-111.711
   14   2H5*    G   2          2H5*        G   2  60.080  33.883-111.323
   15    H4*    G   2           H4*        G   2  59.137  33.245-109.308
   16    H3*    G   2           H3*        G   2  56.890  35.058-110.121
   17   1H2*    G   2          1H2*        G   2  56.380  35.672-107.973
   18   2HO*    G   2          2HO*        G   2  57.799  33.328-107.195
   19    H1*    G   2           H1*        G   2  58.891  35.647-106.856
   20    H8     G   2           H8         G   2  58.861  37.428-110.138
   21    H1     G   2           H1         G   2  56.907  41.092-105.321
   22   1H2     G   2          1H2         G   2  56.595  38.103-103.569
   23   2H2     G   2          2H2         G   2  56.423  39.845-103.561
   24   1H5*    G   3          1H5*        G   3  53.445  31.934-107.561
   25   2H5*    G   3          2H5*        G   3  55.195  32.131-107.527
   26    H4*    G   3           H4*        G   3  54.465  33.007-105.458
   27    H3*    G   3           H3*        G   3  52.200  34.059-107.099
   28   1H2*    G   3          1H2*        G   3  52.050  36.043-105.973
   29   2HO*    G   3          2HO*        G   3  53.252  34.616-103.837
   30    H1*    G   3           H1*        G   3  54.686  36.293-105.124
   31    H8     G   3           H8         G   3  54.400  35.918-108.858
   32    H1     G   3           H1         G   3  53.558  41.880-106.773
   33   1H2     G   3          1H2         G   3  53.048  40.386-103.669
   34   2H2     G   3          2H2         G   3  53.108  41.866-104.602
   35   1H5*    A   4          1H5*        A   4  49.250  33.157-102.389
   36   2H5*    A   4          2H5*        A   4  50.990  33.116-102.632
   37    H4*    A   4           H4*        A   4  50.695  34.604-100.833
   38    H3*    A   4           H3*        A   4  48.269  35.485-102.357
   39   1H2*    A   4          1H2*        A   4  48.470  37.694-101.729
   40   2HO*    A   4          2HO*        A   4  50.108  36.674 -99.642
   41    H1*    A   4           H1*        A   4  51.188  37.931-101.741
   42    H8     A   4           H8         A   4  50.053  36.020-104.758
   43   1H6     A   4          1H6         A   4  49.584  41.469-107.578
   44   2H6     A   4          2H6         A   4  49.705  39.741-107.814
   45    H2     A   4           H2         A   4  49.912  42.207-103.158
   46   1H5*    G   5          1H5*        G   5  45.639  36.928 -98.174
   47   2H5*    G   5          2H5*        G   5  47.343  36.647 -98.513
   48    H4*    G   5           H4*        G   5  47.143  38.992 -98.391
   49    H3*    G   5           H3*        G   5  44.552  38.510 -99.804
   50   1H2*    G   5          1H2*        G   5  44.682  40.423-101.066
   51   2HO*    G   5          2HO*        G   5  46.063  42.177-100.429
   52    H1*    G   5           H1*        G   5  47.477  40.649-101.225
   53    H8     G   5           H8         G   5  46.407  37.283-102.443
   54    H1     G   5           H1         G   5  45.980  41.811-106.906
   55   1H2     G   5          1H2         G   5  45.957  43.824-105.979
   56   2H2     G   5          2H2         G   5  46.065  44.051-104.244
   57   1H5*    C   6          1H5*        C   6  42.186  41.880 -97.174
   58   2H5*    C   6          2H5*        C   6  43.252  42.133 -98.589
   59    H4*    C   6           H4*        C   6  41.149  43.412 -98.797
   60    H3*    C   6           H3*        C   6  39.992  40.707 -98.260
   61   1H2*    C   6          1H2*        C   6  38.376  40.850 -99.867
   62   2HO*    C   6          2HO*        C   6  37.627  42.925 -99.160
   63    H1*    C   6           H1*        C   6  39.711  42.356-101.762
   64   1H4     C   6          1H4         C   6  39.802  36.351-103.852
   65   2H4     C   6          2H4         C   6  40.998  35.917-102.651
   66    H5     C   6           H5         C   6  41.789  37.443-100.962
   67    H6     C   6           H6         C   6  41.597  39.715-100.059
   68   1H5*    U   7          1H5*        U   7  35.660  42.292 -96.269
   69   2H5*    U   7          2H5*        U   7  36.720  42.807 -97.615
   70    H4*    U   7           H4*        U   7  34.716  41.907 -98.581
   71    H3*    U   7           H3*        U   7  35.121  39.757 -96.540
   72   1H2*    U   7          1H2*        U   7  34.504  38.054 -97.943
   73   2HO*    U   7          2HO*        U   7  32.516  39.259 -98.487
   74    H1*    U   7           H1*        U   7  35.255  39.209-100.400
   75    H3     U   7           H3         U   7  37.539  35.358-100.566
   76    H5     U   7           H5         U   7  39.290  37.370 -97.304
   77    H6     U   7           H6         U   7  37.597  39.088 -97.534
   78   1H5*    C   8          1H5*        C   8  32.123  37.575 -95.371
   79   2H5*    C   8          2H5*        C   8  30.475  37.975 -94.796
   80    H4*    C   8           H4*        C   8  30.374  36.132 -96.381
   81    H3*    C   8           H3*        C   8  32.371  37.682 -97.768
   82   1H2*    C   8          1H2*        C   8  31.183  38.520 -99.451
   83   2HO*    C   8          2HO*        C   8  31.688  36.495-100.454
   84    H1*    C   8           H1*        C   8  28.663  37.073 -99.089
   85   1H4     C   8          1H4         C   8  26.822  42.812-100.975
   86   2H4     C   8          2H4         C   8  28.021  43.578 -99.958
   87    H5     C   8           H5         C   8  29.559  42.325 -98.580
   88    H6     C   8           H6         C   8  30.304  40.120 -97.893
   89   1H5*    A   9          1H5*        A   9  33.081  33.629-101.250
   90   2H5*    A   9          2H5*        A   9  31.342  33.899-100.936
   91    H4*    A   9           H4*        A   9  31.896  33.690-103.361
   92    H3*    A   9           H3*        A   9  33.659  36.001-102.648
   93   1H2*    A   9          1H2*        A   9  33.132  37.194-104.524
   94   2HO*    A   9          2HO*        A   9  33.594  35.442-105.965
   95    H1*    A   9           H1*        A   9  30.516  36.320-104.907
   96    H8     A   9           H8         A   9  30.251  37.528-101.563
   97   1H6     A   9          1H6         A   9  31.264  43.320-103.399
   98   2H6     A   9          2H6         A   9  30.692  42.310-102.089
   99    H2     A   9           H2         A   9  32.449  40.565-106.751
  100   1H5*    A  10          1H5*        A  10  36.827  33.958-106.705
  101   2H5*    A  10          2H5*        A  10  35.096  33.791-106.282
  102    H4*    A  10           H4*        A  10  35.015  34.608-108.467
  103    H3*    A  10           H3*        A  10  37.482  36.125-107.707
  104   1H2*    A  10          1H2*        A  10  36.947  37.952-108.995
  105   2HO*    A  10          2HO*        A  10  35.416  37.835-110.690
  106    H1*    A  10           H1*        A  10  34.215  37.952-108.718
  107    H8     A  10           H8         A  10  35.636  37.558-105.298
  108   1H6     A  10          1H6         A  10  37.116  43.532-105.381
  109   2H6     A  10          2H6         A  10  36.934  42.117-104.372
  110    H2     A  10           H2         A  10  36.018  42.298-109.557
  111   1H5*    C  11          1H5*        C  11  39.462  36.306-112.388
  112   2H5*    C  11          2H5*        C  11  37.750  36.362-111.873
  113    H4*    C  11           H4*        C  11  38.317  38.460-112.941
  114    H3*    C  11           H3*        C  11  40.704  38.303-111.139
  115   1H2*    C  11          1H2*        C  11  40.672  40.538-110.623
  116   2HO*    C  11          2HO*        C  11  39.599  42.070-111.943
  117    H1*    C  11           H1*        C  11  37.958  41.012-110.748
  118   1H4     C  11          1H4         C  11  39.893  39.313-104.638
  119   2H4     C  11          2H4         C  11  39.497  41.016-104.589
  120    H5     C  11           H5         C  11  39.818  37.999-106.654
  121    H6     C  11           H6         C  11  39.374  38.036-109.061
  122   1H5*    U  12          1H5*        U  12  42.770  41.727-114.789
  123   2H5*    U  12          2H5*        U  12  41.035  41.492-114.427
  124    H4*    U  12           H4*        U  12  41.599  43.866-114.358
  125    H3*    U  12           H3*        U  12  43.777  42.881-112.558
  126   1H2*    U  12          1H2*        U  12  43.572  44.623-111.079
  127   2HO*    U  12          2HO*        U  12  42.176  46.043-113.118
  128    H1*    U  12           H1*        U  12  40.832  45.117-111.346
  129    H3     U  12           H3         U  12  40.649  43.953-107.042
  130    H5     U  12           H5         U  12  42.861  40.795-108.745
  131    H6     U  12           H6         U  12  42.690  41.920-110.890
  132   1H5*    C  13          1H5*        C  13  46.534  47.169-113.646
  133   2H5*    C  13          2H5*        C  13  44.840  46.695-113.677
  134    H4*    C  13           H4*        C  13  45.115  48.316-111.923
  135    H3*    C  13           H3*        C  13  47.516  46.645-111.279
  136   1H2*    C  13          1H2*        C  13  47.235  46.863-108.980
  137   2HO*    C  13          2HO*        C  13  45.729  48.377-108.106
  138    H1*    C  13           H1*        C  13  44.598  46.591-108.823
  139   1H4     C  13          1H4         C  13  46.248  40.534-108.211
  140   2H4     C  13          2H4         C  13  46.270  40.374-109.953
  141    H5     C  13           H5         C  13  46.182  42.257-111.449
  142    H6     C  13           H6         C  13  45.905  44.686-111.601
  143   1H5*    U  14          1H5*        U  14  50.283  50.387-109.061
  144   2H5*    U  14          2H5*        U  14  48.531  50.321-109.225
  145    H4*    U  14           H4*        U  14  48.850  50.115-106.926
  146    H3*    U  14           H3*        U  14  51.289  48.530-107.684
  147   1H2*    U  14          1H2*        U  14  51.097  47.145-105.838
  148   2HO*    U  14          2HO*        U  14  49.673  47.720-104.077
  149    H1*    U  14           H1*        U  14  48.357  47.009-105.670
  150    H3     U  14           H3         U  14  49.765  42.779-106.395
  151    H5     U  14           H5         U  14  49.668  44.567-110.207
  152    H6     U  14           H6         U  14  49.430  46.714-109.124
  153   1H5*    C  15          1H5*        C  15  53.185  50.209-103.072
  154   2H5*    C  15          2H5*        C  15  51.684  50.137-103.987
  155    H4*    C  15           H4*        C  15  51.533  48.478-102.282
  156    H3*    C  15           H3*        C  15  54.340  47.837-103.133
  157   1H2*    C  15          1H2*        C  15  54.045  45.579-102.760
  158   2HO*    C  15          2HO*        C  15  52.236  44.812-101.499
  159    H1*    C  15           H1*        C  15  51.383  45.384-103.409
  160   1H4     C  15          1H4         C  15  54.118  42.567-108.320
  161   2H4     C  15          2H4         C  15  54.234  44.116-109.126
  162    H5     C  15           H5         C  15  53.897  46.222-107.989
  163    H6     C  15           H6         C  15  53.107  47.278-105.933
  164   1H5*    C  16          1H5*        C  16  55.406  46.347 -98.259
  165   2H5*    C  16          2H5*        C  16  53.998  46.711 -99.250
  166    H4*    C  16           H4*        C  16  54.133  44.333 -99.039
  167    H3*    C  16           H3*        C  16  57.021  44.776 -99.739
  168   1H2*    C  16          1H2*        C  16  57.098  42.811-100.929
  169   2HO*    C  16          2HO*        C  16  54.971  42.035 -99.242
  170    H1*    C  16           H1*        C  16  54.440  42.667-101.699
  171   1H4     C  16          1H4         C  16  57.580  45.004-106.907
  172   2H4     C  16          2H4         C  16  57.623  43.262-107.081
  173    H5     C  16           H5         C  16  56.855  46.111-104.883
  174    H6     C  16           H6         C  16  56.021  45.757-102.591
  175   1H5*    C  17          1H5*        C  17  57.660  40.336 -96.567
  176   2H5*    C  17          2H5*        C  17  56.261  41.118 -97.294
  177    H4*    C  17           H4*        C  17  56.275  38.886 -98.117
  178    H3*    C  17           H3*        C  17  59.207  39.382 -98.389
  179   1H2*    C  17          1H2*        C  17  59.417  38.154-100.329
  180   2HO*    C  17          2HO*        C  17  56.857  37.066 -99.668
  181    H1*    C  17           H1*        C  17  57.023  38.816-101.504
  182   1H4     C  17          1H4         C  17  60.815  43.896-103.162
  183   2H4     C  17          2H4         C  17  60.965  42.750-104.475
  184    H5     C  17           H5         C  17  59.691  43.394-101.096
  185    H6     C  17           H6         C  17  58.509  41.665 -99.815
  186   1H5*    C  18          1H5*        C  18  61.482  35.381 -97.303
  187   2H5*    C  18          2H5*        C  18  59.880  35.748 -97.931
  188    H4*    C  18           H4*        C  18  61.238  35.559 -99.840
  189    H3*    C  18           H3*        C  18  63.266  37.055 -98.197
  190   1H2*    C  18          1H2*        C  18  64.117  38.124-100.065
  191   2HO*    C  18          2HO*        C  18  63.791  37.261-102.172
  192    H1*    C  18           H1*        C  18  61.765  38.099-101.619
  193   1H4     C  18          1H4         C  18  62.737  44.220-100.751
  194   2H4     C  18          2H4         C  18  61.747  44.158 -99.308
  195    H5     C  18           H5         C  18  61.112  42.086 -98.232
  196    H6     C  18           H6         C  18  61.090  39.637 -98.451
  197   1H5*    C  19          1H5*        C  19  66.581  34.026-101.256
  198   2H5*    C  19          2H5*        C  19  64.891  34.512-101.275
  199    H4*    C  19           H4*        C  19  65.724  35.358-103.291
  200    H3*    C  19           H3*        C  19  68.193  35.942-101.684
  201   1H2*    C  19          1H2*        C  19  68.694  37.811-102.926
  202   2HO*    C  19          2HO*        C  19  67.670  38.116-105.031
  203    H1*    C  19           H1*        C  19  66.101  38.519-103.662
  204   1H4     C  19          1H4         C  19  67.863  43.284 -99.969
  205   2H4     C  19          2H4         C  19  67.282  42.404 -98.569
  206    H5     C  19           H5         C  19  66.687  40.056 -98.634
  207    H6     C  19           H6         C  19  66.340  38.113-100.094
  208   1H5*    C  20          1H5*        C  20  71.406  34.508-105.832
  209   2H5*    C  20          2H5*        C  20  69.700  34.901-105.984
  210    H4*    C  20           H4*        C  20  70.779  36.403-107.446
  211    H3*    C  20           H3*        C  20  72.843  36.477-105.293
  212   1H2*    C  20          1H2*        C  20  73.356  38.666-105.565
  213   2HO*    C  20          2HO*        C  20  72.579  39.794-107.532
  214    H1*    C  20           H1*        C  20  70.907  39.635-106.305
  215   1H4     C  20          1H4         C  20  71.311  41.550-100.343
  216   2H4     C  20          2H4         C  20  70.664  40.010 -99.819
  217    H5     C  20           H5         C  20  70.470  38.102-101.286
  218    H6     C  20           H6         C  20  70.615  37.336-103.615
  219   1H5*    C  21          1H5*        C  21  76.432  36.918-108.281
  220   2H5*    C  21          2H5*        C  21  75.129  37.925-107.584
  221    H4*    C  21           H4*        C  21  77.358  38.985-107.388
  222    H3*    C  21           H3*        C  21  77.957  36.389-106.026
  223   1H2*    C  21          1H2*        C  21  79.159  37.372-104.336
  224   2HO*    C  21          2HO*        C  21  80.533  38.505-105.796
  225    H1*    C  21           H1*        C  21  77.875  39.885-104.320
  226   1H4     C  21          1H4         C  21  76.902  36.630 -98.878
  227   2H4     C  21          2H4         C  21  75.209  36.648 -99.318
  228    H5     C  21           H5         C  21  74.419  37.386-101.458
  229    H6     C  21           H6         C  21  75.045  38.285-103.655
  230   1H5*    U  22          1H5*        U  22  82.619  38.317-108.121
  231   2H5*    U  22          2H5*        U  22  82.577  39.720-107.011
  232    H4*    U  22           H4*        U  22  83.995  38.523-105.414
  233    H3*    U  22           H3*        U  22  84.799  39.476-107.944
  234   1H2*    U  22          1H2*        U  22  85.358  37.522-108.955
  235   2HO*    U  22          2HO*        U  22  87.488  36.859-108.434
  236    H1*    U  22           H1*        U  22  86.003  36.032-106.461
  237    H3     U  22           H3         U  22  86.568  32.848-109.671
  238    H5     U  22           H5         U  22  82.446  33.717-109.723
  239    H6     U  22           H6         U  22  82.879  35.558-108.212
  240   1H5*    U  23          1H5*        U  23  88.380  38.027-107.535
  241   2H5*    U  23          2H5*        U  23  89.499  39.241-108.224
  242    H4*    U  23           H4*        U  23  90.677  37.267-107.249
  243    H3*    U  23           H3*        U  23  89.092  38.121-104.882
  244   1H2*    U  23          1H2*        U  23  90.797  38.009-103.402
  245   2HO*    U  23          2HO*        U  23  92.141  36.261-105.196
  246    H1*    U  23           H1*        U  23  92.958  38.439-105.090
  247    H3     U  23           H3         U  23  93.683  41.828-102.258
  248    H5     U  23           H5         U  23  89.787  42.595-103.680
  249    H6     U  23           H6         U  23  89.908  40.516-104.931
  250   1H5*    U  24          1H5*        U  24  89.044  32.675-104.571
  251   2H5*    U  24          2H5*        U  24  90.257  33.939-104.923
  252    H4*    U  24           H4*        U  24  91.027  32.106-103.364
  253    H3*    U  24           H3*        U  24  88.791  33.295-101.779
  254   1H2*    U  24          1H2*        U  24  89.940  33.213 -99.803
  255   2HO*    U  24          2HO*        U  24  91.784  31.862 -99.532
  256    H1*    U  24           H1*        U  24  92.494  33.633-100.801
  257    H3     U  24           H3         U  24  91.382  36.800 -97.682
  258    H5     U  24           H5         U  24  89.647  38.109-101.291
  259    H6     U  24           H6         U  24  90.292  35.981-102.298
  260   1H5*    U  25          1H5*        U  25  85.904  29.467-100.367
  261   2H5*    U  25          2H5*        U  25  87.660  29.446-100.291
  262    H4*    U  25           H4*        U  25  86.831  29.579 -98.053
  263    H3*    U  25           H3*        U  25  85.137  31.832 -99.123
  264   1H2*    U  25          1H2*        U  25  85.243  32.891 -97.044
  265   2HO*    U  25          2HO*        U  25  86.000  31.775 -95.180
  266    H1*    U  25           H1*        U  25  87.794  32.205 -96.419
  267    H3     U  25           H3         U  25  87.414  36.732 -96.537
  268    H5     U  25           H5         U  25  88.228  35.553-100.499
  269    H6     U  25           H6         U  25  87.856  33.254 -99.826
  270   1H5*    C  26          1H5*        C  26  80.862  30.320 -96.427
  271   2H5*    C  26          2H5*        C  26  82.587  29.993 -96.289
  272    H4*    C  26           H4*        C  26  82.013  31.459 -94.494
  273    H3*    C  26           H3*        C  26  80.471  32.860 -96.636
  274   1H2*    C  26          1H2*        C  26  80.946  34.959 -95.843
  275   2HO*    C  26          2HO*        C  26  81.314  33.626 -93.374
  276    H1*    C  26           H1*        C  26  83.418  34.439 -94.660
  277   1H4     C  26          1H4         C  26  85.141  38.048 -99.510
  278   2H4     C  26          2H4         C  26  85.220  36.628-100.530
  279    H5     C  26           H5         C  26  84.323  34.482 -99.880
  280    H6     C  26           H6         C  26  83.332  33.193 -98.047
  281   1H5*    C  27          1H5*        C  27  77.008  35.375 -94.344
  282   2H5*    C  27          2H5*        C  27  76.873  35.117 -92.588
  283    H4*    C  27           H4*        C  27  78.393  36.818 -92.111
  284    H3*    C  27           H3*        C  27  76.777  37.474 -94.560
  285   1H2*    C  27          1H2*        C  27  77.930  39.403 -94.977
  286   2HO*    C  27          2HO*        C  27  78.220  39.397 -92.217
  287    H1*    C  27           H1*        C  27  80.412  38.633 -93.915
  288   1H4     C  27          1H4         C  27  81.533  38.971-100.091
  289   2H4     C  27          2H4         C  27  81.160  37.265-100.222
  290    H5     C  27           H5         C  27  80.047  36.023 -98.475
  291    H6     C  27           H6         C  27  79.314  36.080 -96.134
  292   1H5*    G  28          1H5*        G  28  74.185  41.623 -92.385
  293   2H5*    G  28          2H5*        G  28  75.667  40.914 -91.759
  294    H4*    G  28           H4*        G  28  76.301  43.099 -92.307
  295    H3*    G  28           H3*        G  28  74.405  42.745 -94.603
  296   1H2*    G  28          1H2*        G  28  75.655  44.030 -96.044
  297   2HO*    G  28          2HO*        G  28  77.436  45.351 -95.147
  298    H1*    G  28           H1*        G  28  78.177  43.396 -95.157
  299    H8     G  28           H8         G  28  76.087  40.287 -95.591
  300    H1     G  28           H1         G  28  78.804  42.309-100.984
  301   1H2     G  28          1H2         G  28  79.290  45.299 -99.266
  302   2H2     G  28          2H2         G  28  79.488  44.405-100.756
  303   1H5*    A  29          1H5*        A  29  73.793  47.974 -94.396
  304   2H5*    A  29          2H5*        A  29  74.955  46.783 -93.827
  305    H4*    A  29           H4*        A  29  76.095  48.104 -95.436
  306    H3*    A  29           H3*        A  29  73.602  47.721 -97.090
  307   1H2*    A  29          1H2*        A  29  74.871  47.904 -99.041
  308   2HO*    A  29          2HO*        A  29  77.093  48.637 -98.912
  309    H1*    A  29           H1*        A  29  77.130  46.615 -98.077
  310    H8     A  29           H8         A  29  74.121  44.497 -97.357
  311   1H6     A  29          1H6         A  29  74.906  42.132-103.002
  312   2H6     A  29          2H6         A  29  74.173  41.881-101.432
  313    H2     A  29           H2         A  29  77.280  45.938-102.730
  314   1H5*    G  30          1H5*        G  30  72.926  51.830 -99.646
  315   2H5*    G  30          2H5*        G  30  74.458  51.260 -98.999
  316    H4*    G  30           H4*        G  30  74.557  50.905-101.343
  317    H3*    G  30           H3*        G  30  71.748  49.895-100.981
  318   1H2*    G  30          1H2*        G  30  72.001  48.339-102.699
  319   2HO*    G  30          2HO*        G  30  73.950  48.401-104.024
  320    H1*    G  30           H1*        G  30  74.526  47.527-102.139
  321    H8     G  30           H8         G  30  72.531  47.944 -98.921
  322    H1     G  30           H1         G  30  71.676  42.376-101.877
  323   1H2     G  30          1H2         G  30  73.048  43.996-104.633
  324   2H2     G  30          2H2         G  30  72.356  42.528-103.979
  325   1H5*    G  31          1H5*        G  31  70.410  51.950-105.705
  326   2H5*    G  31          2H5*        G  31  71.913  51.538-104.883
  327    H4*    G  31           H4*        G  31  71.623  49.960-106.656
  328    H3*    G  31           H3*        G  31  68.811  49.890-105.630
  329   1H2*    G  31          1H2*        G  31  68.570  47.623-106.070
  330   2HO*    G  31          2HO*        G  31  70.229  46.541-107.392
  331    H1*    G  31           H1*        G  31  71.137  46.809-105.463
  332    H8     G  31           H8         G  31  69.792  49.118-102.786
  333    H1     G  31           H1         G  31  68.072  43.035-101.955
  334   1H2     G  31          1H2         G  31  68.951  42.610-105.277
  335   2H2     G  31          2H2         G  31  68.322  41.901-103.811
  336   1H5*    G  32          1H5*        G  32  68.090  47.584-109.981
  337   2H5*    G  32          2H5*        G  32  69.219  48.052-108.713
  338    H4*    G  32           H4*        G  32  68.999  45.748-108.438
  339    H3*    G  32           H3*        G  32  66.075  46.185-109.007
  340   1H2*    G  32          1H2*        G  32  65.487  44.428-107.596
  341   2HO*    G  32          2HO*        G  32  67.929  43.461-108.487
  342    H1*    G  32           H1*        G  32  67.760  44.545-105.913
  343    H8     G  32           H8         G  32  65.863  47.733-105.586
  344    H1     G  32           H1         G  32  63.492  42.934-102.141
  345   1H2     G  32          1H2         G  32  65.293  40.907-104.328
  346   2H2     G  32          2H2         G  32  64.213  40.999-102.955
  347   1H5*    U  33          1H5*        U  33  67.893  44.087-113.343
  348   2H5*    U  33          2H5*        U  33  66.769  42.721-113.071
  349    H4*    U  33           H4*        U  33  66.636  43.387-115.392
  350    H3*    U  33           H3*        U  33  67.162  45.963-114.455
  351   1H2*    U  33          1H2*        U  33  65.084  46.640-113.866
  352   2HO*    U  33          2HO*        U  33  65.484  47.780-115.849
  353    H1*    U  33           H1*        U  33  63.590  44.965-115.826
  354    H3     U  33           H3         U  33  60.748  47.454-113.015
  355    H5     U  33           H5         U  33  61.700  43.826-111.089
  356    H6     U  33           H6         U  33  63.408  43.457-112.772
  357   1H5*    C  34          1H5*        C  34  69.414  43.948-117.072
  358   2H5*    C  34          2H5*        C  34  70.170  45.243-118.049
  359    H4*    C  34           H4*        C  34  71.962  43.988-117.076
  360    H3*    C  34           H3*        C  34  70.236  44.074-114.629
  361   1H2*    C  34          1H2*        C  34  71.956  44.420-113.182
  362   2HO*    C  34          2HO*        C  34  73.746  43.567-115.236
  363    H1*    C  34           H1*        C  34  73.611  45.987-114.715
  364   1H4     C  34          1H4         C  34  68.893  48.743-110.926
  365   2H4     C  34          2H4         C  34  70.431  49.290-110.293
  366    H5     C  34           H5         C  34  68.703  47.363-112.932
  367    H6     C  34           H6         C  34  69.929  46.102-114.592
  368   1H5*    A  35          1H5*        A  35  73.777  40.164-114.112
  369   2H5*    A  35          2H5*        A  35  73.170  41.680-114.833
  370    H4*    A  35           H4*        A  35  74.918  42.477-113.603
  371    H3*    A  35           H3*        A  35  74.847  40.019-112.239
  372   1H2*    A  35          1H2*        A  35  73.702  40.608-110.382
  373   2HO*    A  35          2HO*        A  35  76.077  42.134-109.918
  374    H1*    A  35           H1*        A  35  74.380  43.500-110.452
  375    H8     A  35           H8         A  35  71.074  42.786-111.622
  376   1H6     A  35          1H6         A  35  68.537  43.252-107.551
  377   2H6     A  35          2H6         A  35  68.969  43.178-105.863
  378    H2     A  35           H2         A  35  73.409  42.502-105.673
  379   1H5*    U  36          1H5*        U  36  79.993  42.299-111.413
  380   2H5*    U  36          2H5*        U  36  78.423  42.747-112.055
  381    H4*    U  36           H4*        U  36  79.007  44.541-110.687
  382    H3*    U  36           H3*        U  36  80.044  42.445-108.795
  383   1H2*    U  36          1H2*        U  36  79.629  43.814-106.991
  384   2HO*    U  36          2HO*        U  36  79.833  45.878-108.903
  385    H1*    U  36           H1*        U  36  77.394  45.133-108.021
  386    H3     U  36           H3         U  36  76.299  43.331-104.004
  387    H5     U  36           H5         U  36  75.774  40.287-106.865
  388    H6     U  36           H6         U  36  76.947  41.655-108.463
  389   1H5*    C  37          1H5*        C  37  83.919  45.874-107.890
  390   2H5*    C  37          2H5*        C  37  82.338  45.735-108.646
  391    H4*    C  37           H4*        C  37  82.060  46.930-106.599
  392    H3*    C  37           H3*        C  37  83.634  44.660-105.377
  393   1H2*    C  37          1H2*        C  37  82.461  44.931-103.401
  394   2HO*    C  37          2HO*        C  37  82.002  47.559-104.364
  395    H1*    C  37           H1*        C  37  80.073  45.862-104.544
  396   1H4     C  37          1H4         C  37  78.786  40.399-101.690
  397   2H4     C  37          2H4         C  37  79.047  39.565-103.205
  398    H5     C  37           H5         C  37  80.049  40.617-105.135
  399    H6     C  37           H6         C  37  80.829  42.737-106.076
  400   1H5*    G  38          1H5*        G  38  86.477  48.062-102.203
  401   2H5*    G  38          2H5*        G  38  85.016  48.459-103.096
  402    H4*    G  38           H4*        G  38  84.396  48.864-100.881
  403    H3*    G  38           H3*        G  38  86.181  46.531-100.285
  404   1H2*    G  38          1H2*        G  38  84.909  45.790 -98.523
  405   2HO*    G  38          2HO*        G  38  83.890  48.443 -98.491
  406    H1*    G  38           H1*        G  38  82.407  46.482 -99.448
  407    H8     G  38           H8         G  38  84.431  44.695-102.096
  408    H1     G  38           H1         G  38  81.442  40.770 -98.066
  409   1H2     G  38          1H2         G  38  81.141  43.577 -96.031
  410   2H2     G  38          2H2         G  38  80.835  41.867 -96.242
  411   1H5*    G  39          1H5*        G  39  87.428  48.080 -95.645
  412   2H5*    G  39          2H5*        G  39  86.122  48.425 -96.772
  413    H4*    G  39           H4*        G  39  85.200  47.033 -95.084
  414    H3*    G  39           H3*        G  39  87.690  45.382 -95.483
  415   1H2*    G  39          1H2*        G  39  86.542  43.450 -94.971
  416   2HO*    G  39          2HO*        G  39  84.450  43.562 -93.919
  417    H1*    G  39           H1*        G  39  84.056  44.216 -95.966
  418    H8     G  39           H8         G  39  86.638  44.531 -98.652
  419    H1     G  39           H1         G  39  84.725  38.523 -97.701
  420   1H2     G  39          1H2         G  39  83.723  38.345 -95.731
  421   2H2     G  39          2H2         G  39  83.517  39.714 -94.660
  422   1H5*    A  40          1H5*        A  40  88.768  45.020 -90.088
  423   2H5*    A  40          2H5*        A  40  87.232  45.560 -90.757
  424    H4*    A  40           H4*        A  40  86.649  43.691 -89.452
  425    H3*    A  40           H3*        A  40  89.261  42.605 -90.431
  426   1H2*    A  40          1H2*        A  40  88.516  40.459 -90.611
  427   2HO*    A  40          2HO*        A  40  86.636  41.271 -88.678
  428    H1*    A  40           H1*        A  40  85.898  40.894 -91.281
  429    H8     A  40           H8         A  40  88.209  42.935 -93.433
  430   1H6     A  40          1H6         A  40  88.212  38.113 -97.265
  431   2H6     A  40          2H6         A  40  88.499  39.833 -97.123
  432    H2     A  40           H2         A  40  86.652  36.724 -93.280
  433   1H5*    A  41          1H5*        A  41  88.450  39.488 -86.199
  434   2H5*    A  41          2H5*        A  41  87.374  40.419 -87.282
  435    H4*    A  41           H4*        A  41  86.625  38.135 -87.298
  436    H3*    A  41           H3*        A  41  89.545  37.542 -87.580
  437   1H2*    A  41          1H2*        A  41  89.232  35.823 -89.079
  438   2HO*    A  41          2HO*        A  41  86.491  35.768 -88.291
  439    H1*    A  41           H1*        A  41  87.047  36.776 -90.431
  440    H8     A  41           H8         A  41  89.948  39.172 -89.761
  441   1H6     A  41          1H6         A  41  92.517  38.373 -93.770
  442   2H6     A  41          2H6         A  41  92.390  37.190 -95.053
  443    H2     A  41           H2         A  41  88.829  34.627 -94.111
  444   1H5*    C  42          1H5*        C  42  89.324  33.113 -85.279
  445   2H5*    C  42          2H5*        C  42  88.398  33.547 -86.746
  446    H4*    C  42           H4*        C  42  89.719  31.429 -86.961
  447    H3*    C  42           H3*        C  42  91.929  33.346 -86.348
  448   1H2*    C  42          1H2*        C  42  93.298  32.555 -87.975
  449   2HO*    C  42          2HO*        C  42  93.116  30.437 -88.807
  450    H1*    C  42           H1*        C  42  91.441  31.600 -89.765
  451   1H4     C  42          1H4         C  42  94.262  36.519 -92.596
  452   2H4     C  42          2H4         C  42  93.789  37.602 -91.306
  453    H5     C  42           H5         C  42  92.553  36.888 -89.372
  454    H6     C  42           H6         C  42  91.499  34.981 -88.249
  455   1H5*    C  43          1H5*        C  43  94.437  28.899 -85.406
  456   2H5*    C  43          2H5*        C  43  93.179  29.489 -86.532
  457    H4*    C  43           H4*        C  43  95.079  28.431 -87.719
  458    H3*    C  43           H3*        C  43  96.591  30.456 -86.120
  459   1H2*    C  43          1H2*        C  43  97.970  31.065 -87.836
  460   2HO*    C  43          2HO*        C  43  97.188  28.681 -89.196
  461    H1*    C  43           H1*        C  43  96.216  30.782 -89.962
  462   1H4     C  43          1H4         C  43  96.822  36.985 -88.633
  463   2H4     C  43          2H4         C  43  95.835  36.803 -87.200
  464    H5     C  43           H5         C  43  94.995  34.680 -86.435
  465    H6     C  43           H6         C  43  94.871  32.262 -86.920
  466   1H5*    A  44          1H5*        A  44  99.276  30.814 -83.985
  467   2H5*    A  44          2H5*        A  44 100.573  29.583 -83.904
  468    H4*    A  44           H4*        A  44 101.762  30.722 -85.732
  469    H3*    A  44           H3*        A  44 101.192  31.899 -83.121
  470   1H2*    A  44          1H2*        A  44 100.873  34.008 -83.732
  471   2HO*    A  44          2HO*        A  44 103.312  33.744 -85.191
  472    H1*    A  44           H1*        A  44 101.559  33.753 -86.592
  473    H8     A  44           H8         A  44  97.989  33.270 -85.734
  474   1H6     A  44          1H6         A  44  96.390  37.825 -85.988
  475   2H6     A  44          2H6         A  44  97.200  39.369 -86.116
  476    H2     A  44           H2         A  44 101.615  38.523 -86.181
  477    H3T    A  44           H3T        A  44 103.126  30.792 -83.768
   
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  59.969  39.754-113.441
    2   2H5*    G   1          2H5*        G   1  60.503  41.415-113.060
    3    H4*    G   1           H4*        G   1  60.846  39.363-111.379
    4    H3*    G   1           H3*        G   1  57.985  40.073-111.150
    5   1H2*    G   1          1H2*        G   1  58.089  41.025-109.116
    6   2HO*    G   1          2HO*        G   1  59.845  38.931-108.289
    7    H1*    G   1           H1*        G   1  60.977  40.633-108.644
    8    H8     G   1           H8         G   1  60.079  43.736-110.347
    9    H1     G   1           H1         G   1  59.542  44.303-104.035
   10   1H2     G   1          1H2         G   1  59.697  40.843-104.046
   11   2H2     G   1          2H2         G   1  59.534  42.313-103.113
   12    H5T    G   1           H5T        G   1  58.379  41.833-112.326
   13   1H5*    G   2          1H5*        G   2  58.699  35.240-108.427
   14   2H5*    G   2          2H5*        G   2  60.402  35.419-108.025
   15    H4*    G   2           H4*        G   2  59.458  34.719-106.005
   16    H3*    G   2           H3*        G   2  57.118  36.374-106.880
   17   1H2*    G   2          1H2*        G   2  56.581  37.043-104.763
   18   2HO*    G   2          2HO*        G   2  57.451  35.902-102.896
   19    H1*    G   2           H1*        G   2  59.103  37.096-103.626
   20    H8     G   2           H8         G   2  59.089  39.020-106.825
   21    H1     G   2           H1         G   2  56.603  42.338-102.014
   22   1H2     G   2          1H2         G   2  56.433  39.330-100.323
   23   2H2     G   2          2H2         G   2  56.141  41.062-100.311
   24   1H5*    G   3          1H5*        G   3  53.573  33.230-104.581
   25   2H5*    G   3          2H5*        G   3  55.300  33.453-104.322
   26    H4*    G   3           H4*        G   3  54.271  34.373-102.395
   27    H3*    G   3           H3*        G   3  52.281  35.376-104.384
   28   1H2*    G   3          1H2*        G   3  51.970  37.393-103.354
   29   2HO*    G   3          2HO*        G   3  52.900  36.070-101.016
   30    H1*    G   3           H1*        G   3  54.456  37.693-102.159
   31    H8     G   3           H8         G   3  54.688  37.113-105.873
   32    H1     G   3           H1         G   3  53.650  43.191-104.265
   33   1H2     G   3          1H2         G   3  52.727  41.891-101.170
   34   2H2     G   3          2H2         G   3  52.926  43.310-102.173
   35   1H5*    A   4          1H5*        A   4  48.492  34.650-100.299
   36   2H5*    A   4          2H5*        A   4  50.236  34.599-100.092
   37    H4*    A   4           H4*        A   4  49.529  36.146 -98.469
   38    H3*    A   4           H3*        A   4  47.539  36.945-100.559
   39   1H2*    A   4          1H2*        A   4  47.561  39.176 -99.988
   40   2HO*    A   4          2HO*        A   4  48.692  38.266 -97.540
   41    H1*    A   4           H1*        A   4  50.207  39.464 -99.390
   42    H8     A   4           H8         A   4  49.805  37.361-102.466
   43   1H6     A   4          1H6         A   4  49.973  42.624-105.647
   44   2H6     A   4          2H6         A   4  50.146  40.886-105.742
   45    H2     A   4           H2         A   4  49.279  43.624-101.319
   46   1H5*    G   5          1H5*        G   5  43.793  38.479 -97.529
   47   2H5*    G   5          2H5*        G   5  45.529  38.358 -97.280
   48    H4*    G   5           H4*        G   5  45.122  40.668 -97.471
   49    H3*    G   5           H3*        G   5  43.187  39.829 -99.600
   50   1H2*    G   5          1H2*        G   5  43.566  41.705-100.880
   51   2HO*    G   5          2HO*        G   5  44.574  43.595 -99.934
   52    H1*    G   5           H1*        G   5  46.234  42.175-100.156
   53    H8     G   5           H8         G   5  45.859  38.680-101.406
   54    H1     G   5           H1         G   5  46.462  42.938-106.107
   55   1H2     G   5          1H2         G   5  46.032  44.981-105.368
   56   2H2     G   5          2H2         G   5  45.604  45.299-103.699
   57   1H5*    C   6          1H5*        C   6  39.336  42.493 -97.898
   58   2H5*    C   6          2H5*        C   6  40.582  43.287 -98.906
   59    H4*    C   6           H4*        C   6  38.310  43.765 -99.735
   60    H3*    C   6           H3*        C   6  38.132  40.777 -99.655
   61   1H2*    C   6          1H2*        C   6  37.063  40.606-101.673
   62   2HO*    C   6          2HO*        C   6  35.949  42.373-102.609
   63    H1*    C   6           H1*        C   6  38.192  42.776-102.986
   64   1H4     C   6          1H4         C   6  40.830  37.532-105.430
   65   2H4     C   6          2H4         C   6  41.717  37.243-103.951
   66    H5     C   6           H5         C   6  41.488  38.611-101.987
   67    H6     C   6           H6         C   6  40.355  40.552-101.006
   68   1H5*    U   7          1H5*        U   7  33.176  40.490 -99.383
   69   2H5*    U   7          2H5*        U   7  34.339  41.507-100.286
   70    H4*    U   7           H4*        U   7  33.179  40.152-101.887
   71    H3*    U   7           H3*        U   7  33.670  37.980 -99.889
   72   1H2*    U   7          1H2*        U   7  34.148  36.385-101.474
   73   2HO*    U   7          2HO*        U   7  33.390  36.568-103.621
   74    H1*    U   7           H1*        U   7  35.136  38.067-103.504
   75    H3     U   7           H3         U   7  38.620  35.294-103.102
   76    H5     U   7           H5         U   7  38.387  37.052 -99.281
   77    H6     U   7           H6         U   7  36.377  38.196 -99.995
   78   1H5*    C   8          1H5*        C   8  32.341  35.035 -99.701
   79   2H5*    C   8          2H5*        C   8  30.707  34.508 -99.195
   80    H4*    C   8           H4*        C   8  31.711  32.817-100.628
   81    H3*    C   8           H3*        C   8  32.499  35.174-102.181
   82   1H2*    C   8          1H2*        C   8  31.421  34.765-104.071
   83   2HO*    C   8          2HO*        C   8  32.121  32.021-103.742
   84    H1*    C   8           H1*        C   8  29.888  32.429-103.386
   85   1H4     C   8          1H4         C   8  25.747  36.328-106.125
   86   2H4     C   8          2H4         C   8  26.412  37.705-105.274
   87    H5     C   8           H5         C   8  28.264  37.522-103.737
   88    H6     C   8           H6         C   8  29.883  36.039-102.709
   89   1H5*    A   9          1H5*        A   9  35.260  31.684-104.689
   90   2H5*    A   9          2H5*        A   9  33.478  31.595-104.794
   91    H4*    A   9           H4*        A   9  34.598  31.074-106.947
   92    H3*    A   9           H3*        A   9  35.748  33.805-106.485
   93   1H2*    A   9          1H2*        A   9  35.523  34.416-108.688
   94   2HO*    A   9          2HO*        A   9  35.255  32.865-110.355
   95    H1*    A   9           H1*        A   9  33.209  33.024-109.302
   96    H8     A   9           H8         A   9  32.013  34.771-106.444
   97   1H6     A   9          1H6         A   9  32.594  40.203-109.279
   98   2H6     A   9          2H6         A   9  31.878  39.363-107.922
   99    H2     A   9           H2         A   9  34.916  37.149-111.623
  100   1H5*    A  10          1H5*        A  10  40.282  32.557-108.948
  101   2H5*    A  10          2H5*        A  10  38.611  31.951-109.145
  102    H4*    A  10           H4*        A  10  39.033  33.003-111.185
  103    H3*    A  10           H3*        A  10  40.599  34.968-109.553
  104   1H2*    A  10          1H2*        A  10  40.054  36.735-110.916
  105   2HO*    A  10          2HO*        A  10  39.292  36.424-113.057
  106    H1*    A  10           H1*        A  10  37.512  35.964-111.680
  107    H8     A  10           H8         A  10  37.674  35.780-107.959
  108   1H6     A  10          1H6         A  10  37.348  41.925-107.808
  109   2H6     A  10          2H6         A  10  37.213  40.457-106.865
  110    H2     A  10           H2         A  10  38.222  40.665-112.035
  111   1H5*    C  11          1H5*        C  11  43.941  35.945-113.389
  112   2H5*    C  11          2H5*        C  11  42.217  35.470-113.449
  113    H4*    C  11           H4*        C  11  42.445  37.669-114.430
  114    H3*    C  11           H3*        C  11  44.091  38.181-111.980
  115   1H2*    C  11          1H2*        C  11  43.249  40.282-111.641
  116   2HO*    C  11          2HO*        C  11  43.649  41.014-113.774
  117    H1*    C  11           H1*        C  11  40.695  39.940-112.608
  118   1H4     C  11          1H4         C  11  41.075  38.686-106.112
  119   2H4     C  11          2H4         C  11  40.218  40.202-106.289
  120    H5     C  11           H5         C  11  41.991  37.465-107.974
  121    H6     C  11           H6         C  11  42.309  37.444-110.404
  122   1H5*    U  12          1H5*        U  12  46.260  42.223-114.802
  123   2H5*    U  12          2H5*        U  12  44.596  41.631-115.082
  124    H4*    U  12           H4*        U  12  44.579  44.049-114.770
  125    H3*    U  12           H3*        U  12  46.197  43.343-112.355
  126   1H2*    U  12          1H2*        U  12  45.156  44.871-110.999
  127   2HO*    U  12          2HO*        U  12  44.015  46.667-111.859
  128    H1*    U  12           H1*        U  12  42.619  44.865-112.190
  129    H3     U  12           H3         U  12  41.240  43.334-108.231
  130    H5     U  12           H5         U  12  44.503  40.809-109.098
  131    H6     U  12           H6         U  12  44.831  42.053-111.158
  132   1H5*    C  13          1H5*        C  13  48.701  48.010-112.753
  133   2H5*    C  13          2H5*        C  13  47.121  47.394-113.226
  134    H4*    C  13           H4*        C  13  46.805  49.110-111.559
  135    H3*    C  13           H3*        C  13  48.977  47.596-110.156
  136   1H2*    C  13          1H2*        C  13  48.022  47.897-108.054
  137   2HO*    C  13          2HO*        C  13  46.536  49.932-109.343
  138    H1*    C  13           H1*        C  13  45.473  47.468-108.669
  139   1H4     C  13          1H4         C  13  47.216  41.579-107.215
  140   2H4     C  13          2H4         C  13  47.749  41.339-108.864
  141    H5     C  13           H5         C  13  47.980  43.136-110.450
  142    H6     C  13           H6         C  13  47.601  45.523-110.844
  143   1H5*    U  14          1H5*        U  14  51.065  51.476-107.553
  144   2H5*    U  14          2H5*        U  14  49.393  51.350-108.086
  145    H4*    U  14           H4*        U  14  49.238  51.247-105.757
  146    H3*    U  14           H3*        U  14  51.756  49.613-105.927
  147   1H2*    U  14          1H2*        U  14  51.168  48.364-104.064
  148   2HO*    U  14          2HO*        U  14  49.373  49.068-102.710
  149    H1*    U  14           H1*        U  14  48.448  48.255-104.479
  150    H3     U  14           H3         U  14  49.925  43.983-104.570
  151    H5     U  14           H5         U  14  50.670  45.480-108.435
  152    H6     U  14           H6         U  14  50.211  47.701-107.594
  153   1H5*    C  15          1H5*        C  15  52.982  51.793-101.281
  154   2H5*    C  15          2H5*        C  15  51.627  51.607-102.389
  155    H4*    C  15           H4*        C  15  51.300  50.120-100.524
  156    H3*    C  15           H3*        C  15  54.147  49.351-101.110
  157   1H2*    C  15          1H2*        C  15  53.752  47.144-100.562
  158   2HO*    C  15          2HO*        C  15  51.484  48.151 -99.184
  159    H1*    C  15           H1*        C  15  51.173  46.943-101.452
  160   1H4     C  15          1H4         C  15  54.425  43.800-105.840
  161   2H4     C  15          2H4         C  15  54.681  45.296-106.710
  162    H5     C  15           H5         C  15  54.247  47.470-105.747
  163    H6     C  15           H6         C  15  53.214  48.660-103.881
  164   1H5*    C  16          1H5*        C  16  55.106  48.526 -96.032
  165   2H5*    C  16          2H5*        C  16  53.658  48.523 -97.027
  166    H4*    C  16           H4*        C  16  54.062  46.294 -96.180
  167    H3*    C  16           H3*        C  16  56.783  46.647 -97.453
  168   1H2*    C  16          1H2*        C  16  56.852  44.313 -97.786
  169   2HO*    C  16          2HO*        C  16  54.427  44.143 -96.289
  170    H1*    C  16           H1*        C  16  54.280  44.089 -98.634
  171   1H4     C  16          1H4         C  16  57.479  46.189-103.965
  172   2H4     C  16          2H4         C  16  57.603  44.444-104.006
  173    H5     C  16           H5         C  16  56.570  47.401-102.104
  174    H6     C  16           H6         C  16  55.597  47.210 -99.856
  175   1H5*    C  17          1H5*        C  17  59.290  43.310 -94.847
  176   2H5*    C  17          2H5*        C  17  57.573  43.676 -94.953
  177    H4*    C  17           H4*        C  17  57.745  41.859 -96.372
  178    H3*    C  17           H3*        C  17  60.459  42.960 -97.046
  179   1H2*    C  17          1H2*        C  17  60.389  42.007 -99.157
  180   2HO*    C  17          2HO*        C  17  58.891  40.290 -99.617
  181    H1*    C  17           H1*        C  17  57.598  42.088 -99.493
  182   1H4     C  17          1H4         C  17  59.551  47.330-102.820
  183   2H4     C  17          2H4         C  17  59.669  46.002-103.959
  184    H5     C  17           H5         C  17  59.243  47.014-100.432
  185    H6     C  17           H6         C  17  58.780  45.370 -98.670
  186   1H5*    C  18          1H5*        C  18  62.266  38.012 -96.984
  187   2H5*    C  18          2H5*        C  18  60.734  38.871 -97.095
  188    H4*    C  18           H4*        C  18  61.197  37.933 -99.246
  189    H3*    C  18           H3*        C  18  63.927  39.129 -98.822
  190   1H2*    C  18          1H2*        C  18  64.152  39.577-101.085
  191   2HO*    C  18          2HO*        C  18  62.698  38.615-102.632
  192    H1*    C  18           H1*        C  18  61.507  40.182-101.631
  193   1H4     C  18          1H4         C  18  64.300  45.847-101.610
  194   2H4     C  18          2H4         C  18  63.945  45.989 -99.903
  195    H5     C  18           H5         C  18  63.183  44.148 -98.560
  196    H6     C  18           H6         C  18  62.458  41.805 -98.583
  197   1H5*    C  19          1H5*        C  19  65.542  34.554-101.288
  198   2H5*    C  19          2H5*        C  19  64.100  35.480-100.878
  199    H4*    C  19           H4*        C  19  64.706  35.861-103.206
  200    H3*    C  19           H3*        C  19  67.375  36.499-101.978
  201   1H2*    C  19          1H2*        C  19  67.767  38.223-103.463
  202   2HO*    C  19          2HO*        C  19  66.254  38.458-105.324
  203    H1*    C  19           H1*        C  19  65.195  39.128-103.711
  204   1H4     C  19          1H4         C  19  67.786  43.499 -99.994
  205   2H4     C  19          2H4         C  19  67.373  42.540 -98.587
  206    H5     C  19           H5         C  19  66.596  40.254 -98.722
  207    H6     C  19           H6         C  19  65.906  38.455-100.239
  208   1H5*    C  20          1H5*        C  20  70.477  34.536-105.610
  209   2H5*    C  20          2H5*        C  20  68.855  35.192-105.785
  210    H4*    C  20           H4*        C  20  70.322  36.688-106.919
  211    H3*    C  20           H3*        C  20  72.004  36.323-104.476
  212   1H2*    C  20          1H2*        C  20  72.753  38.467-104.475
  213   2HO*    C  20          2HO*        C  20  71.972  38.563-107.219
  214    H1*    C  20           H1*        C  20  70.547  39.695-105.616
  215   1H4     C  20          1H4         C  20  70.399  41.743 -99.683
  216   2H4     C  20          2H4         C  20  69.503  40.311 -99.224
  217    H5     C  20           H5         C  20  69.260  38.397-100.682
  218    H6     C  20           H6         C  20  69.603  37.550-102.960
  219   1H5*    C  21          1H5*        C  21  76.170  36.363-106.933
  220   2H5*    C  21          2H5*        C  21  74.869  37.523-106.536
  221    H4*    C  21           H4*        C  21  77.059  38.415-105.917
  222    H3*    C  21           H3*        C  21  77.267  35.797-104.479
  223   1H2*    C  21          1H2*        C  21  78.271  36.734-102.634
  224   2HO*    C  21          2HO*        C  21  79.918  37.747-103.887
  225    H1*    C  21           H1*        C  21  77.163  39.327-102.841
  226   1H4     C  21          1H4         C  21  75.228  36.253 -97.549
  227   2H4     C  21          2H4         C  21  73.623  36.319 -98.242
  228    H5     C  21           H5         C  21  73.195  37.029-100.493
  229    H6     C  21           H6         C  21  74.181  37.872-102.575
  230   1H5*    U  22          1H5*        U  22  81.983  37.167-106.867
  231   2H5*    U  22          2H5*        U  22  82.264  38.933-106.795
  232    H4*    U  22           H4*        U  22  83.336  38.694-104.608
  233    H3*    U  22           H3*        U  22  84.378  37.768-107.058
  234   1H2*    U  22          1H2*        U  22  84.438  35.535-106.666
  235   2HO*    U  22          2HO*        U  22  86.334  34.915-105.533
  236    H1*    U  22           H1*        U  22  84.661  35.715-103.703
  237    H3     U  22           H3         U  22  84.217  31.240-104.017
  238    H5     U  22           H5         U  22  80.777  32.721-105.950
  239    H6     U  22           H6         U  22  81.682  34.956-105.700
  240   1H5*    U  23          1H5*        U  23  86.942  35.895-107.524
  241   2H5*    U  23          2H5*        U  23  88.033  37.084-108.296
  242    H4*    U  23           H4*        U  23  89.190  34.974-108.206
  243    H3*    U  23           H3*        U  23  88.118  34.919-105.414
  244   1H2*    U  23          1H2*        U  23  89.997  33.935-104.525
  245   2HO*    U  23          2HO*        U  23  90.824  33.342-107.188
  246    H1*    U  23           H1*        U  23  91.891  35.205-106.000
  247    H3     U  23           H3         U  23  91.844  36.205-101.456
  248    H5     U  23           H5         U  23  89.685  39.222-103.459
  249    H6     U  23           H6         U  23  89.743  37.838-105.456
  250   1H5*    U  24          1H5*        U  24  87.661  30.549-104.382
  251   2H5*    U  24          2H5*        U  24  89.028  31.632-104.768
  252    H4*    U  24           H4*        U  24  88.978  30.596-102.429
  253    H3*    U  24           H3*        U  24  86.644  32.491-102.276
  254   1H2*    U  24          1H2*        U  24  87.205  33.084-100.136
  255   2HO*    U  24          2HO*        U  24  88.830  30.749 -99.998
  256    H1*    U  24           H1*        U  24  89.975  32.760-100.365
  257    H3     U  24           H3         U  24  89.089  36.886 -98.699
  258    H5     U  24           H5         U  24  87.999  37.157-102.754
  259    H6     U  24           H6         U  24  88.476  34.790-102.984
  260   1H5*    U  25          1H5*        U  25  83.903  29.027 -99.088
  261   2H5*    U  25          2H5*        U  25  85.614  28.997 -99.481
  262    H4*    U  25           H4*        U  25  85.487  29.095 -97.126
  263    H3*    U  25           H3*        U  25  83.521  31.338 -97.529
  264   1H2*    U  25          1H2*        U  25  84.099  32.138 -95.413
  265   2HO*    U  25          2HO*        U  25  85.485  29.670 -95.079
  266    H1*    U  25           H1*        U  25  86.756  31.699 -95.705
  267    H3     U  25           H3         U  25  85.954  36.139 -95.311
  268    H5     U  25           H5         U  25  85.475  35.286 -99.404
  269    H6     U  25           H6         U  25  85.593  32.919 -98.858
  270   1H5*    C  26          1H5*        C  26  79.894  30.059 -93.283
  271   2H5*    C  26          2H5*        C  26  81.406  29.604 -92.566
  272    H4*    C  26           H4*        C  26  81.510  31.783 -92.120
  273    H3*    C  26           H3*        C  26  79.855  32.356 -94.574
  274   1H2*    C  26          1H2*        C  26  80.368  34.623 -94.117
  275   2HO*    C  26          2HO*        C  26  81.555  33.883 -91.649
  276    H1*    C  26           H1*        C  26  82.918  34.075 -93.123
  277   1H4     C  26          1H4         C  26  83.845  37.255 -98.527
  278   2H4     C  26          2H4         C  26  83.468  35.824 -99.467
  279    H5     C  26           H5         C  26  82.575  33.792 -98.487
  280    H6     C  26           H6         C  26  82.040  32.652 -96.381
  281   1H5*    C  27          1H5*        C  27  76.486  35.504 -92.723
  282   2H5*    C  27          2H5*        C  27  76.311  35.452 -90.955
  283    H4*    C  27           H4*        C  27  77.868  37.157 -90.641
  284    H3*    C  27           H3*        C  27  76.313  37.571 -93.181
  285   1H2*    C  27          1H2*        C  27  77.525  39.411 -93.791
  286   2HO*    C  27          2HO*        C  27  77.807  39.693 -91.033
  287    H1*    C  27           H1*        C  27  79.967  38.703 -92.596
  288   1H4     C  27          1H4         C  27  81.168  38.334 -98.758
  289   2H4     C  27          2H4         C  27  80.761  36.632 -98.706
  290    H5     C  27           H5         C  27  79.612  35.607 -96.842
  291    H6     C  27           H6         C  27  78.862  35.935 -94.531
  292   1H5*    G  28          1H5*        G  28  73.825  42.004 -91.560
  293   2H5*    G  28          2H5*        G  28  75.290  41.329 -90.859
  294    H4*    G  28           H4*        G  28  75.985  43.405 -91.679
  295    H3*    G  28           H3*        G  28  74.076  42.824 -93.918
  296   1H2*    G  28          1H2*        G  28  75.370  43.889 -95.497
  297   2HO*    G  28          2HO*        G  28  76.612  45.183 -93.281
  298    H1*    G  28           H1*        G  28  77.876  43.333 -94.478
  299    H8     G  28           H8         G  28  75.766  40.214 -94.688
  300    H1     G  28           H1         G  28  78.606  41.748-100.181
  301   1H2     G  28          1H2         G  28  79.108  44.862 -98.703
  302   2H2     G  28          2H2         G  28  79.320  43.846-100.111
  303   1H5*    A  29          1H5*        A  29  73.504  48.198 -93.980
  304   2H5*    A  29          2H5*        A  29  74.655  47.045 -93.316
  305    H4*    A  29           H4*        A  29  75.872  48.381 -94.853
  306    H3*    A  29           H3*        A  29  73.471  47.979 -96.621
  307   1H2*    A  29          1H2*        A  29  74.784  48.038 -98.534
  308   2HO*    A  29          2HO*        A  29  76.709  49.287 -96.851
  309    H1*    A  29           H1*        A  29  77.029  46.788 -97.492
  310    H8     A  29           H8         A  29  73.946  44.794 -96.676
  311   1H6     A  29          1H6         A  29  74.799  41.984-102.096
  312   2H6     A  29          2H6         A  29  74.015  41.880-100.535
  313    H2     A  29           H2         A  29  77.299  45.720-102.046
  314   1H5*    G  30          1H5*        G  30  73.369  51.995 -99.346
  315   2H5*    G  30          2H5*        G  30  74.710  51.182 -98.549
  316    H4*    G  30           H4*        G  30  74.868  50.740-100.904
  317    H3*    G  30           H3*        G  30  71.953  50.040-100.611
  318   1H2*    G  30          1H2*        G  30  72.129  48.422-102.288
  319   2HO*    G  30          2HO*        G  30  74.705  49.531-102.835
  320    H1*    G  30           H1*        G  30  74.538  47.392-101.543
  321    H8     G  30           H8         G  30  72.380  48.084 -98.482
  322    H1     G  30           H1         G  30  71.160  42.549-101.382
  323   1H2     G  30          1H2         G  30  72.969  43.914-104.027
  324   2H2     G  30          2H2         G  30  72.058  42.554-103.411
  325   1H5*    G  31          1H5*        G  31  70.105  52.230-105.077
  326   2H5*    G  31          2H5*        G  31  71.783  51.744-104.858
  327    H4*    G  31           H4*        G  31  71.028  50.330-106.570
  328    H3*    G  31           H3*        G  31  68.465  50.378-105.018
  329   1H2*    G  31          1H2*        G  31  67.914  48.192-105.544
  330   2HO*    G  31          2HO*        G  31  69.248  47.073-107.217
  331    H1*    G  31           H1*        G  31  70.431  47.090-105.518
  332    H8     G  31           H8         G  31  69.917  49.335-102.518
  333    H1     G  31           H1         G  31  67.646  43.438-101.729
  334   1H2     G  31          1H2         G  31  67.823  43.228-105.183
  335   2H2     G  31          2H2         G  31  67.411  42.447-103.674
  336   1H5*    G  32          1H5*        G  32  66.032  50.256-110.097
  337   2H5*    G  32          2H5*        G  32  67.732  50.046-109.691
  338    H4*    G  32           H4*        G  32  67.229  48.097-110.892
  339    H3*    G  32           H3*        G  32  64.547  48.385-109.610
  340   1H2*    G  32          1H2*        G  32  64.192  46.163-109.244
  341   2HO*    G  32          2HO*        G  32  66.146  45.806-111.269
  342    H1*    G  32           H1*        G  32  66.697  45.355-108.570
  343    H8     G  32           H8         G  32  65.989  48.774-107.183
  344    H1     G  32           H1         G  32  64.015  44.106-103.339
  345   1H2     G  32          1H2         G  32  64.305  42.047-106.115
  346   2H2     G  32          2H2         G  32  63.877  42.197-104.420
  347   1H5*    U  33          1H5*        U  33  63.352  44.615-112.042
  348   2H5*    U  33          2H5*        U  33  61.928  45.193-112.960
  349    H4*    U  33           H4*        U  33  62.758  43.176-114.005
  350    H3*    U  33           H3*        U  33  65.286  44.047-113.180
  351   1H2*    U  33          1H2*        U  33  65.831  45.442-114.885
  352   2HO*    U  33          2HO*        U  33  66.017  42.947-116.268
  353    H1*    U  33           H1*        U  33  64.222  44.071-116.986
  354    H3     U  33           H3         U  33  64.922  47.606-119.624
  355    H5     U  33           H5         U  33  64.223  49.389-115.869
  356    H6     U  33           H6         U  33  64.025  47.164-114.923
  357   1H5*    C  34          1H5*        C  34  67.611  39.868-114.811
  358   2H5*    C  34          2H5*        C  34  67.348  41.311-115.838
  359    H4*    C  34           H4*        C  34  69.675  40.530-116.019
  360    H3*    C  34           H3*        C  34  69.459  40.649-113.050
  361   1H2*    C  34          1H2*        C  34  71.537  41.596-112.721
  362   2HO*    C  34          2HO*        C  34  73.153  41.518-114.356
  363    H1*    C  34           H1*        C  34  71.674  43.175-114.992
  364   1H4     C  34          1H4         C  34  68.987  45.953-109.585
  365   2H4     C  34          2H4         C  34  70.276  47.011-110.115
  366    H5     C  34           H5         C  34  68.418  43.892-110.721
  367    H6     C  34           H6         C  34  68.885  42.477-112.638
  368   1H5*    A  35          1H5*        A  35  73.550  38.194-112.644
  369   2H5*    A  35          2H5*        A  35  72.740  39.487-113.565
  370    H4*    A  35           H4*        A  35  74.450  40.624-112.564
  371    H3*    A  35           H3*        A  35  74.541  38.471-110.738
  372   1H2*    A  35          1H2*        A  35  73.468  39.424-108.967
  373   2HO*    A  35          2HO*        A  35  75.715  39.629-108.383
  374    H1*    A  35           H1*        A  35  74.033  42.231-109.784
  375    H8     A  35           H8         A  35  70.723  41.375-110.454
  376   1H6     A  35          1H6         A  35  68.486  42.776-106.434
  377   2H6     A  35          2H6         A  35  69.049  43.019-104.798
  378    H2     A  35           H2         A  35  73.419  42.176-104.749
  379   1H5*    U  36          1H5*        U  36  79.739  40.764-110.509
  380   2H5*    U  36          2H5*        U  36  78.180  41.235-111.162
  381    H4*    U  36           H4*        U  36  78.961  43.155-110.077
  382    H3*    U  36           H3*        U  36  79.893  41.254-107.940
  383   1H2*    U  36          1H2*        U  36  79.616  42.861-106.311
  384   2HO*    U  36          2HO*        U  36  79.403  45.111-106.884
  385    H1*    U  36           H1*        U  36  77.463  44.211-107.461
  386    H3     U  36           H3         U  36  76.281  42.996-103.257
  387    H5     U  36           H5         U  36  75.476  39.682-105.722
  388    H6     U  36           H6         U  36  76.761  40.734-107.474
  389   1H5*    C  37          1H5*        C  37  83.871  44.538-107.297
  390   2H5*    C  37          2H5*        C  37  82.291  44.421-108.061
  391    H4*    C  37           H4*        C  37  82.051  45.809-106.137
  392    H3*    C  37           H3*        C  37  83.509  43.594-104.690
  393   1H2*    C  37          1H2*        C  37  82.354  44.117-102.756
  394   2HO*    C  37          2HO*        C  37  81.229  46.150-102.563
  395    H1*    C  37           H1*        C  37  79.998  44.992-103.995
  396   1H4     C  37          1H4         C  37  78.572  39.772-100.749
  397   2H4     C  37          2H4         C  37  78.834  38.827-102.197
  398    H5     C  37           H5         C  37  79.886  39.713-104.181
  399    H6     C  37           H6         C  37  80.710  41.747-105.268
  400   1H5*    G  38          1H5*        G  38  86.411  47.050-101.714
  401   2H5*    G  38          2H5*        G  38  84.967  47.471-102.624
  402    H4*    G  38           H4*        G  38  84.377  48.012-100.435
  403    H3*    G  38           H3*        G  38  86.001  45.592 -99.707
  404   1H2*    G  38          1H2*        G  38  84.712  45.139 -97.847
  405   2HO*    G  38          2HO*        G  38  83.778  47.819 -98.132
  406    H1*    G  38           H1*        G  38  82.262  45.856 -98.867
  407    H8     G  38           H8         G  38  84.227  43.748-101.323
  408    H1     G  38           H1         G  38  81.111  40.341 -96.934
  409   1H2     G  38          1H2         G  38  80.871  43.353 -95.206
  410   2H2     G  38          2H2         G  38  80.522  41.639 -95.240
  411   1H5*    G  39          1H5*        G  39  88.355  47.078 -95.612
  412   2H5*    G  39          2H5*        G  39  86.816  47.533 -96.325
  413    H4*    G  39           H4*        G  39  86.291  46.169 -94.477
  414    H3*    G  39           H3*        G  39  88.525  44.407 -95.466
  415   1H2*    G  39          1H2*        G  39  87.395  42.489 -94.769
  416   2HO*    G  39          2HO*        G  39  85.874  44.201 -93.073
  417    H1*    G  39           H1*        G  39  84.768  43.500 -94.916
  418    H8     G  39           H8         G  39  86.411  43.545 -98.297
  419    H1     G  39           H1         G  39  83.966  37.868 -96.694
  420   1H2     G  39          1H2         G  39  83.574  37.797 -94.514
  421   2H2     G  39          2H2         G  39  83.917  39.149 -93.456
  422   1H5*    A  40          1H5*        A  40  88.436  44.465 -89.855
  423   2H5*    A  40          2H5*        A  40  86.778  44.978 -89.563
  424    H4*    A  40           H4*        A  40  86.855  43.081 -88.255
  425    H3*    A  40           H3*        A  40  88.887  42.118 -90.248
  426   1H2*    A  40          1H2*        A  40  88.329  39.902 -89.963
  427   2HO*    A  40          2HO*        A  40  87.115  39.162 -88.194
  428    H1*    A  40           H1*        A  40  85.628  40.155 -89.718
  429    H8     A  40           H8         A  40  86.722  42.393 -92.446
  430   1H6     A  40          1H6         A  40  86.308  37.500 -96.155
  431   2H6     A  40          2H6         A  40  86.333  39.245 -96.085
  432    H2     A  40           H2         A  40  86.367  36.038 -91.903
  433   1H5*    A  41          1H5*        A  41  90.145  39.082 -86.396
  434   2H5*    A  41          2H5*        A  41  88.570  39.596 -87.060
  435    H4*    A  41           H4*        A  41  88.639  37.171 -86.791
  436    H3*    A  41           H3*        A  41  91.147  37.437 -88.416
  437   1H2*    A  41          1H2*        A  41  90.712  35.498 -89.581
  438   2HO*    A  41          2HO*        A  41  90.392  34.262 -87.638
  439    H1*    A  41           H1*        A  41  87.913  35.579 -89.464
  440    H8     A  41           H8         A  41  89.719  38.588 -90.952
  441   1H6     A  41          1H6         A  41  90.020  37.099 -95.530
  442   2H6     A  41          2H6         A  41  89.679  35.573 -96.316
  443    H2     A  41           H2         A  41  88.232  32.763 -93.121
  444   1H5*    C  42          1H5*        C  42  93.515  33.520 -86.400
  445   2H5*    C  42          2H5*        C  42  91.884  33.456 -87.130
  446    H4*    C  42           H4*        C  42  93.489  31.794 -88.089
  447    H3*    C  42           H3*        C  42  94.978  34.317 -88.674
  448   1H2*    C  42          1H2*        C  42  95.484  33.724 -90.813
  449   2HO*    C  42          2HO*        C  42  95.039  31.021 -90.084
  450    H1*    C  42           H1*        C  42  93.387  32.022 -91.354
  451   1H4     C  42          1H4         C  42  92.442  36.953 -95.203
  452   2H4     C  42          2H4         C  42  92.422  38.075 -93.861
  453    H5     C  42           H5         C  42  92.775  37.402 -91.577
  454    H6     C  42           H6         C  42  93.183  35.506 -90.076
  455   1H5*    C  43          1H5*        C  43  98.733  30.914 -89.464
  456   2H5*    C  43          2H5*        C  43  96.975  31.059 -89.763
  457    H4*    C  43           H4*        C  43  98.285  30.472 -91.811
  458    H3*    C  43           H3*        C  43  99.664  33.002 -91.027
  459   1H2*    C  43          1H2*        C  43  99.707  33.883 -93.116
  460   2HO*    C  43          2HO*        C  43  99.224  31.263 -94.137
  461    H1*    C  43           H1*        C  43  97.365  32.821 -94.148
  462   1H4     C  43          1H4         C  43  96.365  38.978 -92.858
  463   2H4     C  43          2H4         C  43  96.401  38.655 -91.140
  464    H5     C  43           H5         C  43  96.868  36.481 -90.214
  465    H6     C  43           H6         C  43  97.361  34.123 -90.749
  466   1H5*    A  44          1H5*        A  44 103.835  33.839 -90.117
  467   2H5*    A  44          2H5*        A  44 104.312  32.758 -91.462
  468    H4*    A  44           H4*        A  44 104.926  35.100 -91.927
  469    H3*    A  44           H3*        A  44 102.212  35.568 -90.966
  470   1H2*    A  44          1H2*        A  44 101.222  36.105 -92.871
  471   2HO*    A  44          2HO*        A  44 103.402  37.907 -93.264
  472    H1*    A  44           H1*        A  44 103.591  36.132 -94.626
  473    H8     A  44           H8         A  44 101.482  33.040 -94.086
  474   1H6     A  44          1H6         A  44  98.624  33.378 -97.973
  475   2H6     A  44          2H6         A  44  98.376  34.631 -99.167
  476    H2     A  44           H2         A  44 101.113  38.027 -98.083
  477    H3T    A  44           H3T        A  44 104.147  36.674 -90.313
   
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  61.826  39.679-113.819
    2   2H5*    G   1          2H5*        G   1  62.671  41.060-113.063
    3    H4*    G   1           H4*        G   1  62.478  38.772-111.780
    4    H3*    G   1           H3*        G   1  59.729  39.562-112.045
    5   1H2*    G   1          1H2*        G   1  59.513  40.769-110.180
    6   2HO*    G   1          2HO*        G   1  60.168  38.286-108.900
    7    H1*    G   1           H1*        G   1  61.871  39.617-108.785
    8    H8     G   1           H8         G   1  61.965  43.031-110.196
    9    H1     G   1           H1         G   1  60.067  42.959-104.123
   10   1H2     G   1          1H2         G   1  59.462  39.576-104.689
   11   2H2     G   1          2H2         G   1  59.399  40.920-103.570
   12    H5T    G   1           H5T        G   1  60.623  41.819-112.386
   13   1H5*    G   2          1H5*        G   2  57.557  35.106-109.478
   14   2H5*    G   2          2H5*        G   2  59.306  35.163-109.322
   15    H4*    G   2           H4*        G   2  58.691  34.835-107.117
   16    H3*    G   2           H3*        G   2  56.214  36.337-107.887
   17   1H2*    G   2          1H2*        G   2  55.937  37.275-105.814
   18   2HO*    G   2          2HO*        G   2  57.558  35.125-104.895
   19    H1*    G   2           H1*        G   2  58.591  37.489-105.039
   20    H8     G   2           H8         G   2  58.030  38.942-108.423
   21    H1     G   2           H1         G   2  56.457  42.926-103.721
   22   1H2     G   2          1H2         G   2  56.546  40.088-101.708
   23   2H2     G   2          2H2         G   2  56.271  41.812-101.817
   24   1H5*    G   3          1H5*        G   3  53.753  33.437-104.155
   25   2H5*    G   3          2H5*        G   3  55.385  33.751-104.747
   26    H4*    G   3           H4*        G   3  55.296  35.145-102.878
   27    H3*    G   3           H3*        G   3  52.398  35.267-103.544
   28   1H2*    G   3          1H2*        G   3  52.203  37.564-103.043
   29   2HO*    G   3          2HO*        G   3  53.552  38.474-101.427
   30    H1*    G   3           H1*        G   3  54.963  38.229-103.079
   31    H8     G   3           H8         G   3  53.796  37.487-106.504
   32    H1     G   3           H1         G   3  52.841  43.498-104.613
   33   1H2     G   3          1H2         G   3  53.109  42.181-101.402
   34   2H2     G   3          2H2         G   3  52.841  43.595-102.399
   35   1H5*    A   4          1H5*        A   4  49.922  34.747 -99.335
   36   2H5*    A   4          2H5*        A   4  50.787  34.366 -97.858
   37    H4*    A   4           H4*        A   4  50.095  36.319 -96.976
   38    H3*    A   4           H3*        A   4  48.870  36.649 -99.728
   39   1H2*    A   4          1H2*        A   4  48.334  38.890 -99.262
   40   2HO*    A   4          2HO*        A   4  48.963  39.750 -97.127
   41    H1*    A   4           H1*        A   4  50.729  39.580 -98.374
   42    H8     A   4           H8         A   4  51.157  36.859-100.847
   43   1H6     A   4          1H6         A   4  50.480  41.060-105.300
   44   2H6     A   4          2H6         A   4  51.021  39.437-104.939
   45    H2     A   4           H2         A   4  49.251  42.918-101.395
   46   1H5*    G   5          1H5*        G   5  44.613  37.420 -96.606
   47   2H5*    G   5          2H5*        G   5  46.369  37.401 -96.770
   48    H4*    G   5           H4*        G   5  45.561  39.699 -96.744
   49    H3*    G   5           H3*        G   5  43.717  38.636 -98.845
   50   1H2*    G   5          1H2*        G   5  43.883  40.489-100.185
   51   2HO*    G   5          2HO*        G   5  44.564  42.519 -99.357
   52    H1*    G   5           H1*        G   5  46.484  41.287 -99.517
   53    H8     G   5           H8         G   5  46.652  37.747-100.552
   54    H1     G   5           H1         G   5  46.408  41.727-105.525
   55   1H2     G   5          1H2         G   5  45.685  43.723-104.892
   56   2H2     G   5          2H2         G   5  45.256  44.074-103.229
   57   1H5*    C   6          1H5*        C   6  39.879  41.308 -97.499
   58   2H5*    C   6          2H5*        C   6  41.258  41.814 -98.521
   59    H4*    C   6           H4*        C   6  39.108  42.413 -99.564
   60    H3*    C   6           H3*        C   6  38.562  39.515 -99.057
   61   1H2*    C   6          1H2*        C   6  37.603  39.134-101.097
   62   2HO*    C   6          2HO*        C   6  36.774  40.835-102.386
   63    H1*    C   6           H1*        C   6  39.067  40.892-102.652
   64   1H4     C   6          1H4         C   6  41.300  35.064-103.871
   65   2H4     C   6          2H4         C   6  42.119  35.021-102.325
   66    H5     C   6           H5         C   6  41.925  36.768-100.679
   67    H6     C   6           H6         C   6  40.893  38.932-100.156
   68   1H5*    U   7          1H5*        U   7  33.600  39.635 -98.599
   69   2H5*    U   7          2H5*        U   7  34.772  40.467 -99.664
   70    H4*    U   7           H4*        U   7  33.589  38.859-101.001
   71    H3*    U   7           H3*        U   7  34.086  37.071 -98.656
   72   1H2*    U   7          1H2*        U   7  34.561  35.225 -99.926
   73   2HO*    U   7          2HO*        U   7  33.815  35.034-102.088
   74    H1*    U   7           H1*        U   7  35.561  36.508-102.224
   75    H3     U   7           H3         U   7  39.009  33.822-101.245
   76    H5     U   7           H5         U   7  38.799  36.350 -97.881
   77    H6     U   7           H6         U   7  36.792  37.328 -98.816
   78   1H5*    C   8          1H5*        C   8  32.213  33.999 -98.114
   79   2H5*    C   8          2H5*        C   8  30.483  33.642 -97.821
   80    H4*    C   8           H4*        C   8  31.421  31.871 -99.174
   81    H3*    C   8           H3*        C   8  32.942  33.990-100.325
   82   1H2*    C   8          1H2*        C   8  31.828  34.427-102.202
   83   2HO*    C   8          2HO*        C   8  33.254  32.778-103.018
   84    H1*    C   8           H1*        C   8  30.029  32.126-102.327
   85   1H4     C   8          1H4         C   8  26.543  36.849-104.635
   86   2H4     C   8          2H4         C   8  27.156  37.955-103.427
   87    H5     C   8           H5         C   8  28.769  37.300-101.752
   88    H6     C   8           H6         C   8  30.153  35.506-100.892
   89   1H5*    A   9          1H5*        A   9  35.343  30.224-103.340
   90   2H5*    A   9          2H5*        A   9  33.559  30.139-103.260
   91    H4*    A   9           H4*        A   9  34.487  29.830-105.563
   92    H3*    A   9           H3*        A   9  35.589  32.542-104.940
   93   1H2*    A   9          1H2*        A   9  35.083  33.402-107.002
   94   2HO*    A   9          2HO*        A   9  34.782  30.740-107.973
   95    H1*    A   9           H1*        A   9  32.782  31.958-107.554
   96    H8     A   9           H8         A   9  31.798  33.296-104.424
   97   1H6     A   9          1H6         A   9  31.913  39.051-106.618
   98   2H6     A   9          2H6         A   9  31.358  38.026-105.314
   99    H2     A   9           H2         A   9  34.123  36.404-109.506
  100   1H5*    A  10          1H5*        A  10  40.082  31.161-107.826
  101   2H5*    A  10          2H5*        A  10  38.402  30.555-107.931
  102    H4*    A  10           H4*        A  10  38.818  31.415-110.075
  103    H3*    A  10           H3*        A  10  40.386  33.514-108.630
  104   1H2*    A  10          1H2*        A  10  39.784  35.189-110.083
  105   2HO*    A  10          2HO*        A  10  38.917  34.728-112.165
  106    H1*    A  10           H1*        A  10  37.221  34.415-110.676
  107    H8     A  10           H8         A  10  37.581  34.229-106.963
  108   1H6     A  10          1H6         A  10  37.200  40.369-106.786
  109   2H6     A  10          2H6         A  10  37.140  38.902-105.838
  110    H2     A  10           H2         A  10  37.841  39.125-111.056
  111   1H5*    C  11          1H5*        C  11  43.536  34.463-112.514
  112   2H5*    C  11          2H5*        C  11  41.809  33.997-112.506
  113    H4*    C  11           H4*        C  11  42.029  36.205-113.479
  114    H3*    C  11           H3*        C  11  43.727  36.688-111.060
  115   1H2*    C  11          1H2*        C  11  42.904  38.801-110.703
  116   2HO*    C  11          2HO*        C  11  41.861  39.988-112.367
  117    H1*    C  11           H1*        C  11  40.330  38.468-111.637
  118   1H4     C  11          1H4         C  11  40.783  37.256-105.137
  119   2H4     C  11          2H4         C  11  39.923  38.769-105.313
  120    H5     C  11           H5         C  11  41.682  36.025-106.999
  121    H6     C  11           H6         C  11  41.977  35.990-109.431
  122   1H5*    U  12          1H5*        U  12  45.756  40.611-114.152
  123   2H5*    U  12          2H5*        U  12  44.102  39.939-114.244
  124    H4*    U  12           H4*        U  12  44.046  42.388-114.145
  125    H3*    U  12           H3*        U  12  45.787  41.906-111.761
  126   1H2*    U  12          1H2*        U  12  44.756  43.500-110.474
  127   2HO*    U  12          2HO*        U  12  44.958  45.159-112.043
  128    H1*    U  12           H1*        U  12  42.174  43.341-111.551
  129    H3     U  12           H3         U  12  41.001  42.087-107.433
  130    H5     U  12           H5         U  12  44.260  39.546-108.265
  131    H6     U  12           H6         U  12  44.482  40.647-110.418
  132   1H5*    C  13          1H5*        C  13  47.774  46.754-112.427
  133   2H5*    C  13          2H5*        C  13  46.299  45.906-112.873
  134    H4*    C  13           H4*        C  13  45.716  47.609-111.282
  135    H3*    C  13           H3*        C  13  48.110  46.541-109.827
  136   1H2*    C  13          1H2*        C  13  47.125  46.807-107.735
  137   2HO*    C  13          2HO*        C  13  45.372  48.529-109.121
  138    H1*    C  13           H1*        C  13  44.674  45.930-108.297
  139   1H4     C  13          1H4         C  13  47.340  40.491-106.531
  140   2H4     C  13          2H4         C  13  47.873  40.231-108.177
  141    H5     C  13           H5         C  13  47.807  41.943-109.868
  142    H6     C  13           H6         C  13  47.053  44.211-110.396
  143   1H5*    U  14          1H5*        U  14  49.355  50.778-107.312
  144   2H5*    U  14          2H5*        U  14  47.763  50.267-107.853
  145    H4*    U  14           H4*        U  14  47.614  50.197-105.519
  146    H3*    U  14           H3*        U  14  50.388  49.013-105.614
  147   1H2*    U  14          1H2*        U  14  49.983  47.909-103.600
  148   2HO*    U  14          2HO*        U  14  47.741  49.657-103.355
  149    H1*    U  14           H1*        U  14  47.344  47.269-104.105
  150    H3     U  14           H3         U  14  49.686  43.408-103.617
  151    H5     U  14           H5         U  14  50.282  44.555-107.625
  152    H6     U  14           H6         U  14  49.265  46.684-107.103
  153   1H5*    C  15          1H5*        C  15  52.320  51.932-101.674
  154   2H5*    C  15          2H5*        C  15  50.684  51.623-102.250
  155    H4*    C  15           H4*        C  15  50.984  50.303-100.281
  156    H3*    C  15           H3*        C  15  53.646  49.717-101.522
  157   1H2*    C  15          1H2*        C  15  53.660  47.519-100.857
  158   2HO*    C  15          2HO*        C  15  52.243  46.758 -99.197
  159    H1*    C  15           H1*        C  15  50.987  46.966-101.012
  160   1H4     C  15          1H4         C  15  53.008  44.134-106.239
  161   2H4     C  15          2H4         C  15  52.847  45.646-107.108
  162    H5     C  15           H5         C  15  52.641  47.792-105.990
  163    H6     C  15           H6         C  15  52.065  48.880-103.880
  164   1H5*    C  16          1H5*        C  16  55.531  48.649 -96.836
  165   2H5*    C  16          2H5*        C  16  53.965  48.834 -97.615
  166    H4*    C  16           H4*        C  16  54.277  46.503 -97.254
  167    H3*    C  16           H3*        C  16  57.028  47.032 -98.341
  168   1H2*    C  16          1H2*        C  16  57.091  44.973 -99.353
  169   2HO*    C  16          2HO*        C  16  55.235  44.250 -97.358
  170    H1*    C  16           H1*        C  16  54.381  44.616 -99.787
  171   1H4     C  16          1H4         C  16  56.668  46.656-105.535
  172   2H4     C  16          2H4         C  16  56.801  44.911-105.573
  173    H5     C  16           H5         C  16  56.140  47.895-103.529
  174    H6     C  16           H6         C  16  55.633  47.706-101.131
  175   1H5*    C  17          1H5*        C  17  58.381  42.682 -95.384
  176   2H5*    C  17          2H5*        C  17  56.804  43.323 -95.821
  177    H4*    C  17           H4*        C  17  56.788  41.198 -96.784
  178    H3*    C  17           H3*        C  17  59.691  41.732 -97.274
  179   1H2*    C  17          1H2*        C  17  59.747  40.511 -99.227
  180   2HO*    C  17          2HO*        C  17  57.816  39.144 -99.735
  181    H1*    C  17           H1*        C  17  57.194  41.063-100.138
  182   1H4     C  17          1H4         C  17  60.638  46.038-102.610
  183   2H4     C  17          2H4         C  17  60.647  44.801-103.849
  184    H5     C  17           H5         C  17  59.787  45.672-100.379
  185    H6     C  17           H6         C  17  58.870  44.000 -98.834
  186   1H5*    C  18          1H5*        C  18  62.001  37.678 -96.725
  187   2H5*    C  18          2H5*        C  18  60.353  38.111 -97.162
  188    H4*    C  18           H4*        C  18  61.482  37.907 -99.213
  189    H3*    C  18           H3*        C  18  63.733  39.327 -97.806
  190   1H2*    C  18          1H2*        C  18  64.397  40.369 -99.765
  191   2HO*    C  18          2HO*        C  18  63.770  39.528-101.821
  192    H1*    C  18           H1*        C  18  61.878  40.448-101.024
  193   1H4     C  18          1H4         C  18  63.169  46.523-100.154
  194   2H4     C  18          2H4         C  18  62.340  46.456 -98.613
  195    H5     C  18           H5         C  18  61.729  44.386 -97.535
  196    H6     C  18           H6         C  18  61.611  41.945 -97.792
  197   1H5*    C  19          1H5*        C  19  66.391  35.863-101.106
  198   2H5*    C  19          2H5*        C  19  64.797  36.566-100.865
  199    H4*    C  19           H4*        C  19  65.449  37.209-103.047
  200    H3*    C  19           H3*        C  19  68.115  37.719-101.760
  201   1H2*    C  19          1H2*        C  19  68.557  39.503-103.143
  202   2HO*    C  19          2HO*        C  19  67.242  39.785-105.110
  203    H1*    C  19           H1*        C  19  65.943  40.335-103.584
  204   1H4     C  19          1H4         C  19  68.407  45.088-100.280
  205   2H4     C  19          2H4         C  19  67.956  44.277 -98.793
  206    H5     C  19           H5         C  19  67.214  41.971 -98.712
  207    H6     C  19           H6         C  19  66.582  40.016-100.056
  208   1H5*    C  20          1H5*        C  20  70.840  35.876-106.046
  209   2H5*    C  20          2H5*        C  20  69.167  36.412-106.076
  210    H4*    C  20           H4*        C  20  70.289  37.776-107.655
  211    H3*    C  20           H3*        C  20  72.449  37.772-105.596
  212   1H2*    C  20          1H2*        C  20  73.093  39.914-105.962
  213   2HO*    C  20          2HO*        C  20  72.231  41.036-107.920
  214    H1*    C  20           H1*        C  20  70.688  41.034-106.569
  215   1H4     C  20          1H4         C  20  71.545  42.885-100.629
  216   2H4     C  20          2H4         C  20  70.836  41.383-100.071
  217    H5     C  20           H5         C  20  70.443  39.499-101.530
  218    H6     C  20           H6         C  20  70.377  38.748-103.865
  219   1H5*    C  21          1H5*        C  21  75.923  37.907-108.665
  220   2H5*    C  21          2H5*        C  21  74.707  38.993-107.932
  221    H4*    C  21           H4*        C  21  77.020  39.892-107.818
  222    H3*    C  21           H3*        C  21  77.445  37.301-106.371
  223   1H2*    C  21          1H2*        C  21  78.780  38.267-104.766
  224   2HO*    C  21          2HO*        C  21  79.198  40.372-106.637
  225    H1*    C  21           H1*        C  21  77.679  40.871-104.846
  226   1H4     C  21          1H4         C  21  76.733  38.027 -99.180
  227   2H4     C  21          2H4         C  21  75.026  38.110 -99.558
  228    H5     C  21           H5         C  21  74.191  38.751-101.713
  229    H6     C  21           H6         C  21  74.775  39.468-103.984
  230   1H5*    U  22          1H5*        U  22  81.726  37.927-108.675
  231   2H5*    U  22          2H5*        U  22  82.532  39.512-108.877
  232    H4*    U  22           H4*        U  22  83.353  39.393-106.563
  233    H3*    U  22           H3*        U  22  84.234  37.838-108.730
  234   1H2*    U  22          1H2*        U  22  83.614  35.770-108.041
  235   2HO*    U  22          2HO*        U  22  85.176  34.831-106.628
  236    H1*    U  22           H1*        U  22  83.720  36.330-105.119
  237    H3     U  22           H3         U  22  82.302  31.955-106.313
  238    H5     U  22           H5         U  22  78.945  34.469-105.893
  239    H6     U  22           H6         U  22  80.453  36.367-105.854
  240   1H5*    U  23          1H5*        U  23  87.555  35.664-108.018
  241   2H5*    U  23          2H5*        U  23  88.885  36.612-108.747
  242    H4*    U  23           H4*        U  23  89.740  34.753-107.357
  243    H3*    U  23           H3*        U  23  87.940  36.030-105.354
  244   1H2*    U  23          1H2*        U  23  89.408  35.962-103.648
  245   2HO*    U  23          2HO*        U  23  91.155  34.462-103.601
  246    H1*    U  23           H1*        U  23  91.808  36.064-105.034
  247    H3     U  23           H3         U  23  92.269  39.695-102.442
  248    H5     U  23           H5         U  23  88.811  40.559-104.694
  249    H6     U  23           H6         U  23  88.973  38.341-105.669
  250   1H5*    U  24          1H5*        U  24  86.944  30.681-104.308
  251   2H5*    U  24          2H5*        U  24  88.388  31.578-104.857
  252    H4*    U  24           H4*        U  24  88.806  29.998-102.955
  253    H3*    U  24           H3*        U  24  86.852  31.860-101.646
  254   1H2*    U  24          1H2*        U  24  87.982  31.778 -99.653
  255   2HO*    U  24          2HO*        U  24  89.334  29.456-100.604
  256    H1*    U  24           H1*        U  24  90.547  31.449-100.705
  257    H3     U  24           H3         U  24  90.495  35.016 -97.881
  258    H5     U  24           H5         U  24  88.701  36.425-101.418
  259    H6     U  24           H6         U  24  88.780  34.149-102.295
  260   1H5*    U  25          1H5*        U  25  83.434  29.064 -99.361
  261   2H5*    U  25          2H5*        U  25  85.146  28.680 -99.446
  262    H4*    U  25           H4*        U  25  84.640  29.316 -97.194
  263    H3*    U  25           H3*        U  25  83.343  31.721 -98.475
  264   1H2*    U  25          1H2*        U  25  83.867  32.981 -96.568
  265   2HO*    U  25          2HO*        U  25  84.707  31.934 -94.676
  266    H1*    U  25           H1*        U  25  86.330  31.928 -96.153
  267    H3     U  25           H3         U  25  86.812  36.330 -97.139
  268    H5     U  25           H5         U  25  86.702  34.345-100.854
  269    H6     U  25           H6         U  25  86.012  32.335 -99.689
  270   1H5*    C  26          1H5*        C  26  79.070  31.880 -95.564
  271   2H5*    C  26          2H5*        C  26  80.654  31.168 -95.291
  272    H4*    C  26           H4*        C  26  80.542  33.071 -93.888
  273    H3*    C  26           H3*        C  26  79.387  34.429 -96.314
  274   1H2*    C  26          1H2*        C  26  80.342  36.438 -95.708
  275   2HO*    C  26          2HO*        C  26  80.410  35.323 -93.101
  276    H1*    C  26           H1*        C  26  82.594  35.433 -94.428
  277   1H4     C  26          1H4         C  26  84.912  38.250 -99.559
  278   2H4     C  26          2H4         C  26  84.719  36.758-100.453
  279    H5     C  26           H5         C  26  83.451  34.877 -99.624
  280    H6     C  26           H6         C  26  82.260  33.956 -97.694
  281   1H5*    C  27          1H5*        C  27  76.145  37.035 -92.888
  282   2H5*    C  27          2H5*        C  27  77.574  36.008 -92.818
  283    H4*    C  27           H4*        C  27  78.279  38.219 -92.270
  284    H3*    C  27           H3*        C  27  76.646  39.004 -94.678
  285   1H2*    C  27          1H2*        C  27  78.103  40.707 -95.203
  286   2HO*    C  27          2HO*        C  27  78.838  40.550 -92.465
  287    H1*    C  27           H1*        C  27  80.449  39.510 -94.237
  288   1H4     C  27          1H4         C  27  81.176  39.594-100.497
  289   2H4     C  27          2H4         C  27  80.446  38.006-100.584
  290    H5     C  27           H5         C  27  79.277  36.989 -98.728
  291    H6     C  27           H6         C  27  78.737  37.194 -96.344
  292   1H5*    G  28          1H5*        G  28  74.873  43.546 -92.498
  293   2H5*    G  28          2H5*        G  28  76.259  42.579 -92.014
  294    H4*    G  28           H4*        G  28  77.185  44.626 -92.709
  295    H3*    G  28           H3*        G  28  75.089  44.492 -94.852
  296   1H2*    G  28          1H2*        G  28  76.427  45.503 -96.428
  297   2HO*    G  28          2HO*        G  28  78.443  46.564 -95.711
  298    H1*    G  28           H1*        G  28  78.877  44.512 -95.629
  299    H8     G  28           H8         G  28  76.354  41.731 -95.913
  300    H1     G  28           H1         G  28  78.993  43.362-101.477
  301   1H2     G  28          1H2         G  28  79.991  46.253 -99.810
  302   2H2     G  28          2H2         G  28  79.975  45.344-101.305
  303   1H5*    A  29          1H5*        A  29  74.949  49.746 -95.007
  304   2H5*    A  29          2H5*        A  29  76.137  48.591 -94.421
  305    H4*    A  29           H4*        A  29  77.201  49.695 -96.207
  306    H3*    A  29           H3*        A  29  74.549  49.400 -97.607
  307   1H2*    A  29          1H2*        A  29  75.622  49.381 -99.668
  308   2HO*    A  29          2HO*        A  29  77.895  49.997 -99.794
  309    H1*    A  29           H1*        A  29  77.930  48.053 -98.832
  310    H8     A  29           H8         A  29  74.907  46.092 -97.789
  311   1H6     A  29          1H6         A  29  75.201  43.418-103.347
  312   2H6     A  29          2H6         A  29  74.570  43.276-101.719
  313    H2     A  29           H2         A  29  77.726  47.137-103.437
  314   1H5*    G  30          1H5*        G  30  73.946  53.274-100.385
  315   2H5*    G  30          2H5*        G  30  75.457  52.585 -99.810
  316    H4*    G  30           H4*        G  30  75.269  51.990-102.104
  317    H3*    G  30           H3*        G  30  72.438  51.273-101.368
  318   1H2*    G  30          1H2*        G  30  72.401  49.588-102.967
  319   2HO*    G  30          2HO*        G  30  74.733  50.848-104.019
  320    H1*    G  30           H1*        G  30  74.968  48.693-102.639
  321    H8     G  30           H8         G  30  73.273  49.184 -99.275
  322    H1     G  30           H1         G  30  71.858  43.698-102.171
  323   1H2     G  30          1H2         G  30  73.127  45.247-105.015
  324   2H2     G  30          2H2         G  30  72.397  43.821-104.316
  325   1H5*    G  31          1H5*        G  31  70.655  53.491-105.993
  326   2H5*    G  31          2H5*        G  31  72.253  52.957-105.483
  327    H4*    G  31           H4*        G  31  71.611  51.582-107.334
  328    H3*    G  31           H3*        G  31  68.999  51.498-105.874
  329   1H2*    G  31          1H2*        G  31  68.577  49.288-106.442
  330   2HO*    G  31          2HO*        G  31  70.096  48.238-108.015
  331    H1*    G  31           H1*        G  31  71.108  48.297-106.191
  332    H8     G  31           H8         G  31  70.351  50.742-103.408
  333    H1     G  31           H1         G  31  68.349  44.823-102.153
  334   1H2     G  31          1H2         G  31  68.721  44.258-105.545
  335   2H2     G  31          2H2         G  31  68.263  43.631-103.982
  336   1H5*    G  32          1H5*        G  32  67.416  49.612-110.180
  337   2H5*    G  32          2H5*        G  32  68.779  50.054-109.163
  338    H4*    G  32           H4*        G  32  68.616  47.801-108.753
  339    H3*    G  32           H3*        G  32  65.642  48.168-109.008
  340   1H2*    G  32          1H2*        G  32  65.271  46.326-107.637
  341   2HO*    G  32          2HO*        G  32  66.791  44.681-107.441
  342    H1*    G  32           H1*        G  32  67.723  46.496-106.211
  343    H8     G  32           H8         G  32  65.865  49.590-105.478
  344    H1     G  32           H1         G  32  63.860  44.613-102.052
  345   1H2     G  32          1H2         G  32  65.342  42.682-104.537
  346   2H2     G  32          2H2         G  32  64.441  42.722-103.037
  347   1H5*    U  33          1H5*        U  33  63.658  46.332-112.778
  348   2H5*    U  33          2H5*        U  33  64.188  48.040-112.911
  349    H4*    U  33           H4*        U  33  63.627  46.444-115.031
  350    H3*    U  33           H3*        U  33  66.121  45.492-114.102
  351   1H2*    U  33          1H2*        U  33  67.478  47.141-114.901
  352   2HO*    U  33          2HO*        U  33  68.073  46.774-117.069
  353    H1*    U  33           H1*        U  33  65.686  47.945-117.140
  354    H3     U  33           H3         U  33  68.338  51.471-117.810
  355    H5     U  33           H5         U  33  68.090  51.295-113.606
  356    H6     U  33           H6         U  33  66.740  49.290-113.836
  357   1H5*    C  34          1H5*        C  34  67.867  41.748-116.714
  358   2H5*    C  34          2H5*        C  34  67.715  43.199-117.747
  359    H4*    C  34           H4*        C  34  70.055  42.548-117.558
  360    H3*    C  34           H3*        C  34  69.424  42.543-114.628
  361   1H2*    C  34          1H2*        C  34  71.448  43.479-114.038
  362   2HO*    C  34          2HO*        C  34  72.390  42.841-116.658
  363    H1*    C  34           H1*        C  34  71.796  45.187-116.173
  364   1H4     C  34          1H4         C  34  68.410  47.462-110.911
  365   2H4     C  34          2H4         C  34  69.726  48.580-111.189
  366    H5     C  34           H5         C  34  67.974  45.541-112.364
  367    H6     C  34           H6         C  34  68.761  44.266-114.261
  368   1H5*    A  35          1H5*        A  35  73.605  40.243-114.120
  369   2H5*    A  35          2H5*        A  35  72.729  41.514-115.005
  370    H4*    A  35           H4*        A  35  74.364  42.719-113.959
  371    H3*    A  35           H3*        A  35  74.565  40.505-112.221
  372   1H2*    A  35          1H2*        A  35  73.463  41.339-110.408
  373   2HO*    A  35          2HO*        A  35  75.709  43.108-110.398
  374    H1*    A  35           H1*        A  35  73.912  44.192-111.143
  375    H8     A  35           H8         A  35  70.634  43.377-111.816
  376   1H6     A  35          1H6         A  35  68.437  44.599-107.715
  377   2H6     A  35          2H6         A  35  68.990  44.721-106.064
  378    H2     A  35           H2         A  35  73.377  43.745-106.075
  379   1H5*    U  36          1H5*        U  36  79.638  42.998-112.005
  380   2H5*    U  36          2H5*        U  36  78.033  43.484-112.526
  381    H4*    U  36           H4*        U  36  78.863  45.321-111.322
  382    H3*    U  36           H3*        U  36  79.885  43.252-109.393
  383   1H2*    U  36          1H2*        U  36  79.664  44.708-107.623
  384   2HO*    U  36          2HO*        U  36  79.823  46.698-109.626
  385    H1*    U  36           H1*        U  36  77.442  46.109-108.547
  386    H3     U  36           H3         U  36  76.525  44.440-104.434
  387    H5     U  36           H5         U  36  75.652  41.373-107.184
  388    H6     U  36           H6         U  36  76.778  42.650-108.891
  389   1H5*    C  37          1H5*        C  37  84.174  46.165-108.677
  390   2H5*    C  37          2H5*        C  37  82.560  46.350-109.351
  391    H4*    C  37           H4*        C  37  82.579  47.538-107.298
  392    H3*    C  37           H3*        C  37  83.845  45.047-106.149
  393   1H2*    C  37          1H2*        C  37  82.879  45.532-104.101
  394   2HO*    C  37          2HO*        C  37  82.023  47.655-103.672
  395    H1*    C  37           H1*        C  37  80.580  46.781-105.107
  396   1H4     C  37          1H4         C  37  78.685  41.539-102.162
  397   2H4     C  37          2H4         C  37  78.753  40.681-103.685
  398    H5     C  37           H5         C  37  79.794  41.590-105.667
  399    H6     C  37           H6         C  37  80.817  43.580-106.656
  400   1H5*    G  38          1H5*        G  38  87.479  47.698-103.152
  401   2H5*    G  38          2H5*        G  38  86.072  48.461-103.878
  402    H4*    G  38           H4*        G  38  85.700  48.824-101.618
  403    H3*    G  38           H3*        G  38  87.065  46.175-101.261
  404   1H2*    G  38          1H2*        G  38  85.829  45.623 -99.399
  405   2HO*    G  38          2HO*        G  38  85.302  48.415 -99.225
  406    H1*    G  38           H1*        G  38  83.436  46.816-100.076
  407    H8     G  38           H8         G  38  84.808  44.739-102.923
  408    H1     G  38           H1         G  38  81.598  41.345 -98.589
  409   1H2     G  38          1H2         G  38  82.023  44.130 -96.543
  410   2H2     G  38          2H2         G  38  81.393  42.507 -96.713
  411   1H5*    G  39          1H5*        G  39  89.045  47.815 -96.626
  412   2H5*    G  39          2H5*        G  39  87.706  48.388 -97.611
  413    H4*    G  39           H4*        G  39  86.733  47.604 -95.602
  414    H3*    G  39           H3*        G  39  88.591  45.256 -95.947
  415   1H2*    G  39          1H2*        G  39  87.082  43.860 -94.859
  416   2HO*    G  39          2HO*        G  39  85.891  46.287 -93.972
  417    H1*    G  39           H1*        G  39  84.792  44.913 -95.946
  418    H8     G  39           H8         G  39  87.361  44.477 -98.658
  419    H1     G  39           H1         G  39  84.325  39.071 -97.185
  420   1H2     G  39          1H2         G  39  83.319  39.270 -95.223
  421   2H2     G  39          2H2         G  39  83.383  40.744 -94.282
  422   1H5*    A  40          1H5*        A  40  90.223  44.556 -91.052
  423   2H5*    A  40          2H5*        A  40  88.751  45.396 -91.522
  424    H4*    A  40           H4*        A  40  87.890  43.498 -90.518
  425    H3*    A  40           H3*        A  40  90.354  42.157 -91.577
  426   1H2*    A  40          1H2*        A  40  89.298  40.136 -91.859
  427   2HO*    A  40          2HO*        A  40  87.300  39.690 -90.727
  428    H1*    A  40           H1*        A  40  86.698  41.064 -92.282
  429    H8     A  40           H8         A  40  89.043  42.512 -94.833
  430   1H6     A  40          1H6         A  40  87.753  37.518 -98.199
  431   2H6     A  40          2H6         A  40  88.346  39.163 -98.244
  432    H2     A  40           H2         A  40  86.513  36.697 -93.953
  433   1H5*    A  41          1H5*        A  41  89.087  39.335 -87.124
  434   2H5*    A  41          2H5*        A  41  88.180  40.403 -88.235
  435    H4*    A  41           H4*        A  41  86.944  38.342 -87.976
  436    H3*    A  41           H3*        A  41  89.627  37.097 -88.421
  437   1H2*    A  41          1H2*        A  41  88.835  35.410 -89.760
  438   2HO*    A  41          2HO*        A  41  86.221  36.004 -88.783
  439    H1*    A  41           H1*        A  41  86.818  36.734 -91.054
  440    H8     A  41           H8         A  41  90.173  38.517 -90.681
  441   1H6     A  41          1H6         A  41  92.313  36.959 -94.716
  442   2H6     A  41          2H6         A  41  91.867  35.774 -95.923
  443    H2     A  41           H2         A  41  87.886  34.097 -94.694
  444   1H5*    C  42          1H5*        C  42  88.497  32.993 -85.895
  445   2H5*    C  42          2H5*        C  42  87.697  33.582 -87.383
  446    H4*    C  42           H4*        C  42  88.444  31.177 -87.468
  447    H3*    C  42           H3*        C  42  91.066  32.533 -87.006
  448   1H2*    C  42          1H2*        C  42  92.162  31.363 -88.611
  449   2HO*    C  42          2HO*        C  42  91.440  29.305 -89.324
  450    H1*    C  42           H1*        C  42  90.076  30.769 -90.306
  451   1H4     C  42          1H4         C  42  93.775  34.752 -93.556
  452   2H4     C  42          2H4         C  42  93.578  36.004 -92.349
  453    H5     C  42           H5         C  42  92.298  35.703 -90.334
  454    H6     C  42           H6         C  42  90.935  34.136 -89.032
  455   1H5*    C  43          1H5*        C  43  92.419  27.757 -85.953
  456   2H5*    C  43          2H5*        C  43  91.504  28.590 -87.244
  457    H4*    C  43           H4*        C  43  93.246  26.992 -88.090
  458    H3*    C  43           H3*        C  43  94.957  28.832 -86.469
  459   1H2*    C  43          1H2*        C  43  96.606  28.999 -88.040
  460   2HO*    C  43          2HO*        C  43  95.503  26.687 -89.301
  461    H1*    C  43           H1*        C  43  95.071  28.877 -90.340
  462   1H4     C  43          1H4         C  43  96.754  34.939 -89.299
  463   2H4     C  43          2H4         C  43  95.582  35.071 -88.008
  464    H5     C  43           H5         C  43  94.245  33.223 -87.244
  465    H6     C  43           H6         C  43  93.697  30.839 -87.596
  466   1H5*    A  44          1H5*        A  44  96.342  23.533 -84.672
  467   2H5*    A  44          2H5*        A  44  95.838  24.293 -86.210
  468    H4*    A  44           H4*        A  44  98.050  23.312 -86.464
  469    H3*    A  44           H3*        A  44  98.456  24.493 -83.822
  470   1H2*    A  44          1H2*        A  44  99.911  26.082 -84.352
  471   2HO*    A  44          2HO*        A  44 101.339  24.061 -85.775
  472    H1*    A  44           H1*        A  44 100.294  25.411 -87.201
  473    H8     A  44           H8         A  44  97.609  27.848 -86.325
  474   1H6     A  44          1H6         A  44 100.104  31.982 -86.543
  475   2H6     A  44          2H6         A  44 101.810  32.341 -86.683
  476    H2     A  44           H2         A  44 103.964  28.399 -86.832
  477    H3T    A  44           H3T        A  44  98.868  22.299 -84.457
   
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  63.490  39.675-111.670
    2   2H5*    G   1          2H5*        G   1  63.827  40.729-110.275
    3    H4*    G   1           H4*        G   1  64.061  38.020-110.242
    4    H3*    G   1           H3*        G   1  61.214  38.707-109.731
    5   1H2*    G   1          1H2*        G   1  61.047  37.572-107.698
    6   2HO*    G   1          2HO*        G   1  62.456  35.981-107.094
    7    H1*    G   1           H1*        G   1  63.410  38.183-106.632
    8    H8     G   1           H8         G   1  62.565  41.268-108.496
    9    H1     G   1           H1         G   1  59.972  41.081-102.684
   10   1H2     G   1          1H2         G   1  60.557  37.659-102.828
   11   2H2     G   1          2H2         G   1  59.928  39.017-101.915
   12    H5T    G   1           H5T        G   1  61.590  40.560-109.746
   13   1H5*    G   2          1H5*        G   2  58.754  34.855-109.692
   14   2H5*    G   2          2H5*        G   2  60.397  35.255-109.215
   15    H4*    G   2           H4*        G   2  59.151  35.223-107.217
   16    H3*    G   2           H3*        G   2  57.093  36.804-108.754
   17   1H2*    G   2          1H2*        G   2  56.450  37.854-106.792
   18   2HO*    G   2          2HO*        G   2  57.640  35.625-105.480
   19    H1*    G   2           H1*        G   2  58.924  37.729-105.489
   20    H8     G   2           H8         G   2  59.175  39.674-108.676
   21    H1     G   2           H1         G   2  56.567  42.971-103.893
   22   1H2     G   2          1H2         G   2  56.151  39.852-102.398
   23   2H2     G   2          2H2         G   2  55.922  41.582-102.288
   24   1H5*    G   3          1H5*        G   3  53.427  33.506-106.304
   25   2H5*    G   3          2H5*        G   3  55.152  33.832-106.162
   26    H4*    G   3           H4*        G   3  54.182  34.606-104.136
   27    H3*    G   3           H3*        G   3  52.051  35.627-105.967
   28   1H2*    G   3          1H2*        G   3  51.730  37.571-104.795
   29   2HO*    G   3          2HO*        G   3  52.517  37.708-102.554
   30    H1*    G   3           H1*        G   3  54.264  37.846-103.676
   31    H8     G   3           H8         G   3  54.407  37.701-107.424
   32    H1     G   3           H1         G   3  53.034  43.469-105.096
   33   1H2     G   3          1H2         G   3  52.257  41.752-102.170
   34   2H2     G   3          2H2         G   3  52.348  43.291-102.996
   35   1H5*    A   4          1H5*        A   4  48.649  34.393-101.655
   36   2H5*    A   4          2H5*        A   4  50.406  34.449-101.675
   37    H4*    A   4           H4*        A   4  49.803  35.823 -99.859
   38    H3*    A   4           H3*        A   4  47.557  36.672-101.652
   39   1H2*    A   4          1H2*        A   4  47.553  38.849-100.901
   40   2HO*    A   4          2HO*        A   4  48.952  37.796 -98.661
   41    H1*    A   4           H1*        A   4  50.238  39.207-100.531
   42    H8     A   4           H8         A   4  49.621  37.435-103.772
   43   1H6     A   4          1H6         A   4  49.205  43.018-106.328
   44   2H6     A   4          2H6         A   4  49.455  41.315-106.638
   45    H2     A   4           H2         A   4  48.911  43.494-101.867
   46   1H5*    G   5          1H5*        G   5  44.174  37.729 -98.017
   47   2H5*    G   5          2H5*        G   5  45.932  37.657 -98.037
   48    H4*    G   5           H4*        G   5  45.421  39.956 -97.927
   49    H3*    G   5           H3*        G   5  43.254  39.241 -99.868
   50   1H2*    G   5          1H2*        G   5  43.403  41.242-100.994
   51   2HO*    G   5          2HO*        G   5  44.436  42.180 -98.534
   52    H1*    G   5           H1*        G   5  46.128  41.770-100.536
   53    H8     G   5           H8         G   5  45.727  38.422-102.147
   54    H1     G   5           H1         G   5  45.614  43.236-106.321
   55   1H2     G   5          1H2         G   5  45.217  45.155-105.287
   56   2H2     G   5          2H2         G   5  44.990  45.249-103.552
   57   1H5*    C   6          1H5*        C   6  39.547  41.614 -97.591
   58   2H5*    C   6          2H5*        C   6  40.730  42.490 -98.609
   59    H4*    C   6           H4*        C   6  38.380  42.998 -99.230
   60    H3*    C   6           H3*        C   6  38.297  40.017 -99.462
   61   1H2*    C   6          1H2*        C   6  37.137  40.012-101.433
   62   2HO*    C   6          2HO*        C   6  35.920  41.833-102.124
   63    H1*    C   6           H1*        C   6  38.108  42.358-102.558
   64   1H4     C   6          1H4         C   6  40.926  37.658-105.759
   65   2H4     C   6          2H4         C   6  41.734  37.090-104.314
   66    H5     C   6           H5         C   6  41.405  38.074-102.147
   67    H6     C   6           H6         C   6  40.261  39.840-100.890
   68   1H5*    U   7          1H5*        U   7  33.273  39.807 -98.774
   69   2H5*    U   7          2H5*        U   7  34.411  40.883 -99.638
   70    H4*    U   7           H4*        U   7  33.019  39.827-101.284
   71    H3*    U   7           H3*        U   7  33.578  37.372 -99.669
   72   1H2*    U   7          1H2*        U   7  33.811  36.002-101.499
   73   2HO*    U   7          2HO*        U   7  32.384  37.953-103.009
   74    H1*    U   7           H1*        U   7  34.686  37.918-103.370
   75    H3     U   7           H3         U   7  38.020  34.960-103.729
   76    H5     U   7           H5         U   7  38.276  36.168 -99.701
   77    H6     U   7           H6         U   7  36.274  37.487-100.030
   78   1H5*    C   8          1H5*        C   8  32.090  34.498 -99.832
   79   2H5*    C   8          2H5*        C   8  30.498  33.950 -99.223
   80    H4*    C   8           H4*        C   8  31.195  32.490-101.023
   81    H3*    C   8           H3*        C   8  32.113  34.984-102.194
   82   1H2*    C   8          1H2*        C   8  30.722  35.190-103.899
   83   2HO*    C   8          2HO*        C   8  32.033  33.716-105.028
   84    H1*    C   8           H1*        C   8  29.106  32.800-103.632
   85   1H4     C   8          1H4         C   8  24.959  37.364-104.969
   86   2H4     C   8          2H4         C   8  25.792  38.492-103.923
   87    H5     C   8           H5         C   8  27.778  37.901-102.682
   88    H6     C   8           H6         C   8  29.400  36.166-102.194
   89   1H5*    A   9          1H5*        A   9  34.135  31.722-105.688
   90   2H5*    A   9          2H5*        A   9  32.358  31.778-105.500
   91    H4*    A   9           H4*        A   9  33.067  31.539-107.866
   92    H3*    A   9           H3*        A   9  34.559  34.047-107.190
   93   1H2*    A   9          1H2*        A   9  34.050  35.066-109.187
   94   2HO*    A   9          2HO*        A   9  33.329  32.502-110.203
   95    H1*    A   9           H1*        A   9  31.527  34.018-109.604
   96    H8     A   9           H8         A   9  30.994  35.244-106.313
   97   1H6     A   9          1H6         A   9  31.749  41.072-108.146
   98   2H6     A   9          2H6         A   9  31.159  40.037-106.865
   99    H2     A   9           H2         A   9  33.321  38.376-111.379
  100   1H5*    A  10          1H5*        A  10  38.462  33.090-110.572
  101   2H5*    A  10          2H5*        A  10  36.732  32.639-110.592
  102    H4*    A  10           H4*        A  10  36.913  34.129-112.381
  103    H3*    A  10           H3*        A  10  38.897  35.560-110.648
  104   1H2*    A  10          1H2*        A  10  38.303  37.630-111.449
  105   2HO*    A  10          2HO*        A  10  38.466  37.026-113.671
  106    H1*    A  10           H1*        A  10  35.610  37.205-111.881
  107    H8     A  10           H8         A  10  36.371  36.090-108.407
  108   1H6     A  10          1H6         A  10  36.740  42.007-106.754
  109   2H6     A  10          2H6         A  10  36.612  40.361-106.174
  110    H2     A  10           H2         A  10  36.747  41.796-111.245
  111   1H5*    C  11          1H5*        C  11  41.794  37.305-114.582
  112   2H5*    C  11          2H5*        C  11  40.035  36.980-114.570
  113    H4*    C  11           H4*        C  11  40.347  39.335-114.972
  114    H3*    C  11           H3*        C  11  42.321  39.092-112.733
  115   1H2*    C  11          1H2*        C  11  41.732  41.080-111.755
  116   2HO*    C  11          2HO*        C  11  40.603  42.709-112.919
  117    H1*    C  11           H1*        C  11  39.050  41.143-112.366
  118   1H4     C  11          1H4         C  11  40.092  37.999-106.630
  119   2H4     C  11          2H4         C  11  39.389  39.549-106.233
  120    H5     C  11           H5         C  11  40.668  37.345-108.871
  121    H6     C  11           H6         C  11  40.688  38.033-111.221
  122   1H5*    U  12          1H5*        U  12  44.282  43.657-114.933
  123   2H5*    U  12          2H5*        U  12  42.611  43.039-115.093
  124    H4*    U  12           H4*        U  12  42.556  45.359-114.367
  125    H3*    U  12           H3*        U  12  44.546  44.370-112.360
  126   1H2*    U  12          1H2*        U  12  43.663  45.586-110.631
  127   2HO*    U  12          2HO*        U  12  42.333  47.199-112.569
  128    H1*    U  12           H1*        U  12  40.979  45.600-111.410
  129    H3     U  12           H3         U  12  40.324  43.307-107.639
  130    H5     U  12           H5         U  12  43.483  41.188-109.454
  131    H6     U  12           H6         U  12  43.434  42.802-111.268
  132   1H5*    C  13          1H5*        C  13  46.808  49.232-112.468
  133   2H5*    C  13          2H5*        C  13  45.207  48.586-112.811
  134    H4*    C  13           H4*        C  13  45.050  50.073-110.913
  135    H3*    C  13           H3*        C  13  47.437  48.513-109.994
  136   1H2*    C  13          1H2*        C  13  46.748  48.493-107.772
  137   2HO*    C  13          2HO*        C  13  45.040  50.598-108.586
  138    H1*    C  13           H1*        C  13  44.154  48.022-108.121
  139   1H4     C  13          1H4         C  13  46.241  42.084-107.662
  140   2H4     C  13          2H4         C  13  46.569  42.077-109.381
  141    H5     C  13           H5         C  13  46.546  44.067-110.736
  142    H6     C  13           H6         C  13  46.048  46.463-110.768
  143   1H5*    U  14          1H5*        U  14  49.610  52.133-107.093
  144   2H5*    U  14          2H5*        U  14  47.900  51.980-107.481
  145    H4*    U  14           H4*        U  14  47.969  51.549-105.189
  146    H3*    U  14           H3*        U  14  50.563  50.157-105.801
  147   1H2*    U  14          1H2*        U  14  50.239  48.610-104.111
  148   2HO*    U  14          2HO*        U  14  48.433  50.538-103.074
  149    H1*    U  14           H1*        U  14  47.496  48.372-104.267
  150    H3     U  14           H3         U  14  49.178  44.253-105.065
  151    H5     U  14           H5         U  14  49.457  46.282-108.746
  152    H6     U  14           H6         U  14  48.975  48.341-107.573
  153   1H5*    C  15          1H5*        C  15  51.876  51.490-100.883
  154   2H5*    C  15          2H5*        C  15  50.480  51.437-101.956
  155    H4*    C  15           H4*        C  15  50.236  49.624-100.435
  156    H3*    C  15           H3*        C  15  53.151  49.176-101.011
  157   1H2*    C  15          1H2*        C  15  52.930  46.886-100.857
  158   2HO*    C  15          2HO*        C  15  51.029  45.944 -99.874
  159    H1*    C  15           H1*        C  15  50.356  46.650-101.810
  160   1H4     C  15          1H4         C  15  53.744  44.298-106.555
  161   2H4     C  15          2H4         C  15  53.873  45.905-107.240
  162    H5     C  15           H5         C  15  53.302  47.910-106.018
  163    H6     C  15           H6         C  15  52.256  48.787-103.988
  164   1H5*    C  16          1H5*        C  16  53.851  47.202 -96.291
  165   2H5*    C  16          2H5*        C  16  52.505  47.558 -97.366
  166    H4*    C  16           H4*        C  16  52.803  45.192 -97.378
  167    H3*    C  16           H3*        C  16  55.709  45.881 -97.751
  168   1H2*    C  16          1H2*        C  16  56.033  44.015 -99.057
  169   2HO*    C  16          2HO*        C  16  54.444  42.276 -99.034
  170    H1*    C  16           H1*        C  16  53.501  43.823-100.125
  171   1H4     C  16          1H4         C  16  57.042  46.784-104.733
  172   2H4     C  16          2H4         C  16  57.232  45.067-105.026
  173    H5     C  16           H5         C  16  56.010  47.679-102.732
  174    H6     C  16           H6         C  16  54.890  47.099-100.621
  175   1H5*    C  17          1H5*        C  17  57.307  41.932 -94.350
  176   2H5*    C  17          2H5*        C  17  55.719  42.102 -95.085
  177    H4*    C  17           H4*        C  17  56.470  40.011 -95.835
  178    H3*    C  17           H3*        C  17  59.128  41.375 -96.011
  179   1H2*    C  17          1H2*        C  17  59.801  40.159 -97.842
  180   2HO*    C  17          2HO*        C  17  57.875  38.281 -96.941
  181    H1*    C  17           H1*        C  17  57.300  39.763 -99.025
  182   1H4     C  17          1H4         C  17  59.436  45.207-101.927
  183   2H4     C  17          2H4         C  17  60.015  43.896-102.929
  184    H5     C  17           H5         C  17  58.492  44.875 -99.735
  185    H6     C  17           H6         C  17  57.759  43.205 -98.099
  186   1H5*    C  18          1H5*        C  18  61.796  37.221 -94.678
  187   2H5*    C  18          2H5*        C  18  60.173  37.589 -95.254
  188    H4*    C  18           H4*        C  18  61.401  36.921 -97.164
  189    H3*    C  18           H3*        C  18  63.573  38.643 -96.000
  190   1H2*    C  18          1H2*        C  18  64.298  39.313 -98.092
  191   2HO*    C  18          2HO*        C  18  63.252  36.819 -98.841
  192    H1*    C  18           H1*        C  18  61.845  39.051 -99.457
  193   1H4     C  18          1H4         C  18  63.001  45.199 -99.821
  194   2H4     C  18          2H4         C  18  62.079  45.440 -98.352
  195    H5     C  18           H5         C  18  61.433  43.628 -96.890
  196    H6     C  18           H6         C  18  61.342  41.185 -96.637
  197   1H5*    C  19          1H5*        C  19  66.539  34.853 -98.613
  198   2H5*    C  19          2H5*        C  19  64.870  35.407 -98.618
  199    H4*    C  19           H4*        C  19  65.554  35.718-100.835
  200    H3*    C  19           H3*        C  19  68.169  36.505 -99.595
  201   1H2*    C  19          1H2*        C  19  68.640  38.040-101.235
  202   2HO*    C  19          2HO*        C  19  67.426  37.958-103.276
  203    H1*    C  19           H1*        C  19  66.033  38.737-101.919
  204   1H4     C  19          1H4         C  19  68.252  44.021 -99.339
  205   2H4     C  19          2H4         C  19  67.763  43.447 -97.757
  206    H5     C  19           H5         C  19  67.083  41.162 -97.330
  207    H6     C  19           H6         C  19  66.545  39.002 -98.362
  208   1H5*    C  20          1H5*        C  20  71.006  34.190-103.592
  209   2H5*    C  20          2H5*        C  20  69.306  34.610-103.744
  210    H4*    C  20           H4*        C  20  70.332  35.766-105.515
  211    H3*    C  20           H3*        C  20  72.543  36.128-103.548
  212   1H2*    C  20          1H2*        C  20  73.131  38.199-104.260
  213   2HO*    C  20          2HO*        C  20  72.223  38.982-106.349
  214    H1*    C  20           H1*        C  20  70.686  39.159-104.990
  215   1H4     C  20          1H4         C  20  71.577  42.008 -99.467
  216   2H4     C  20          2H4         C  20  70.925  40.603 -98.651
  217    H5     C  20           H5         C  20  70.561  38.491 -99.761
  218    H6     C  20           H6         C  20  70.505  37.348-101.933
  219   1H5*    C  21          1H5*        C  21  75.853  35.935-106.821
  220   2H5*    C  21          2H5*        C  21  74.641  37.077-106.170
  221    H4*    C  21           H4*        C  21  76.893  38.088-106.369
  222    H3*    C  21           H3*        C  21  77.587  35.723-104.677
  223   1H2*    C  21          1H2*        C  21  78.957  36.914-103.276
  224   2HO*    C  21          2HO*        C  21  79.158  38.794-105.402
  225    H1*    C  21           H1*        C  21  77.724  39.440-103.523
  226   1H4     C  21          1H4         C  21  77.155  37.046 -97.593
  227   2H4     C  21          2H4         C  21  75.432  37.047 -97.893
  228    H5     C  21           H5         C  21  74.476  37.481-100.051
  229    H6     C  21           H6         C  21  74.932  38.038-102.396
  230   1H5*    U  22          1H5*        U  22  81.669  37.396-108.179
  231   2H5*    U  22          2H5*        U  22  82.031  39.087-107.717
  232    H4*    U  22           H4*        U  22  83.193  38.262-105.692
  233    H3*    U  22           H3*        U  22  84.096  38.126-108.359
  234   1H2*    U  22          1H2*        U  22  84.204  35.884-108.644
  235   2HO*    U  22          2HO*        U  22  86.162  34.990-107.766
  236    H1*    U  22           H1*        U  22  84.591  35.182-105.779
  237    H3     U  22           H3         U  22  84.314  31.503-108.767
  238    H5     U  22           H5         U  22  80.475  32.404-107.280
  239    H6     U  22           H6         U  22  81.371  34.480-106.407
  240   1H5*    U  23          1H5*        U  23  87.391  36.265-107.711
  241   2H5*    U  23          2H5*        U  23  88.733  37.089-108.563
  242    H4*    U  23           H4*        U  23  89.513  35.190-107.151
  243    H3*    U  23           H3*        U  23  88.030  36.754-105.100
  244   1H2*    U  23          1H2*        U  23  89.635  36.644-103.512
  245   2HO*    U  23          2HO*        U  23  90.723  34.390-104.863
  246    H1*    U  23           H1*        U  23  91.894  36.391-105.094
  247    H3     U  23           H3         U  23  92.992  40.095-102.816
  248    H5     U  23           H5         U  23  89.444  41.208-104.804
  249    H6     U  23           H6         U  23  89.276  38.932-105.635
  250   1H5*    U  24          1H5*        U  24  86.895  31.576-103.734
  251   2H5*    U  24          2H5*        U  24  88.352  32.465-104.265
  252    H4*    U  24           H4*        U  24  88.691  30.903-102.306
  253    H3*    U  24           H3*        U  24  86.729  32.844-101.147
  254   1H2*    U  24          1H2*        U  24  87.802  32.928 -99.128
  255   2HO*    U  24          2HO*        U  24  89.318  31.328 -98.488
  256    H1*    U  24           H1*        U  24  90.397  32.666-100.028
  257    H3     U  24           H3         U  24  89.708  36.561 -97.698
  258    H5     U  24           H5         U  24  88.359  37.342-101.610
  259    H6     U  24           H6         U  24  88.711  34.983-102.133
  260   1H5*    U  25          1H5*        U  25  83.822  29.608 -98.281
  261   2H5*    U  25          2H5*        U  25  85.505  29.353 -98.719
  262    H4*    U  25           H4*        U  25  85.486  29.621 -96.373
  263    H3*    U  25           H3*        U  25  83.667  31.939 -96.920
  264   1H2*    U  25          1H2*        U  25  84.406  32.988 -94.969
  265   2HO*    U  25          2HO*        U  25  85.652  31.864 -93.415
  266    H1*    U  25           H1*        U  25  87.006  32.242 -95.200
  267    H3     U  25           H3         U  25  86.756  36.780 -95.352
  268    H5     U  25           H5         U  25  86.221  35.455 -99.315
  269    H6     U  25           H6         U  25  85.975  33.198 -98.462
  270   1H5*    C  26          1H5*        C  26  80.067  31.215 -92.525
  271   2H5*    C  26          2H5*        C  26  81.551  30.809 -91.725
  272    H4*    C  26           H4*        C  26  81.701  33.027 -91.535
  273    H3*    C  26           H3*        C  26  80.116  33.322 -94.084
  274   1H2*    C  26          1H2*        C  26  80.687  35.606 -93.936
  275   2HO*    C  26          2HO*        C  26  81.672  35.123 -91.303
  276    H1*    C  26           H1*        C  26  83.212  35.148 -92.807
  277   1H4     C  26          1H4         C  26  84.503  37.417 -98.546
  278   2H4     C  26          2H4         C  26  84.090  35.879 -99.281
  279    H5     C  26           H5         C  26  83.051  34.058 -98.054
  280    H6     C  26           H6         C  26  82.313  33.299 -95.839
  281   1H5*    C  27          1H5*        C  27  76.905  36.890 -92.414
  282   2H5*    C  27          2H5*        C  27  76.828  36.992 -90.639
  283    H4*    C  27           H4*        C  27  78.512  38.597 -90.548
  284    H3*    C  27           H3*        C  27  76.852  38.923 -93.033
  285   1H2*    C  27          1H2*        C  27  78.159  40.611 -93.857
  286   2HO*    C  27          2HO*        C  27  79.493  41.879 -92.523
  287    H1*    C  27           H1*        C  27  80.606  39.818 -92.723
  288   1H4     C  27          1H4         C  27  81.452  38.875 -98.881
  289   2H4     C  27          2H4         C  27  80.938  37.216 -98.667
  290    H5     C  27           H5         C  27  79.821  36.429 -96.675
  291    H6     C  27           H6         C  27  79.215  36.992 -94.365
  292   1H5*    G  28          1H5*        G  28  74.888  43.689 -91.635
  293   2H5*    G  28          2H5*        G  28  76.331  42.933 -90.976
  294    H4*    G  28           H4*        G  28  77.145  44.882 -91.980
  295    H3*    G  28           H3*        G  28  75.060  44.322 -94.062
  296   1H2*    G  28          1H2*        G  28  76.336  45.167 -95.783
  297   2HO*    G  28          2HO*        G  28  77.859  46.458 -93.744
  298    H1*    G  28           H1*        G  28  78.839  44.440 -94.886
  299    H8     G  28           H8         G  28  76.425  41.540 -94.715
  300    H1     G  28           H1         G  28  79.008  42.389-100.476
  301   1H2     G  28          1H2         G  28  79.928  45.522 -99.265
  302   2H2     G  28          2H2         G  28  79.935  44.398-100.606
  303   1H5*    A  29          1H5*        A  29  74.786  49.509 -94.935
  304   2H5*    A  29          2H5*        A  29  75.985  48.448 -94.211
  305    H4*    A  29           H4*        A  29  77.023  49.349 -96.133
  306    H3*    A  29           H3*        A  29  74.394  48.761 -97.490
  307   1H2*    A  29          1H2*        A  29  75.503  48.509 -99.526
  308   2HO*    A  29          2HO*        A  29  77.631  49.889 -98.233
  309    H1*    A  29           H1*        A  29  77.800  47.334 -98.501
  310    H8     A  29           H8         A  29  74.774  45.549 -97.171
  311   1H6     A  29          1H6         A  29  75.032  42.106-102.290
  312   2H6     A  29          2H6         A  29  74.397  42.205-100.661
  313    H2     A  29           H2         A  29  77.597  45.745-102.907
  314   1H5*    G  30          1H5*        G  30  73.599  52.232-100.784
  315   2H5*    G  30          2H5*        G  30  75.168  51.744-100.159
  316    H4*    G  30           H4*        G  30  75.052  50.865-102.352
  317    H3*    G  30           H3*        G  30  72.243  50.116-101.578
  318   1H2*    G  30          1H2*        G  30  72.295  48.231-102.939
  319   2HO*    G  30          2HO*        G  30  74.105  47.920-104.411
  320    H1*    G  30           H1*        G  30  74.852  47.449-102.441
  321    H8     G  30           H8         G  30  73.146  48.474 -99.204
  322    H1     G  30           H1         G  30  71.838  42.553-101.126
  323   1H2     G  30          1H2         G  30  73.050  43.631-104.204
  324   2H2     G  30          2H2         G  30  72.358  42.326-103.267
  325   1H5*    G  31          1H5*        G  31  70.518  51.399-106.514
  326   2H5*    G  31          2H5*        G  31  72.103  51.056-105.830
  327    H4*    G  31           H4*        G  31  71.609  49.276-107.336
  328    H3*    G  31           H3*        G  31  68.908  49.420-106.051
  329   1H2*    G  31          1H2*        G  31  68.585  47.119-106.159
  330   2HO*    G  31          2HO*        G  31  70.119  45.819-107.433
  331    H1*    G  31           H1*        G  31  71.149  46.310-105.616
  332    H8     G  31           H8         G  31  70.141  49.131-103.311
  333    H1     G  31           H1         G  31  68.273  43.403-101.234
  334   1H2     G  31          1H2         G  31  68.844  42.334-104.477
  335   2H2     G  31          2H2         G  31  68.320  41.937-102.861
  336   1H5*    G  32          1H5*        G  32  67.771  46.499-109.937
  337   2H5*    G  32          2H5*        G  32  69.026  47.121-108.869
  338    H4*    G  32           H4*        G  32  68.834  44.896-108.219
  339    H3*    G  32           H3*        G  32  65.883  45.267-108.655
  340   1H2*    G  32          1H2*        G  32  65.371  43.772-106.944
  341   2HO*    G  32          2HO*        G  32  67.752  42.635-107.808
  342    H1*    G  32           H1*        G  32  67.747  44.102-105.440
  343    H8     G  32           H8         G  32  65.917  47.346-105.539
  344    H1     G  32           H1         G  32  63.738  43.275-101.153
  345   1H2     G  32          1H2         G  32  65.358  40.851-103.060
  346   2H2     G  32          2H2         G  32  64.380  41.212-101.654
  347   1H5*    U  33          1H5*        U  33  67.528  42.536-112.657
  348   2H5*    U  33          2H5*        U  33  66.441  41.212-112.143
  349    H4*    U  33           H4*        U  33  66.222  41.464-114.524
  350    H3*    U  33           H3*        U  33  66.791  44.161-114.074
  351   1H2*    U  33          1H2*        U  33  64.727  44.957-113.586
  352   2HO*    U  33          2HO*        U  33  63.549  45.492-115.500
  353    H1*    U  33           H1*        U  33  63.196  42.965-115.188
  354    H3     U  33           H3         U  33  60.353  45.917-112.904
  355    H5     U  33           H5         U  33  61.377  42.776-110.285
  356    H6     U  33           H6         U  33  63.074  42.090-111.878
  357   1H5*    C  34          1H5*        C  34  68.976  41.675-116.380
  358   2H5*    C  34          2H5*        C  34  69.718  42.786-117.572
  359    H4*    C  34           H4*        C  34  71.522  41.679-116.442
  360    H3*    C  34           H3*        C  34  69.856  42.198-114.008
  361   1H2*    C  34          1H2*        C  34  71.611  42.768-112.676
  362   2HO*    C  34          2HO*        C  34  73.351  41.573-114.598
  363    H1*    C  34           H1*        C  34  73.230  44.050-114.480
  364   1H4     C  34          1H4         C  34  68.560  47.437-111.180
  365   2H4     C  34          2H4         C  34  70.102  48.101-110.689
  366    H5     C  34           H5         C  34  68.344  45.708-112.887
  367    H6     C  34           H6         C  34  69.548  44.173-114.313
  368   1H5*    A  35          1H5*        A  35  73.363  38.335-112.976
  369   2H5*    A  35          2H5*        A  35  72.752  39.731-113.907
  370    H4*    A  35           H4*        A  35  74.556  40.675-112.877
  371    H3*    A  35           H3*        A  35  74.491  38.465-111.138
  372   1H2*    A  35          1H2*        A  35  73.427  39.369-109.361
  373   2HO*    A  35          2HO*        A  35  75.847  40.889-109.232
  374    H1*    A  35           H1*        A  35  74.148  42.198-109.917
  375    H8     A  35           H8         A  35  70.795  41.386-110.848
  376   1H6     A  35          1H6         A  35  68.407  42.523-106.822
  377   2H6     A  35          2H6         A  35  68.895  42.698-105.156
  378    H2     A  35           H2         A  35  73.328  41.971-105.001
  379   1H5*    U  36          1H5*        U  36  79.715  40.682-110.843
  380   2H5*    U  36          2H5*        U  36  78.136  41.088-111.490
  381    H4*    U  36           H4*        U  36  78.824  43.040-110.423
  382    H3*    U  36           H3*        U  36  79.869  41.215-108.267
  383   1H2*    U  36          1H2*        U  36  79.583  42.872-106.690
  384   2HO*    U  36          2HO*        U  36  79.334  45.081-107.291
  385    H1*    U  36           H1*        U  36  77.346  44.089-107.839
  386    H3     U  36           H3         U  36  76.404  43.026-103.538
  387    H5     U  36           H5         U  36  75.567  39.601-105.838
  388    H6     U  36           H6         U  36  76.738  40.615-107.687
  389   1H5*    C  37          1H5*        C  37  84.100  44.325-108.025
  390   2H5*    C  37          2H5*        C  37  82.478  44.308-108.704
  391    H4*    C  37           H4*        C  37  82.437  45.769-106.827
  392    H3*    C  37           H3*        C  37  83.811  43.511-105.361
  393   1H2*    C  37          1H2*        C  37  82.795  44.205-103.396
  394   2HO*    C  37          2HO*        C  37  81.861  46.328-103.236
  395    H1*    C  37           H1*        C  37  80.465  45.234-104.576
  396   1H4     C  37          1H4         C  37  78.716  40.419-100.907
  397   2H4     C  37          2H4         C  37  78.792  39.363-102.299
  398    H5     C  37           H5         C  37  79.806  40.002-104.392
  399    H6     C  37           H6         C  37  80.768  41.858-105.663
  400   1H5*    G  38          1H5*        G  38  87.117  46.957-102.750
  401   2H5*    G  38          2H5*        G  38  85.671  47.402-103.645
  402    H4*    G  38           H4*        G  38  85.184  48.156-101.497
  403    H3*    G  38           H3*        G  38  86.739  45.743-100.619
  404   1H2*    G  38          1H2*        G  38  85.488  45.447 -98.711
  405   2HO*    G  38          2HO*        G  38  84.687  48.155 -99.103
  406    H1*    G  38           H1*        G  38  83.035  46.256 -99.673
  407    H8     G  38           H8         G  38  84.732  43.835-102.035
  408    H1     G  38           H1         G  38  81.631  41.007 -97.242
  409   1H2     G  38          1H2         G  38  81.681  44.157 -95.759
  410   2H2     G  38          2H2         G  38  81.217  42.475 -95.635
  411   1H5*    G  39          1H5*        G  39  88.699  47.473 -96.402
  412   2H5*    G  39          2H5*        G  39  87.353  47.974 -97.417
  413    H4*    G  39           H4*        G  39  86.267  46.805 -95.742
  414    H3*    G  39           H3*        G  39  88.755  45.152 -95.654
  415   1H2*    G  39          1H2*        G  39  87.570  43.166 -95.239
  416   2HO*    G  39          2HO*        G  39  85.630  43.235 -94.070
  417    H1*    G  39           H1*        G  39  85.013  44.029 -96.045
  418    H8     G  39           H8         G  39  87.087  43.641 -99.101
  419    H1     G  39           H1         G  39  84.543  38.224 -96.895
  420   1H2     G  39          1H2         G  39  83.981  38.476 -94.765
  421   2H2     G  39          2H2         G  39  84.229  39.978 -93.903
  422   1H5*    A  40          1H5*        A  40  90.371  44.996 -91.248
  423   2H5*    A  40          2H5*        A  40  89.588  45.880 -89.939
  424    H4*    A  40           H4*        A  40  88.983  43.916 -89.004
  425    H3*    A  40           H3*        A  40  90.241  42.768 -91.524
  426   1H2*    A  40          1H2*        A  40  89.475  40.627 -90.857
  427   2HO*    A  40          2HO*        A  40  88.271  40.390 -88.905
  428    H1*    A  40           H1*        A  40  86.957  41.430 -90.565
  429    H8     A  40           H8         A  40  88.587  43.568 -93.179
  430   1H6     A  40          1H6         A  40  87.499  38.932 -97.123
  431   2H6     A  40          2H6         A  40  87.846  40.642 -96.986
  432    H2     A  40           H2         A  40  86.937  37.360 -92.945
  433   1H5*    A  41          1H5*        A  41  91.608  39.915 -87.520
  434   2H5*    A  41          2H5*        A  41  90.391  40.998 -88.261
  435    H4*    A  41           H4*        A  41  89.266  38.974 -87.654
  436    H3*    A  41           H3*        A  41  91.672  37.689 -88.879
  437   1H2*    A  41          1H2*        A  41  90.473  35.969 -89.811
  438   2HO*    A  41          2HO*        A  41  88.374  36.580 -87.979
  439    H1*    A  41           H1*        A  41  88.052  37.307 -90.210
  440    H8     A  41           H8         A  41  90.712  39.223 -91.943
  441   1H6     A  41          1H6         A  41  91.229  36.555 -95.942
  442   2H6     A  41          2H6         A  41  90.686  34.953 -96.381
  443    H2     A  41           H2         A  41  88.364  33.364 -92.875
  444   1H5*    C  42          1H5*        C  42  92.070  33.589 -86.504
  445   2H5*    C  42          2H5*        C  42  90.682  34.025 -87.543
  446    H4*    C  42           H4*        C  42  91.906  31.909 -88.188
  447    H3*    C  42           H3*        C  42  94.093  33.918 -88.542
  448   1H2*    C  42          1H2*        C  42  94.743  33.079 -90.562
  449   2HO*    C  42          2HO*        C  42  94.339  30.917 -91.163
  450    H1*    C  42           H1*        C  42  92.361  31.967 -91.401
  451   1H4     C  42          1H4         C  42  93.413  36.675 -95.492
  452   2H4     C  42          2H4         C  42  93.607  37.839 -94.200
  453    H5     C  42           H5         C  42  93.454  37.261 -91.872
  454    H6     C  42           H6         C  42  93.065  35.450 -90.267
  455   1H5*    C  43          1H5*        C  43  96.754  29.514 -88.473
  456   2H5*    C  43          2H5*        C  43  95.215  30.152 -89.127
  457    H4*    C  43           H4*        C  43  96.600  28.955 -90.829
  458    H3*    C  43           H3*        C  43  98.558  31.034 -89.944
  459   1H2*    C  43          1H2*        C  43  99.265  31.548 -92.052
  460   2HO*    C  43          2HO*        C  43  98.078  29.108 -92.941
  461    H1*    C  43           H1*        C  43  96.894  31.204 -93.436
  462   1H4     C  43          1H4         C  43  97.864  37.449 -92.618
  463   2H4     C  43          2H4         C  43  97.385  37.329 -90.939
  464    H5     C  43           H5         C  43  96.854  35.245 -89.862
  465    H6     C  43           H6         C  43  96.612  32.806 -90.181
  466   1H5*    A  44          1H5*        A  44 102.300  28.128 -91.410
  467   2H5*    A  44          2H5*        A  44 100.963  28.944 -92.277
  468    H4*    A  44           H4*        A  44 103.102  29.389 -93.377
  469    H3*    A  44           H3*        A  44 103.985  29.798 -90.624
  470   1H2*    A  44          1H2*        A  44 104.311  31.993 -90.667
  471   2HO*    A  44          2HO*        A  44 105.860  32.825 -92.139
  472    H1*    A  44           H1*        A  44 103.793  32.463 -93.538
  473    H8     A  44           H8         A  44 100.984  32.698 -91.059
  474   1H6     A  44          1H6         A  44 101.127  37.436 -90.113
  475   2H6     A  44          2H6         A  44 102.270  38.699 -90.512
  476    H2     A  44           H2         A  44 105.568  36.773 -92.882
  477    H3T    A  44           H3T        A  44 105.332  29.683 -93.138
   
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  62.295  34.437-108.259
    2   2H5*    G   1          2H5*        G   1  62.805  36.144-108.389
    3    H4*    G   1           H4*        G   1  63.219  34.925-106.165
    4    H3*    G   1           H3*        G   1  60.401  34.487-106.336
    5   1H2*    G   1          1H2*        G   1  59.762  36.541-105.483
    6   2HO*    G   1          2HO*        G   1  60.796  35.135-103.214
    7    H1*    G   1           H1*        G   1  62.310  36.707-103.885
    8    H8     G   1           H8         G   1  61.766  39.272-106.396
    9    H1     G   1           H1         G   1  59.522  40.993-100.698
   10   1H2     G   1          1H2         G   1  59.614  37.584-100.018
   11   2H2     G   1          2H2         G   1  59.226  39.192 -99.451
   12    H5T    G   1           H5T        G   1  60.185  35.160-107.925
   13   1H5*    G   2          1H5*        G   2  58.752  31.401-103.906
   14   2H5*    G   2          2H5*        G   2  59.597  30.400-102.738
   15    H4*    G   2           H4*        G   2  58.085  31.091-101.224
   16    H3*    G   2           H3*        G   2  57.336  33.221-103.257
   17   1H2*    G   2          1H2*        G   2  55.990  34.197-101.591
   18   2HO*    G   2          2HO*        G   2  56.579  31.969 -99.905
   19    H1*    G   2           H1*        G   2  57.794  33.886 -99.567
   20    H8     G   2           H8         G   2  59.381  35.132-102.769
   21    H1     G   2           H1         G   2  56.127  39.664 -99.733
   22   1H2     G   2          1H2         G   2  54.938  37.113 -97.717
   23   2H2     G   2          2H2         G   2  54.951  38.829 -98.086
   24   1H5*    G   3          1H5*        G   3  52.542  30.679-102.508
   25   2H5*    G   3          2H5*        G   3  54.207  30.866-101.953
   26    H4*    G   3           H4*        G   3  52.737  32.093-100.455
   27    H3*    G   3           H3*        G   3  51.642  33.096-103.043
   28   1H2*    G   3          1H2*        G   3  51.462  35.266-102.374
   29   2HO*    G   3          2HO*        G   3  51.468  35.786-100.063
   30    H1*    G   3           H1*        G   3  53.489  35.348-100.478
   31    H8     G   3           H8         G   3  54.741  34.175-103.812
   32    H1     G   3           H1         G   3  54.391  40.514-103.281
   33   1H2     G   3          1H2         G   3  52.272  39.859-100.599
   34   2H2     G   3          2H2         G   3  53.049  41.061-101.603
   35   1H5*    A   4          1H5*        A   4  46.828  33.684-100.211
   36   2H5*    A   4          2H5*        A   4  48.418  33.361 -99.533
   37    H4*    A   4           H4*        A   4  47.691  35.252 -98.349
   38    H3*    A   4           H3*        A   4  46.460  36.046-100.966
   39   1H2*    A   4          1H2*        A   4  46.826  38.297-100.655
   40   2HO*    A   4          2HO*        A   4  47.083  37.599 -97.912
   41    H1*    A   4           H1*        A   4  49.246  38.203 -99.397
   42    H8     A   4           H8         A   4  49.181  35.767-102.241
   43   1H6     A   4          1H6         A   4  51.208  40.380-105.768
   44   2H6     A   4          2H6         A   4  51.041  38.645-105.635
   45    H2     A   4           H2         A   4  49.698  42.128-101.912
   46   1H5*    G   5          1H5*        G   5  42.724  38.839 -98.934
   47   2H5*    G   5          2H5*        G   5  44.292  38.294 -98.354
   48    H4*    G   5           H4*        G   5  44.587  40.589 -98.776
   49    H3*    G   5           H3*        G   5  42.848  40.048-101.149
   50   1H2*    G   5          1H2*        G   5  43.943  41.557-102.498
   51   2HO*    G   5          2HO*        G   5  44.542  42.797-100.041
   52    H1*    G   5           H1*        G   5  46.488  41.421-101.310
   53    H8     G   5           H8         G   5  45.392  38.006-102.353
   54    H1     G   5           H1         G   5  47.938  41.377-107.125
   55   1H2     G   5          1H2         G   5  47.961  43.539-106.631
   56   2H2     G   5          2H2         G   5  47.351  44.151-105.106
   57   1H5*    C   6          1H5*        C   6  40.082  44.156-100.388
   58   2H5*    C   6          2H5*        C   6  41.731  44.164-101.085
   59    H4*    C   6           H4*        C   6  40.170  45.525-102.431
   60    H3*    C   6           H3*        C   6  38.595  42.983-102.341
   61   1H2*    C   6          1H2*        C   6  38.019  43.024-104.553
   62   2HO*    C   6          2HO*        C   6  38.117  44.955-105.794
   63    H1*    C   6           H1*        C   6  40.277  44.212-105.616
   64   1H4     C   6          1H4         C   6  40.764  38.035-106.997
   65   2H4     C   6          2H4         C   6  40.987  37.629-105.311
   66    H5     C   6           H5         C   6  40.898  39.256-103.539
   67    H6     C   6           H6         C   6  40.573  41.626-102.998
   68   1H5*    U   7          1H5*        U   7  34.240  45.056-103.371
   69   2H5*    U   7          2H5*        U   7  35.926  45.196-103.951
   70    H4*    U   7           H4*        U   7  34.590  44.299-105.743
   71    H3*    U   7           H3*        U   7  33.522  42.538-103.574
   72   1H2*    U   7          1H2*        U   7  33.468  40.655-104.878
   73   2HO*    U   7          2HO*        U   7  33.526  42.362-107.159
   74    H1*    U   7           H1*        U   7  35.553  41.289-106.663
   75    H3     U   7           H3         U   7  36.968  37.318-105.156
   76    H5     U   7           H5         U   7  36.972  39.701-101.682
   77    H6     U   7           H6         U   7  35.974  41.484-102.977
   78   1H5*    C   8          1H5*        C   8  30.427  40.705-103.900
   79   2H5*    C   8          2H5*        C   8  28.713  41.164-104.139
   80    H4*    C   8           H4*        C   8  29.167  39.125-105.367
   81    H3*    C   8           H3*        C   8  31.687  40.391-105.869
   82   1H2*    C   8          1H2*        C   8  31.455  41.109-107.956
   83   2HO*    C   8          2HO*        C   8  32.200  38.995-108.484
   84    H1*    C   8           H1*        C   8  28.945  39.826-108.713
   85   1H4     C   8          1H4         C   8  28.643  45.477-111.510
   86   2H4     C   8          2H4         C   8  29.329  46.258-110.103
   87    H5     C   8           H5         C   8  29.976  45.046-108.117
   88    H6     C   8           H6         C   8  30.141  42.872-107.056
   89   1H5*    A   9          1H5*        A   9  32.748  35.665-108.222
   90   2H5*    A   9          2H5*        A   9  31.205  36.505-108.548
   91    H4*    A   9           H4*        A   9  32.233  35.440-110.566
   92    H3*    A   9           H3*        A   9  34.456  37.291-109.793
   93   1H2*    A   9          1H2*        A   9  34.853  37.970-111.952
   94   2HO*    A   9          2HO*        A   9  34.126  36.756-113.756
   95    H1*    A   9           H1*        A   9  32.276  37.868-112.948
   96    H8     A   9           H8         A   9  31.595  39.891-110.114
   97   1H6     A   9          1H6         A   9  35.100  44.465-112.288
   98   2H6     A   9          2H6         A   9  33.863  44.035-111.128
   99    H2     A   9           H2         A   9  36.078  40.735-114.596
  100   1H5*    A  10          1H5*        A  10  38.234  33.907-111.524
  101   2H5*    A  10          2H5*        A  10  36.550  34.142-112.080
  102    H4*    A  10           H4*        A  10  37.822  34.800-113.930
  103    H3*    A  10           H3*        A  10  39.741  35.862-111.890
  104   1H2*    A  10          1H2*        A  10  40.341  37.672-113.168
  105   2HO*    A  10          2HO*        A  10  40.751  36.408-115.066
  106    H1*    A  10           H1*        A  10  37.949  38.183-114.429
  107    H8     A  10           H8         A  10  37.231  37.840-110.783
  108   1H6     A  10          1H6         A  10  39.625  43.449-109.965
  109   2H6     A  10          2H6         A  10  38.655  42.185-109.243
  110    H2     A  10           H2         A  10  40.722  42.036-114.092
  111   1H5*    C  11          1H5*        C  11  43.926  35.205-114.888
  112   2H5*    C  11          2H5*        C  11  42.233  35.528-115.364
  113    H4*    C  11           H4*        C  11  43.560  37.409-116.065
  114    H3*    C  11           H3*        C  11  44.744  37.139-113.327
  115   1H2*    C  11          1H2*        C  11  44.857  39.395-112.957
  116   2HO*    C  11          2HO*        C  11  44.530  39.803-115.758
  117    H1*    C  11           H1*        C  11  42.632  40.223-114.359
  118   1H4     C  11          1H4         C  11  41.193  38.757-108.055
  119   2H4     C  11          2H4         C  11  41.154  40.502-108.185
  120    H5     C  11           H5         C  11  41.794  37.311-109.880
  121    H6     C  11           H6         C  11  42.525  37.221-112.215
  122   1H5*    U  12          1H5*        U  12  48.836  39.874-115.640
  123   2H5*    U  12          2H5*        U  12  47.133  39.824-116.180
  124    H4*    U  12           H4*        U  12  47.858  42.135-115.974
  125    H3*    U  12           H3*        U  12  48.807  41.192-113.296
  126   1H2*    U  12          1H2*        U  12  48.138  43.091-112.202
  127   2HO*    U  12          2HO*        U  12  48.005  44.394-114.733
  128    H1*    U  12           H1*        U  12  45.916  43.754-113.761
  129    H3     U  12           H3         U  12  43.611  43.038-110.007
  130    H5     U  12           H5         U  12  45.987  39.567-110.293
  131    H6     U  12           H6         U  12  46.970  40.486-112.312
  132   1H5*    C  13          1H5*        C  13  52.561  44.962-113.521
  133   2H5*    C  13          2H5*        C  13  50.987  44.688-114.260
  134    H4*    C  13           H4*        C  13  50.822  46.619-112.828
  135    H3*    C  13           H3*        C  13  52.268  44.832-110.907
  136   1H2*    C  13          1H2*        C  13  51.068  45.605-109.069
  137   2HO*    C  13          2HO*        C  13  49.704  47.458-109.236
  138    H1*    C  13           H1*        C  13  48.638  45.722-110.144
  139   1H4     C  13          1H4         C  13  48.456  39.818-107.935
  140   2H4     C  13          2H4         C  13  49.192  39.251-109.416
  141    H5     C  13           H5         C  13  50.184  40.724-111.041
  142    H6     C  13           H6         C  13  50.548  43.063-111.669
  143   1H5*    U  14          1H5*        U  14  54.452  48.557-108.130
  144   2H5*    U  14          2H5*        U  14  52.992  48.673-109.105
  145    H4*    U  14           H4*        U  14  52.178  48.907-106.939
  146    H3*    U  14           H3*        U  14  54.311  46.919-106.202
  147   1H2*    U  14          1H2*        U  14  53.024  46.048-104.485
  148   2HO*    U  14          2HO*        U  14  51.137  47.184-103.727
  149    H1*    U  14           H1*        U  14  50.541  46.293-105.651
  150    H3     U  14           H3         U  14  51.143  41.880-104.880
  151    H5     U  14           H5         U  14  53.145  42.649-108.505
  152    H6     U  14           H6         U  14  52.939  45.012-108.040
  153   1H5*    C  15          1H5*        C  15  54.331  49.464-101.584
  154   2H5*    C  15          2H5*        C  15  53.388  49.327-103.064
  155    H4*    C  15           H4*        C  15  52.180  48.204-101.325
  156    H3*    C  15           H3*        C  15  54.866  46.995-100.739
  157   1H2*    C  15          1H2*        C  15  53.941  44.965-100.164
  158   2HO*    C  15          2HO*        C  15  51.609  44.810 -99.785
  159    H1*    C  15           H1*        C  15  51.809  44.957-101.884
  160   1H4     C  15          1H4         C  15  55.716  40.744-104.467
  161   2H4     C  15          2H4         C  15  56.512  42.034-105.343
  162    H5     C  15           H5         C  15  56.197  44.371-104.811
  163    H6     C  15           H6         C  15  54.813  45.973-103.600
  164   1H5*    C  16          1H5*        C  16  53.991  47.052 -95.526
  165   2H5*    C  16          2H5*        C  16  52.882  47.006 -96.889
  166    H4*    C  16           H4*        C  16  52.610  44.999 -95.570
  167    H3*    C  16           H3*        C  16  55.588  44.740 -95.965
  168   1H2*    C  16          1H2*        C  16  55.357  42.391 -95.858
  169   2HO*    C  16          2HO*        C  16  52.627  42.845 -95.153
  170    H1*    C  16           H1*        C  16  53.144  42.266 -97.422
  171   1H4     C  16          1H4         C  16  58.017  42.906-101.770
  172   2H4     C  16          2H4         C  16  57.859  41.186-101.499
  173    H5     C  16           H5         C  16  56.835  44.556-100.495
  174    H6     C  16           H6         C  16  55.242  44.924 -98.654
  175   1H5*    C  17          1H5*        C  17  56.964  42.240 -91.944
  176   2H5*    C  17          2H5*        C  17  55.380  42.542 -92.645
  177    H4*    C  17           H4*        C  17  55.886  40.387 -93.381
  178    H3*    C  17           H3*        C  17  58.694  41.431 -93.670
  179   1H2*    C  17          1H2*        C  17  59.131  39.980 -95.408
  180   2HO*    C  17          2HO*        C  17  57.042  38.459 -94.252
  181    H1*    C  17           H1*        C  17  56.524  39.832 -96.437
  182   1H4     C  17          1H4         C  17  59.368  44.298-100.240
  183   2H4     C  17          2H4         C  17  59.744  42.757-100.987
  184    H5     C  17           H5         C  17  58.446  44.501 -98.009
  185    H6     C  17           H6         C  17  57.512  43.268 -96.111
  186   1H5*    C  18          1H5*        C  18  61.169  37.299 -92.902
  187   2H5*    C  18          2H5*        C  18  59.504  37.716 -93.290
  188    H4*    C  18           H4*        C  18  60.479  37.173 -95.360
  189    H3*    C  18           H3*        C  18  62.865  38.668 -94.307
  190   1H2*    C  18          1H2*        C  18  63.424  39.465 -96.403
  191   2HO*    C  18          2HO*        C  18  62.021  37.174 -97.280
  192    H1*    C  18           H1*        C  18  60.844  39.527 -97.512
  193   1H4     C  18          1H4         C  18  62.333  45.624 -97.167
  194   2H4     C  18          2H4         C  18  61.632  45.685 -95.565
  195    H5     C  18           H5         C  18  61.054  43.716 -94.302
  196    H6     C  18           H6         C  18  60.825  41.271 -94.386
  197   1H5*    C  19          1H5*        C  19  65.090  34.805 -97.469
  198   2H5*    C  19          2H5*        C  19  63.562  35.612 -97.133
  199    H4*    C  19           H4*        C  19  64.046  36.038 -99.420
  200    H3*    C  19           H3*        C  19  66.821  36.563 -98.400
  201   1H2*    C  19          1H2*        C  19  67.191  38.222 -99.947
  202   2HO*    C  19          2HO*        C  19  65.647  38.403-101.791
  203    H1*    C  19           H1*        C  19  64.580  39.116-100.218
  204   1H4     C  19          1H4         C  19  67.481  43.949 -97.410
  205   2H4     C  19          2H4         C  19  67.157  43.228 -95.845
  206    H5     C  19           H5         C  19  66.346  40.962 -95.571
  207    H6     C  19           H6         C  19  65.528  38.966 -96.743
  208   1H5*    C  20          1H5*        C  20  69.182  34.269-102.649
  209   2H5*    C  20          2H5*        C  20  67.545  34.904-102.612
  210    H4*    C  20           H4*        C  20  68.659  36.091-104.340
  211    H3*    C  20           H3*        C  20  70.907  36.130-102.377
  212   1H2*    C  20          1H2*        C  20  71.620  38.209-102.931
  213   2HO*    C  20          2HO*        C  20  70.139  37.877-105.348
  214    H1*    C  20           H1*        C  20  69.226  39.374-103.562
  215   1H4     C  20          1H4         C  20  70.472  41.794 -97.901
  216   2H4     C  20          2H4         C  20  69.743  40.389 -97.149
  217    H5     C  20           H5         C  20  69.187  38.388 -98.383
  218    H6     C  20           H6         C  20  68.964  37.404-100.619
  219   1H5*    C  21          1H5*        C  21  74.286  35.763-105.676
  220   2H5*    C  21          2H5*        C  21  73.155  37.005-105.063
  221    H4*    C  21           H4*        C  21  75.477  37.824-105.132
  222    H3*    C  21           H3*        C  21  75.930  35.366-103.490
  223   1H2*    C  21          1H2*        C  21  77.370  36.423-102.041
  224   2HO*    C  21          2HO*        C  21  78.703  37.203-103.760
  225    H1*    C  21           H1*        C  21  76.342  39.044-102.281
  226   1H4     C  21          1H4         C  21  75.582  36.710 -96.359
  227   2H4     C  21          2H4         C  21  73.865  36.839 -96.663
  228    H5     C  21           H5         C  21  72.950  37.342 -98.821
  229    H6     C  21           H6         C  21  73.448  37.852-101.170
  230   1H5*    U  22          1H5*        U  22  79.766  37.061-106.474
  231   2H5*    U  22          2H5*        U  22  80.113  38.422-105.363
  232    H4*    U  22           H4*        U  22  82.175  37.244-104.624
  233    H3*    U  22           H3*        U  22  81.724  38.612-107.050
  234   1H2*    U  22          1H2*        U  22  81.976  36.910-108.528
  235   2HO*    U  22          2HO*        U  22  84.187  36.516-109.028
  236    H1*    U  22           H1*        U  22  83.752  35.247-106.816
  237    H3     U  22           H3         U  22  83.212  32.571-110.450
  238    H5     U  22           H5         U  22  79.367  32.851-108.749
  239    H6     U  22           H6         U  22  80.229  34.543-107.241
  240   1H5*    U  23          1H5*        U  23  85.251  37.469-107.953
  241   2H5*    U  23          2H5*        U  23  86.164  38.580-109.019
  242    H4*    U  23           H4*        U  23  87.547  36.660-108.283
  243    H3*    U  23           H3*        U  23  86.627  37.625-105.620
  244   1H2*    U  23          1H2*        U  23  88.673  37.506-104.623
  245   2HO*    U  23          2HO*        U  23  90.311  36.104-105.401
  246    H1*    U  23           H1*        U  23  90.311  37.844-106.834
  247    H3     U  23           H3         U  23  91.727  41.119-104.087
  248    H5     U  23           H5         U  23  87.780  42.255-105.037
  249    H6     U  23           H6         U  23  87.531  40.150-106.223
  250   1H5*    U  24          1H5*        U  24  86.589  32.226-105.006
  251   2H5*    U  24          2H5*        U  24  87.735  33.451-105.631
  252    H4*    U  24           H4*        U  24  88.732  31.722-104.054
  253    H3*    U  24           H3*        U  24  86.709  33.049-102.308
  254   1H2*    U  24          1H2*        U  24  88.086  33.243-100.494
  255   2HO*    U  24          2HO*        U  24  89.890  31.448-101.787
  256    H1*    U  24           H1*        U  24  90.393  33.884-101.769
  257    H3     U  24           H3         U  24  88.574  37.330 -99.282
  258    H5     U  24           H5         U  24  86.823  37.607-103.106
  259    H6     U  24           H6         U  24  87.908  35.501-103.685
  260   1H5*    U  25          1H5*        U  25  84.901  29.021 -99.663
  261   2H5*    U  25          2H5*        U  25  86.568  29.291-100.144
  262    H4*    U  25           H4*        U  25  86.421  29.385 -97.745
  263    H3*    U  25           H3*        U  25  84.289  31.474 -98.231
  264   1H2*    U  25          1H2*        U  25  84.890  32.427 -96.160
  265   2HO*    U  25          2HO*        U  25  86.541  30.138 -95.758
  266    H1*    U  25           H1*        U  25  87.560  32.162 -96.506
  267    H3     U  25           H3         U  25  86.541  36.579 -96.445
  268    H5     U  25           H5         U  25  85.959  35.364-100.436
  269    H6     U  25           H6         U  25  86.235  33.069 -99.713
  270   1H5*    C  26          1H5*        C  26  80.930  30.651 -94.515
  271   2H5*    C  26          2H5*        C  26  82.588  30.068 -94.563
  272    H4*    C  26           H4*        C  26  82.663  31.746 -92.937
  273    H3*    C  26           H3*        C  26  80.658  33.086 -94.709
  274   1H2*    C  26          1H2*        C  26  81.403  35.205 -94.237
  275   2HO*    C  26          2HO*        C  26  82.916  35.471 -92.371
  276    H1*    C  26           H1*        C  26  84.077  34.665 -93.824
  277   1H4     C  26          1H4         C  26  84.224  37.550 -99.429
  278   2H4     C  26          2H4         C  26  83.902  36.020-100.218
  279    H5     C  26           H5         C  26  83.169  34.046 -99.026
  280    H6     C  26           H6         C  26  82.853  33.045 -96.821
  281   1H5*    C  27          1H5*        C  27  77.794  35.835 -92.204
  282   2H5*    C  27          2H5*        C  27  77.967  35.851 -90.434
  283    H4*    C  27           H4*        C  27  79.531  37.581 -90.494
  284    H3*    C  27           H3*        C  27  77.485  37.881 -92.675
  285   1H2*    C  27          1H2*        C  27  78.511  39.707 -93.590
  286   2HO*    C  27          2HO*        C  27  79.312  40.118 -90.960
  287    H1*    C  27           H1*        C  27  81.159  39.085 -92.886
  288   1H4     C  27          1H4         C  27  81.151  38.458 -99.141
  289   2H4     C  27          2H4         C  27  80.785  36.757 -98.940
  290    H5     C  27           H5         C  27  80.032  35.809 -96.850
  291    H6     C  27           H6         C  27  79.725  36.235 -94.455
  292   1H5*    G  28          1H5*        G  28  75.317  42.368 -90.665
  293   2H5*    G  28          2H5*        G  28  76.897  41.729 -90.231
  294    H4*    G  28           H4*        G  28  77.395  43.815 -91.165
  295    H3*    G  28           H3*        G  28  75.120  43.187 -93.015
  296   1H2*    G  28          1H2*        G  28  76.076  44.256 -94.814
  297   2HO*    G  28          2HO*        G  28  77.704  45.571 -92.879
  298    H1*    G  28           H1*        G  28  78.726  43.709 -94.318
  299    H8     G  28           H8         G  28  76.607  40.608 -93.964
  300    H1     G  28           H1         G  28  78.296  41.861 -99.977
  301   1H2     G  28          1H2         G  28  79.100  45.029 -98.776
  302   2H2     G  28          2H2         G  28  79.018  43.948-100.150
  303   1H5*    A  29          1H5*        A  29  74.544  48.477 -93.242
  304   2H5*    A  29          2H5*        A  29  75.778  47.325 -92.750
  305    H4*    A  29           H4*        A  29  76.672  48.480 -94.618
  306    H3*    A  29           H3*        A  29  73.940  48.043 -95.813
  307   1H2*    A  29          1H2*        A  29  74.850  47.966 -97.951
  308   2HO*    A  29          2HO*        A  29  77.084  48.631 -98.283
  309    H1*    A  29           H1*        A  29  77.236  46.714 -97.278
  310    H8     A  29           H8         A  29  74.364  44.796 -95.807
  311   1H6     A  29          1H6         A  29  74.132  41.778-101.178
  312   2H6     A  29          2H6         A  29  73.678  41.736 -99.489
  313    H2     A  29           H2         A  29  76.573  45.507-101.769
  314   1H5*    G  30          1H5*        G  30  73.228  51.954 -98.649
  315   2H5*    G  30          2H5*        G  30  74.739  51.213 -98.140
  316    H4*    G  30           H4*        G  30  74.420  50.675-100.447
  317    H3*    G  30           H3*        G  30  71.633  49.992 -99.542
  318   1H2*    G  30          1H2*        G  30  71.465  48.296-101.140
  319   2HO*    G  30          2HO*        G  30  73.290  48.059-102.686
  320    H1*    G  30           H1*        G  30  73.969  47.276-100.874
  321    H8     G  30           H8         G  30  72.528  48.162 -97.460
  322    H1     G  30           H1         G  30  70.761  42.471 -99.696
  323   1H2     G  30          1H2         G  30  71.890  43.686-102.757
  324   2H2     G  30          2H2         G  30  71.164  42.362-101.873
  325   1H5*    G  31          1H5*        G  31  69.436  51.914-103.990
  326   2H5*    G  31          2H5*        G  31  71.067  51.368-103.617
  327    H4*    G  31           H4*        G  31  70.159  49.803-105.171
  328    H3*    G  31           H3*        G  31  67.743  50.033-103.418
  329   1H2*    G  31          1H2*        G  31  67.171  47.792-103.688
  330   2HO*    G  31          2HO*        G  31  68.432  46.509-105.298
  331    H1*    G  31           H1*        G  31  69.696  46.727-103.656
  332    H8     G  31           H8         G  31  69.341  49.364-100.965
  333    H1     G  31           H1         G  31  67.233  43.622 -99.173
  334   1H2     G  31          1H2         G  31  67.197  42.880-102.552
  335   2H2     G  31          2H2         G  31  66.893  42.348-100.917
  336   1H5*    G  32          1H5*        G  32  65.687  48.025-107.668
  337   2H5*    G  32          2H5*        G  32  67.130  48.500-106.782
  338    H4*    G  32           H4*        G  32  67.000  46.268-106.282
  339    H3*    G  32           H3*        G  32  64.013  46.650-106.303
  340   1H2*    G  32          1H2*        G  32  63.728  44.901-104.797
  341   2HO*    G  32          2HO*        G  32  65.238  43.238-104.628
  342    H1*    G  32           H1*        G  32  66.297  45.083-103.597
  343    H8     G  32           H8         G  32  64.581  48.264-102.897
  344    H1     G  32           H1         G  32  62.818  43.577 -98.971
  345   1H2     G  32          1H2         G  32  63.988  41.447-101.459
  346   2H2     G  32          2H2         G  32  63.243  41.610 -99.884
  347   1H5*    U  33          1H5*        U  33  61.719  44.662-109.911
  348   2H5*    U  33          2H5*        U  33  62.299  46.347-110.070
  349    H4*    U  33           H4*        U  33  61.506  45.050-112.190
  350    H3*    U  33           H3*        U  33  63.590  43.338-111.419
  351   1H2*    U  33          1H2*        U  33  65.391  44.580-112.051
  352   2HO*    U  33          2HO*        U  33  64.396  43.868-114.633
  353    H1*    U  33           H1*        U  33  64.031  46.044-114.258
  354    H3     U  33           H3         U  33  68.223  47.875-114.181
  355    H5     U  33           H5         U  33  66.381  49.147-110.610
  356    H6     U  33           H6         U  33  64.552  47.627-111.088
  357   1H5*    C  34          1H5*        C  34  64.850  40.875-111.716
  358   2H5*    C  34          2H5*        C  34  64.568  39.412-112.702
  359    H4*    C  34           H4*        C  34  66.557  39.818-114.007
  360    H3*    C  34           H3*        C  34  66.779  40.045-111.038
  361   1H2*    C  34          1H2*        C  34  68.925  40.845-111.017
  362   2HO*    C  34          2HO*        C  34  70.309  40.640-112.835
  363    H1*    C  34           H1*        C  34  68.869  42.437-113.248
  364   1H4     C  34          1H4         C  34  66.538  45.121-107.618
  365   2H4     C  34          2H4         C  34  67.809  46.178-108.190
  366    H5     C  34           H5         C  34  65.837  43.111-108.836
  367    H6     C  34           H6         C  34  66.246  41.727-110.750
  368   1H5*    A  35          1H5*        A  35  70.798  37.491-111.107
  369   2H5*    A  35          2H5*        A  35  69.897  38.757-111.976
  370    H4*    A  35           H4*        A  35  71.751  39.899-111.294
  371    H3*    A  35           H3*        A  35  72.076  37.833-109.397
  372   1H2*    A  35          1H2*        A  35  71.324  38.916-107.531
  373   2HO*    A  35          2HO*        A  35  72.939  40.285-106.630
  374    H1*    A  35           H1*        A  35  71.862  41.642-108.615
  375    H8     A  35           H8         A  35  68.463  40.973-108.662
  376   1H6     A  35          1H6         A  35  67.031  42.899-104.488
  377   2H6     A  35          2H6         A  35  67.866  43.212-102.986
  378    H2     A  35           H2         A  35  72.118  41.939-103.537
  379   1H5*    U  36          1H5*        U  36  77.229  40.036-110.264
  380   2H5*    U  36          2H5*        U  36  75.570  40.495-110.602
  381    H4*    U  36           H4*        U  36  76.587  42.457-109.826
  382    H3*    U  36           H3*        U  36  77.902  40.663-107.805
  383   1H2*    U  36          1H2*        U  36  77.967  42.359-106.247
  384   2HO*    U  36          2HO*        U  36  77.796  44.050-108.512
  385    H1*    U  36           H1*        U  36  75.644  43.690-107.015
  386    H3     U  36           H3         U  36  75.320  42.668-102.603
  387    H5     U  36           H5         U  36  74.045  39.254-104.711
  388    H6     U  36           H6         U  36  74.924  40.232-106.729
  389   1H5*    C  37          1H5*        C  37  81.942  43.922-108.156
  390   2H5*    C  37          2H5*        C  37  80.241  43.781-108.584
  391    H4*    C  37           H4*        C  37  80.382  45.285-106.743
  392    H3*    C  37           H3*        C  37  82.128  43.163-105.491
  393   1H2*    C  37          1H2*        C  37  81.370  43.776-103.394
  394   2HO*    C  37          2HO*        C  37  80.321  45.818-103.060
  395    H1*    C  37           H1*        C  37  78.811  44.610-104.174
  396   1H4     C  37          1H4         C  37  78.068  39.585-100.435
  397   2H4     C  37          2H4         C  37  78.025  38.565-101.855
  398    H5     C  37           H5         C  37  78.656  39.337-104.051
  399    H6     C  37           H6         C  37  79.256  41.299-105.387
  400   1H5*    G  38          1H5*        G  38  85.520  46.962-103.531
  401   2H5*    G  38          2H5*        G  38  83.900  47.223-104.165
  402    H4*    G  38           H4*        G  38  83.780  48.032-101.967
  403    H3*    G  38           H3*        G  38  85.582  45.717-101.355
  404   1H2*    G  38          1H2*        G  38  84.685  45.360 -99.265
  405   2HO*    G  38          2HO*        G  38  83.666  48.010 -99.519
  406    H1*    G  38           H1*        G  38  82.059  45.968 -99.805
  407    H8     G  38           H8         G  38  83.565  43.765-102.490
  408    H1     G  38           H1         G  38  81.410  40.542 -97.435
  409   1H2     G  38          1H2         G  38  81.448  43.630 -95.830
  410   2H2     G  38          2H2         G  38  81.131  41.913 -95.721
  411   1H5*    G  39          1H5*        G  39  88.233  47.751 -97.676
  412   2H5*    G  39          2H5*        G  39  86.645  48.025 -98.380
  413    H4*    G  39           H4*        G  39  86.292  46.822 -96.371
  414    H3*    G  39           H3*        G  39  88.582  45.115 -97.317
  415   1H2*    G  39          1H2*        G  39  87.603  43.189 -96.448
  416   2HO*    G  39          2HO*        G  39  85.732  43.637 -94.881
  417    H1*    G  39           H1*        G  39  84.915  44.027 -96.528
  418    H8     G  39           H8         G  39  86.385  43.906 -99.990
  419    H1     G  39           H1         G  39  84.436  38.243 -97.783
  420   1H2     G  39          1H2         G  39  84.157  38.343 -95.586
  421   2H2     G  39          2H2         G  39  84.455  39.806 -94.672
  422   1H5*    A  40          1H5*        A  40  88.735  45.502 -91.738
  423   2H5*    A  40          2H5*        A  40  87.058  45.909 -91.395
  424    H4*    A  40           H4*        A  40  87.340  44.101 -89.992
  425    H3*    A  40           H3*        A  40  89.326  43.153 -92.040
  426   1H2*    A  40          1H2*        A  40  88.950  40.927 -91.563
  427   2HO*    A  40          2HO*        A  40  87.878  40.246 -89.678
  428    H1*    A  40           H1*        A  40  86.247  41.029 -91.181
  429    H8     A  40           H8         A  40  87.035  43.099 -94.125
  430   1H6     A  40          1H6         A  40  86.771  37.896 -97.408
  431   2H6     A  40          2H6         A  40  86.666  39.638 -97.480
  432    H2     A  40           H2         A  40  87.205  36.808 -93.067
  433   1H5*    A  41          1H5*        A  41  91.013  40.461 -88.190
  434   2H5*    A  41          2H5*        A  41  89.358  40.702 -88.816
  435    H4*    A  41           H4*        A  41  89.881  38.320 -88.410
  436    H3*    A  41           H3*        A  41  92.110  38.914 -90.327
  437   1H2*    A  41          1H2*        A  41  91.878  36.869 -91.367
  438   2HO*    A  41          2HO*        A  41  90.465  35.966 -89.064
  439    H1*    A  41           H1*        A  41  89.139  36.495 -90.905
  440    H8     A  41           H8         A  41  90.272  39.651 -92.726
  441   1H6     A  41          1H6         A  41  90.215  37.961 -97.246
  442   2H6     A  41          2H6         A  41  90.007  36.361 -97.919
  443    H2     A  41           H2         A  41  89.399  33.561 -94.456
  444   1H5*    C  42          1H5*        C  42  95.284  35.488 -88.407
  445   2H5*    C  42          2H5*        C  42  93.568  35.218 -88.831
  446    H4*    C  42           H4*        C  42  95.143  33.625 -89.937
  447    H3*    C  42           H3*        C  42  96.264  36.202 -90.955
  448   1H2*    C  42          1H2*        C  42  96.473  35.460 -93.094
  449   2HO*    C  42          2HO*        C  42  96.685  33.258 -93.608
  450    H1*    C  42           H1*        C  42  94.474  33.564 -93.149
  451   1H4     C  42          1H4         C  42  92.525  38.115 -97.096
  452   2H4     C  42          2H4         C  42  92.660  39.336 -95.851
  453    H5     C  42           H5         C  42  93.441  38.865 -93.624
  454    H6     C  42           H6         C  42  94.212  37.117 -92.090
  455   1H5*    C  43          1H5*        C  43 100.122  32.968 -91.970
  456   2H5*    C  43          2H5*        C  43  98.334  33.004 -92.025
  457    H4*    C  43           H4*        C  43  99.372  32.212 -94.153
  458    H3*    C  43           H3*        C  43 100.708  34.873 -93.898
  459   1H2*    C  43          1H2*        C  43 100.442  35.437 -96.095
  460   2HO*    C  43          2HO*        C  43 100.019  33.874 -97.713
  461    H1*    C  43           H1*        C  43  98.003  34.222 -96.599
  462   1H4     C  43          1H4         C  43  97.010  40.478 -95.900
  463   2H4     C  43          2H4         C  43  97.199  40.340 -94.166
  464    H5     C  43           H5         C  43  97.798  38.288 -93.063
  465    H6     C  43           H6         C  43  98.321  35.894 -93.385
  466   1H5*    A  44          1H5*        A  44 105.137  32.101 -95.550
  467   2H5*    A  44          2H5*        A  44 103.423  32.178 -96.061
  468    H4*    A  44           H4*        A  44 104.899  32.694 -97.940
  469    H3*    A  44           H3*        A  44 106.272  34.289 -95.918
  470   1H2*    A  44          1H2*        A  44 105.782  36.321 -96.652
  471   2HO*    A  44          2HO*        A  44 106.458  36.899 -98.785
  472    H1*    A  44           H1*        A  44 104.383  35.585 -99.144
  473    H8     A  44           H8         A  44 102.642  36.038 -95.806
  474   1H6     A  44          1H6         A  44 101.131  40.596 -96.340
  475   2H6     A  44          2H6         A  44 101.437  41.822 -97.550
  476    H2     A  44           H2         A  44 104.213  39.998-100.579
  477    H3T    A  44           H3T        A  44 107.889  34.181 -97.560
   
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  61.916  37.390-111.686
    2   2H5*    G   1          2H5*        G   1  62.895  38.643-110.874
    3    H4*    G   1           H4*        G   1  62.163  36.492-109.554
    4    H3*    G   1           H3*        G   1  59.638  37.709-110.181
    5   1H2*    G   1          1H2*        G   1  59.406  39.022-108.393
    6   2HO*    G   1          2HO*        G   1  59.503  36.544-106.954
    7    H1*    G   1           H1*        G   1  61.363  37.590-106.680
    8    H8     G   1           H8         G   1  62.179  40.855-108.207
    9    H1     G   1           H1         G   1  59.592  41.459-102.425
   10   1H2     G   1          1H2         G   1  58.527  38.180-102.906
   11   2H2     G   1          2H2         G   1  58.550  39.585-101.863
   12    H5T    G   1           H5T        G   1  60.153  38.664-111.506
   13   1H5*    G   2          1H5*        G   2  56.424  33.833-107.782
   14   2H5*    G   2          2H5*        G   2  58.121  33.567-107.405
   15    H4*    G   2           H4*        G   2  57.192  33.454-105.291
   16    H3*    G   2           H3*        G   2  55.152  35.354-106.398
   17   1H2*    G   2          1H2*        G   2  54.809  36.416-104.395
   18   2HO*    G   2          2HO*        G   2  55.643  35.399-102.396
   19    H1*    G   2           H1*        G   2  57.342  36.208-103.309
   20    H8     G   2           H8         G   2  57.469  37.506-106.796
   21    H1     G   2           H1         G   2  56.098  42.022-102.533
   22   1H2     G   2          1H2         G   2  55.426  39.367-100.387
   23   2H2     G   2          2H2         G   2  55.487  41.101-100.617
   24   1H5*    G   3          1H5*        G   3  51.665  33.042-103.065
   25   2H5*    G   3          2H5*        G   3  53.395  33.023-103.410
   26    H4*    G   3           H4*        G   3  53.275  34.498-101.592
   27    H3*    G   3           H3*        G   3  50.613  35.140-102.754
   28   1H2*    G   3          1H2*        G   3  50.798  37.454-102.376
   29   2HO*    G   3          2HO*        G   3  52.040  38.202-100.588
   30    H1*    G   3           H1*        G   3  53.601  37.595-101.968
   31    H8     G   3           H8         G   3  52.852  36.792-105.504
   32    H1     G   3           H1         G   3  52.872  43.015-104.130
   33   1H2     G   3          1H2         G   3  52.372  41.960-100.852
   34   2H2     G   3          2H2         G   3  52.553  43.305-101.957
   35   1H5*    A   4          1H5*        A   4  47.409  35.346 -99.056
   36   2H5*    A   4          2H5*        A   4  47.915  34.915 -97.433
   37    H4*    A   4           H4*        A   4  47.453  37.014 -96.761
   38    H3*    A   4           H3*        A   4  46.828  37.375 -99.702
   39   1H2*    A   4          1H2*        A   4  46.638  39.703 -99.412
   40   2HO*    A   4          2HO*        A   4  47.019  40.570 -97.222
   41    H1*    A   4           H1*        A   4  48.917  40.015 -98.105
   42    H8     A   4           H8         A   4  49.285  37.123-100.385
   43   1H6     A   4          1H6         A   4  50.187  41.110-104.992
   44   2H6     A   4          2H6         A   4  50.352  39.441-104.493
   45    H2     A   4           H2         A   4  48.623  43.376-101.438
   46   1H5*    G   5          1H5*        G   5  42.216  39.038 -97.626
   47   2H5*    G   5          2H5*        G   5  43.941  38.770 -97.376
   48    H4*    G   5           H4*        G   5  43.497  41.152 -97.643
   49    H3*    G   5           H3*        G   5  42.036  40.181-100.064
   50   1H2*    G   5          1H2*        G   5  42.778  41.873-101.421
   51   2HO*    G   5          2HO*        G   5  42.962  43.273 -98.992
   52    H1*    G   5           H1*        G   5  45.259  42.350-100.230
   53    H8     G   5           H8         G   5  45.045  38.733-100.960
   54    H1     G   5           H1         G   5  46.569  42.167-106.104
   55   1H2     G   5          1H2         G   5  46.080  44.305-105.789
   56   2H2     G   5          2H2         G   5  45.373  44.888-104.296
   57   1H5*    C   6          1H5*        C   6  38.626  43.698 -99.770
   58   2H5*    C   6          2H5*        C   6  40.204  44.012-100.553
   59    H4*    C   6           H4*        C   6  38.304  44.852-101.909
   60    H3*    C   6           H3*        C   6  37.420  42.016-101.560
   61   1H2*    C   6          1H2*        C   6  36.793  41.726-103.736
   62   2HO*    C   6          2HO*        C   6  36.365  43.500-105.123
   63    H1*    C   6           H1*        C   6  38.657  43.324-104.995
   64   1H4     C   6          1H4         C   6  40.742  37.390-105.843
   65   2H4     C   6          2H4         C   6  41.017  37.189-104.128
   66    H5     C   6           H5         C   6  40.473  38.874-102.498
   67    H6     C   6           H6         C   6  39.549  41.119-102.159
   68   1H5*    U   7          1H5*        U   7  32.705  43.021-102.648
   69   2H5*    U   7          2H5*        U   7  34.331  43.431-103.272
   70    H4*    U   7           H4*        U   7  33.149  42.186-104.971
   71    H3*    U   7           H3*        U   7  32.495  40.390-102.669
   72   1H2*    U   7          1H2*        U   7  32.779  38.456-103.867
   73   2HO*    U   7          2HO*        U   7  32.609  38.425-106.153
   74    H1*    U   7           H1*        U   7  34.662  39.376-105.754
   75    H3     U   7           H3         U   7  36.863  35.851-104.100
   76    H5     U   7           H5         U   7  36.464  38.369-100.745
   77    H6     U   7           H6         U   7  35.112  39.854-102.094
   78   1H5*    C   8          1H5*        C   8  29.822  37.967-102.805
   79   2H5*    C   8          2H5*        C   8  28.042  38.095-102.966
   80    H4*    C   8           H4*        C   8  28.778  36.108-104.126
   81    H3*    C   8           H3*        C   8  31.053  37.711-104.763
   82   1H2*    C   8          1H2*        C   8  30.625  38.357-106.846
   83   2HO*    C   8          2HO*        C   8  31.713  36.381-107.352
   84    H1*    C   8           H1*        C   8  28.359  36.635-107.508
   85   1H4     C   8          1H4         C   8  27.008  42.057-110.440
   86   2H4     C   8          2H4         C   8  27.578  42.991-109.075
   87    H5     C   8           H5         C   8  28.469  41.971-107.075
   88    H6     C   8           H6         C   8  29.041  39.894-105.964
   89   1H5*    A   9          1H5*        A   9  32.816  33.178-107.092
   90   2H5*    A   9          2H5*        A   9  31.145  33.723-107.418
   91    H4*    A   9           H4*        A   9  32.341  32.852-109.436
   92    H3*    A   9           H3*        A   9  34.201  35.069-108.671
   93   1H2*    A   9          1H2*        A   9  34.469  35.810-110.827
   94   2HO*    A   9          2HO*        A   9  33.959  34.487-112.633
   95    H1*    A   9           H1*        A   9  31.950  35.260-111.821
   96    H8     A   9           H8         A   9  30.922  37.114-108.981
   97   1H6     A   9          1H6         A   9  33.589  42.243-111.101
   98   2H6     A   9          2H6         A   9  32.446  41.595-109.946
   99    H2     A   9           H2         A   9  35.193  38.758-113.445
  100   1H5*    A  10          1H5*        A  10  38.584  32.336-110.236
  101   2H5*    A  10          2H5*        A  10  36.908  32.215-110.852
  102    H4*    A  10           H4*        A  10  38.086  33.018-112.703
  103    H3*    A  10           H3*        A  10  39.725  34.503-110.681
  104   1H2*    A  10          1H2*        A  10  40.022  36.333-112.034
  105   2HO*    A  10          2HO*        A  10  39.713  36.234-114.298
  106    H1*    A  10           H1*        A  10  37.610  36.353-113.354
  107    H8     A  10           H8         A  10  36.876  36.017-109.707
  108   1H6     A  10          1H6         A  10  38.254  41.979-109.050
  109   2H6     A  10          2H6         A  10  37.526  40.582-108.287
  110    H2     A  10           H2         A  10  39.632  40.656-113.121
  111   1H5*    C  11          1H5*        C  11  44.061  34.478-113.546
  112   2H5*    C  11          2H5*        C  11  42.356  34.464-114.088
  113    H4*    C  11           H4*        C  11  43.346  36.518-114.852
  114    H3*    C  11           H3*        C  11  44.460  36.604-112.073
  115   1H2*    C  11          1H2*        C  11  44.146  38.856-111.823
  116   2HO*    C  11          2HO*        C  11  43.846  40.244-113.638
  117    H1*    C  11           H1*        C  11  41.855  39.194-113.317
  118   1H4     C  11          1H4         C  11  40.447  37.744-107.010
  119   2H4     C  11          2H4         C  11  40.098  39.446-107.221
  120    H5     C  11           H5         C  11  41.410  36.372-108.729
  121    H6     C  11           H6         C  11  42.229  36.319-111.033
  122   1H5*    U  12          1H5*        U  12  47.895  40.104-114.445
  123   2H5*    U  12          2H5*        U  12  46.290  39.581-115.034
  124    H4*    U  12           H4*        U  12  46.342  41.996-114.966
  125    H3*    U  12           H3*        U  12  47.482  41.530-112.238
  126   1H2*    U  12          1H2*        U  12  46.317  43.256-111.275
  127   2HO*    U  12          2HO*        U  12  45.456  44.977-112.522
  128    H1*    U  12           H1*        U  12  44.027  43.205-112.886
  129    H3     U  12           H3         U  12  41.882  42.221-109.101
  130    H5     U  12           H5         U  12  45.080  39.476-109.070
  131    H6     U  12           H6         U  12  45.861  40.463-111.147
  132   1H5*    C  13          1H5*        C  13  50.250  46.087-112.826
  133   2H5*    C  13          2H5*        C  13  48.788  45.413-113.533
  134    H4*    C  13           H4*        C  13  48.176  47.372-112.276
  135    H3*    C  13           H3*        C  13  49.952  46.133-110.203
  136   1H2*    C  13          1H2*        C  13  48.580  46.791-108.440
  137   2HO*    C  13          2HO*        C  13  46.867  48.271-108.744
  138    H1*    C  13           H1*        C  13  46.211  46.215-109.503
  139   1H4     C  13          1H4         C  13  47.474  40.675-106.769
  140   2H4     C  13          2H4         C  13  48.293  40.158-108.225
  141    H5     C  13           H5         C  13  48.888  41.665-110.006
  142    H6     C  13           H6         C  13  48.663  43.947-110.858
  143   1H5*    U  14          1H5*        U  14  51.497  50.379-107.855
  144   2H5*    U  14          2H5*        U  14  49.964  50.114-108.676
  145    H4*    U  14           H4*        U  14  49.365  50.368-106.426
  146    H3*    U  14           H3*        U  14  51.794  48.684-105.846
  147   1H2*    U  14          1H2*        U  14  50.807  47.909-103.881
  148   2HO*    U  14          2HO*        U  14  48.740  48.900-103.205
  149    H1*    U  14           H1*        U  14  48.237  47.703-104.868
  150    H3     U  14           H3         U  14  49.634  43.550-103.664
  151    H5     U  14           H5         U  14  51.162  44.145-107.544
  152    H6     U  14           H6         U  14  50.515  46.468-107.375
  153   1H5*    C  15          1H5*        C  15  53.681  51.589-101.887
  154   2H5*    C  15          2H5*        C  15  52.108  51.567-102.679
  155    H4*    C  15           H4*        C  15  51.838  50.434-100.596
  156    H3*    C  15           H3*        C  15  54.460  49.189-101.341
  157   1H2*    C  15          1H2*        C  15  53.900  47.117-100.519
  158   2HO*    C  15          2HO*        C  15  52.122  46.840 -99.070
  159    H1*    C  15           H1*        C  15  51.237  47.087-101.088
  160   1H4     C  15          1H4         C  15  53.417  43.452-105.728
  161   2H4     C  15          2H4         C  15  53.703  44.882-106.699
  162    H5     C  15           H5         C  15  53.783  47.115-105.759
  163    H6     C  15           H6         C  15  53.101  48.484-103.854
  164   1H5*    C  16          1H5*        C  16  55.515  48.408 -96.317
  165   2H5*    C  16          2H5*        C  16  54.121  48.801 -97.317
  166    H4*    C  16           H4*        C  16  53.921  46.501 -96.706
  167    H3*    C  16           H3*        C  16  56.820  46.397 -97.485
  168   1H2*    C  16          1H2*        C  16  56.597  44.280 -98.331
  169   2HO*    C  16          2HO*        C  16  54.785  42.934 -97.728
  170    H1*    C  16           H1*        C  16  53.941  44.378 -99.090
  171   1H4     C  16          1H4         C  16  57.255  45.536-104.580
  172   2H4     C  16          2H4         C  16  57.059  43.797-104.514
  173    H5     C  16           H5         C  16  56.749  46.993-102.721
  174    H6     C  16           H6         C  16  55.904  47.079-100.414
  175   1H5*    C  17          1H5*        C  17  57.051  42.244 -93.982
  176   2H5*    C  17          2H5*        C  17  55.660  43.067 -94.673
  177    H4*    C  17           H4*        C  17  55.402  40.837 -95.359
  178    H3*    C  17           H3*        C  17  58.374  40.925 -95.699
  179   1H2*    C  17          1H2*        C  17  58.354  39.430 -97.464
  180   2HO*    C  17          2HO*        C  17  56.218  38.388 -97.978
  181    H1*    C  17           H1*        C  17  56.055  40.302 -98.689
  182   1H4     C  17          1H4         C  17  60.517  44.494-101.011
  183   2H4     C  17          2H4         C  17  60.454  43.185-102.171
  184    H5     C  17           H5         C  17  59.394  44.426 -98.878
  185    H6     C  17           H6         C  17  58.021  43.056 -97.374
  186   1H5*    C  18          1H5*        C  18  60.307  36.956 -94.597
  187   2H5*    C  18          2H5*        C  18  58.707  37.441 -95.146
  188    H4*    C  18           H4*        C  18  59.947  37.106 -97.117
  189    H3*    C  18           H3*        C  18  62.164  38.497 -95.631
  190   1H2*    C  18          1H2*        C  18  62.978  39.449 -97.579
  191   2HO*    C  18          2HO*        C  18  62.397  38.563 -99.648
  192    H1*    C  18           H1*        C  18  60.542  39.573 -98.986
  193   1H4     C  18          1H4         C  18  61.997  45.625 -98.240
  194   2H4     C  18          2H4         C  18  61.106  45.639 -96.731
  195    H5     C  18           H5         C  18  60.367  43.626 -95.618
  196    H6     C  18           H6         C  18  60.184  41.183 -95.801
  197   1H5*    C  19          1H5*        C  19  64.889  34.766 -98.585
  198   2H5*    C  19          2H5*        C  19  63.315  35.547 -98.500
  199    H4*    C  19           H4*        C  19  64.155  36.029-100.664
  200    H3*    C  19           H3*        C  19  66.733  36.514 -99.202
  201   1H2*    C  19          1H2*        C  19  67.355  38.204-100.631
  202   2HO*    C  19          2HO*        C  19  65.528  37.014-102.457
  203    H1*    C  19           H1*        C  19  64.816  39.103-101.330
  204   1H4     C  19          1H4         C  19  67.219  43.931 -98.085
  205   2H4     C  19          2H4         C  19  66.652  43.207 -96.593
  206    H5     C  19           H5         C  19  65.817  40.934 -96.454
  207    H6     C  19           H6         C  19  65.194  38.941 -97.746
  208   1H5*    C  20          1H5*        C  20  69.635  34.370-103.253
  209   2H5*    C  20          2H5*        C  20  67.986  34.956-103.424
  210    H4*    C  20           H4*        C  20  69.238  36.147-105.037
  211    H3*    C  20           H3*        C  20  71.294  36.261-102.871
  212   1H2*    C  20          1H2*        C  20  72.028  38.340-103.405
  213   2HO*    C  20          2HO*        C  20  70.758  37.929-105.928
  214    H1*    C  20           H1*        C  20  69.686  39.470-104.206
  215   1H4     C  20          1H4         C  20  70.444  41.745 -98.389
  216   2H4     C  20          2H4         C  20  69.668  40.315 -97.740
  217    H5     C  20           H5         C  20  69.222  38.348 -99.069
  218    H6     C  20           H6         C  20  69.203  37.420-101.343
  219   1H5*    C  21          1H5*        C  21  74.984  35.796-105.816
  220   2H5*    C  21          2H5*        C  21  73.809  37.062-105.355
  221    H4*    C  21           H4*        C  21  76.148  37.848-105.209
  222    H3*    C  21           H3*        C  21  76.368  35.455-103.424
  223   1H2*    C  21          1H2*        C  21  77.664  36.558-101.877
  224   2HO*    C  21          2HO*        C  21  79.244  37.224-103.334
  225    H1*    C  21           H1*        C  21  76.731  39.186-102.361
  226   1H4     C  21          1H4         C  21  75.365  37.197 -96.425
  227   2H4     C  21          2H4         C  21  73.685  37.302 -96.902
  228    H5     C  21           H5         C  21  72.986  37.680 -99.165
  229    H6     C  21           H6         C  21  73.713  38.056-101.479
  230   1H5*    U  22          1H5*        U  22  80.483  36.873-106.234
  231   2H5*    U  22          2H5*        U  22  80.860  38.342-105.285
  232    H4*    U  22           H4*        U  22  82.815  37.210-104.304
  233    H3*    U  22           H3*        U  22  82.563  38.127-106.939
  234   1H2*    U  22          1H2*        U  22  82.607  36.162-108.071
  235   2HO*    U  22          2HO*        U  22  84.639  36.934-108.607
  236    H1*    U  22           H1*        U  22  84.251  34.665-106.088
  237    H3     U  22           H3         U  22  82.877  32.160-109.880
  238    H5     U  22           H5         U  22  80.042  31.715-106.792
  239    H6     U  22           H6         U  22  81.121  33.544-105.626
  240   1H5*    U  23          1H5*        U  23  86.026  36.481-107.838
  241   2H5*    U  23          2H5*        U  23  86.796  37.590-109.011
  242    H4*    U  23           H4*        U  23  88.228  35.636-108.443
  243    H3*    U  23           H3*        U  23  87.744  36.693-105.701
  244   1H2*    U  23          1H2*        U  23  89.923  36.524-105.033
  245   2HO*    U  23          2HO*        U  23  91.371  35.048-106.009
  246    H1*    U  23           H1*        U  23  91.193  36.752-107.484
  247    H3     U  23           H3         U  23  93.157  39.977-105.030
  248    H5     U  23           H5         U  23  89.171  41.298-105.416
  249    H6     U  23           H6         U  23  88.652  39.194-106.516
  250   1H5*    U  24          1H5*        U  24  87.680  31.333-104.851
  251   2H5*    U  24          2H5*        U  24  88.732  32.502-105.707
  252    H4*    U  24           H4*        U  24  89.941  30.849-104.202
  253    H3*    U  24           H3*        U  24  88.195  32.271-102.247
  254   1H2*    U  24          1H2*        U  24  89.812  32.590-100.681
  255   2HO*    U  24          2HO*        U  24  90.549  30.388-100.726
  256    H1*    U  24           H1*        U  24  91.957  33.022-102.319
  257    H3     U  24           H3         U  24  90.901  36.759 -99.863
  258    H5     U  24           H5         U  24  88.397  36.885-103.250
  259    H6     U  24           H6         U  24  89.212  34.666-103.855
  260   1H5*    U  25          1H5*        U  25  86.265  28.602 -99.414
  261   2H5*    U  25          2H5*        U  25  87.952  28.733 -99.888
  262    H4*    U  25           H4*        U  25  87.773  29.187 -97.533
  263    H3*    U  25           H3*        U  25  85.670  31.172 -98.394
  264   1H2*    U  25          1H2*        U  25  86.221  32.503 -96.552
  265   2HO*    U  25          2HO*        U  25  87.524  30.165 -95.608
  266    H1*    U  25           H1*        U  25  88.914  32.114 -96.684
  267    H3     U  25           H3         U  25  88.049  36.508 -97.379
  268    H5     U  25           H5         U  25  87.709  34.684-101.161
  269    H6     U  25           H6         U  25  87.816  32.526-100.064
  270   1H5*    C  26          1H5*        C  26  82.265  30.511 -94.686
  271   2H5*    C  26          2H5*        C  26  83.992  30.195 -94.736
  272    H4*    C  26           H4*        C  26  83.781  32.050 -93.318
  273    H3*    C  26           H3*        C  26  81.719  32.972 -95.298
  274   1H2*    C  26          1H2*        C  26  82.203  35.195 -94.861
  275   2HO*    C  26          2HO*        C  26  83.390  35.752 -92.905
  276    H1*    C  26           H1*        C  26  84.886  34.859 -94.138
  277   1H4     C  26          1H4         C  26  85.375  38.296 -99.368
  278   2H4     C  26          2H4         C  26  85.433  36.822-100.312
  279    H5     C  26           H5         C  26  84.870  34.655 -99.411
  280    H6     C  26           H6         C  26  84.344  33.407 -97.372
  281   1H5*    C  27          1H5*        C  27  78.391  35.430 -92.823
  282   2H5*    C  27          2H5*        C  27  78.495  35.397 -91.047
  283    H4*    C  27           H4*        C  27  79.868  37.280 -90.984
  284    H3*    C  27           H3*        C  27  77.904  37.457 -93.254
  285   1H2*    C  27          1H2*        C  27  78.782  39.422 -94.036
  286   2HO*    C  27          2HO*        C  27  79.406  39.783 -91.350
  287    H1*    C  27           H1*        C  27  81.438  39.035 -93.206
  288   1H4     C  27          1H4         C  27  81.811  38.814 -99.475
  289   2H4     C  27          2H4         C  27  81.642  37.074 -99.396
  290    H5     C  27           H5         C  27  80.892  35.914 -97.415
  291    H6     C  27           H6         C  27  80.445  36.141 -95.011
  292   1H5*    G  28          1H5*        G  28  75.112  41.527 -90.996
  293   2H5*    G  28          2H5*        G  28  76.723  41.003 -90.523
  294    H4*    G  28           H4*        G  28  77.042  43.222 -91.211
  295    H3*    G  28           H3*        G  28  74.974  42.557 -93.279
  296   1H2*    G  28          1H2*        G  28  75.932  43.883 -94.900
  297   2HO*    G  28          2HO*        G  28  77.644  45.415 -94.267
  298    H1*    G  28           H1*        G  28  78.580  43.524 -94.284
  299    H8     G  28           H8         G  28  76.776  40.217 -94.269
  300    H1     G  28           H1         G  28  78.604  42.082-100.078
  301   1H2     G  28          1H2         G  28  78.998  45.219 -98.629
  302   2H2     G  28          2H2         G  28  79.102  44.236-100.074
  303   1H5*    A  29          1H5*        A  29  73.961  47.788 -93.169
  304   2H5*    A  29          2H5*        A  29  75.244  46.708 -92.641
  305    H4*    A  29           H4*        A  29  76.205  48.041 -94.340
  306    H3*    A  29           H3*        A  29  73.601  47.560 -95.777
  307   1H2*    A  29          1H2*        A  29  74.664  47.659 -97.844
  308   2HO*    A  29          2HO*        A  29  76.864  48.463 -97.982
  309    H1*    A  29           H1*        A  29  77.055  46.487 -97.091
  310    H8     A  29           H8         A  29  74.204  44.349 -95.916
  311   1H6     A  29          1H6         A  29  74.446  41.658-101.453
  312   2H6     A  29          2H6         A  29  73.895  41.492 -99.800
  313    H2     A  29           H2         A  29  76.730  45.523-101.675
  314   1H5*    G  30          1H5*        G  30  73.043  51.764 -98.352
  315   2H5*    G  30          2H5*        G  30  74.508  51.025 -97.719
  316    H4*    G  30           H4*        G  30  74.516  50.704-100.089
  317    H3*    G  30           H3*        G  30  71.652  49.935 -99.628
  318   1H2*    G  30          1H2*        G  30  71.698  48.298-101.282
  319   2HO*    G  30          2HO*        G  30  73.622  48.131-102.661
  320    H1*    G  30           H1*        G  30  74.143  47.259-100.781
  321    H8     G  30           H8         G  30  72.370  48.081 -97.504
  322    H1     G  30           H1         G  30  70.845  42.440-100.025
  323   1H2     G  30          1H2         G  30  72.243  43.728-102.940
  324   2H2     G  30          2H2         G  30  71.444  42.383-102.156
  325   1H5*    G  31          1H5*        G  31  70.234  51.925-104.315
  326   2H5*    G  31          2H5*        G  31  71.745  51.335-103.633
  327    H4*    G  31           H4*        G  31  71.073  49.810-105.359
  328    H3*    G  31           H3*        G  31  68.420  50.045-103.993
  329   1H2*    G  31          1H2*        G  31  67.876  47.821-104.377
  330   2HO*    G  31          2HO*        G  31  70.027  47.829-106.271
  331    H1*    G  31           H1*        G  31  70.361  46.722-103.983
  332    H8     G  31           H8         G  31  69.574  49.347-101.363
  333    H1     G  31           H1         G  31  67.276  43.581 -99.913
  334   1H2     G  31          1H2         G  31  67.824  42.816-103.239
  335   2H2     G  31          2H2         G  31  67.249  42.295-101.676
  336   1H5*    G  32          1H5*        G  32  66.940  47.995-108.250
  337   2H5*    G  32          2H5*        G  32  68.232  48.443-107.146
  338    H4*    G  32           H4*        G  32  67.847  46.229-106.613
  339    H3*    G  32           H3*        G  32  64.916  46.843-106.963
  340   1H2*    G  32          1H2*        G  32  64.395  45.102-105.512
  341   2HO*    G  32          2HO*        G  32  66.747  44.060-106.579
  342    H1*    G  32           H1*        G  32  66.827  45.209-104.048
  343    H8     G  32           H8         G  32  65.129  48.440-103.519
  344    H1     G  32           H1         G  32  62.719  43.731 -99.973
  345   1H2     G  32          1H2         G  32  64.200  41.627-102.321
  346   2H2     G  32          2H2         G  32  63.241  41.769-100.864
  347   1H5*    U  33          1H5*        U  33  62.794  45.112-110.656
  348   2H5*    U  33          2H5*        U  33  63.542  46.728-110.872
  349    H4*    U  33           H4*        U  33  62.777  45.136-112.918
  350    H3*    U  33           H3*        U  33  65.085  43.852-111.917
  351   1H2*    U  33          1H2*        U  33  66.691  45.231-112.745
  352   2HO*    U  33          2HO*        U  33  66.754  43.408-114.197
  353    H1*    U  33           H1*        U  33  65.107  46.252-115.047
  354    H3     U  33           H3         U  33  68.281  49.337-115.650
  355    H5     U  33           H5         U  33  67.882  49.238-111.454
  356    H6     U  33           H6         U  33  66.248  47.464-111.718
  357   1H5*    C  34          1H5*        C  34  66.176  39.666-114.123
  358   2H5*    C  34          2H5*        C  34  66.165  41.045-115.261
  359    H4*    C  34           H4*        C  34  68.427  40.184-115.040
  360    H3*    C  34           H3*        C  34  67.836  40.435-112.109
  361   1H2*    C  34          1H2*        C  34  69.970  41.156-111.610
  362   2HO*    C  34          2HO*        C  34  70.768  40.265-114.202
  363    H1*    C  34           H1*        C  34  70.452  42.688-113.848
  364   1H4     C  34          1H4         C  34  67.559  45.607-108.605
  365   2H4     C  34          2H4         C  34  68.973  46.558-109.002
  366    H5     C  34           H5         C  34  66.849  43.673-109.934
  367    H6     C  34           H6         C  34  67.399  42.229-111.792
  368   1H5*    A  35          1H5*        A  35  71.785  37.722-111.551
  369   2H5*    A  35          2H5*        A  35  70.975  38.980-112.514
  370    H4*    A  35           H4*        A  35  72.746  40.131-111.666
  371    H3*    A  35           H3*        A  35  72.899  38.071-109.746
  372   1H2*    A  35          1H2*        A  35  71.986  39.149-107.952
  373   2HO*    A  35          2HO*        A  35  74.353  40.727-108.251
  374    H1*    A  35           H1*        A  35  72.590  41.885-108.962
  375    H8     A  35           H8         A  35  69.202  41.178-109.367
  376   1H6     A  35          1H6         A  35  67.359  43.070-105.353
  377   2H6     A  35          2H6         A  35  68.025  43.382-103.769
  378    H2     A  35           H2         A  35  72.344  42.140-103.897
  379   1H5*    U  36          1H5*        U  36  78.048  40.371-110.279
  380   2H5*    U  36          2H5*        U  36  76.391  40.751-110.713
  381    H4*    U  36           H4*        U  36  77.259  42.759-109.881
  382    H3*    U  36           H3*        U  36  78.581  41.014-107.826
  383   1H2*    U  36          1H2*        U  36  78.460  42.663-106.222
  384   2HO*    U  36          2HO*        U  36  78.103  44.872-106.795
  385    H1*    U  36           H1*        U  36  76.105  43.877-107.056
  386    H3     U  36           H3         U  36  75.645  42.623-102.706
  387    H5     U  36           H5         U  36  74.614  39.269-105.034
  388    H6     U  36           H6         U  36  75.529  40.389-106.961
  389   1H5*    C  37          1H5*        C  37  82.319  44.618-107.897
  390   2H5*    C  37          2H5*        C  37  80.660  44.303-108.394
  391    H4*    C  37           H4*        C  37  80.591  45.736-106.480
  392    H3*    C  37           H3*        C  37  82.487  43.725-105.269
  393   1H2*    C  37          1H2*        C  37  81.576  44.101-103.178
  394   2HO*    C  37          2HO*        C  37  80.737  46.580-104.282
  395    H1*    C  37           H1*        C  37  78.983  44.755-104.023
  396   1H4     C  37          1H4         C  37  78.586  39.440-100.645
  397   2H4     C  37          2H4         C  37  78.716  38.516-102.124
  398    H5     C  37           H5         C  37  79.344  39.489-104.237
  399    H6     C  37           H6         C  37  79.781  41.585-105.421
  400   1H5*    G  38          1H5*        G  38  85.425  47.890-103.134
  401   2H5*    G  38          2H5*        G  38  83.814  47.938-103.842
  402    H4*    G  38           H4*        G  38  83.539  48.746-101.633
  403    H3*    G  38           H3*        G  38  85.504  46.585-100.959
  404   1H2*    G  38          1H2*        G  38  84.521  46.064 -98.951
  405   2HO*    G  38          2HO*        G  38  83.276  48.616 -99.182
  406    H1*    G  38           H1*        G  38  81.894  46.408 -99.627
  407    H8     G  38           H8         G  38  83.769  44.567-102.349
  408    H1     G  38           H1         G  38  81.750  40.801 -97.624
  409   1H2     G  38          1H2         G  38  81.356  43.762 -95.838
  410   2H2     G  38          2H2         G  38  81.231  42.016 -95.849
  411   1H5*    G  39          1H5*        G  39  87.482  48.654 -96.828
  412   2H5*    G  39          2H5*        G  39  85.922  48.853 -97.608
  413    H4*    G  39           H4*        G  39  85.510  47.656 -95.605
  414    H3*    G  39           H3*        G  39  87.866  45.964 -96.435
  415   1H2*    G  39          1H2*        G  39  86.962  44.159 -95.276
  416   2HO*    G  39          2HO*        G  39  85.146  44.455 -93.862
  417    H1*    G  39           H1*        G  39  84.328  44.640 -95.938
  418    H8     G  39           H8         G  39  86.388  44.930 -99.049
  419    H1     G  39           H1         G  39  85.214  38.876 -97.418
  420   1H2     G  39          1H2         G  39  84.572  38.764 -95.301
  421   2H2     G  39          2H2         G  39  84.420  40.185 -94.291
  422   1H5*    A  40          1H5*        A  40  90.509  45.577 -91.946
  423   2H5*    A  40          2H5*        A  40  88.804  45.992 -92.061
  424    H4*    A  40           H4*        A  40  88.710  43.904 -91.062
  425    H3*    A  40           H3*        A  40  91.141  43.314 -92.719
  426   1H2*    A  40          1H2*        A  40  90.604  41.094 -92.938
  427   2HO*    A  40          2HO*        A  40  89.228  41.506 -90.512
  428    H1*    A  40           H1*        A  40  87.830  41.294 -92.721
  429    H8     A  40           H8         A  40  89.137  43.335 -95.600
  430   1H6     A  40          1H6         A  40  88.444  38.212 -98.948
  431   2H6     A  40          2H6         A  40  88.583  39.955 -99.006
  432    H2     A  40           H2         A  40  88.377  37.059 -94.598
  433   1H5*    A  41          1H5*        A  41  91.919  40.077 -88.423
  434   2H5*    A  41          2H5*        A  41  90.433  40.820 -89.084
  435    H4*    A  41           H4*        A  41  90.033  38.457 -88.793
  436    H3*    A  41           H3*        A  41  92.705  38.206 -90.116
  437   1H2*    A  41          1H2*        A  41  92.108  36.397 -91.398
  438   2HO*    A  41          2HO*        A  41  89.849  36.039 -89.691
  439    H1*    A  41           H1*        A  41  89.479  37.013 -91.886
  440    H8     A  41           H8         A  41  92.128  39.754 -92.253
  441   1H6     A  41          1H6         A  41  93.182  39.125 -96.925
  442   2H6     A  41          2H6         A  41  92.737  37.902 -98.094
  443    H2     A  41           H2         A  41  90.039  35.002 -95.978
  444   1H5*    C  42          1H5*        C  42  93.906  33.915 -88.003
  445   2H5*    C  42          2H5*        C  42  92.526  34.134 -89.119
  446    H4*    C  42           H4*        C  42  94.089  32.253 -89.727
  447    H3*    C  42           H3*        C  42  95.973  34.570 -89.847
  448   1H2*    C  42          1H2*        C  42  96.886  33.947 -91.827
  449   2HO*    C  42          2HO*        C  42  96.881  31.789 -92.557
  450    H1*    C  42           H1*        C  42  94.785  32.556 -92.930
  451   1H4     C  42          1H4         C  42  95.575  37.709 -96.532
  452   2H4     C  42          2H4         C  42  95.300  38.770 -95.169
  453    H5     C  42           H5         C  42  94.873  37.970 -92.941
  454    H6     C  42           H6         C  42  94.630  35.976 -91.532
  455   1H5*    C  43          1H5*        C  43  99.468  30.755 -89.802
  456   2H5*    C  43          2H5*        C  43  97.834  31.026 -90.478
  457    H4*    C  43           H4*        C  43  99.471  30.307 -92.200
  458    H3*    C  43           H3*        C  43 100.923  32.694 -91.132
  459   1H2*    C  43          1H2*        C  43 101.544  33.472 -93.188
  460   2HO*    C  43          2HO*        C  43 102.383  31.426 -93.893
  461    H1*    C  43           H1*        C  43  99.338  32.692 -94.669
  462   1H4     C  43          1H4         C  43  98.954  38.959 -93.586
  463   2H4     C  43          2H4         C  43  98.549  38.675 -91.909
  464    H5     C  43           H5         C  43  98.487  36.482 -90.918
  465    H6     C  43           H6         C  43  98.738  34.065 -91.346
  466   1H5*    A  44          1H5*        A  44 101.828  32.593 -87.469
  467   2H5*    A  44          2H5*        A  44 103.334  31.815 -88.043
  468    H4*    A  44           H4*        A  44 103.528  34.278 -87.947
  469    H3*    A  44           H3*        A  44 100.966  34.110 -89.340
  470   1H2*    A  44          1H2*        A  44 101.605  34.800 -91.355
  471   2HO*    A  44          2HO*        A  44 101.352  36.916 -90.464
  472    H1*    A  44           H1*        A  44 104.403  35.494 -90.711
  473    H8     A  44           H8         A  44 103.638  32.042 -91.922
  474   1H6     A  44          1H6         A  44 104.308  32.658 -96.667
  475   2H6     A  44          2H6         A  44 104.534  34.076 -97.668
  476    H2     A  44           H2         A  44 104.409  37.637 -94.929
  477    H3T    A  44           H3T        A  44 101.459  35.393 -87.475
   
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  62.557  36.074-110.504
    2   2H5*    G   1          2H5*        G   1  63.487  37.444-109.835
    3    H4*    G   1           H4*        G   1  62.735  35.476-108.262
    4    H3*    G   1           H3*        G   1  60.222  36.541-109.149
    5   1H2*    G   1          1H2*        G   1  59.910  38.104-107.586
    6   2HO*    G   1          2HO*        G   1  59.942  35.858-105.803
    7    H1*    G   1           H1*        G   1  61.794  36.941-105.603
    8    H8     G   1           H8         G   1  62.663  39.985-107.509
    9    H1     G   1           H1         G   1  59.816  41.306-101.974
   10   1H2     G   1          1H2         G   1  58.784  37.982-102.076
   11   2H2     G   1          2H2         G   1  58.755  39.511-101.223
   12    H5T    G   1           H5T        G   1  61.779  38.125-111.166
   13   1H5*    G   2          1H5*        G   2  56.922  33.010-106.392
   14   2H5*    G   2          2H5*        G   2  58.588  32.809-105.867
   15    H4*    G   2           H4*        G   2  57.519  32.988-103.827
   16    H3*    G   2           H3*        G   2  55.570  34.711-105.320
   17   1H2*    G   2          1H2*        G   2  55.099  36.032-103.504
   18   2HO*    G   2          2HO*        G   2  56.107  33.867-101.952
   19    H1*    G   2           H1*        G   2  57.553  35.959-102.223
   20    H8     G   2           H8         G   2  57.917  36.837-105.825
   21    H1     G   2           H1         G   2  56.292  41.819-102.221
   22   1H2     G   2          1H2         G   2  55.487  39.432 -99.821
   23   2H2     G   2          2H2         G   2  55.565  41.127-100.250
   24   1H5*    G   3          1H5*        G   3  51.845  32.796-101.972
   25   2H5*    G   3          2H5*        G   3  53.596  32.761-102.184
   26    H4*    G   3           H4*        G   3  53.325  34.439-100.568
   27    H3*    G   3           H3*        G   3  50.769  34.916-102.013
   28   1H2*    G   3          1H2*        G   3  50.929  37.261-101.899
   29   2HO*    G   3          2HO*        G   3  51.893  36.571 -99.414
   30    H1*    G   3           H1*        G   3  53.690  37.465-101.279
   31    H8     G   3           H8         G   3  53.221  36.255-104.749
   32    H1     G   3           H1         G   3  53.150  42.595-104.099
   33   1H2     G   3          1H2         G   3  52.410  41.915-100.768
   34   2H2     G   3          2H2         G   3  52.673  43.127-102.001
   35   1H5*    A   4          1H5*        A   4  47.264  35.537 -98.654
   36   2H5*    A   4          2H5*        A   4  47.630  35.307 -96.954
   37    H4*    A   4           H4*        A   4  47.115  37.468 -96.581
   38    H3*    A   4           H3*        A   4  46.757  37.479 -99.589
   39   1H2*    A   4          1H2*        A   4  46.543  39.823 -99.584
   40   2HO*    A   4          2HO*        A   4  46.742  40.938 -97.483
   41    H1*    A   4           H1*        A   4  48.707  40.295 -98.138
   42    H8     A   4           H8         A   4  49.253  37.154-100.016
   43   1H6     A   4          1H6         A   4  50.540  40.560-104.982
   44   2H6     A   4          2H6         A   4  50.656  38.964-104.276
   45    H2     A   4           H2         A   4  48.710  43.231-101.864
   46   1H5*    G   5          1H5*        G   5  42.025  39.374 -97.944
   47   2H5*    G   5          2H5*        G   5  43.727  39.066 -97.595
   48    H4*    G   5           H4*        G   5  43.391  41.428 -98.107
   49    H3*    G   5           H3*        G   5  41.991  40.278-100.485
   50   1H2*    G   5          1H2*        G   5  42.858  41.797-101.966
   51   2HO*    G   5          2HO*        G   5  43.663  43.828-101.278
   52    H1*    G   5           H1*        G   5  45.295  42.327-100.690
   53    H8     G   5           H8         G   5  45.049  38.672-101.108
   54    H1     G   5           H1         G   5  46.921  41.598-106.447
   55   1H2     G   5          1H2         G   5  46.449  43.759-106.364
   56   2H2     G   5          2H2         G   5  45.663  44.487-104.976
   57   1H5*    C   6          1H5*        C   6  38.975  44.177-100.883
   58   2H5*    C   6          2H5*        C   6  40.607  44.409-101.583
   59    H4*    C   6           H4*        C   6  38.800  45.130-103.135
   60    H3*    C   6           H3*        C   6  37.888  42.338-102.584
   61   1H2*    C   6          1H2*        C   6  37.429  41.825-104.757
   62   2HO*    C   6          2HO*        C   6  37.430  44.620-105.322
   63    H1*    C   6           H1*        C   6  39.363  43.328-106.037
   64   1H4     C   6          1H4         C   6  41.730  37.447-106.206
   65   2H4     C   6          2H4         C   6  41.562  37.261-104.476
   66    H5     C   6           H5         C   6  40.637  38.968-103.049
   67    H6     C   6           H6         C   6  39.692  41.226-102.972
   68   1H5*    U   7          1H5*        U   7  32.989  43.939-103.649
   69   2H5*    U   7          2H5*        U   7  34.637  44.279-104.255
   70    H4*    U   7           H4*        U   7  33.352  43.373-106.075
   71    H3*    U   7           H3*        U   7  32.494  41.394-104.003
   72   1H2*    U   7          1H2*        U   7  32.581  39.594-105.428
   73   2HO*    U   7          2HO*        U   7  32.424  41.450-107.584
   74    H1*    U   7           H1*        U   7  34.560  40.533-107.201
   75    H3     U   7           H3         U   7  36.429  36.650-106.014
   76    H5     U   7           H5         U   7  36.264  38.764-102.373
   77    H6     U   7           H6         U   7  35.035  40.513-103.513
   78   1H5*    C   8          1H5*        C   8  29.979  39.279-104.063
   79   2H5*    C   8          2H5*        C   8  28.212  39.544-103.979
   80    H4*    C   8           H4*        C   8  28.680  37.439-105.107
   81    H3*    C   8           H3*        C   8  30.721  39.070-106.440
   82   1H2*    C   8          1H2*        C   8  30.016  38.912-108.536
   83   2HO*    C   8          2HO*        C   8  29.319  36.194-108.042
   84    H1*    C   8           H1*        C   8  27.521  37.512-108.207
   85   1H4     C   8          1H4         C   8  26.131  42.393-111.963
   86   2H4     C   8          2H4         C   8  27.115  43.472-111.000
   87    H5     C   8           H5         C   8  28.337  42.738-109.051
   88    H6     C   8           H6         C   8  28.913  40.859-107.631
   89   1H5*    A   9          1H5*        A   9  32.117  34.449-108.086
   90   2H5*    A   9          2H5*        A   9  30.559  35.125-108.644
   91    H4*    A   9           H4*        A   9  31.762  33.860-110.414
   92    H3*    A   9           H3*        A   9  33.881  35.873-109.752
   93   1H2*    A   9          1H2*        A   9  34.445  36.214-111.953
   94   2HO*    A   9          2HO*        A   9  34.620  33.935-112.415
   95    H1*    A   9           H1*        A   9  31.952  35.895-113.109
   96    H8     A   9           H8         A   9  31.053  38.332-110.684
   97   1H6     A   9          1H6         A   9  34.686  42.564-113.292
   98   2H6     A   9          2H6         A   9  33.379  42.298-112.161
   99    H2     A   9           H2         A   9  35.824  38.538-114.936
  100   1H5*    A  10          1H5*        A  10  37.945  32.578-110.651
  101   2H5*    A  10          2H5*        A  10  36.311  32.593-111.380
  102    H4*    A  10           H4*        A  10  37.684  33.126-113.186
  103    H3*    A  10           H3*        A  10  39.355  34.566-111.158
  104   1H2*    A  10          1H2*        A  10  39.969  36.221-112.631
  105   2HO*    A  10          2HO*        A  10  40.596  34.715-114.290
  106    H1*    A  10           H1*        A  10  37.667  36.391-114.138
  107    H8     A  10           H8         A  10  36.680  36.545-110.539
  108   1H6     A  10          1H6         A  10  38.789  42.326-110.380
  109   2H6     A  10          2H6         A  10  37.845  41.123-109.532
  110    H2     A  10           H2         A  10  40.207  40.414-114.192
  111   1H5*    C  11          1H5*        C  11  43.828  33.782-113.668
  112   2H5*    C  11          2H5*        C  11  42.174  33.927-114.334
  113    H4*    C  11           H4*        C  11  43.463  35.776-115.174
  114    H3*    C  11           H3*        C  11  44.388  35.963-112.331
  115   1H2*    C  11          1H2*        C  11  44.334  38.252-112.276
  116   2HO*    C  11          2HO*        C  11  45.546  38.350-114.324
  117    H1*    C  11           H1*        C  11  42.225  38.725-113.985
  118   1H4     C  11          1H4         C  11  40.101  38.063-107.749
  119   2H4     C  11          2H4         C  11  39.978  39.763-108.145
  120    H5     C  11           H5         C  11  41.062  36.430-109.231
  121    H6     C  11           H6         C  11  42.072  36.062-111.432
  122   1H5*    U  12          1H5*        U  12  48.526  38.798-114.524
  123   2H5*    U  12          2H5*        U  12  46.963  38.407-115.300
  124    H4*    U  12           H4*        U  12  47.221  40.790-115.371
  125    H3*    U  12           H3*        U  12  48.094  40.432-112.530
  126   1H2*    U  12          1H2*        U  12  47.047  42.334-111.793
  127   2HO*    U  12          2HO*        U  12  46.918  43.206-114.502
  128    H1*    U  12           H1*        U  12  44.890  42.382-113.576
  129    H3     U  12           H3         U  12  42.388  41.916-109.912
  130    H5     U  12           H5         U  12  45.235  38.839-109.466
  131    H6     U  12           H6         U  12  46.270  39.588-111.531
  132   1H5*    C  13          1H5*        C  13  51.075  44.785-113.320
  133   2H5*    C  13          2H5*        C  13  49.639  44.040-114.013
  134    H4*    C  13           H4*        C  13  49.005  46.132-112.991
  135    H3*    C  13           H3*        C  13  50.640  45.070-110.713
  136   1H2*    C  13          1H2*        C  13  49.182  45.913-109.103
  137   2HO*    C  13          2HO*        C  13  48.288  47.538-111.223
  138    H1*    C  13           H1*        C  13  46.863  45.282-110.246
  139   1H4     C  13          1H4         C  13  47.838  40.019-106.908
  140   2H4     C  13          2H4         C  13  48.736  39.348-108.251
  141    H5     C  13           H5         C  13  49.468  40.661-110.132
  142    H6     C  13           H6         C  13  49.342  42.851-111.215
  143   1H5*    U  14          1H5*        U  14  52.033  49.550-108.718
  144   2H5*    U  14          2H5*        U  14  50.564  49.166-109.607
  145    H4*    U  14           H4*        U  14  49.817  49.667-107.440
  146    H3*    U  14           H3*        U  14  52.197  48.066-106.520
  147   1H2*    U  14          1H2*        U  14  51.073  47.493-104.560
  148   2HO*    U  14          2HO*        U  14  49.236  49.564-105.262
  149    H1*    U  14           H1*        U  14  48.573  47.184-105.694
  150    H3     U  14           H3         U  14  49.848  43.188-103.954
  151    H5     U  14           H5         U  14  51.677  43.363-107.743
  152    H6     U  14           H6         U  14  51.024  45.686-107.882
  153   1H5*    C  15          1H5*        C  15  53.798  51.381-102.764
  154   2H5*    C  15          2H5*        C  15  52.281  51.253-103.649
  155    H4*    C  15           H4*        C  15  51.883  50.351-101.475
  156    H3*    C  15           H3*        C  15  54.548  49.054-101.914
  157   1H2*    C  15          1H2*        C  15  53.939  47.077-100.911
  158   2HO*    C  15          2HO*        C  15  52.016  48.686 -99.622
  159    H1*    C  15           H1*        C  15  51.315  46.969-101.637
  160   1H4     C  15          1H4         C  15  53.802  42.858-105.693
  161   2H4     C  15          2H4         C  15  54.157  44.172-106.795
  162    H5     C  15           H5         C  15  54.162  46.500-106.109
  163    H6     C  15           H6         C  15  53.355  48.066-104.415
  164   1H5*    C  16          1H5*        C  16  55.287  48.859 -96.777
  165   2H5*    C  16          2H5*        C  16  53.961  49.116 -97.907
  166    H4*    C  16           H4*        C  16  53.743  46.895 -97.050
  167    H3*    C  16           H3*        C  16  56.684  46.752 -97.636
  168   1H2*    C  16          1H2*        C  16  56.537  44.555 -98.259
  169   2HO*    C  16          2HO*        C  16  54.249  44.514 -96.606
  170    H1*    C  16           H1*        C  16  53.925  44.523 -99.173
  171   1H4     C  16          1H4         C  16  57.542  45.083-104.566
  172   2H4     C  16          2H4         C  16  57.352  43.362-104.308
  173    H5     C  16           H5         C  16  56.926  46.741-102.918
  174    H6     C  16           H6         C  16  55.933  47.087-100.697
  175   1H5*    C  17          1H5*        C  17  56.776  42.956 -93.762
  176   2H5*    C  17          2H5*        C  17  55.399  43.656 -94.601
  177    H4*    C  17           H4*        C  17  55.243  41.373 -95.101
  178    H3*    C  17           H3*        C  17  58.232  41.509 -95.241
  179   1H2*    C  17          1H2*        C  17  58.365  39.852 -96.843
  180   2HO*    C  17          2HO*        C  17  55.661  39.242 -96.149
  181    H1*    C  17           H1*        C  17  56.094  40.500 -98.268
  182   1H4     C  17          1H4         C  17  60.617  44.434-100.913
  183   2H4     C  17          2H4         C  17  60.613  42.991-101.902
  184    H5     C  17           H5         C  17  59.392  44.623 -98.845
  185    H6     C  17           H6         C  17  57.979  43.426 -97.231
  186   1H5*    C  18          1H5*        C  18  60.071  37.581 -93.554
  187   2H5*    C  18          2H5*        C  18  58.506  37.989 -94.248
  188    H4*    C  18           H4*        C  18  59.811  37.332 -96.086
  189    H3*    C  18           H3*        C  18  62.010  38.863 -94.719
  190   1H2*    C  18          1H2*        C  18  62.941  39.505 -96.738
  191   2HO*    C  18          2HO*        C  18  61.725  37.132 -97.643
  192    H1*    C  18           H1*        C  18  60.581  39.462 -98.279
  193   1H4     C  18          1H4         C  18  62.192  45.512 -98.431
  194   2H4     C  18          2H4         C  18  61.237  45.790 -96.990
  195    H5     C  18           H5         C  18  60.404  44.002 -95.593
  196    H6     C  18           H6         C  18  60.126  41.565 -95.406
  197   1H5*    C  19          1H5*        C  19  64.988  35.058 -97.269
  198   2H5*    C  19          2H5*        C  19  63.331  35.627 -97.419
  199    H4*    C  19           H4*        C  19  64.178  36.016 -99.550
  200    H3*    C  19           H3*        C  19  66.738  36.609 -98.103
  201   1H2*    C  19          1H2*        C  19  67.415  38.150 -99.663
  202   2HO*    C  19          2HO*        C  19  66.342  38.195-101.783
  203    H1*    C  19           H1*        C  19  64.909  39.026-100.500
  204   1H4     C  19          1H4         C  19  67.263  44.091 -97.615
  205   2H4     C  19          2H4         C  19  66.642  43.502 -96.085
  206    H5     C  19           H5         C  19  65.807  41.249 -95.774
  207    H6     C  19           H6         C  19  65.204  39.158 -96.907
  208   1H5*    C  20          1H5*        C  20  69.760  34.213-101.911
  209   2H5*    C  20          2H5*        C  20  68.109  34.712-102.248
  210    H4*    C  20           H4*        C  20  69.372  35.787-103.907
  211    H3*    C  20           H3*        C  20  71.391  36.105-101.722
  212   1H2*    C  20          1H2*        C  20  72.138  38.123-102.437
  213   2HO*    C  20          2HO*        C  20  70.922  37.460-104.932
  214    H1*    C  20           H1*        C  20  69.813  39.186-103.362
  215   1H4     C  20          1H4         C  20  70.473  41.890 -97.716
  216   2H4     C  20          2H4         C  20  69.678  40.515 -96.979
  217    H5     C  20           H5         C  20  69.248  38.460 -98.164
  218    H6     C  20           H6         C  20  69.272  37.361-100.363
  219   1H5*    C  21          1H5*        C  21  75.081  35.630-104.478
  220   2H5*    C  21          2H5*        C  21  73.883  36.891-104.062
  221    H4*    C  21           H4*        C  21  76.237  37.682-103.934
  222    H3*    C  21           H3*        C  21  76.392  35.412-101.987
  223   1H2*    C  21          1H2*        C  21  77.658  36.613-100.487
  224   2HO*    C  21          2HO*        C  21  78.379  38.186-102.739
  225    H1*    C  21           H1*        C  21  76.736  39.201-101.161
  226   1H4     C  21          1H4         C  21  75.171  37.580 -95.163
  227   2H4     C  21          2H4         C  21  73.509  37.638 -95.705
  228    H5     C  21           H5         C  21  72.890  37.871 -98.008
  229    H6     C  21           H6         C  21  73.695  38.094-100.320
  230   1H5*    U  22          1H5*        U  22  80.396  36.529-104.643
  231   2H5*    U  22          2H5*        U  22  81.174  37.684-103.516
  232    H4*    U  22           H4*        U  22  82.908  35.956-103.023
  233    H3*    U  22           H3*        U  22  82.686  37.596-105.284
  234   1H2*    U  22          1H2*        U  22  82.231  36.055-106.880
  235   2HO*    U  22          2HO*        U  22  84.334  36.522-107.460
  236    H1*    U  22           H1*        U  22  83.623  33.774-105.567
  237    H3     U  22           H3         U  22  81.486  32.760-109.679
  238    H5     U  22           H5         U  22  78.827  32.026-106.493
  239    H6     U  22           H6         U  22  80.358  33.204-105.028
  240   1H5*    U  23          1H5*        U  23  85.693  35.667-107.066
  241   2H5*    U  23          2H5*        U  23  86.624  36.933-107.921
  242    H4*    U  23           H4*        U  23  87.716  34.770-108.187
  243    H3*    U  23           H3*        U  23  87.390  34.682-105.210
  244   1H2*    U  23          1H2*        U  23  89.403  33.601-104.890
  245   2HO*    U  23          2HO*        U  23  89.493  33.134-107.699
  246    H1*    U  23           H1*        U  23  90.866  34.915-106.763
  247    H3     U  23           H3         U  23  92.084  35.716-102.353
  248    H5     U  23           H5         U  23  89.494  38.823-103.540
  249    H6     U  23           H6         U  23  88.982  37.538-105.536
  250   1H5*    U  24          1H5*        U  24  87.146  30.268-104.358
  251   2H5*    U  24          2H5*        U  24  88.359  31.417-104.991
  252    H4*    U  24           H4*        U  24  88.914  30.141-102.822
  253    H3*    U  24           H3*        U  24  86.799  32.069-101.885
  254   1H2*    U  24          1H2*        U  24  87.928  32.406 -99.920
  255   2HO*    U  24          2HO*        U  24  88.214  30.132 -99.495
  256    H1*    U  24           H1*        U  24  90.508  32.116-100.948
  257    H3     U  24           H3         U  24  90.124  36.079 -98.737
  258    H5     U  24           H5         U  24  88.177  36.720-102.413
  259    H6     U  24           H6         U  24  88.482  34.367-102.918
  260   1H5*    U  25          1H5*        U  25  84.149  29.160 -98.491
  261   2H5*    U  25          2H5*        U  25  85.802  28.842 -98.989
  262    H4*    U  25           H4*        U  25  85.939  29.358 -96.699
  263    H3*    U  25           H3*        U  25  84.041  31.619 -97.332
  264   1H2*    U  25          1H2*        U  25  84.909  32.802 -95.516
  265   2HO*    U  25          2HO*        U  25  86.279  31.757 -93.975
  266    H1*    U  25           H1*        U  25  87.500  31.985 -95.805
  267    H3     U  25           H3         U  25  87.425  36.502 -96.136
  268    H5     U  25           H5         U  25  86.605  35.063-100.009
  269    H6     U  25           H6         U  25  86.300  32.850 -99.053
  270   1H5*    C  26          1H5*        C  26  81.087  31.067 -93.178
  271   2H5*    C  26          2H5*        C  26  82.718  30.558 -93.593
  272    H4*    C  26           H4*        C  26  82.956  32.329 -92.034
  273    H3*    C  26           H3*        C  26  80.829  33.649 -93.696
  274   1H2*    C  26          1H2*        C  26  81.696  35.743 -93.284
  275   2HO*    C  26          2HO*        C  26  83.286  36.011 -91.540
  276    H1*    C  26           H1*        C  26  84.370  35.016 -93.044
  277   1H4     C  26          1H4         C  26  84.368  38.309 -98.403
  278   2H4     C  26          2H4         C  26  83.999  36.846 -99.292
  279    H5     C  26           H5         C  26  83.306  34.791 -98.226
  280    H6     C  26           H6         C  26  82.987  33.652 -96.082
  281   1H5*    C  27          1H5*        C  27  77.792  36.123 -91.369
  282   2H5*    C  27          2H5*        C  27  77.832  36.232 -89.596
  283    H4*    C  27           H4*        C  27  79.297  38.048 -89.633
  284    H3*    C  27           H3*        C  27  77.420  38.137 -91.985
  285   1H2*    C  27          1H2*        C  27  78.411  40.017 -92.848
  286   2HO*    C  27          2HO*        C  27  79.630  41.444 -91.569
  287    H1*    C  27           H1*        C  27  81.009  39.570 -91.876
  288   1H4     C  27          1H4         C  27  81.678  39.025 -98.097
  289   2H4     C  27          2H4         C  27  81.432  37.299 -97.942
  290    H5     C  27           H5         C  27  80.537  36.267 -95.953
  291    H6     C  27           H6         C  27  79.976  36.629 -93.591
  292   1H5*    G  28          1H5*        G  28  74.675  42.431 -90.067
  293   2H5*    G  28          2H5*        G  28  76.244  41.877 -89.496
  294    H4*    G  28           H4*        G  28  76.661  44.053 -90.276
  295    H3*    G  28           H3*        G  28  74.685  43.330 -92.416
  296   1H2*    G  28          1H2*        G  28  75.772  44.518 -94.058
  297   2HO*    G  28          2HO*        G  28  77.036  45.883 -91.900
  298    H1*    G  28           H1*        G  28  78.372  44.119 -93.281
  299    H8     G  28           H8         G  28  76.442  40.885 -93.151
  300    H1     G  28           H1         G  28  78.640  42.294 -98.960
  301   1H2     G  28          1H2         G  28  79.095  45.500 -97.691
  302   2H2     G  28          2H2         G  28  79.228  44.422 -99.063
  303   1H5*    A  29          1H5*        A  29  73.880  48.556 -92.769
  304   2H5*    A  29          2H5*        A  29  75.108  47.484 -92.110
  305    H4*    A  29           H4*        A  29  76.152  48.651 -93.887
  306    H3*    A  29           H3*        A  29  73.594  48.072 -95.371
  307   1H2*    A  29          1H2*        A  29  74.733  47.959 -97.397
  308   2HO*    A  29          2HO*        A  29  76.790  49.344 -96.006
  309    H1*    A  29           H1*        A  29  77.042  46.773 -96.461
  310    H8     A  29           H8         A  29  74.053  44.924 -95.125
  311   1H6     A  29          1H6         A  29  74.259  41.614-100.320
  312   2H6     A  29          2H6         A  29  73.658  41.668 -98.676
  313    H2     A  29           H2         A  29  76.781  45.287-100.900
  314   1H5*    G  30          1H5*        G  30  73.083  51.905 -98.426
  315   2H5*    G  30          2H5*        G  30  74.561  51.278 -97.708
  316    H4*    G  30           H4*        G  30  74.610  50.644 -99.997
  317    H3*    G  30           H3*        G  30  71.723  49.960 -99.525
  318   1H2*    G  30          1H2*        G  30  71.800  48.155-100.992
  319   2HO*    G  30          2HO*        G  30  73.709  47.837-102.332
  320    H1*    G  30           H1*        G  30  74.243  47.183-100.341
  321    H8     G  30           H8         G  30  72.389  48.242 -97.190
  322    H1     G  30           H1         G  30  70.879  42.449 -99.340
  323   1H2     G  30          1H2         G  30  72.357  43.515-102.303
  324   2H2     G  30          2H2         G  30  71.530  42.234-101.445
  325   1H5*    G  31          1H5*        G  31  70.488  51.490-104.482
  326   2H5*    G  31          2H5*        G  31  71.977  51.034-103.663
  327    H4*    G  31           H4*        G  31  71.478  49.294-105.221
  328    H3*    G  31           H3*        G  31  68.709  49.636-104.140
  329   1H2*    G  31          1H2*        G  31  68.225  47.369-104.269
  330   2HO*    G  31          2HO*        G  31  69.735  45.955-105.456
  331    H1*    G  31           H1*        G  31  70.698  46.372-103.585
  332    H8     G  31           H8         G  31  69.709  49.201-101.276
  333    H1     G  31           H1         G  31  67.375  43.551 -99.476
  334   1H2     G  31          1H2         G  31  68.097  42.523-102.702
  335   2H2     G  31          2H2         G  31  67.442  42.122-101.133
  336   1H5*    G  32          1H5*        G  32  67.599  46.837-108.107
  337   2H5*    G  32          2H5*        G  32  68.825  47.348-106.950
  338    H4*    G  32           H4*        G  32  68.379  45.143-106.339
  339    H3*    G  32           H3*        G  32  65.498  45.803-106.910
  340   1H2*    G  32          1H2*        G  32  64.777  44.339-105.254
  341   2HO*    G  32          2HO*        G  32  67.097  43.006-106.008
  342    H1*    G  32           H1*        G  32  67.091  44.456-103.632
  343    H8     G  32           H8         G  32  65.548  47.845-103.789
  344    H1     G  32           H1         G  32  62.777  43.926 -99.608
  345   1H2     G  32          1H2         G  32  64.298  41.399-101.461
  346   2H2     G  32          2H2         G  32  63.270  41.823-100.111
  347   1H5*    U  33          1H5*        U  33  66.894  42.879-110.940
  348   2H5*    U  33          2H5*        U  33  65.620  41.729-110.436
  349    H4*    U  33           H4*        U  33  65.463  42.068-112.825
  350    H3*    U  33           H3*        U  33  66.340  44.669-112.287
  351   1H2*    U  33          1H2*        U  33  64.377  45.686-111.793
  352   2HO*    U  33          2HO*        U  33  63.283  46.398-113.698
  353    H1*    U  33           H1*        U  33  62.636  43.918-113.442
  354    H3     U  33           H3         U  33  60.135  47.115-111.088
  355    H5     U  33           H5         U  33  60.827  43.840-108.525
  356    H6     U  33           H6         U  33  62.427  42.997-110.142
  357   1H5*    C  34          1H5*        C  34  68.239  42.010-114.521
  358   2H5*    C  34          2H5*        C  34  69.123  43.004-115.719
  359    H4*    C  34           H4*        C  34  70.777  41.721-114.566
  360    H3*    C  34           H3*        C  34  69.146  42.416-112.150
  361   1H2*    C  34          1H2*        C  34  70.937  42.776-110.796
  362   2HO*    C  34          2HO*        C  34  73.029  41.967-111.294
  363    H1*    C  34           H1*        C  34  72.723  43.857-112.578
  364   1H4     C  34          1H4         C  34  68.476  47.745-109.254
  365   2H4     C  34          2H4         C  34  70.083  48.197-108.734
  366    H5     C  34           H5         C  34  68.067  46.094-111.006
  367    H6     C  34           H6         C  34  69.089  44.441-112.448
  368   1H5*    A  35          1H5*        A  35  72.176  38.135-111.096
  369   2H5*    A  35          2H5*        A  35  71.734  39.577-112.052
  370    H4*    A  35           H4*        A  35  73.624  40.335-111.032
  371    H3*    A  35           H3*        A  35  73.345  38.160-109.271
  372   1H2*    A  35          1H2*        A  35  72.381  39.182-107.500
  373   2HO*    A  35          2HO*        A  35  73.930  40.265-106.172
  374    H1*    A  35           H1*        A  35  73.382  41.920-108.071
  375    H8     A  35           H8         A  35  69.962  41.420-109.015
  376   1H6     A  35          1H6         A  35  67.674  42.842-105.026
  377   2H6     A  35          2H6         A  35  68.168  43.007-103.361
  378    H2     A  35           H2         A  35  72.515  41.877-103.159
  379   1H5*    U  36          1H5*        U  36  78.682  40.076-109.141
  380   2H5*    U  36          2H5*        U  36  77.087  40.475-109.750
  381    H4*    U  36           H4*        U  36  77.805  42.456-108.778
  382    H3*    U  36           H3*        U  36  78.977  40.710-106.625
  383   1H2*    U  36          1H2*        U  36  78.747  42.411-105.082
  384   2HO*    U  36          2HO*        U  36  78.853  44.055-107.369
  385    H1*    U  36           H1*        U  36  76.470  43.602-106.171
  386    H3     U  36           H3         U  36  75.751  42.688-101.775
  387    H5     U  36           H5         U  36  74.773  39.194-103.905
  388    H6     U  36           H6         U  36  75.820  40.150-105.856
  389   1H5*    C  37          1H5*        C  37  82.845  44.242-106.686
  390   2H5*    C  37          2H5*        C  37  81.214  43.924-107.268
  391    H4*    C  37           H4*        C  37  81.054  45.462-105.445
  392    H3*    C  37           H3*        C  37  82.823  43.489-104.001
  393   1H2*    C  37          1H2*        C  37  81.796  44.024-101.997
  394   2HO*    C  37          2HO*        C  37  80.571  45.977-101.775
  395    H1*    C  37           H1*        C  37  79.278  44.667-103.053
  396   1H4     C  37          1H4         C  37  78.523  39.600 -99.373
  397   2H4     C  37          2H4         C  37  78.688  38.584-100.789
  398    H5     C  37           H5         C  37  79.481  39.401-102.913
  399    H6     C  37           H6         C  37  80.040  41.401-104.198
  400   1H5*    G  38          1H5*        G  38  85.818  47.701-102.060
  401   2H5*    G  38          2H5*        G  38  84.231  47.740-102.819
  402    H4*    G  38           H4*        G  38  83.962  48.731-100.674
  403    H3*    G  38           H3*        G  38  85.727  46.474 -99.796
  404   1H2*    G  38          1H2*        G  38  84.647  46.188 -97.781
  405   2HO*    G  38          2HO*        G  38  83.533  48.768 -98.276
  406    H1*    G  38           H1*        G  38  82.080  46.604 -98.605
  407    H8     G  38           H8         G  38  83.985  44.545-101.145
  408    H1     G  38           H1         G  38  81.600  41.108 -96.340
  409   1H2     G  38          1H2         G  38  81.244  44.168 -94.724
  410   2H2     G  38          2H2         G  38  81.048  42.431 -94.655
  411   1H5*    G  39          1H5*        G  39  88.397  48.330 -96.163
  412   2H5*    G  39          2H5*        G  39  86.786  48.705 -96.756
  413    H4*    G  39           H4*        G  39  86.510  47.382 -94.797
  414    H3*    G  39           H3*        G  39  88.579  45.586 -96.057
  415   1H2*    G  39          1H2*        G  39  87.613  43.739 -95.067
  416   2HO*    G  39          2HO*        G  39  86.455  45.612 -93.263
  417    H1*    G  39           H1*        G  39  84.981  44.656 -95.081
  418    H8     G  39           H8         G  39  86.371  44.722 -98.553
  419    H1     G  39           H1         G  39  84.654  38.885 -96.633
  420   1H2     G  39          1H2         G  39  84.436  38.847 -94.427
  421   2H2     G  39          2H2         G  39  84.705  40.263 -93.436
  422   1H5*    A  40          1H5*        A  40  91.575  45.099 -91.484
  423   2H5*    A  40          2H5*        A  40  89.937  45.738 -91.480
  424    H4*    A  40           H4*        A  40  89.866  43.924 -89.984
  425    H3*    A  40           H3*        A  40  91.675  42.605 -91.982
  426   1H2*    A  40          1H2*        A  40  90.791  40.500 -91.590
  427   2HO*    A  40          2HO*        A  40  89.831  41.673 -89.202
  428    H1*    A  40           H1*        A  40  88.172  41.173 -91.351
  429    H8     A  40           H8         A  40  89.705  43.177 -94.143
  430   1H6     A  40          1H6         A  40  88.114  38.504 -97.836
  431   2H6     A  40          2H6         A  40  88.544  40.199 -97.775
  432    H2     A  40           H2         A  40  87.940  37.049 -93.593
  433   1H5*    A  41          1H5*        A  41  93.163  39.243 -88.604
  434   2H5*    A  41          2H5*        A  41  91.565  39.993 -88.868
  435    H4*    A  41           H4*        A  41  91.414  37.569 -89.074
  436    H3*    A  41           H3*        A  41  93.636  37.958 -91.057
  437   1H2*    A  41          1H2*        A  41  92.800  36.294 -92.422
  438   2HO*    A  41          2HO*        A  41  91.404  34.678 -91.631
  439    H1*    A  41           H1*        A  41  90.103  36.595 -91.794
  440    H8     A  41           H8         A  41  92.075  39.620 -93.062
  441   1H6     A  41          1H6         A  41  91.401  39.017 -97.797
  442   2H6     A  41          2H6         A  41  90.717  37.720 -98.751
  443    H2     A  41           H2         A  41  89.392  34.543 -95.859
  444   1H5*    C  42          1H5*        C  42  95.828  33.528 -90.107
  445   2H5*    C  42          2H5*        C  42  94.096  33.780 -90.466
  446    H4*    C  42           H4*        C  42  95.214  32.089 -91.934
  447    H3*    C  42           H3*        C  42  96.893  34.486 -92.590
  448   1H2*    C  42          1H2*        C  42  96.893  34.044 -94.811
  449   2HO*    C  42          2HO*        C  42  96.470  31.966 -95.660
  450    H1*    C  42           H1*        C  42  94.456  32.809 -95.063
  451   1H4     C  42          1H4         C  42  93.728  38.407 -97.929
  452   2H4     C  42          2H4         C  42  94.150  39.274 -96.469
  453    H5     C  42           H5         C  42  94.774  38.179 -94.421
  454    H6     C  42           H6         C  42  95.116  36.013 -93.317
  455   1H5*    C  43          1H5*        C  43 100.299  31.335 -94.586
  456   2H5*    C  43          2H5*        C  43  98.513  31.341 -94.678
  457    H4*    C  43           H4*        C  43  99.665  31.291 -96.906
  458    H3*    C  43           H3*        C  43 100.742  33.874 -95.833
  459   1H2*    C  43          1H2*        C  43 100.491  34.970 -97.826
  460   2HO*    C  43          2HO*        C  43 100.335  32.424 -99.103
  461    H1*    C  43           H1*        C  43  98.271  33.554 -98.815
  462   1H4     C  43          1H4         C  43  96.222  39.403 -97.412
  463   2H4     C  43          2H4         C  43  96.543  39.157 -95.710
  464    H5     C  43           H5         C  43  97.551  37.153 -94.834
  465    H6     C  43           H6         C  43  98.414  34.923 -95.392
  466   1H5*    A  44          1H5*        A  44 105.365  32.764 -98.282
  467   2H5*    A  44          2H5*        A  44 103.729  32.562 -98.978
  468    H4*    A  44           H4*        A  44 105.180  33.781-100.523
  469    H3*    A  44           H3*        A  44 105.945  35.190 -98.087
  470   1H2*    A  44          1H2*        A  44 105.033  37.166 -98.503
  471   2HO*    A  44          2HO*        A  44 105.725  38.308-100.382
  472    H1*    A  44           H1*        A  44 104.062  36.658-101.245
  473    H8     A  44           H8         A  44 102.384  36.250 -97.813
  474   1H6     A  44          1H6         A  44  99.391  40.045 -98.046
  475   2H6     A  44          2H6         A  44  99.173  41.321 -99.223
  476    H2     A  44           H2         A  44 102.146  40.583-102.512
  477    H3T    A  44           H3T        A  44 107.368  34.230 -99.635
   
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  60.568  35.886-109.771
    2   2H5*    G   1          2H5*        G   1  61.195  37.534-109.478
    3    H4*    G   1           H4*        G   1  60.975  35.666-107.550
    4    H3*    G   1           H3*        G   1  58.253  36.760-107.935
    5   1H2*    G   1          1H2*        G   1  58.139  37.929-106.020
    6   2HO*    G   1          2HO*        G   1  59.483  35.839-104.629
    7    H1*    G   1           H1*        G   1  60.825  37.300-104.992
    8    H8     G   1           H8         G   1  60.608  40.192-107.220
    9    H1     G   1           H1         G   1  59.158  41.744-101.225
   10   1H2     G   1          1H2         G   1  58.867  38.318-100.766
   11   2H2     G   1          2H2         G   1  58.750  39.919-100.069
   12    H5T    G   1           H5T        G   1  59.028  38.213-109.214
   13   1H5*    G   2          1H5*        G   2  57.615  32.287-104.658
   14   2H5*    G   2          2H5*        G   2  59.205  32.303-103.903
   15    H4*    G   2           H4*        G   2  57.724  32.005-102.101
   16    H3*    G   2           H3*        G   2  55.984  33.905-103.630
   17   1H2*    G   2          1H2*        G   2  55.178  34.948-101.766
   18   2HO*    G   2          2HO*        G   2  55.952  32.587-100.380
   19    H1*    G   2           H1*        G   2  57.375  34.723-100.100
   20    H8     G   2           H8         G   2  58.403  36.137-103.401
   21    H1     G   2           H1         G   2  55.675  40.496 -99.678
   22   1H2     G   2          1H2         G   2  54.594  37.852 -97.740
   23   2H2     G   2          2H2         G   2  54.646  39.590 -97.992
   24   1H5*    G   3          1H5*        G   3  51.455  31.843-101.915
   25   2H5*    G   3          2H5*        G   3  53.100  31.747-101.291
   26    H4*    G   3           H4*        G   3  51.968  33.156 -99.761
   27    H3*    G   3           H3*        G   3  50.650  34.182-102.237
   28   1H2*    G   3          1H2*        G   3  50.620  36.362-101.569
   29   2HO*    G   3          2HO*        G   3  50.921  36.877 -99.266
   30    H1*    G   3           H1*        G   3  52.838  36.385 -99.915
   31    H8     G   3           H8         G   3  53.641  35.135-103.368
   32    H1     G   3           H1         G   3  53.605  41.486-102.848
   33   1H2     G   3          1H2         G   3  51.826  40.921 -99.912
   34   2H2     G   3          2H2         G   3  52.515  42.090-101.016
   35   1H5*    A   4          1H5*        A   4  46.090  35.129 -99.149
   36   2H5*    A   4          2H5*        A   4  47.660  34.768 -98.446
   37    H4*    A   4           H4*        A   4  47.058  36.752 -97.370
   38    H3*    A   4           H3*        A   4  45.805  37.448-100.002
   39   1H2*    A   4          1H2*        A   4  46.206  39.716 -99.772
   40   2HO*    A   4          2HO*        A   4  46.643  39.101 -97.025
   41    H1*    A   4           H1*        A   4  48.685  39.594 -98.662
   42    H8     A   4           H8         A   4  48.414  36.988-101.337
   43   1H6     A   4          1H6         A   4  50.208  41.365-105.285
   44   2H6     A   4          2H6         A   4  50.049  39.642-105.034
   45    H2     A   4           H2         A   4  48.908  43.351-101.460
   46   1H5*    G   5          1H5*        G   5  41.494  39.853 -98.954
   47   2H5*    G   5          2H5*        G   5  42.874  39.833 -97.867
   48    H4*    G   5           H4*        G   5  42.889  42.027 -98.628
   49    H3*    G   5           H3*        G   5  41.848  40.841-101.172
   50   1H2*    G   5          1H2*        G   5  42.906  42.391-102.512
   51   2HO*    G   5          2HO*        G   5  42.549  44.002-100.275
   52    H1*    G   5           H1*        G   5  45.127  42.922-100.918
   53    H8     G   5           H8         G   5  44.803  39.251-101.486
   54    H1     G   5           H1         G   5  47.615  42.269-106.326
   55   1H2     G   5          1H2         G   5  47.160  44.435-106.282
   56   2H2     G   5          2H2         G   5  46.160  45.144-105.027
   57   1H5*    C   6          1H5*        C   6  38.517  44.369-101.775
   58   2H5*    C   6          2H5*        C   6  40.263  44.417-102.175
   59    H4*    C   6           H4*        C   6  38.909  45.264-104.048
   60    H3*    C   6           H3*        C   6  37.472  42.681-103.590
   61   1H2*    C   6          1H2*        C   6  37.303  42.135-105.798
   62   2HO*    C   6          2HO*        C   6  36.428  44.197-106.401
   63    H1*    C   6           H1*        C   6  39.652  43.243-106.754
   64   1H4     C   6          1H4         C   6  40.628  36.969-106.393
   65   2H4     C   6          2H4         C   6  40.746  37.057-104.650
   66    H5     C   6           H5         C   6  40.383  39.085-103.402
   67    H6     C   6           H6         C   6  39.812  41.465-103.558
   68   1H5*    U   7          1H5*        U   7  33.045  43.915-105.405
   69   2H5*    U   7          2H5*        U   7  34.753  44.199-105.856
   70    H4*    U   7           H4*        U   7  33.817  42.631-107.430
   71    H3*    U   7           H3*        U   7  32.733  41.362-104.950
   72   1H2*    U   7          1H2*        U   7  33.140  39.219-105.632
   73   2HO*    U   7          2HO*        U   7  33.347  38.682-107.851
   74    H1*    U   7           H1*        U   7  35.339  39.692-107.324
   75    H3     U   7           H3         U   7  37.058  36.632-104.537
   76    H5     U   7           H5         U   7  36.288  39.911-102.004
   77    H6     U   7           H6         U   7  35.235  41.030-103.875
   78   1H5*    C   8          1H5*        C   8  29.766  39.013-105.041
   79   2H5*    C   8          2H5*        C   8  28.129  39.102-105.760
   80    H4*    C   8           H4*        C   8  29.094  36.900-106.153
   81    H3*    C   8           H3*        C   8  31.487  38.436-106.637
   82   1H2*    C   8          1H2*        C   8  31.646  38.322-108.849
   83   2HO*    C   8          2HO*        C   8  31.324  35.507-108.507
   84    H1*    C   8           H1*        C   8  29.491  36.438-109.444
   85   1H4     C   8          1H4         C   8  29.206  40.577-114.202
   86   2H4     C   8          2H4         C   8  29.465  41.917-113.108
   87    H5     C   8           H5         C   8  29.782  41.625-110.731
   88    H6     C   8           H6         C   8  29.948  40.033-108.908
   89   1H5*    A   9          1H5*        A   9  34.211  33.789-106.967
   90   2H5*    A   9          2H5*        A   9  32.651  33.744-107.838
   91    H4*    A   9           H4*        A   9  34.562  32.820-109.154
   92    H3*    A   9           H3*        A   9  35.596  35.585-108.654
   93   1H2*    A   9          1H2*        A   9  36.368  35.850-110.792
   94   2HO*    A   9          2HO*        A   9  36.231  33.020-111.103
   95    H1*    A   9           H1*        A   9  34.495  34.308-112.148
   96    H8     A   9           H8         A   9  32.283  36.535-110.481
   97   1H6     A   9          1H6         A   9  34.472  41.355-113.633
   98   2H6     A   9          2H6         A   9  33.165  40.778-112.624
   99    H2     A   9           H2         A   9  37.357  37.940-114.117
  100   1H5*    A  10          1H5*        A  10  40.606  33.157-108.379
  101   2H5*    A  10          2H5*        A  10  39.070  32.620-109.127
  102    H4*    A  10           H4*        A  10  40.585  32.587-110.920
  103    H3*    A  10           H3*        A  10  41.787  34.984-109.590
  104   1H2*    A  10          1H2*        A  10  42.289  36.046-111.560
  105   2HO*    A  10          2HO*        A  10  43.286  34.134-112.478
  106    H1*    A  10           H1*        A  10  40.153  35.277-113.092
  107    H8     A  10           H8         A  10  38.754  36.351-109.814
  108   1H6     A  10          1H6         A  10  39.736  42.197-111.476
  109   2H6     A  10          2H6         A  10  38.919  41.149-110.338
  110    H2     A  10           H2         A  10  41.943  39.528-114.341
  111   1H5*    C  11          1H5*        C  11  46.537  34.286-111.406
  112   2H5*    C  11          2H5*        C  11  44.973  33.888-112.177
  113    H4*    C  11           H4*        C  11  46.049  35.575-113.516
  114    H3*    C  11           H3*        C  11  46.561  36.849-110.855
  115   1H2*    C  11          1H2*        C  11  46.147  38.976-111.595
  116   2HO*    C  11          2HO*        C  11  46.493  38.005-114.250
  117    H1*    C  11           H1*        C  11  44.220  38.460-113.489
  118   1H4     C  11          1H4         C  11  41.592  39.533-107.499
  119   2H4     C  11          2H4         C  11  41.252  40.953-108.460
  120    H5     C  11           H5         C  11  42.888  37.671-108.306
  121    H6     C  11           H6         C  11  44.170  36.785-110.195
  122   1H5*    U  12          1H5*        U  12  50.472  39.398-113.508
  123   2H5*    U  12          2H5*        U  12  48.942  38.843-114.249
  124    H4*    U  12           H4*        U  12  49.365  41.189-114.802
  125    H3*    U  12           H3*        U  12  49.703  41.397-111.836
  126   1H2*    U  12          1H2*        U  12  48.575  43.388-111.677
  127   2HO*    U  12          2HO*        U  12  48.288  44.761-113.493
  128    H1*    U  12           H1*        U  12  46.775  43.052-113.796
  129    H3     U  12           H3         U  12  43.653  43.245-110.611
  130    H5     U  12           H5         U  12  46.346  40.387-109.077
  131    H6     U  12           H6         U  12  47.730  40.735-111.042
  132   1H5*    C  13          1H5*        C  13  52.892  45.516-112.187
  133   2H5*    C  13          2H5*        C  13  51.753  44.731-113.274
  134    H4*    C  13           H4*        C  13  50.628  46.655-112.542
  135    H3*    C  13           H3*        C  13  51.945  46.138-109.898
  136   1H2*    C  13          1H2*        C  13  50.059  46.716-108.660
  137   2HO*    C  13          2HO*        C  13  49.704  48.411-110.739
  138    H1*    C  13           H1*        C  13  48.077  45.791-110.252
  139   1H4     C  13          1H4         C  13  48.533  40.767-106.510
  140   2H4     C  13          2H4         C  13  49.592  40.041-107.697
  141    H5     C  13           H5         C  13  50.630  41.290-109.470
  142    H6     C  13           H6         C  13  50.678  43.434-110.642
  143   1H5*    U  14          1H5*        U  14  53.224  49.434-107.444
  144   2H5*    U  14          2H5*        U  14  52.193  50.858-107.440
  145    H4*    U  14           H4*        U  14  51.138  50.130-105.583
  146    H3*    U  14           H3*        U  14  53.173  47.874-105.832
  147   1H2*    U  14          1H2*        U  14  52.139  46.867-103.954
  148   2HO*    U  14          2HO*        U  14  50.281  48.110-103.007
  149    H1*    U  14           H1*        U  14  49.587  47.373-104.753
  150    H3     U  14           H3         U  14  50.201  42.926-104.495
  151    H5     U  14           H5         U  14  52.071  43.976-108.113
  152    H6     U  14           H6         U  14  51.838  46.293-107.493
  153   1H5*    C  15          1H5*        C  15  54.127  50.470-101.124
  154   2H5*    C  15          2H5*        C  15  53.145  50.242-102.571
  155    H4*    C  15           H4*        C  15  52.043  49.269-100.621
  156    H3*    C  15           H3*        C  15  54.690  47.884-100.339
  157   1H2*    C  15          1H2*        C  15  53.707  45.909 -99.683
  158   2HO*    C  15          2HO*        C  15  51.495  47.540 -98.997
  159    H1*    C  15           H1*        C  15  51.398  46.058-101.150
  160   1H4     C  15          1H4         C  15  54.769  41.654-104.158
  161   2H4     C  15          2H4         C  15  55.494  42.909-105.140
  162    H5     C  15           H5         C  15  55.330  45.259-104.602
  163    H6     C  15           H6         C  15  54.184  46.915-103.226
  164   1H5*    C  16          1H5*        C  16  54.372  47.775 -95.119
  165   2H5*    C  16          2H5*        C  16  53.148  47.828 -96.379
  166    H4*    C  16           H4*        C  16  52.945  45.765 -95.132
  167    H3*    C  16           H3*        C  16  55.854  45.402 -95.869
  168   1H2*    C  16          1H2*        C  16  55.499  43.063 -95.814
  169   2HO*    C  16          2HO*        C  16  52.852  43.595 -94.887
  170    H1*    C  16           H1*        C  16  53.149  43.130 -97.162
  171   1H4     C  16          1H4         C  16  57.649  43.793-101.901
  172   2H4     C  16          2H4         C  16  57.441  42.069-101.702
  173    H5     C  16           H5         C  16  56.646  45.416-100.455
  174    H6     C  16           H6         C  16  55.250  45.751 -98.458
  175   1H5*    C  17          1H5*        C  17  57.394  42.457 -92.225
  176   2H5*    C  17          2H5*        C  17  55.780  42.953 -92.720
  177    H4*    C  17           H4*        C  17  55.975  40.843 -93.679
  178    H3*    C  17           H3*        C  17  58.844  41.613 -94.132
  179   1H2*    C  17          1H2*        C  17  58.996  40.271 -96.001
  180   2HO*    C  17          2HO*        C  17  57.347  38.632 -96.389
  181    H1*    C  17           H1*        C  17  56.318  40.492 -96.819
  182   1H4     C  17          1H4         C  17  59.351  44.950-100.487
  183   2H4     C  17          2H4         C  17  59.501  43.447-101.379
  184    H5     C  17           H5         C  17  58.628  45.057 -98.174
  185    H6     C  17           H6         C  17  57.686  43.774 -96.309
  186   1H5*    C  18          1H5*        C  18  61.402  37.626 -93.129
  187   2H5*    C  18          2H5*        C  18  59.722  37.909 -93.572
  188    H4*    C  18           H4*        C  18  60.796  37.445 -95.606
  189    H3*    C  18           H3*        C  18  63.031  39.135 -94.507
  190   1H2*    C  18          1H2*        C  18  63.591  39.908 -96.617
  191   2HO*    C  18          2HO*        C  18  62.961  38.750 -98.505
  192    H1*    C  18           H1*        C  18  61.035  39.686 -97.788
  193   1H4     C  18          1H4         C  18  62.150  45.847 -97.978
  194   2H4     C  18          2H4         C  18  61.355  46.021 -96.427
  195    H5     C  18           H5         C  18  60.833  44.145 -94.996
  196    H6     C  18           H6         C  18  60.778  41.691 -94.840
  197   1H5*    C  19          1H5*        C  19  66.038  35.464 -97.428
  198   2H5*    C  19          2H5*        C  19  64.300  35.723 -97.463
  199    H4*    C  19           H4*        C  19  64.826  35.899 -99.705
  200    H3*    C  19           H3*        C  19  67.436  37.039 -98.743
  201   1H2*    C  19          1H2*        C  19  67.700  38.306-100.661
  202   2HO*    C  19          2HO*        C  19  66.340  37.943-102.516
  203    H1*    C  19           H1*        C  19  65.103  39.016-101.043
  204   1H4     C  19          1H4         C  19  67.469  44.188 -98.310
  205   2H4     C  19          2H4         C  19  67.084  43.517 -96.738
  206    H5     C  19           H5         C  19  66.447  41.208 -96.401
  207    H6     C  19           H6         C  19  65.854  39.106 -97.514
  208   1H5*    C  20          1H5*        C  20  69.437  34.397-103.860
  209   2H5*    C  20          2H5*        C  20  67.796  34.913-104.088
  210    H4*    C  20           H4*        C  20  68.857  36.825-104.621
  211    H3*    C  20           H3*        C  20  70.985  36.182-102.594
  212   1H2*    C  20          1H2*        C  20  71.695  38.387-102.858
  213   2HO*    C  20          2HO*        C  20  70.026  38.506-105.175
  214    H1*    C  20           H1*        C  20  69.141  39.376-103.343
  215   1H4     C  20          1H4         C  20  70.877  42.037 -97.923
  216   2H4     C  20          2H4         C  20  70.427  40.585 -97.053
  217    H5     C  20           H5         C  20  69.877  38.514 -98.163
  218    H6     C  20           H6         C  20  69.432  37.448-100.322
  219   1H5*    C  21          1H5*        C  21  74.221  36.329-106.366
  220   2H5*    C  21          2H5*        C  21  73.033  37.352-105.506
  221    H4*    C  21           H4*        C  21  75.178  38.513-105.755
  222    H3*    C  21           H3*        C  21  76.193  35.977-104.540
  223   1H2*    C  21          1H2*        C  21  77.674  37.035-103.151
  224   2HO*    C  21          2HO*        C  21  78.635  38.229-104.881
  225    H1*    C  21           H1*        C  21  76.298  39.474-102.830
  226   1H4     C  21          1H4         C  21  76.613  36.037 -97.404
  227   2H4     C  21          2H4         C  21  74.870  35.928 -97.510
  228    H5     C  21           H5         C  21  73.626  36.645 -99.429
  229    H6     C  21           H6         C  21  73.737  37.680-101.653
  230   1H5*    U  22          1H5*        U  22  80.232  36.124-108.026
  231   2H5*    U  22          2H5*        U  22  80.541  37.736-107.312
  232    H4*    U  22           H4*        U  22  82.231  36.752-105.820
  233    H3*    U  22           H3*        U  22  82.464  37.103-108.607
  234   1H2*    U  22          1H2*        U  22  82.665  34.946-109.274
  235   2HO*    U  22          2HO*        U  22  84.813  34.197-109.136
  236    H1*    U  22           H1*        U  22  83.801  33.905-106.728
  237    H3     U  22           H3         U  22  83.206  30.560-109.988
  238    H5     U  22           H5         U  22  79.621  30.971-107.811
  239    H6     U  22           H6         U  22  80.514  33.007-106.846
  240   1H5*    U  23          1H5*        U  23  85.942  35.385-108.601
  241   2H5*    U  23          2H5*        U  23  87.087  36.220-109.694
  242    H4*    U  23           H4*        U  23  88.162  34.371-108.420
  243    H3*    U  23           H3*        U  23  87.025  35.929-106.153
  244   1H2*    U  23          1H2*        U  23  88.889  35.895-104.878
  245   2HO*    U  23          2HO*        U  23  89.766  33.637-106.370
  246    H1*    U  23           H1*        U  23  90.839  35.679-106.841
  247    H3     U  23           H3         U  23  92.208  39.466-104.865
  248    H5     U  23           H5         U  23  88.330  40.433-106.206
  249    H6     U  23           H6         U  23  88.085  38.132-106.944
  250   1H5*    U  24          1H5*        U  24  86.316  30.731-104.575
  251   2H5*    U  24          2H5*        U  24  87.610  31.652-105.393
  252    H4*    U  24           H4*        U  24  88.397  30.100-103.574
  253    H3*    U  24           H3*        U  24  86.664  31.954-101.983
  254   1H2*    U  24          1H2*        U  24  88.137  32.026-100.231
  255   2HO*    U  24          2HO*        U  24  89.397  29.713-101.326
  256    H1*    U  24           H1*        U  24  90.490  31.833-101.677
  257    H3     U  24           H3         U  24  90.298  35.649 -99.129
  258    H5     U  24           H5         U  24  88.179  36.533-102.661
  259    H6     U  24           H6         U  24  88.391  34.188-103.299
  260   1H5*    U  25          1H5*        U  25  84.188  28.930 -98.844
  261   2H5*    U  25          2H5*        U  25  85.854  28.765 -99.382
  262    H4*    U  25           H4*        U  25  85.858  29.393 -97.063
  263    H3*    U  25           H3*        U  25  84.010  31.594 -97.978
  264   1H2*    U  25          1H2*        U  25  84.851  32.976 -96.286
  265   2HO*    U  25          2HO*        U  25  85.897  30.564 -95.212
  266    H1*    U  25           H1*        U  25  87.444  32.222 -96.507
  267    H3     U  25           H3         U  25  87.160  36.603 -97.642
  268    H5     U  25           H5         U  25  86.307  34.469-101.174
  269    H6     U  25           H6         U  25  86.180  32.444 -99.847
  270   1H5*    C  26          1H5*        C  26  80.714  31.457 -94.006
  271   2H5*    C  26          2H5*        C  26  82.381  30.918 -94.159
  272    H4*    C  26           H4*        C  26  82.487  32.811 -92.768
  273    H3*    C  26           H3*        C  26  80.466  33.951 -94.674
  274   1H2*    C  26          1H2*        C  26  81.269  36.098 -94.369
  275   2HO*    C  26          2HO*        C  26  82.642  36.567 -92.514
  276    H1*    C  26           H1*        C  26  83.923  35.441 -93.796
  277   1H4     C  26          1H4         C  26  84.511  38.463 -99.265
  278   2H4     C  26          2H4         C  26  84.298  36.946-100.111
  279    H5     C  26           H5         C  26  83.512  34.932 -99.034
  280    H6     C  26           H6         C  26  82.948  33.895 -96.889
  281   1H5*    C  27          1H5*        C  27  77.552  36.863 -92.186
  282   2H5*    C  27          2H5*        C  27  77.747  36.936 -90.420
  283    H4*    C  27           H4*        C  27  79.335  38.634 -90.555
  284    H3*    C  27           H3*        C  27  77.303  38.902 -92.757
  285   1H2*    C  27          1H2*        C  27  78.384  40.684 -93.712
  286   2HO*    C  27          2HO*        C  27  79.182  41.136 -91.083
  287    H1*    C  27           H1*        C  27  81.007  40.017 -92.947
  288   1H4     C  27          1H4         C  27  81.081  39.349 -99.197
  289   2H4     C  27          2H4         C  27  80.699  37.653 -98.991
  290    H5     C  27           H5         C  27  79.896  36.727 -96.910
  291    H6     C  27           H6         C  27  79.588  37.162 -94.514
  292   1H5*    G  28          1H5*        G  28  75.253  43.497 -90.749
  293   2H5*    G  28          2H5*        G  28  76.803  42.789 -90.314
  294    H4*    G  28           H4*        G  28  77.383  44.875 -91.208
  295    H3*    G  28           H3*        G  28  75.116  44.350 -93.101
  296   1H2*    G  28          1H2*        G  28  76.140  45.397 -94.875
  297   2HO*    G  28          2HO*        G  28  77.809  46.620 -92.912
  298    H1*    G  28           H1*        G  28  78.756  44.738 -94.351
  299    H8     G  28           H8         G  28  76.511  41.720 -94.032
  300    H1     G  28           H1         G  28  78.295  42.947-100.024
  301   1H2     G  28          1H2         G  28  79.225  46.066 -98.793
  302   2H2     G  28          2H2         G  28  79.108  45.000-100.176
  303   1H5*    A  29          1H5*        A  29  74.620  49.512 -93.733
  304   2H5*    A  29          2H5*        A  29  75.886  48.445 -93.144
  305    H4*    A  29           H4*        A  29  76.735  49.329 -95.156
  306    H3*    A  29           H3*        A  29  73.952  48.854 -96.215
  307   1H2*    A  29          1H2*        A  29  74.796  48.570 -98.365
  308   2HO*    A  29          2HO*        A  29  77.011  49.151 -98.834
  309    H1*    A  29           H1*        A  29  77.160  47.316 -97.632
  310    H8     A  29           H8         A  29  74.305  45.573 -95.944
  311   1H6     A  29          1H6         A  29  73.826  42.224-101.108
  312   2H6     A  29          2H6         A  29  73.426  42.294 -99.404
  313    H2     A  29           H2         A  29  76.307  45.861-102.008
  314   1H5*    G  30          1H5*        G  30  72.697  52.319 -99.329
  315   2H5*    G  30          2H5*        G  30  74.364  51.857 -99.016
  316    H4*    G  30           H4*        G  30  73.891  50.968-101.142
  317    H3*    G  30           H3*        G  30  71.221  50.302 -99.939
  318   1H2*    G  30          1H2*        G  30  70.994  48.394-101.212
  319   2HO*    G  30          2HO*        G  30  72.451  48.014-103.024
  320    H1*    G  30           H1*        G  30  73.605  47.576-101.259
  321    H8     G  30           H8         G  30  72.509  48.501 -97.740
  322    H1     G  30           H1         G  30  70.870  42.638 -99.588
  323   1H2     G  30          1H2         G  30  71.491  43.829-102.798
  324   2H2     G  30          2H2         G  30  70.982  42.489-101.797
  325   1H5*    G  31          1H5*        G  31  69.221  52.065-104.808
  326   2H5*    G  31          2H5*        G  31  70.801  51.615-104.171
  327    H4*    G  31           H4*        G  31  70.215  50.067-105.937
  328    H3*    G  31           H3*        G  31  67.620  50.009-104.456
  329   1H2*    G  31          1H2*        G  31  67.301  47.732-104.760
  330   2HO*    G  31          2HO*        G  31  69.288  48.003-106.790
  331    H1*    G  31           H1*        G  31  69.879  46.891-104.441
  332    H8     G  31           H8         G  31  69.046  49.607-101.948
  333    H1     G  31           H1         G  31  67.383  43.790 -99.962
  334   1H2     G  31          1H2         G  31  67.792  42.829-103.241
  335   2H2     G  31          2H2         G  31  67.361  42.382-101.611
  336   1H5*    G  32          1H5*        G  32  66.133  47.412-108.425
  337   2H5*    G  32          2H5*        G  32  67.488  47.975-107.450
  338    H4*    G  32           H4*        G  32  67.342  45.727-106.881
  339    H3*    G  32           H3*        G  32  64.365  46.112-107.058
  340   1H2*    G  32          1H2*        G  32  63.984  44.555-105.370
  341   2HO*    G  32          2HO*        G  32  66.348  43.469-106.400
  342    H1*    G  32           H1*        G  32  66.481  44.807-104.061
  343    H8     G  32           H8         G  32  64.633  48.046-103.863
  344    H1     G  32           H1         G  32  62.856  43.777 -99.489
  345   1H2     G  32          1H2         G  32  64.315  41.449-101.629
  346   2H2     G  32          2H2         G  32  63.455  41.742-100.134
  347   1H5*    U  33          1H5*        U  33  65.527  43.291-111.297
  348   2H5*    U  33          2H5*        U  33  64.363  42.088-110.668
  349    H4*    U  33           H4*        U  33  63.933  42.423-113.018
  350    H3*    U  33           H3*        U  33  64.760  45.066-112.549
  351   1H2*    U  33          1H2*        U  33  62.797  46.009-111.918
  352   2HO*    U  33          2HO*        U  33  63.064  46.742-114.109
  353    H1*    U  33           H1*        U  33  61.020  44.129-113.395
  354    H3     U  33           H3         U  33  58.732  47.390-110.833
  355    H5     U  33           H5         U  33  59.395  43.967-108.464
  356    H6     U  33           H6         U  33  60.914  43.158-110.174
  357   1H5*    C  34          1H5*        C  34  66.570  42.456-114.873
  358   2H5*    C  34          2H5*        C  34  67.330  43.452-116.151
  359    H4*    C  34           H4*        C  34  69.105  42.239-115.104
  360    H3*    C  34           H3*        C  34  67.641  42.931-112.583
  361   1H2*    C  34          1H2*        C  34  69.521  43.368-111.371
  362   2HO*    C  34          2HO*        C  34  71.035  42.017-113.381
  363    H1*    C  34           H1*        C  34  71.124  44.479-113.302
  364   1H4     C  34          1H4         C  34  66.991  48.315-109.787
  365   2H4     C  34          2H4         C  34  68.614  48.855-109.418
  366    H5     C  34           H5         C  34  66.517  46.578-111.429
  367    H6     C  34           H6         C  34  67.488  44.918-112.897
  368   1H5*    A  35          1H5*        A  35  70.962  38.875-111.796
  369   2H5*    A  35          2H5*        A  35  70.342  40.311-112.655
  370    H4*    A  35           H4*        A  35  72.268  41.158-111.772
  371    H3*    A  35           H3*        A  35  72.257  38.922-110.069
  372   1H2*    A  35          1H2*        A  35  71.400  39.829-108.191
  373   2HO*    A  35          2HO*        A  35  72.992  40.990-106.971
  374    H1*    A  35           H1*        A  35  72.170  42.642-108.749
  375    H8     A  35           H8         A  35  68.748  42.033-109.451
  376   1H6     A  35          1H6         A  35  66.660  42.933-105.241
  377   2H6     A  35          2H6         A  35  67.230  42.969-103.593
  378    H2     A  35           H2         A  35  71.673  42.142-103.744
  379   1H5*    U  36          1H5*        U  36  77.464  41.082-110.281
  380   2H5*    U  36          2H5*        U  36  75.803  41.464-110.695
  381    H4*    U  36           H4*        U  36  76.596  43.394-109.656
  382    H3*    U  36           H3*        U  36  77.925  41.525-107.706
  383   1H2*    U  36          1H2*        U  36  77.815  43.141-106.063
  384   2HO*    U  36          2HO*        U  36  77.759  44.900-108.257
  385    H1*    U  36           H1*        U  36  75.440  44.350-106.904
  386    H3     U  36           H3         U  36  75.089  43.201-102.535
  387    H5     U  36           H5         U  36  73.910  39.847-104.783
  388    H6     U  36           H6         U  36  74.851  40.887-106.744
  389   1H5*    C  37          1H5*        C  37  82.041  44.783-108.028
  390   2H5*    C  37          2H5*        C  37  80.347  44.639-108.487
  391    H4*    C  37           H4*        C  37  80.465  46.040-106.557
  392    H3*    C  37           H3*        C  37  82.156  43.825-105.390
  393   1H2*    C  37          1H2*        C  37  81.341  44.338-103.280
  394   2HO*    C  37          2HO*        C  37  80.830  46.884-104.421
  395    H1*    C  37           H1*        C  37  78.833  45.296-104.115
  396   1H4     C  37          1H4         C  37  77.783  40.275-100.465
  397   2H4     C  37          2H4         C  37  77.714  39.272-101.899
  398    H5     C  37           H5         C  37  78.421  40.039-104.081
  399    H6     C  37           H6         C  37  79.129  41.988-105.381
  400   1H5*    G  38          1H5*        G  38  85.661  47.734-103.564
  401   2H5*    G  38          2H5*        G  38  84.040  47.881-104.233
  402    H4*    G  38           H4*        G  38  83.925  48.840-102.066
  403    H3*    G  38           H3*        G  38  85.653  46.508-101.317
  404   1H2*    G  38          1H2*        G  38  84.670  46.214 -99.259
  405   2HO*    G  38          2HO*        G  38  83.210  47.884 -98.422
  406    H1*    G  38           H1*        G  38  82.084  46.833 -99.908
  407    H8     G  38           H8         G  38  83.611  44.601-102.545
  408    H1     G  38           H1         G  38  81.360  41.430 -97.497
  409   1H2     G  38          1H2         G  38  81.415  44.527 -95.908
  410   2H2     G  38          2H2         G  38  81.076  42.814 -95.791
  411   1H5*    G  39          1H5*        G  39  88.151  48.589 -97.454
  412   2H5*    G  39          2H5*        G  39  86.570  48.936 -98.138
  413    H4*    G  39           H4*        G  39  86.188  47.932 -96.019
  414    H3*    G  39           H3*        G  39  88.215  45.887 -96.921
  415   1H2*    G  39          1H2*        G  39  87.184  44.287 -95.585
  416   2HO*    G  39          2HO*        G  39  85.951  46.518 -94.325
  417    H1*    G  39           H1*        G  39  84.589  45.093 -96.059
  418    H8     G  39           H8         G  39  86.412  44.927 -99.328
  419    H1     G  39           H1         G  39  84.536  39.202 -97.237
  420   1H2     G  39          1H2         G  39  84.039  39.300 -95.081
  421   2H2     G  39          2H2         G  39  84.159  40.782 -94.157
  422   1H5*    A  40          1H5*        A  40  91.075  45.371 -92.588
  423   2H5*    A  40          2H5*        A  40  89.432  45.992 -92.652
  424    H4*    A  40           H4*        A  40  89.147  43.987 -91.518
  425    H3*    A  40           H3*        A  40  91.354  42.990 -93.292
  426   1H2*    A  40          1H2*        A  40  90.521  40.852 -93.307
  427   2HO*    A  40          2HO*        A  40  89.349  41.602 -90.847
  428    H1*    A  40           H1*        A  40  87.824  41.441 -92.933
  429    H8     A  40           H8         A  40  89.175  43.089 -96.034
  430   1H6     A  40          1H6         A  40  87.626  37.876 -98.935
  431   2H6     A  40          2H6         A  40  87.986  39.578 -99.137
  432    H2     A  40           H2         A  40  87.691  37.051 -94.510
  433   1H5*    A  41          1H5*        A  41  92.189  39.870 -88.938
  434   2H5*    A  41          2H5*        A  41  90.695  40.707 -89.450
  435    H4*    A  41           H4*        A  41  90.160  38.392 -89.026
  436    H3*    A  41           H3*        A  41  92.627  37.895 -90.648
  437   1H2*    A  41          1H2*        A  41  91.743  36.101 -91.777
  438   2HO*    A  41          2HO*        A  41  89.702  35.972 -89.787
  439    H1*    A  41           H1*        A  41  89.125  36.902 -91.957
  440    H8     A  41           H8         A  41  91.941  39.372 -92.772
  441   1H6     A  41          1H6         A  41  92.269  38.529 -97.524
  442   2H6     A  41          2H6         A  41  91.551  37.326 -98.571
  443    H2     A  41           H2         A  41  88.909  34.769 -95.992
  444   1H5*    C  42          1H5*        C  42  93.801  33.593 -88.403
  445   2H5*    C  42          2H5*        C  42  92.273  33.834 -89.301
  446    H4*    C  42           H4*        C  42  93.579  31.799 -89.992
  447    H3*    C  42           H3*        C  42  95.585  33.934 -90.581
  448   1H2*    C  42          1H2*        C  42  96.131  33.100 -92.620
  449   2HO*    C  42          2HO*        C  42  95.829  30.899 -93.161
  450    H1*    C  42           H1*        C  42  93.785  31.823 -93.277
  451   1H4     C  42          1H4         C  42  94.457  36.622 -97.360
  452   2H4     C  42          2H4         C  42  94.463  37.794 -96.062
  453    H5     C  42           H5         C  42  94.285  37.191 -93.740
  454    H6     C  42           H6         C  42  94.091  35.330 -92.156
  455   1H5*    C  43          1H5*        C  43  98.792  29.893 -90.780
  456   2H5*    C  43          2H5*        C  43  97.100  30.224 -91.255
  457    H4*    C  43           H4*        C  43  98.433  29.295 -93.125
  458    H3*    C  43           H3*        C  43 100.179  31.617 -92.414
  459   1H2*    C  43          1H2*        C  43 100.573  32.234 -94.577
  460   2HO*    C  43          2HO*        C  43  99.620  29.671 -95.398
  461    H1*    C  43           H1*        C  43  98.130  31.578 -95.704
  462   1H4     C  43          1H4         C  43  98.353  37.892 -94.844
  463   2H4     C  43          2H4         C  43  98.114  37.693 -93.122
  464    H5     C  43           H5         C  43  98.004  35.543 -92.044
  465    H6     C  43           H6         C  43  98.034  33.101 -92.400
  466   1H5*    A  44          1H5*        A  44 104.174  29.621 -94.360
  467   2H5*    A  44          2H5*        A  44 102.607  30.158 -95.038
  468    H4*    A  44           H4*        A  44 104.474  31.174 -96.253
  469    H3*    A  44           H3*        A  44 105.492  31.597 -93.549
  470   1H2*    A  44          1H2*        A  44 105.296  33.807 -93.429
  471   2HO*    A  44          2HO*        A  44 106.597  33.855 -95.970
  472    H1*    A  44           H1*        A  44 104.411  34.327 -96.198
  473    H8     A  44           H8         A  44 101.967  33.702 -93.387
  474   1H6     A  44          1H6         A  44 101.001  38.273 -92.154
  475   2H6     A  44          2H6         A  44 101.698  39.809 -92.619
  476    H2     A  44           H2         A  44 105.000  38.911 -95.534
  477    H3T    A  44           H3T        A  44 107.407  31.914 -94.790
   
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  63.297  38.390-109.501
    2   2H5*    G   1          2H5*        G   1  63.546  39.980-108.728
    3    H4*    G   1           H4*        G   1  63.672  37.589-107.426
    4    H3*    G   1           H3*        G   1  60.829  38.525-107.399
    5   1H2*    G   1          1H2*        G   1  60.601  38.286-105.112
    6   2HO*    G   1          2HO*        G   1  61.683  36.818-103.957
    7    H1*    G   1           H1*        G   1  63.184  38.880-104.365
    8    H8     G   1           H8         G   1  62.450  41.730-106.487
    9    H1     G   1           H1         G   1  59.697  42.211-100.755
   10   1H2     G   1          1H2         G   1  60.196  38.771-100.560
   11   2H2     G   1          2H2         G   1  59.596  40.222 -99.789
   12    H5T    G   1           H5T        G   1  61.666  40.290-109.628
   13   1H5*    G   2          1H5*        G   2  57.699  35.386-106.253
   14   2H5*    G   2          2H5*        G   2  59.376  35.369-105.719
   15    H4*    G   2           H4*        G   2  58.358  36.373-103.915
   16    H3*    G   2           H3*        G   2  56.453  37.632-105.905
   17   1H2*    G   2          1H2*        G   2  56.192  39.463-104.496
   18   2HO*    G   2          2HO*        G   2  57.247  38.349-102.219
   19    H1*    G   2           H1*        G   2  58.621  39.185-103.099
   20    H8     G   2           H8         G   2  59.090  40.410-106.633
   21    H1     G   2           H1         G   2  56.661  44.661-102.534
   22   1H2     G   2          1H2         G   2  56.040  41.866-100.573
   23   2H2     G   2          2H2         G   2  55.914  43.601-100.746
   24   1H5*    G   3          1H5*        G   3  53.027  33.586-103.329
   25   2H5*    G   3          2H5*        G   3  54.612  33.626-102.596
   26    H4*    G   3           H4*        G   3  53.571  35.173-101.282
   27    H3*    G   3           H3*        G   3  51.821  35.857-103.630
   28   1H2*    G   3          1H2*        G   3  51.310  37.887-102.587
   29   2HO*    G   3          2HO*        G   3  52.222  36.684-100.170
   30    H1*    G   3           H1*        G   3  53.678  38.123-101.132
   31    H8     G   3           H8         G   3  54.114  38.181-104.867
   32    H1     G   3           H1         G   3  52.598  43.860-102.482
   33   1H2     G   3          1H2         G   3  51.726  42.127 -99.601
   34   2H2     G   3          2H2         G   3  51.844  43.674-100.422
   35   1H5*    A   4          1H5*        A   4  47.198  35.189-100.596
   36   2H5*    A   4          2H5*        A   4  48.728  35.029 -99.741
   37    H4*    A   4           H4*        A   4  47.702  36.638 -98.441
   38    H3*    A   4           H3*        A   4  46.272  37.347-100.975
   39   1H2*    A   4          1H2*        A   4  46.082  39.575-100.473
   40   2HO*    A   4          2HO*        A   4  46.528  38.753 -97.787
   41    H1*    A   4           H1*        A   4  48.443  39.961 -99.139
   42    H8     A   4           H8         A   4  49.043  37.976-102.254
   43   1H6     A   4          1H6         A   4  49.610  43.361-105.171
   44   2H6     A   4          2H6         A   4  49.936  41.645-105.254
   45    H2     A   4           H2         A   4  47.746  44.139-101.157
   46   1H5*    G   5          1H5*        G   5  41.689  38.778 -99.182
   47   2H5*    G   5          2H5*        G   5  43.169  38.765 -98.233
   48    H4*    G   5           H4*        G   5  42.818  41.038 -98.451
   49    H3*    G   5           H3*        G   5  41.527  40.269-101.030
   50   1H2*    G   5          1H2*        G   5  42.108  42.192-102.120
   51   2HO*    G   5          2HO*        G   5  42.789  44.082-100.841
   52    H1*    G   5           H1*        G   5  44.467  42.794-100.713
   53    H8     G   5           H8         G   5  44.643  39.349-102.160
   54    H1     G   5           H1         G   5  46.157  43.905-106.350
   55   1H2     G   5          1H2         G   5  45.455  45.882-105.644
   56   2H2     G   5          2H2         G   5  44.609  46.083-104.120
   57   1H5*    C   6          1H5*        C   6  37.038  41.895-100.813
   58   2H5*    C   6          2H5*        C   6  38.311  42.948-101.500
   59    H4*    C   6           H4*        C   6  36.608  42.634-103.171
   60    H3*    C   6           H3*        C   6  36.852  39.769-102.356
   61   1H2*    C   6          1H2*        C   6  36.667  38.962-104.484
   62   2HO*    C   6          2HO*        C   6  35.527  39.968-106.074
   63    H1*    C   6           H1*        C   6  37.759  41.130-105.893
   64   1H4     C   6          1H4         C   6  41.669  36.115-106.327
   65   2H4     C   6          2H4         C   6  42.215  36.366-104.685
   66    H5     C   6           H5         C   6  41.304  38.054-103.239
   67    H6     C   6           H6         C   6  39.677  39.885-103.046
   68   1H5*    U   7          1H5*        U   7  32.391  37.774-103.421
   69   2H5*    U   7          2H5*        U   7  33.127  39.177-104.254
   70    H4*    U   7           H4*        U   7  33.361  37.532-105.863
   71    H3*    U   7           H3*        U   7  33.542  35.678-103.528
   72   1H2*    U   7          1H2*        U   7  35.017  34.235-104.539
   73   2HO*    U   7          2HO*        U   7  33.531  34.927-106.729
   74    H1*    U   7           H1*        U   7  36.224  36.038-106.344
   75    H3     U   7           H3         U   7  39.897  34.420-104.408
   76    H5     U   7           H5         U   7  37.856  36.195-101.180
   77    H6     U   7           H6         U   7  36.006  36.655-102.675
   78   1H5*    C   8          1H5*        C   8  33.417  32.665-103.799
   79   2H5*    C   8          2H5*        C   8  31.961  31.763-103.275
   80    H4*    C   8           H4*        C   8  33.209  30.067-104.237
   81    H3*    C   8           H3*        C   8  34.273  32.242-105.991
   82   1H2*    C   8          1H2*        C   8  34.554  30.904-107.806
   83   2HO*    C   8          2HO*        C   8  35.514  29.241-106.140
   84    H1*    C   8           H1*        C   8  32.479  29.098-107.376
   85   1H4     C   8          1H4         C   8  30.777  32.710-112.289
   86   2H4     C   8          2H4         C   8  30.453  34.051-111.215
   87    H5     C   8           H5         C   8  30.879  33.957-108.842
   88    H6     C   8           H6         C   8  31.731  32.628-107.008
   89   1H5*    A   9          1H5*        A   9  38.016  30.030-107.556
   90   2H5*    A   9          2H5*        A   9  36.331  29.700-108.052
   91    H4*    A   9           H4*        A   9  37.998  30.198-109.918
   92    H3*    A   9           H3*        A   9  37.899  32.844-108.514
   93   1H2*    A   9          1H2*        A   9  37.810  34.011-110.472
   94   2HO*    A   9          2HO*        A   9  39.688  32.777-111.293
   95    H1*    A   9           H1*        A   9  36.488  32.106-112.047
   96    H8     A   9           H8         A   9  34.077  32.626-109.486
   97   1H6     A   9          1H6         A   9  33.225  38.474-111.194
   98   2H6     A   9          2H6         A   9  32.588  37.150-110.242
   99    H2     A   9           H2         A   9  36.985  36.976-113.154
  100   1H5*    A  10          1H5*        A  10  42.952  33.471-110.558
  101   2H5*    A  10          2H5*        A  10  41.624  32.380-111.049
  102    H4*    A  10           H4*        A  10  42.037  33.492-113.031
  103    H3*    A  10           H3*        A  10  42.850  35.763-111.267
  104   1H2*    A  10          1H2*        A  10  42.188  37.369-112.766
  105   2HO*    A  10          2HO*        A  10  41.648  36.551-115.028
  106    H1*    A  10           H1*        A  10  40.026  36.071-113.913
  107    H8     A  10           H8         A  10  39.615  35.898-110.223
  108   1H6     A  10          1H6         A  10  37.889  41.811-110.282
  109   2H6     A  10          2H6         A  10  37.922  40.344-109.333
  110    H2     A  10           H2         A  10  39.719  40.837-114.259
  111   1H5*    C  11          1H5*        C  11  46.473  37.640-114.255
  112   2H5*    C  11          2H5*        C  11  44.990  36.723-114.657
  113    H4*    C  11           H4*        C  11  44.676  38.939-115.482
  114    H3*    C  11           H3*        C  11  45.862  39.716-112.851
  115   1H2*    C  11          1H2*        C  11  44.474  41.517-112.571
  116   2HO*    C  11          2HO*        C  11  44.170  42.828-114.164
  117    H1*    C  11           H1*        C  11  42.272  40.631-114.013
  118   1H4     C  11          1H4         C  11  41.578  39.556-107.511
  119   2H4     C  11          2H4         C  11  40.513  40.883-107.919
  120    H5     C  11           H5         C  11  43.050  38.501-109.110
  121    H6     C  11           H6         C  11  43.842  38.530-111.429
  122   1H5*    U  12          1H5*        U  12  47.556  43.790-115.574
  123   2H5*    U  12          2H5*        U  12  45.892  43.161-115.429
  124    H4*    U  12           H4*        U  12  46.342  45.737-115.269
  125    H3*    U  12           H3*        U  12  47.313  44.678-112.644
  126   1H2*    U  12          1H2*        U  12  46.194  46.264-111.418
  127   2HO*    U  12          2HO*        U  12  46.533  47.790-113.732
  128    H1*    U  12           H1*        U  12  44.027  46.711-113.151
  129    H3     U  12           H3         U  12  41.597  45.403-109.640
  130    H5     U  12           H5         U  12  44.565  42.418-109.856
  131    H6     U  12           H6         U  12  45.488  43.571-111.783
  132   1H5*    C  13          1H5*        C  13  49.898  49.282-112.156
  133   2H5*    C  13          2H5*        C  13  48.570  48.593-113.082
  134    H4*    C  13           H4*        C  13  47.631  50.173-111.540
  135    H3*    C  13           H3*        C  13  49.512  48.842-109.634
  136   1H2*    C  13          1H2*        C  13  48.049  48.950-107.851
  137   2HO*    C  13          2HO*        C  13  46.168  50.272-107.915
  138    H1*    C  13           H1*        C  13  45.746  48.409-109.116
  139   1H4     C  13          1H4         C  13  47.237  42.585-107.256
  140   2H4     C  13          2H4         C  13  48.183  42.376-108.711
  141    H5     C  13           H5         C  13  48.794  44.202-110.155
  142    H6     C  13           H6         C  13  48.461  46.580-110.623
  143   1H5*    U  14          1H5*        U  14  50.584  52.419-106.256
  144   2H5*    U  14          2H5*        U  14  49.031  52.495-107.078
  145    H4*    U  14           H4*        U  14  48.344  52.038-104.931
  146    H3*    U  14           H3*        U  14  50.952  50.567-104.679
  147   1H2*    U  14          1H2*        U  14  50.091  49.129-103.090
  148   2HO*    U  14          2HO*        U  14  47.952  50.994-102.797
  149    H1*    U  14           H1*        U  14  47.513  48.934-104.068
  150    H3     U  14           H3         U  14  49.212  44.736-104.105
  151    H5     U  14           H5         U  14  50.782  46.565-107.560
  152    H6     U  14           H6         U  14  49.977  48.686-106.724
  153   1H5*    C  15          1H5*        C  15  51.958  52.455 -99.872
  154   2H5*    C  15          2H5*        C  15  50.502  52.409-100.860
  155    H4*    C  15           H4*        C  15  50.146  50.811 -99.169
  156    H3*    C  15           H3*        C  15  53.035  50.153 -99.637
  157   1H2*    C  15          1H2*        C  15  52.705  47.919 -99.135
  158   2HO*    C  15          2HO*        C  15  50.484  48.901 -97.719
  159    H1*    C  15           H1*        C  15  50.171  47.628-100.126
  160   1H4     C  15          1H4         C  15  53.584  44.742-104.580
  161   2H4     C  15          2H4         C  15  53.772  46.275-105.396
  162    H5     C  15           H5         C  15  53.242  48.382-104.373
  163    H6     C  15           H6         C  15  52.175  49.469-102.463
  164   1H5*    C  16          1H5*        C  16  53.834  49.002 -94.657
  165   2H5*    C  16          2H5*        C  16  52.443  49.307 -95.692
  166    H4*    C  16           H4*        C  16  52.637  46.952 -95.538
  167    H3*    C  16           H3*        C  16  55.563  47.492 -95.938
  168   1H2*    C  16          1H2*        C  16  55.839  45.560 -97.147
  169   2HO*    C  16          2HO*        C  16  54.196  43.865 -97.038
  170    H1*    C  16           H1*        C  16  53.308  45.352 -98.201
  171   1H4     C  16          1H4         C  16  56.902  47.900-103.034
  172   2H4     C  16          2H4         C  16  57.092  46.163-103.206
  173    H5     C  16           H5         C  16  55.887  48.952-101.102
  174    H6     C  16           H6         C  16  54.706  48.559 -98.979
  175   1H5*    C  17          1H5*        C  17  57.388  43.783 -92.457
  176   2H5*    C  17          2H5*        C  17  55.705  43.879 -92.951
  177    H4*    C  17           H4*        C  17  56.287  41.821 -93.810
  178    H3*    C  17           H3*        C  17  59.019  43.026 -94.087
  179   1H2*    C  17          1H2*        C  17  59.553  41.735 -95.912
  180   2HO*    C  17          2HO*        C  17  58.350  39.796 -96.394
  181    H1*    C  17           H1*        C  17  56.991  41.432 -96.984
  182   1H4     C  17          1H4         C  17  59.369  46.538-100.269
  183   2H4     C  17          2H4         C  17  59.874  45.132-101.181
  184    H5     C  17           H5         C  17  58.430  46.405 -98.050
  185    H6     C  17           H6         C  17  57.669  44.886 -96.279
  186   1H5*    C  18          1H5*        C  18  61.604  38.644 -93.519
  187   2H5*    C  18          2H5*        C  18  59.886  38.917 -93.773
  188    H4*    C  18           H4*        C  18  60.543  38.227 -95.871
  189    H3*    C  18           H3*        C  18  63.154  39.578 -95.230
  190   1H2*    C  18          1H2*        C  18  63.570  40.023 -97.456
  191   2HO*    C  18          2HO*        C  18  61.862  37.822 -97.867
  192    H1*    C  18           H1*        C  18  60.937  40.358 -98.299
  193   1H4     C  18          1H4         C  18  63.241  46.216 -98.517
  194   2H4     C  18          2H4         C  18  62.725  46.457 -96.862
  195    H5     C  18           H5         C  18  62.015  44.658 -95.426
  196    H6     C  18           H6         C  18  61.513  42.264 -95.304
  197   1H5*    C  19          1H5*        C  19  65.144  35.221 -97.761
  198   2H5*    C  19          2H5*        C  19  63.653  36.083 -97.389
  199    H4*    C  19           H4*        C  19  64.225  36.618 -99.642
  200    H3*    C  19           H3*        C  19  66.967  36.976 -98.489
  201   1H2*    C  19          1H2*        C  19  67.451  38.763 -99.851
  202   2HO*    C  19          2HO*        C  19  66.019  39.122-101.764
  203    H1*    C  19           H1*        C  19  64.856  39.704-100.239
  204   1H4     C  19          1H4         C  19  67.561  44.429 -97.105
  205   2H4     C  19          2H4         C  19  67.150  43.649 -95.590
  206    H5     C  19           H5         C  19  66.367  41.364 -95.447
  207    H6     C  19           H6         C  19  65.618  39.414 -96.730
  208   1H5*    C  20          1H5*        C  20  69.522  35.165-102.941
  209   2H5*    C  20          2H5*        C  20  67.802  35.526-102.979
  210    H4*    C  20           H4*        C  20  68.593  36.977-104.596
  211    H3*    C  20           H3*        C  20  71.065  36.973-102.923
  212   1H2*    C  20          1H2*        C  20  71.656  39.096-103.405
  213   2HO*    C  20          2HO*        C  20  70.598  40.200-105.262
  214    H1*    C  20           H1*        C  20  69.161  40.215-103.768
  215   1H4     C  20          1H4         C  20  70.983  42.604 -98.257
  216   2H4     C  20          2H4         C  20  70.324  41.194 -97.450
  217    H5     C  20           H5         C  20  69.645  39.208 -98.648
  218    H6     C  20           H6         C  20  69.261  38.211-100.868
  219   1H5*    C  21          1H5*        C  21  74.116  37.050-105.683
  220   2H5*    C  21          2H5*        C  21  73.149  38.066-104.577
  221    H4*    C  21           H4*        C  21  75.853  38.050-104.645
  222    H3*    C  21           H3*        C  21  74.978  35.854-102.802
  223   1H2*    C  21          1H2*        C  21  76.418  36.540-101.120
  224   2HO*    C  21          2HO*        C  21  78.334  36.522-102.095
  225    H1*    C  21           H1*        C  21  76.608  39.264-101.900
  226   1H4     C  21          1H4         C  21  74.494  39.055 -95.944
  227   2H4     C  21          2H4         C  21  73.043  39.803 -96.574
  228    H5     C  21           H5         C  21  72.612  40.054 -98.918
  229    H6     C  21           H6         C  21  73.377  39.526-101.199
  230   1H5*    U  22          1H5*        U  22  79.530  35.382-105.028
  231   2H5*    U  22          2H5*        U  22  80.013  36.836-104.102
  232    H4*    U  22           H4*        U  22  81.763  35.677-103.000
  233    H3*    U  22           H3*        U  22  81.679  35.801-105.809
  234   1H2*    U  22          1H2*        U  22  81.468  33.604-106.317
  235   2HO*    U  22          2HO*        U  22  84.053  33.159-105.281
  236    H1*    U  22           H1*        U  22  82.756  32.539-103.857
  237    H3     U  22           H3         U  22  81.157  29.186-106.771
  238    H5     U  22           H5         U  22  78.071  30.271-104.114
  239    H6     U  22           H6         U  22  79.404  32.178-103.442
  240   1H5*    U  23          1H5*        U  23  85.020  33.869-106.789
  241   2H5*    U  23          2H5*        U  23  85.803  35.064-107.864
  242    H4*    U  23           H4*        U  23  87.290  33.184-107.605
  243    H3*    U  23           H3*        U  23  86.587  33.490-104.720
  244   1H2*    U  23          1H2*        U  23  88.691  33.054-103.961
  245   2HO*    U  23          2HO*        U  23  90.173  31.850-105.065
  246    H1*    U  23           H1*        U  23  90.167  34.098-106.010
  247    H3     U  23           H3         U  23  91.312  36.309-102.205
  248    H5     U  23           H5         U  23  87.901  38.285-103.695
  249    H6     U  23           H6         U  23  87.608  36.453-105.261
  250   1H5*    U  24          1H5*        U  24  87.472  29.243-103.485
  251   2H5*    U  24          2H5*        U  24  88.313  30.736-103.993
  252    H4*    U  24           H4*        U  24  88.736  29.456-101.633
  253    H3*    U  24           H3*        U  24  86.546  31.465-101.226
  254   1H2*    U  24          1H2*        U  24  87.503  32.204 -99.277
  255   2HO*    U  24          2HO*        U  24  89.045  29.820 -99.184
  256    H1*    U  24           H1*        U  24  90.159  31.653 -99.930
  257    H3     U  24           H3         U  24  90.446  35.917 -98.678
  258    H5     U  24           H5         U  24  87.694  36.066-101.864
  259    H6     U  24           H6         U  24  87.858  33.659-102.032
  260   1H5*    U  25          1H5*        U  25  83.676  29.198 -97.425
  261   2H5*    U  25          2H5*        U  25  85.288  28.573 -97.727
  262    H4*    U  25           H4*        U  25  85.501  29.309 -95.554
  263    H3*    U  25           H3*        U  25  83.574  31.475 -96.353
  264   1H2*    U  25          1H2*        U  25  84.346  32.816 -94.612
  265   2HO*    U  25          2HO*        U  25  85.674  31.957 -92.947
  266    H1*    U  25           H1*        U  25  86.973  32.077 -94.768
  267    H3     U  25           H3         U  25  86.752  36.566 -95.495
  268    H5     U  25           H5         U  25  86.097  34.772 -99.242
  269    H6     U  25           H6         U  25  85.850  32.635 -98.106
  270   1H5*    C  26          1H5*        C  26  79.938  31.903 -93.010
  271   2H5*    C  26          2H5*        C  26  81.437  31.089 -92.583
  272    H4*    C  26           H4*        C  26  81.661  33.098 -91.466
  273    H3*    C  26           H3*        C  26  80.107  34.225 -93.769
  274   1H2*    C  26          1H2*        C  26  81.107  36.288 -93.583
  275   2HO*    C  26          2HO*        C  26  81.677  35.468 -90.941
  276    H1*    C  26           H1*        C  26  83.598  35.512 -92.804
  277   1H4     C  26          1H4         C  26  84.458  37.054 -98.858
  278   2H4     C  26          2H4         C  26  84.035  35.416 -99.320
  279    H5     C  26           H5         C  26  83.032  33.826 -97.803
  280    H6     C  26           H6         C  26  82.402  33.399 -95.479
  281   1H5*    C  27          1H5*        C  27  77.460  37.433 -90.526
  282   2H5*    C  27          2H5*        C  27  78.888  36.414 -90.400
  283    H4*    C  27           H4*        C  27  79.733  38.597 -90.520
  284    H3*    C  27           H3*        C  27  77.588  39.024 -92.581
  285   1H2*    C  27          1H2*        C  27  78.867  40.570 -93.714
  286   2HO*    C  27          2HO*        C  27  80.053  40.933 -91.183
  287    H1*    C  27           H1*        C  27  81.393  39.513 -93.054
  288   1H4     C  27          1H4         C  27  80.911  38.686 -99.272
  289   2H4     C  27          2H4         C  27  80.241  37.096 -98.984
  290    H5     C  27           H5         C  27  79.471  36.365 -96.818
  291    H6     C  27           H6         C  27  79.372  36.921 -94.436
  292   1H5*    G  28          1H5*        G  28  76.210  43.922 -91.443
  293   2H5*    G  28          2H5*        G  28  77.711  43.196 -90.891
  294    H4*    G  28           H4*        G  28  78.514  44.787 -92.352
  295    H3*    G  28           H3*        G  28  75.953  44.315 -93.843
  296   1H2*    G  28          1H2*        G  28  76.885  44.890 -95.866
  297   2HO*    G  28          2HO*        G  28  79.021  46.013 -95.837
  298    H1*    G  28           H1*        G  28  79.514  44.074 -95.342
  299    H8     G  28           H8         G  28  77.107  41.240 -94.817
  300    H1     G  28           H1         G  28  78.675  42.138-100.931
  301   1H2     G  28          1H2         G  28  79.787  45.264 -99.866
  302   2H2     G  28          2H2         G  28  79.565  44.153-101.198
  303   1H5*    A  29          1H5*        A  29  75.330  49.684 -94.677
  304   2H5*    A  29          2H5*        A  29  76.772  48.929 -94.016
  305    H4*    A  29           H4*        A  29  77.628  49.906 -95.923
  306    H3*    A  29           H3*        A  29  74.875  49.447 -96.993
  307   1H2*    A  29          1H2*        A  29  75.573  49.207 -99.165
  308   2HO*    A  29          2HO*        A  29  77.726  50.792 -98.293
  309    H1*    A  29           H1*        A  29  78.072  48.069 -98.687
  310    H8     A  29           H8         A  29  75.412  46.175 -96.838
  311   1H6     A  29          1H6         A  29  74.838  42.779-101.940
  312   2H6     A  29          2H6         A  29  74.534  42.842-100.219
  313    H2     A  29           H2         A  29  77.066  46.535-103.004
  314   1H5*    G  30          1H5*        G  30  73.711  52.890-100.012
  315   2H5*    G  30          2H5*        G  30  75.347  52.348 -99.676
  316    H4*    G  30           H4*        G  30  74.860  51.429-101.775
  317    H3*    G  30           H3*        G  30  72.137  50.997-100.602
  318   1H2*    G  30          1H2*        G  30  71.755  49.133-101.915
  319   2HO*    G  30          2HO*        G  30  73.910  50.116-103.496
  320    H1*    G  30           H1*        G  30  74.298  48.087-101.892
  321    H8     G  30           H8         G  30  73.231  49.111 -98.398
  322    H1     G  30           H1         G  30  71.159  43.370-100.231
  323   1H2     G  30          1H2         G  30  72.004  44.470-103.425
  324   2H2     G  30          2H2         G  30  71.355  43.188-102.430
  325   1H5*    G  31          1H5*        G  31  69.939  51.977-105.127
  326   2H5*    G  31          2H5*        G  31  71.514  51.582-104.444
  327    H4*    G  31           H4*        G  31  70.599  49.573-105.337
  328    H3*    G  31           H3*        G  31  68.128  50.408-103.849
  329   1H2*    G  31          1H2*        G  31  67.569  48.186-103.451
  330   2HO*    G  31          2HO*        G  31  68.780  46.515-104.720
  331    H1*    G  31           H1*        G  31  70.194  47.173-103.408
  332    H8     G  31           H8         G  31  69.740  49.835-100.813
  333    H1     G  31           H1         G  31  67.454  44.126 -99.096
  334   1H2     G  31          1H2         G  31  67.662  43.397-102.494
  335   2H2     G  31          2H2         G  31  67.226  42.848-100.893
  336   1H5*    G  32          1H5*        G  32  65.949  48.592-108.709
  337   2H5*    G  32          2H5*        G  32  67.501  48.698-107.886
  338    H4*    G  32           H4*        G  32  67.155  46.393-108.229
  339    H3*    G  32           H3*        G  32  64.325  47.065-107.557
  340   1H2*    G  32          1H2*        G  32  63.929  45.118-106.415
  341   2HO*    G  32          2HO*        G  32  66.001  44.116-108.051
  342    H1*    G  32           H1*        G  32  66.487  44.643-105.425
  343    H8     G  32           H8         G  32  65.395  48.140-104.694
  344    H1     G  32           H1         G  32  63.417  43.959-100.326
  345   1H2     G  32          1H2         G  32  64.063  41.554-102.757
  346   2H2     G  32          2H2         G  32  63.477  41.907-101.145
  347   1H5*    U  33          1H5*        U  33  62.350  43.153-109.093
  348   2H5*    U  33          2H5*        U  33  61.287  44.377-109.864
  349    H4*    U  33           H4*        U  33  61.402  41.767-110.636
  350    H3*    U  33           H3*        U  33  63.854  42.784-111.536
  351   1H2*    U  33          1H2*        U  33  63.179  44.108-113.230
  352   2HO*    U  33          2HO*        U  33  63.073  41.472-114.174
  353    H1*    U  33           H1*        U  33  60.681  42.653-113.911
  354    H3     U  33           H3         U  33  60.954  46.470-116.535
  355    H5     U  33           H5         U  33  59.686  47.704-112.709
  356    H6     U  33           H6         U  33  60.195  45.475-111.895
  357   1H5*    C  34          1H5*        C  34  65.287  40.369-115.180
  358   2H5*    C  34          2H5*        C  34  65.474  41.577-113.875
  359    H4*    C  34           H4*        C  34  67.374  39.295-114.540
  360    H3*    C  34           H3*        C  34  67.098  41.105-112.191
  361   1H2*    C  34          1H2*        C  34  69.291  41.743-112.129
  362   2HO*    C  34          2HO*        C  34  70.741  40.249-113.613
  363    H1*    C  34           H1*        C  34  69.926  41.460-114.860
  364   1H4     C  34          1H4         C  34  68.325  47.594-112.909
  365   2H4     C  34          2H4         C  34  69.870  47.701-113.724
  366    H5     C  34           H5         C  34  67.138  45.513-112.609
  367    H6     C  34           H6         C  34  67.131  43.123-113.075
  368   1H5*    A  35          1H5*        A  35  70.637  37.569-110.800
  369   2H5*    A  35          2H5*        A  35  69.758  38.608-111.961
  370    H4*    A  35           H4*        A  35  71.767  39.724-111.842
  371    H3*    A  35           H3*        A  35  72.244  38.218-109.520
  372   1H2*    A  35          1H2*        A  35  71.576  39.628-107.926
  373   2HO*    A  35          2HO*        A  35  73.527  41.529-108.426
  374    H1*    A  35           H1*        A  35  71.939  42.179-109.389
  375    H8     A  35           H8         A  35  68.581  41.208-109.496
  376   1H6     A  35          1H6         A  35  66.774  42.652-105.268
  377   2H6     A  35          2H6         A  35  67.521  43.130-103.761
  378    H2     A  35           H2         A  35  71.951  42.747-104.294
  379   1H5*    U  36          1H5*        U  36  77.403  40.228-110.811
  380   2H5*    U  36          2H5*        U  36  75.741  40.579-111.257
  381    H4*    U  36           H4*        U  36  76.533  42.652-110.608
  382    H3*    U  36           H3*        U  36  78.101  41.144-108.533
  383   1H2*    U  36          1H2*        U  36  78.078  42.960-107.115
  384   2HO*    U  36          2HO*        U  36  77.673  45.079-107.851
  385    H1*    U  36           H1*        U  36  75.629  44.014-107.866
  386    H3     U  36           H3         U  36  75.824  43.380-103.355
  387    H5     U  36           H5         U  36  74.460  39.764-105.018
  388    H6     U  36           H6         U  36  75.044  40.608-107.209
  389   1H5*    C  37          1H5*        C  37  82.494  43.911-109.161
  390   2H5*    C  37          2H5*        C  37  80.842  44.153-109.716
  391    H4*    C  37           H4*        C  37  81.042  45.639-107.931
  392    H3*    C  37           H3*        C  37  82.624  43.446-106.599
  393   1H2*    C  37          1H2*        C  37  81.951  44.156-104.518
  394   2HO*    C  37          2HO*        C  37  81.651  46.637-105.814
  395    H1*    C  37           H1*        C  37  79.452  45.183-105.259
  396   1H4     C  37          1H4         C  37  78.441  40.299-101.407
  397   2H4     C  37          2H4         C  37  78.271  39.262-102.807
  398    H5     C  37           H5         C  37  78.889  39.937-105.028
  399    H6     C  37           H6         C  37  79.584  41.816-106.422
  400   1H5*    G  38          1H5*        G  38  86.401  46.453-104.367
  401   2H5*    G  38          2H5*        G  38  84.897  47.149-104.952
  402    H4*    G  38           H4*        G  38  84.706  47.612-102.708
  403    H3*    G  38           H3*        G  38  86.381  45.150-102.350
  404   1H2*    G  38          1H2*        G  38  85.475  44.648-100.301
  405   2HO*    G  38          2HO*        G  38  84.878  47.416-100.215
  406    H1*    G  38           H1*        G  38  82.919  45.711-100.685
  407    H8     G  38           H8         G  38  83.868  43.252-103.392
  408    H1     G  38           H1         G  38  81.627  40.494 -98.100
  409   1H2     G  38          1H2         G  38  82.294  43.564 -96.589
  410   2H2     G  38          2H2         G  38  81.713  41.924 -96.406
  411   1H5*    G  39          1H5*        G  39  88.837  47.241 -98.212
  412   2H5*    G  39          2H5*        G  39  87.464  47.696 -99.216
  413    H4*    G  39           H4*        G  39  86.393  46.758 -97.391
  414    H3*    G  39           H3*        G  39  88.857  45.087 -97.175
  415   1H2*    G  39          1H2*        G  39  87.690  43.162 -96.577
  416   2HO*    G  39          2HO*        G  39  86.278  45.053 -95.163
  417    H1*    G  39           H1*        G  39  85.104  43.946 -97.338
  418    H8     G  39           H8         G  39  87.101  43.203-100.407
  419    H1     G  39           H1         G  39  84.638  38.110 -97.468
  420   1H2     G  39          1H2         G  39  84.127  38.626 -95.380
  421   2H2     G  39          2H2         G  39  84.384  40.226 -94.723
  422   1H5*    A  40          1H5*        A  40  90.510  45.252 -92.718
  423   2H5*    A  40          2H5*        A  40  89.778  46.306 -91.512
  424    H4*    A  40           H4*        A  40  89.106  44.493 -90.342
  425    H3*    A  40           H3*        A  40  90.431  43.032 -92.650
  426   1H2*    A  40          1H2*        A  40  89.588  40.990 -91.835
  427   2HO*    A  40          2HO*        A  40  88.921  42.542 -89.555
  428    H1*    A  40           H1*        A  40  87.083  41.830 -91.639
  429    H8     A  40           H8         A  40  88.714  43.688 -94.433
  430   1H6     A  40          1H6         A  40  87.579  38.678 -97.887
  431   2H6     A  40          2H6         A  40  87.910  40.399 -97.933
  432    H2     A  40           H2         A  40  87.137  37.541 -93.574
  433   1H5*    A  41          1H5*        A  41  92.323  39.873 -88.997
  434   2H5*    A  41          2H5*        A  41  90.702  40.632 -88.983
  435    H4*    A  41           H4*        A  41  90.254  38.323 -88.764
  436    H3*    A  41           H3*        A  41  92.579  38.056 -90.610
  437   1H2*    A  41          1H2*        A  41  91.710  36.331 -91.827
  438   2HO*    A  41          2HO*        A  41  90.748  35.609 -89.402
  439    H1*    A  41           H1*        A  41  89.007  36.861 -91.567
  440    H8     A  41           H8         A  41  91.123  39.771 -92.747
  441   1H6     A  41          1H6         A  41  91.014  38.981 -97.491
  442   2H6     A  41          2H6         A  41  90.456  37.645 -98.470
  443    H2     A  41           H2         A  41  88.859  34.540 -95.635
  444   1H5*    C  42          1H5*        C  42  93.296  33.805 -89.072
  445   2H5*    C  42          2H5*        C  42  92.274  34.567 -90.328
  446    H4*    C  42           H4*        C  42  93.709  32.302 -90.732
  447    H3*    C  42           H3*        C  42  95.536  34.620 -91.158
  448   1H2*    C  42          1H2*        C  42  96.165  34.009 -93.239
  449   2HO*    C  42          2HO*        C  42  95.686  31.690 -93.890
  450    H1*    C  42           H1*        C  42  93.973  32.605 -94.070
  451   1H4     C  42          1H4         C  42  94.067  37.905 -97.543
  452   2H4     C  42          2H4         C  42  94.035  38.911 -96.111
  453    H5     C  42           H5         C  42  94.016  38.019 -93.875
  454    H6     C  42           H6         C  42  94.007  35.981 -92.525
  455   1H5*    C  43          1H5*        C  43  98.295  30.464 -91.355
  456   2H5*    C  43          2H5*        C  43  97.000  31.439 -92.113
  457    H4*    C  43           H4*        C  43  98.747  30.156 -93.615
  458    H3*    C  43           H3*        C  43 100.256  32.463 -92.474
  459   1H2*    C  43          1H2*        C  43 101.091  33.191 -94.457
  460   2HO*    C  43          2HO*        C  43 100.488  30.623 -95.548
  461    H1*    C  43           H1*        C  43  98.998  32.470 -96.147
  462   1H4     C  43          1H4         C  43  98.848  38.784 -95.318
  463   2H4     C  43          2H4         C  43  98.268  38.587 -93.680
  464    H5     C  43           H5         C  43  97.981  36.447 -92.628
  465    H6     C  43           H6         C  43  98.159  33.998 -92.931
  466   1H5*    A  44          1H5*        A  44 102.652  27.085 -91.763
  467   2H5*    A  44          2H5*        A  44 101.200  27.903 -92.413
  468    H4*    A  44           H4*        A  44 102.394  27.152 -94.314
  469    H3*    A  44           H3*        A  44 104.725  27.645 -92.626
  470   1H2*    A  44          1H2*        A  44 105.675  29.290 -93.759
  471   2HO*    A  44          2HO*        A  44 106.582  28.795 -95.669
  472    H1*    A  44           H1*        A  44 103.870  29.366 -96.089
  473    H8     A  44           H8         A  44 102.805  31.578 -93.348
  474   1H6     A  44          1H6         A  44 105.390  35.553 -94.310
  475   2H6     A  44          2H6         A  44 106.730  35.872 -95.387
  476    H2     A  44           H2         A  44 107.665  32.009 -97.487
  477    H3T    A  44           H3T        A  44 104.465  25.662 -93.544
   
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  60.678  36.108-112.026
    2   2H5*    G   1          2H5*        G   1  61.214  37.775-111.661
    3    H4*    G   1           H4*        G   1  61.301  35.764-109.871
    4    H3*    G   1           H3*        G   1  58.486  36.669-109.936
    5   1H2*    G   1          1H2*        G   1  58.465  37.687-107.932
    6   2HO*    G   1          2HO*        G   1  60.075  35.607-106.836
    7    H1*    G   1           H1*        G   1  61.272  37.198-107.191
    8    H8     G   1           H8         G   1  60.651  40.213-109.165
    9    H1     G   1           H1         G   1  59.648  41.229-102.968
   10   1H2     G   1          1H2         G   1  59.640  37.766-102.747
   11   2H2     G   1          2H2         G   1  59.474  39.301-101.924
   12    H5T    G   1           H5T        G   1  59.040  38.270-111.166
   13   1H5*    G   2          1H5*        G   2  58.488  31.942-106.970
   14   2H5*    G   2          2H5*        G   2  60.140  32.023-106.369
   15    H4*    G   2           H4*        G   2  58.876  31.485-104.463
   16    H3*    G   2           H3*        G   2  56.854  33.338-105.668
   17   1H2*    G   2          1H2*        G   2  56.159  34.171-103.659
   18   2HO*    G   2          2HO*        G   2  56.690  33.042-101.656
   19    H1*    G   2           H1*        G   2  58.521  34.020-102.233
   20    H8     G   2           H8         G   2  59.106  35.739-105.495
   21    H1     G   2           H1         G   2  56.422  39.585-101.217
   22   1H2     G   2          1H2         G   2  55.737  36.731 -99.400
   23   2H2     G   2          2H2         G   2  55.631  38.482 -99.520
   24   1H5*    G   3          1H5*        G   3  52.658  30.792-103.790
   25   2H5*    G   3          2H5*        G   3  54.348  30.780-103.295
   26    H4*    G   3           H4*        G   3  53.239  31.977-101.580
   27    H3*    G   3           H3*        G   3  51.658  33.080-103.863
   28   1H2*    G   3          1H2*        G   3  51.524  35.194-103.019
   29   2HO*    G   3          2HO*        G   3  51.975  35.557-100.711
   30    H1*    G   3           H1*        G   3  53.861  35.273-101.546
   31    H8     G   3           H8         G   3  54.470  34.318-105.131
   32    H1     G   3           H1         G   3  54.049  40.602-104.150
   33   1H2     G   3          1H2         G   3  52.549  39.712-101.139
   34   2H2     G   3          2H2         G   3  53.069  40.999-102.203
   35   1H5*    A   4          1H5*        A   4  47.470  33.395-100.161
   36   2H5*    A   4          2H5*        A   4  49.167  33.082 -99.834
   37    H4*    A   4           H4*        A   4  48.690  34.918 -98.463
   38    H3*    A   4           H3*        A   4  46.901  35.763-100.716
   39   1H2*    A   4          1H2*        A   4  47.284  38.010-100.403
   40   2HO*    A   4          2HO*        A   4  48.119  37.228 -97.805
   41    H1*    A   4           H1*        A   4  49.915  37.941 -99.674
   42    H8     A   4           H8         A   4  49.307  35.653-102.575
   43   1H6     A   4          1H6         A   4  50.487  40.502-106.172
   44   2H6     A   4          2H6         A   4  50.386  38.757-106.108
   45    H2     A   4           H2         A   4  49.756  42.001-102.000
   46   1H5*    G   5          1H5*        G   5  43.862  38.572 -97.687
   47   2H5*    G   5          2H5*        G   5  45.516  38.005 -97.509
   48    H4*    G   5           H4*        G   5  45.766  40.312 -97.798
   49    H3*    G   5           H3*        G   5  43.480  40.012 -99.708
   50   1H2*    G   5          1H2*        G   5  44.216  41.694-101.085
   51   2HO*    G   5          2HO*        G   5  45.512  42.612 -98.744
   52    H1*    G   5           H1*        G   5  46.973  41.425-100.620
   53    H8     G   5           H8         G   5  45.512  38.164-101.736
   54    H1     G   5           H1         G   5  46.870  42.085-106.569
   55   1H2     G   5          1H2         G   5  47.122  44.165-105.845
   56   2H2     G   5          2H2         G   5  46.963  44.585-104.151
   57   1H5*    C   6          1H5*        C   6  40.459  43.531 -98.416
   58   2H5*    C   6          2H5*        C   6  41.942  43.789 -99.384
   59    H4*    C   6           H4*        C   6  39.909  44.606-100.541
   60    H3*    C   6           H3*        C   6  39.048  41.788-100.025
   61   1H2*    C   6          1H2*        C   6  38.164  41.482-102.112
   62   2HO*    C   6          2HO*        C   6  38.092  44.317-102.402
   63    H1*    C   6           H1*        C   6  39.828  43.197-103.571
   64   1H4     C   6          1H4         C   6  41.612  37.355-105.275
   65   2H4     C   6          2H4         C   6  42.000  36.929-103.624
   66    H5     C   6           H5         C   6  41.662  38.420-101.763
   67    H6     C   6           H6         C   6  40.931  40.661-101.088
   68   1H5*    U   7          1H5*        U   7  34.104  42.673-100.114
   69   2H5*    U   7          2H5*        U   7  35.534  43.268-101.009
   70    H4*    U   7           H4*        U   7  34.247  41.935-102.533
   71    H3*    U   7           H3*        U   7  34.061  40.084-100.192
   72   1H2*    U   7          1H2*        U   7  34.337  38.177-101.423
   73   2HO*    U   7          2HO*        U   7  33.843  38.110-103.658
   74    H1*    U   7           H1*        U   7  35.844  39.227-103.553
   75    H3     U   7           H3         U   7  38.489  35.873-102.203
   76    H5     U   7           H5         U   7  38.354  38.390 -98.827
   77    H6     U   7           H6         U   7  36.772  39.789-100.006
   78   1H5*    C   8          1H5*        C   8  32.129  37.513 -99.654
   79   2H5*    C   8          2H5*        C   8  30.371  37.472 -99.327
   80    H4*    C   8           H4*        C   8  31.098  35.328-100.216
   81    H3*    C   8           H3*        C   8  32.655  37.015-101.998
   82   1H2*    C   8          1H2*        C   8  31.608  36.649-103.930
   83   2HO*    C   8          2HO*        C   8  31.695  33.879-103.240
   84    H1*    C   8           H1*        C   8  29.593  34.725-103.128
   85   1H4     C   8          1H4         C   8  26.614  38.671-107.061
   86   2H4     C   8          2H4         C   8  27.462  40.046-106.390
   87    H5     C   8           H5         C   8  29.076  39.844-104.605
   88    H6     C   8           H6         C   8  30.251  38.324-103.121
   89   1H5*    A   9          1H5*        A   9  36.917  33.867-102.647
   90   2H5*    A   9          2H5*        A   9  35.417  32.893-102.700
   91    H4*    A   9           H4*        A   9  36.719  32.487-104.715
   92    H3*    A   9           H3*        A   9  36.842  35.477-104.769
   93   1H2*    A   9          1H2*        A   9  36.484  35.647-107.023
   94   2HO*    A   9          2HO*        A   9  38.129  34.110-107.568
   95    H1*    A   9           H1*        A   9  34.802  33.491-107.414
   96    H8     A   9           H8         A   9  33.076  34.979-104.687
   97   1H6     A   9          1H6         A   9  31.543  39.872-108.094
   98   2H6     A   9          2H6         A   9  31.219  38.998-106.615
   99    H2     A   9           H2         A   9  34.786  37.634-110.250
  100   1H5*    A  10          1H5*        A  10  41.297  35.119-107.651
  101   2H5*    A  10          2H5*        A  10  39.890  34.046-107.373
  102    H4*    A  10           H4*        A  10  39.589  34.599-109.604
  103    H3*    A  10           H3*        A  10  40.904  37.188-108.858
  104   1H2*    A  10          1H2*        A  10  39.684  38.453-110.306
  105   2HO*    A  10          2HO*        A  10  38.582  37.539-112.091
  106    H1*    A  10           H1*        A  10  37.290  37.088-110.226
  107    H8     A  10           H8         A  10  38.234  37.661-106.689
  108   1H6     A  10          1H6         A  10  36.936  43.636-107.453
  109   2H6     A  10          2H6         A  10  37.254  42.381-106.276
  110    H2     A  10           H2         A  10  37.127  41.682-111.504
  111   1H5*    C  11          1H5*        C  11  41.820  38.353-113.337
  112   2H5*    C  11          2H5*        C  11  40.621  37.508-112.319
  113    H4*    C  11           H4*        C  11  39.564  39.542-112.995
  114    H3*    C  11           H3*        C  11  42.277  40.677-112.605
  115   1H2*    C  11          1H2*        C  11  41.675  42.591-111.591
  116   2HO*    C  11          2HO*        C  11  39.548  43.440-111.760
  117    H1*    C  11           H1*        C  11  39.468  41.825-110.228
  118   1H4     C  11          1H4         C  11  44.595  40.108-106.450
  119   2H4     C  11          2H4         C  11  43.952  41.580-105.757
  120    H5     C  11           H5         C  11  43.774  39.141-108.499
  121    H6     C  11           H6         C  11  42.110  39.367-110.300
  122   1H5*    U  12          1H5*        U  12  44.858  42.227-114.714
  123   2H5*    U  12          2H5*        U  12  43.749  43.031-115.884
  124    H4*    U  12           H4*        U  12  44.954  44.906-115.341
  125    H3*    U  12           H3*        U  12  45.735  43.364-112.876
  126   1H2*    U  12          1H2*        U  12  45.932  45.241-111.560
  127   2HO*    U  12          2HO*        U  12  46.163  47.335-112.472
  128    H1*    U  12           H1*        U  12  43.922  46.791-112.682
  129    H3     U  12           H3         U  12  42.164  46.473-108.651
  130    H5     U  12           H5         U  12  43.429  42.523-109.387
  131    H6     U  12           H6         U  12  44.038  43.201-111.628
  132   1H5*    C  13          1H5*        C  13  49.835  46.441-113.522
  133   2H5*    C  13          2H5*        C  13  48.115  46.156-113.774
  134    H4*    C  13           H4*        C  13  48.436  47.961-112.167
  135    H3*    C  13           H3*        C  13  50.257  45.949-110.901
  136   1H2*    C  13          1H2*        C  13  49.592  46.495-108.743
  137   2HO*    C  13          2HO*        C  13  48.313  48.368-108.329
  138    H1*    C  13           H1*        C  13  46.967  46.782-109.139
  139   1H4     C  13          1H4         C  13  47.085  40.656-107.622
  140   2H4     C  13          2H4         C  13  47.353  40.262-109.305
  141    H5     C  13           H5         C  13  47.937  41.905-110.964
  142    H6     C  13           H6         C  13  48.231  44.295-111.398
  143   1H5*    U  14          1H5*        U  14  52.846  49.282-108.126
  144   2H5*    U  14          2H5*        U  14  51.221  49.392-108.787
  145    H4*    U  14           H4*        U  14  50.829  49.224-106.504
  146    H3*    U  14           H3*        U  14  53.179  47.341-106.488
  147   1H2*    U  14          1H2*        U  14  52.310  46.192-104.674
  148   2HO*    U  14          2HO*        U  14  50.554  47.100-103.433
  149    H1*    U  14           H1*        U  14  49.627  46.424-105.312
  150    H3     U  14           H3         U  14  50.540  41.995-105.105
  151    H5     U  14           H5         U  14  51.737  43.198-108.959
  152    H6     U  14           H6         U  14  51.536  45.496-108.230
  153   1H5*    C  15          1H5*        C  15  54.022  49.456-101.713
  154   2H5*    C  15          2H5*        C  15  52.830  49.369-103.005
  155    H4*    C  15           H4*        C  15  52.059  48.002-101.187
  156    H3*    C  15           H3*        C  15  54.862  46.921-101.283
  157   1H2*    C  15          1H2*        C  15  54.149  44.802-100.734
  158   2HO*    C  15          2HO*        C  15  51.837  46.105 -99.729
  159    H1*    C  15           H1*        C  15  51.695  44.853-101.968
  160   1H4     C  15          1H4         C  15  55.101  40.961-105.575
  161   2H4     C  15          2H4         C  15  55.667  42.334-106.502
  162    H5     C  15           H5         C  15  55.399  44.622-105.762
  163    H6     C  15           H6         C  15  54.252  46.088-104.186
  164   1H5*    C  16          1H5*        C  16  55.034  46.412 -96.034
  165   2H5*    C  16          2H5*        C  16  53.699  46.455 -97.175
  166    H4*    C  16           H4*        C  16  53.748  44.307 -96.060
  167    H3*    C  16           H3*        C  16  56.594  44.212 -97.072
  168   1H2*    C  16          1H2*        C  16  56.412  41.854 -97.155
  169   2HO*    C  16          2HO*        C  16  54.157  41.050 -96.498
  170    H1*    C  16           H1*        C  16  53.954  41.828 -98.292
  171   1H4     C  16          1H4         C  16  57.936  43.175-103.335
  172   2H4     C  16          2H4         C  16  57.873  41.430-103.255
  173    H5     C  16           H5         C  16  56.965  44.606-101.685
  174    H6     C  16           H6         C  16  55.736  44.690 -99.555
  175   1H5*    C  17          1H5*        C  17  58.666  41.156 -93.822
  176   2H5*    C  17          2H5*        C  17  56.985  41.571 -94.131
  177    H4*    C  17           H4*        C  17  57.221  39.566 -95.280
  178    H3*    C  17           H3*        C  17  59.992  40.555 -95.901
  179   1H2*    C  17          1H2*        C  17  60.050  39.377 -97.886
  180   2HO*    C  17          2HO*        C  17  58.496  37.658 -98.266
  181    H1*    C  17           H1*        C  17  57.300  39.474 -98.449
  182   1H4     C  17          1H4         C  17  59.688  44.383-102.009
  183   2H4     C  17          2H4         C  17  59.859  42.962-103.022
  184    H5     C  17           H5         C  17  59.172  44.273 -99.641
  185    H6     C  17           H6         C  17  58.488  42.795 -97.807
  186   1H5*    C  18          1H5*        C  18  62.457  36.318 -95.684
  187   2H5*    C  18          2H5*        C  18  60.778  36.817 -95.860
  188    H4*    C  18           H4*        C  18  61.581  36.461 -98.058
  189    H3*    C  18           H3*        C  18  64.021  37.931 -97.091
  190   1H2*    C  18          1H2*        C  18  64.366  38.893 -99.164
  191   2HO*    C  18          2HO*        C  18  62.952  36.625-100.080
  192    H1*    C  18           H1*        C  18  61.683  38.942-100.013
  193   1H4     C  18          1H4         C  18  63.179  45.021 -99.555
  194   2H4     C  18          2H4         C  18  62.618  45.019 -97.896
  195    H5     C  18           H5         C  18  62.153  42.993 -96.665
  196    H6     C  18           H6         C  18  61.935  40.550 -96.825
  197   1H5*    C  19          1H5*        C  19  66.618  34.504-100.452
  198   2H5*    C  19          2H5*        C  19  64.948  35.022-100.264
  199    H4*    C  19           H4*        C  19  65.495  35.605-102.475
  200    H3*    C  19           H3*        C  19  68.135  36.418-101.293
  201   1H2*    C  19          1H2*        C  19  68.410  38.115-102.815
  202   2HO*    C  19          2HO*        C  19  66.991  38.151-104.748
  203    H1*    C  19           H1*        C  19  65.739  38.729-103.225
  204   1H4     C  19          1H4         C  19  67.955  43.807-100.239
  205   2H4     C  19          2H4         C  19  67.625  43.041 -98.699
  206    H5     C  19           H5         C  19  67.052  40.699 -98.481
  207    H6     C  19           H6         C  19  66.514  38.642 -99.707
  208   1H5*    C  20          1H5*        C  20  71.142  34.489-105.253
  209   2H5*    C  20          2H5*        C  20  69.448  34.918-105.432
  210    H4*    C  20           H4*        C  20  70.609  36.277-106.987
  211    H3*    C  20           H3*        C  20  72.590  36.512-104.770
  212   1H2*    C  20          1H2*        C  20  73.126  38.673-105.200
  213   2HO*    C  20          2HO*        C  20  72.028  38.218-107.791
  214    H1*    C  20           H1*        C  20  70.711  39.579-106.119
  215   1H4     C  20          1H4         C  20  70.932  42.024-100.339
  216   2H4     C  20          2H4         C  20  70.287  40.530 -99.692
  217    H5     C  20           H5         C  20  70.136  38.497-100.988
  218    H6     C  20           H6         C  20  70.324  37.533-103.237
  219   1H5*    C  21          1H5*        C  21  76.257  36.775-107.697
  220   2H5*    C  21          2H5*        C  21  74.922  37.815-107.118
  221    H4*    C  21           H4*        C  21  77.119  38.935-106.972
  222    H3*    C  21           H3*        C  21  77.753  36.472-105.396
  223   1H2*    C  21          1H2*        C  21  78.904  37.613-103.771
  224   2HO*    C  21          2HO*        C  21  79.252  39.608-105.764
  225    H1*    C  21           H1*        C  21  77.567  40.091-103.970
  226   1H4     C  21          1H4         C  21  76.536  37.211 -98.321
  227   2H4     C  21          2H4         C  21  74.856  37.134 -98.806
  228    H5     C  21           H5         C  21  74.104  37.687-101.014
  229    H6     C  21           H6         C  21  74.761  38.452-103.250
  230   1H5*    U  22          1H5*        U  22  82.375  37.734-107.644
  231   2H5*    U  22          2H5*        U  22  82.763  38.872-106.317
  232    H4*    U  22           H4*        U  22  84.015  37.109-105.157
  233    H3*    U  22           H3*        U  22  84.785  38.378-107.556
  234   1H2*    U  22          1H2*        U  22  84.787  36.605-108.972
  235   2HO*    U  22          2HO*        U  22  86.748  35.397-108.842
  236    H1*    U  22           H1*        U  22  85.292  34.527-106.904
  237    H3     U  22           H3         U  22  84.698  31.790-110.438
  238    H5     U  22           H5         U  22  81.112  33.997-110.258
  239    H6     U  22           H6         U  22  82.109  35.347-108.507
  240   1H5*    U  23          1H5*        U  23  88.028  36.101-107.898
  241   2H5*    U  23          2H5*        U  23  89.290  37.225-108.482
  242    H4*    U  23           H4*        U  23  90.233  35.000-108.124
  243    H3*    U  23           H3*        U  23  88.900  35.307-105.462
  244   1H2*    U  23          1H2*        U  23  90.593  34.226-104.330
  245   2HO*    U  23          2HO*        U  23  92.175  32.991-105.418
  246    H1*    U  23           H1*        U  23  92.709  35.223-105.716
  247    H3     U  23           H3         U  23  92.363  36.549-101.267
  248    H5     U  23           H5         U  23  90.672  39.584-103.655
  249    H6     U  23           H6         U  23  90.775  38.056-105.542
  250   1H5*    U  24          1H5*        U  24  88.125  31.083-104.233
  251   2H5*    U  24          2H5*        U  24  89.530  32.151-104.521
  252    H4*    U  24           H4*        U  24  89.185  31.161-102.151
  253    H3*    U  24           H3*        U  24  86.994  33.212-102.336
  254   1H2*    U  24          1H2*        U  24  87.367  33.904-100.189
  255   2HO*    U  24          2HO*        U  24  88.452  32.606 -98.660
  256    H1*    U  24           H1*        U  24  90.118  33.390-100.097
  257    H3     U  24           H3         U  24  89.372  37.672 -98.797
  258    H5     U  24           H5         U  24  88.751  37.733-102.959
  259    H6     U  24           H6         U  24  89.053  35.327-102.983
  260   1H5*    U  25          1H5*        U  25  83.632  30.160 -99.301
  261   2H5*    U  25          2H5*        U  25  85.354  29.905 -99.538
  262    H4*    U  25           H4*        U  25  85.135  30.127 -97.224
  263    H3*    U  25           H3*        U  25  83.224  32.355 -97.844
  264   1H2*    U  25          1H2*        U  25  83.672  33.289 -95.752
  265   2HO*    U  25          2HO*        U  25  84.760  32.126 -94.130
  266    H1*    U  25           H1*        U  25  86.326  32.664 -95.730
  267    H3     U  25           H3         U  25  85.833  37.177 -95.411
  268    H5     U  25           H5         U  25  85.874  36.312 -99.527
  269    H6     U  25           H6         U  25  85.647  33.954 -98.972
  270   1H5*    C  26          1H5*        C  26  79.200  31.086 -93.978
  271   2H5*    C  26          2H5*        C  26  80.593  30.666 -93.035
  272    H4*    C  26           H4*        C  26  80.621  32.858 -92.638
  273    H3*    C  26           H3*        C  26  79.318  33.327 -95.318
  274   1H2*    C  26          1H2*        C  26  79.750  35.609 -94.897
  275   2HO*    C  26          2HO*        C  26  80.437  34.895 -92.221
  276    H1*    C  26           H1*        C  26  82.158  35.146 -93.538
  277   1H4     C  26          1H4         C  26  83.963  37.992 -98.866
  278   2H4     C  26          2H4         C  26  83.710  36.516 -99.778
  279    H5     C  26           H5         C  26  82.630  34.550 -98.848
  280    H6     C  26           H6         C  26  81.682  33.559 -96.811
  281   1H5*    C  27          1H5*        C  27  75.773  36.604 -93.608
  282   2H5*    C  27          2H5*        C  27  75.524  36.494 -91.849
  283    H4*    C  27           H4*        C  27  77.116  38.136 -91.411
  284    H3*    C  27           H3*        C  27  75.690  38.688 -93.998
  285   1H2*    C  27          1H2*        C  27  77.000  40.492 -94.505
  286   2HO*    C  27          2HO*        C  27  77.156  40.696 -91.734
  287    H1*    C  27           H1*        C  27  79.358  39.660 -93.227
  288   1H4     C  27          1H4         C  27  80.824  39.414 -99.336
  289   2H4     C  27          2H4         C  27  80.356  37.727 -99.350
  290    H5     C  27           H5         C  27  79.078  36.699 -97.577
  291    H6     C  27           H6         C  27  78.241  36.988 -95.288
  292   1H5*    G  28          1H5*        G  28  73.317  43.193 -92.309
  293   2H5*    G  28          2H5*        G  28  74.707  42.443 -91.538
  294    H4*    G  28           H4*        G  28  75.526  44.530 -92.205
  295    H3*    G  28           H3*        G  28  73.742  44.130 -94.582
  296   1H2*    G  28          1H2*        G  28  75.159  45.221 -96.031
  297   2HO*    G  28          2HO*        G  28  76.987  46.466 -95.115
  298    H1*    G  28           H1*        G  28  77.573  44.465 -94.962
  299    H8     G  28           H8         G  28  75.266  41.497 -95.276
  300    H1     G  28           H1         G  28  78.355  42.915-100.661
  301   1H2     G  28          1H2         G  28  79.011  45.971 -99.123
  302   2H2     G  28          2H2         G  28  79.198  44.963-100.540
  303   1H5*    A  29          1H5*        A  29  73.285  49.325 -95.060
  304   2H5*    A  29          2H5*        A  29  74.456  48.277 -94.272
  305    H4*    A  29           H4*        A  29  75.657  49.341 -95.999
  306    H3*    A  29           H3*        A  29  73.213  48.784 -97.675
  307   1H2*    A  29          1H2*        A  29  74.535  48.726 -99.592
  308   2HO*    A  29          2HO*        A  29  76.774  49.442 -99.471
  309    H1*    A  29           H1*        A  29  76.756  47.540 -98.419
  310    H8     A  29           H8         A  29  73.700  45.549 -97.544
  311   1H6     A  29          1H6         A  29  74.610  42.546-102.862
  312   2H6     A  29          2H6         A  29  73.823  42.485-101.298
  313    H2     A  29           H2         A  29  77.032  46.332-102.946
  314   1H5*    G  30          1H5*        G  30  72.560  52.448-100.756
  315   2H5*    G  30          2H5*        G  30  74.103  51.965-100.068
  316    H4*    G  30           H4*        G  30  74.152  51.265-102.333
  317    H3*    G  30           H3*        G  30  71.349  50.323-101.781
  318   1H2*    G  30          1H2*        G  30  71.569  48.572-103.292
  319   2HO*    G  30          2HO*        G  30  73.876  49.970-104.216
  320    H1*    G  30           H1*        G  30  74.138  47.873-102.699
  321    H8     G  30           H8         G  30  72.160  48.543 -99.520
  322    H1     G  30           H1         G  30  71.336  42.730-101.973
  323   1H2     G  30          1H2         G  30  72.720  44.106-104.854
  324   2H2     G  30          2H2         G  30  72.032  42.699-104.077
  325   1H5*    G  31          1H5*        G  31  69.336  52.013-106.458
  326   2H5*    G  31          2H5*        G  31  71.025  51.669-106.107
  327    H4*    G  31           H4*        G  31  70.412  50.129-107.799
  328    H3*    G  31           H3*        G  31  67.876  49.949-106.224
  329   1H2*    G  31          1H2*        G  31  67.574  47.687-106.682
  330   2HO*    G  31          2HO*        G  31  69.495  48.130-108.747
  331    H1*    G  31           H1*        G  31  70.176  46.879-106.499
  332    H8     G  31           H8         G  31  69.369  49.382-103.778
  333    H1     G  31           H1         G  31  67.831  43.390-102.237
  334   1H2     G  31          1H2         G  31  68.096  42.745-105.637
  335   2H2     G  31          2H2         G  31  67.750  42.130-104.038
  336   1H5*    G  32          1H5*        G  32  65.725  47.833-110.181
  337   2H5*    G  32          2H5*        G  32  67.304  48.115-109.464
  338    H4*    G  32           H4*        G  32  67.007  45.857-109.069
  339    H3*    G  32           H3*        G  32  64.098  46.526-108.687
  340   1H2*    G  32          1H2*        G  32  63.847  44.706-107.253
  341   2HO*    G  32          2HO*        G  32  65.982  43.692-108.779
  342    H1*    G  32           H1*        G  32  66.525  44.615-106.343
  343    H8     G  32           H8         G  32  64.990  47.880-105.392
  344    H1     G  32           H1         G  32  63.521  43.111-101.439
  345   1H2     G  32          1H2         G  32  64.482  41.046-104.074
  346   2H2     G  32          2H2         G  32  63.866  41.163-102.441
  347   1H5*    U  33          1H5*        U  33  64.300  44.080-113.430
  348   2H5*    U  33          2H5*        U  33  62.838  45.037-113.798
  349    H4*    U  33           H4*        U  33  64.395  45.127-115.665
  350    H3*    U  33           H3*        U  33  66.393  45.171-113.675
  351   1H2*    U  33          1H2*        U  33  66.533  47.414-113.307
  352   2HO*    U  33          2HO*        U  33  68.391  46.960-114.639
  353    H1*    U  33           H1*        U  33  65.562  48.243-115.999
  354    H3     U  33           H3         U  33  65.424  52.405-114.366
  355    H5     U  33           H5         U  33  63.603  50.142-111.311
  356    H6     U  33           H6         U  33  64.087  48.140-112.596
  357   1H5*    C  34          1H5*        C  34  69.126  42.087-117.090
  358   2H5*    C  34          2H5*        C  34  69.336  43.702-117.831
  359    H4*    C  34           H4*        C  34  71.489  42.431-117.474
  360    H3*    C  34           H3*        C  34  70.451  42.578-114.683
  361   1H2*    C  34          1H2*        C  34  72.431  43.207-113.738
  362   2HO*    C  34          2HO*        C  34  74.442  42.879-114.793
  363    H1*    C  34           H1*        C  34  73.470  44.758-115.777
  364   1H4     C  34          1H4         C  34  69.536  47.682-111.282
  365   2H4     C  34          2H4         C  34  71.095  48.463-111.147
  366    H5     C  34           H5         C  34  69.080  45.936-112.896
  367    H6     C  34           H6         C  34  69.980  44.549-114.648
  368   1H5*    A  35          1H5*        A  35  74.155  39.489-113.799
  369   2H5*    A  35          2H5*        A  35  73.503  40.886-114.696
  370    H4*    A  35           H4*        A  35  75.144  41.881-113.457
  371    H3*    A  35           H3*        A  35  75.040  39.576-111.841
  372   1H2*    A  35          1H2*        A  35  73.809  40.348-110.107
  373   2HO*    A  35          2HO*        A  35  76.131  41.974-109.732
  374    H1*    A  35           H1*        A  35  74.434  43.226-110.506
  375    H8     A  35           H8         A  35  71.221  42.452-111.703
  376   1H6     A  35          1H6         A  35  68.470  43.072-107.802
  377   2H6     A  35          2H6         A  35  68.823  43.090-106.091
  378    H2     A  35           H2         A  35  73.244  42.473-105.644
  379   1H5*    U  36          1H5*        U  36  80.123  41.956-110.975
  380   2H5*    U  36          2H5*        U  36  78.591  42.339-111.739
  381    H4*    U  36           H4*        U  36  79.090  44.242-110.487
  382    H3*    U  36           H3*        U  36  80.013  42.312-108.370
  383   1H2*    U  36          1H2*        U  36  79.505  43.835-106.718
  384   2HO*    U  36          2HO*        U  36  79.203  46.070-107.185
  385    H1*    U  36           H1*        U  36  77.324  45.035-107.983
  386    H3     U  36           H3         U  36  76.034  43.602-103.886
  387    H5     U  36           H5         U  36  75.609  40.323-106.493
  388    H6     U  36           H6         U  36  76.899  41.528-108.140
  389   1H5*    C  37          1H5*        C  37  84.050  45.570-107.504
  390   2H5*    C  37          2H5*        C  37  82.503  45.537-108.342
  391    H4*    C  37           H4*        C  37  82.216  46.861-106.386
  392    H3*    C  37           H3*        C  37  83.542  44.558-104.948
  393   1H2*    C  37          1H2*        C  37  82.315  45.066-103.052
  394   2HO*    C  37          2HO*        C  37  81.276  47.133-102.834
  395    H1*    C  37           H1*        C  37  80.061  46.086-104.377
  396   1H4     C  37          1H4         C  37  78.212  40.949-101.239
  397   2H4     C  37          2H4         C  37  78.476  39.998-102.681
  398    H5     C  37           H5         C  37  79.647  40.830-104.619
  399    H6     C  37           H6         C  37  80.637  42.810-105.657
  400   1H5*    G  38          1H5*        G  38  86.488  47.911-101.816
  401   2H5*    G  38          2H5*        G  38  85.125  48.392-102.818
  402    H4*    G  38           H4*        G  38  84.422  48.997-100.680
  403    H3*    G  38           H3*        G  38  85.942  46.559 -99.822
  404   1H2*    G  38          1H2*        G  38  84.521  46.092 -98.073
  405   2HO*    G  38          2HO*        G  38  82.919  47.726 -97.423
  406    H1*    G  38           H1*        G  38  82.148  46.879 -99.212
  407    H8     G  38           H8         G  38  84.186  44.774-101.604
  408    H1     G  38           H1         G  38  80.760  41.365 -97.453
  409   1H2     G  38          1H2         G  38  80.534  44.342 -95.664
  410   2H2     G  38          2H2         G  38  80.132  42.642 -95.756
  411   1H5*    G  39          1H5*        G  39  87.355  47.975 -95.317
  412   2H5*    G  39          2H5*        G  39  86.132  48.519 -96.459
  413    H4*    G  39           H4*        G  39  84.895  47.155 -95.059
  414    H3*    G  39           H3*        G  39  87.428  45.593 -94.781
  415   1H2*    G  39          1H2*        G  39  86.294  43.536 -94.704
  416   2HO*    G  39          2HO*        G  39  84.252  43.406 -93.777
  417    H1*    G  39           H1*        G  39  83.826  44.384 -95.771
  418    H8     G  39           H8         G  39  86.268  44.345 -98.559
  419    H1     G  39           H1         G  39  83.769  38.653 -97.130
  420   1H2     G  39          1H2         G  39  82.956  38.690 -95.067
  421   2H2     G  39          2H2         G  39  83.027  40.118 -94.059
  422   1H5*    A  40          1H5*        A  40  88.462  45.094 -90.221
  423   2H5*    A  40          2H5*        A  40  87.460  45.810 -88.960
  424    H4*    A  40           H4*        A  40  86.846  43.738 -88.304
  425    H3*    A  40           H3*        A  40  88.535  42.924 -90.695
  426   1H2*    A  40          1H2*        A  40  87.788  40.696 -90.424
  427   2HO*    A  40          2HO*        A  40  86.591  41.682 -88.030
  428    H1*    A  40           H1*        A  40  85.226  41.325 -90.387
  429    H8     A  40           H8         A  40  87.068  43.830 -92.494
  430   1H6     A  40          1H6         A  40  86.729  39.667 -97.057
  431   2H6     A  40          2H6         A  40  86.974  41.360 -96.680
  432    H2     A  40           H2         A  40  85.691  37.594 -93.210
  433   1H5*    A  41          1H5*        A  41  89.654  39.662 -86.821
  434   2H5*    A  41          2H5*        A  41  88.427  40.759 -87.527
  435    H4*    A  41           H4*        A  41  87.466  38.536 -87.331
  436    H3*    A  41           H3*        A  41  90.074  37.747 -88.557
  437   1H2*    A  41          1H2*        A  41  89.177  36.204 -89.989
  438   2HO*    A  41          2HO*        A  41  86.813  36.238 -88.394
  439    H1*    A  41           H1*        A  41  86.761  37.402 -90.517
  440    H8     A  41           H8         A  41  89.651  39.819 -90.808
  441   1H6     A  41          1H6         A  41  90.974  38.919 -95.362
  442   2H6     A  41          2H6         A  41  90.545  37.667 -96.505
  443    H2     A  41           H2         A  41  87.578  34.998 -94.445
  444   1H5*    C  42          1H5*        C  42  90.268  33.219 -86.925
  445   2H5*    C  42          2H5*        C  42  89.094  33.852 -88.116
  446    H4*    C  42           H4*        C  42  90.385  31.806 -88.850
  447    H3*    C  42           H3*        C  42  92.616  33.759 -88.476
  448   1H2*    C  42          1H2*        C  42  93.620  33.250 -90.448
  449   2HO*    C  42          2HO*        C  42  92.238  30.774 -90.430
  450    H1*    C  42           H1*        C  42  91.444  32.377 -91.894
  451   1H4     C  42          1H4         C  42  93.308  37.684 -94.791
  452   2H4     C  42          2H4         C  42  93.081  38.627 -93.335
  453    H5     C  42           H5         C  42  92.351  37.677 -91.251
  454    H6     C  42           H6         C  42  91.720  35.609 -90.090
  455   1H5*    C  43          1H5*        C  43  95.359  29.410 -88.718
  456   2H5*    C  43          2H5*        C  43  93.906  30.103 -89.498
  457    H4*    C  43           H4*        C  43  95.626  29.299 -91.126
  458    H3*    C  43           H3*        C  43  97.264  31.253 -89.568
  459   1H2*    C  43          1H2*        C  43  98.248  32.191 -91.399
  460   2HO*    C  43          2HO*        C  43  97.443  29.900 -92.900
  461    H1*    C  43           H1*        C  43  96.176  31.928 -93.234
  462   1H4     C  43          1H4         C  43  96.547  38.039 -91.479
  463   2H4     C  43          2H4         C  43  95.946  37.652 -89.882
  464    H5     C  43           H5         C  43  95.480  35.405 -89.154
  465    H6     C  43           H6         C  43  95.423  33.033 -89.836
  466   1H5*    A  44          1H5*        A  44 100.544  31.249 -87.170
  467   2H5*    A  44          2H5*        A  44 101.399  30.068 -88.211
  468    H4*    A  44           H4*        A  44 102.526  32.263 -88.224
  469    H3*    A  44           H3*        A  44  99.785  33.202 -88.563
  470   1H2*    A  44          1H2*        A  44  99.858  33.839 -90.678
  471   2HO*    A  44          2HO*        A  44 100.749  35.793 -89.825
  472    H1*    A  44           H1*        A  44 102.732  33.427 -91.194
  473    H8     A  44           H8         A  44  99.981  30.848 -91.736
  474   1H6     A  44          1H6         A  44  99.406  31.375 -96.506
  475   2H6     A  44          2H6         A  44 100.050  32.512 -97.669
  476    H2     A  44           H2         A  44 102.713  35.331 -95.396
  477    H3T    A  44           H3T        A  44 101.347  34.001 -87.054
   
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  60.995  38.907-114.600
    2   2H5*    G   1          2H5*        G   1  61.470  40.513-113.977
    3    H4*    G   1           H4*        G   1  61.812  38.239-112.590
    4    H3*    G   1           H3*        G   1  58.945  38.906-112.321
    5   1H2*    G   1          1H2*        G   1  59.000  39.568-110.174
    6   2HO*    G   1          2HO*        G   1  60.807  37.452-109.559
    7    H1*    G   1           H1*        G   1  61.878  39.169-109.693
    8    H8     G   1           H8         G   1  60.930  42.430-111.051
    9    H1     G   1           H1         G   1  60.306  42.260-104.724
   10   1H2     G   1          1H2         G   1  60.536  38.824-105.129
   11   2H2     G   1          2H2         G   1  60.331  40.172-104.035
   12    H5T    G   1           H5T        G   1  59.314  40.761-113.246
   13   1H5*    G   2          1H5*        G   2  59.551  33.757-110.239
   14   2H5*    G   2          2H5*        G   2  61.231  33.885-109.732
   15    H4*    G   2           H4*        G   2  60.158  32.919-107.880
   16    H3*    G   2           H3*        G   2  57.911  34.757-108.616
   17   1H2*    G   2          1H2*        G   2  57.304  35.166-106.451
   18   2HO*    G   2          2HO*        G   2  58.668  32.744-105.845
   19    H1*    G   2           H1*        G   2  59.772  34.989-105.219
   20    H8     G   2           H8         G   2  59.953  37.283-108.162
   21    H1     G   2           H1         G   2  57.351  40.090-103.097
   22   1H2     G   2          1H2         G   2  57.055  36.918-101.765
   23   2H2     G   2          2H2         G   2  56.799  38.646-101.568
   24   1H5*    G   3          1H5*        G   3  54.205  31.469-106.813
   25   2H5*    G   3          2H5*        G   3  55.938  31.602-106.527
   26    H4*    G   3           H4*        G   3  54.936  32.353-104.514
   27    H3*    G   3           H3*        G   3  52.972  33.612-106.383
   28   1H2*    G   3          1H2*        G   3  52.735  35.528-105.170
   29   2HO*    G   3          2HO*        G   3  53.560  33.932-102.977
   30    H1*    G   3           H1*        G   3  55.222  35.630-103.951
   31    H8     G   3           H8         G   3  55.475  35.412-107.695
   32    H1     G   3           H1         G   3  54.535  41.318-105.497
   33   1H2     G   3          1H2         G   3  53.535  39.727-102.567
   34   2H2     G   3          2H2         G   3  53.778  41.238-103.415
   35   1H5*    A   4          1H5*        A   4  49.346  32.691-102.187
   36   2H5*    A   4          2H5*        A   4  51.097  32.544-102.191
   37    H4*    A   4           H4*        A   4  50.676  33.999-100.403
   38    H3*    A   4           H3*        A   4  48.481  35.046-102.157
   39   1H2*    A   4          1H2*        A   4  48.707  37.221-101.426
   40   2HO*    A   4          2HO*        A   4  49.979  37.698 -99.518
   41    H1*    A   4           H1*        A   4  51.417  37.327-101.121
   42    H8     A   4           H8         A   4  50.571  35.574-104.318
   43   1H6     A   4          1H6         A   4  50.682  41.127-106.965
   44   2H6     A   4          2H6         A   4  50.769  39.403-107.247
   45    H2     A   4           H2         A   4  50.472  41.704-102.513
   46   1H5*    G   5          1H5*        G   5  45.488  36.554 -98.254
   47   2H5*    G   5          2H5*        G   5  47.203  36.188 -98.394
   48    H4*    G   5           H4*        G   5  47.134  38.529 -98.224
   49    H3*    G   5           H3*        G   5  44.673  38.252 -99.900
   50   1H2*    G   5          1H2*        G   5  45.038  40.200-101.064
   51   2HO*    G   5          2HO*        G   5  46.454  41.840-100.216
   52    H1*    G   5           H1*        G   5  47.845  40.265-100.924
   53    H8     G   5           H8         G   5  46.735  37.026-102.421
   54    H1     G   5           H1         G   5  47.000  41.780-106.657
   55   1H2     G   5          1H2         G   5  46.994  43.745-105.630
   56   2H2     G   5          2H2         G   5  46.938  43.882-103.884
   57   1H5*    C   6          1H5*        C   6  42.097  41.500 -97.250
   58   2H5*    C   6          2H5*        C   6  43.292  41.862 -98.533
   59    H4*    C   6           H4*        C   6  41.215  43.144 -98.867
   60    H3*    C   6           H3*        C   6  40.016  40.418 -98.595
   61   1H2*    C   6          1H2*        C   6  38.557  40.659-100.334
   62   2HO*    C   6          2HO*        C   6  38.964  43.476-100.149
   63    H1*    C   6           H1*        C   6  40.052  42.302-101.993
   64   1H4     C   6          1H4         C   6  40.294  36.477-104.530
   65   2H4     C   6          2H4         C   6  41.377  35.936-103.268
   66    H5     C   6           H5         C   6  42.029  37.318-101.406
   67    H6     C   6           H6         C   6  41.777  39.516-100.348
   68   1H5*    U   7          1H5*        U   7  35.515  41.695 -96.848
   69   2H5*    U   7          2H5*        U   7  36.630  42.380 -98.069
   70    H4*    U   7           H4*        U   7  34.783  41.416 -99.257
   71    H3*    U   7           H3*        U   7  35.168  39.170 -97.320
   72   1H2*    U   7          1H2*        U   7  34.804  37.522 -98.864
   73   2HO*    U   7          2HO*        U   7  33.491  39.476-100.469
   74    H1*    U   7           H1*        U   7  35.675  38.869-101.176
   75    H3     U   7           H3         U   7  38.246  35.201-101.317
   76    H5     U   7           H5         U   7  39.519  37.123 -97.790
   77    H6     U   7           H6         U   7  37.753  38.750 -98.113
   78   1H5*    C   8          1H5*        C   8  32.337  36.709 -96.579
   79   2H5*    C   8          2H5*        C   8  30.620  36.895 -96.109
   80    H4*    C   8           H4*        C   8  30.828  35.181 -97.825
   81    H3*    C   8           H3*        C   8  32.750  37.022 -98.922
   82   1H2*    C   8          1H2*        C   8  31.623  37.898-100.624
   83   2HO*    C   8          2HO*        C   8  31.101  35.189-101.356
   84    H1*    C   8           H1*        C   8  29.219  36.242-100.605
   85   1H4     C   8          1H4         C   8  27.051  42.000-102.019
   86   2H4     C   8          2H4         C   8  28.102  42.736-100.829
   87    H5     C   8           H5         C   8  29.634  41.457 -99.470
   88    H6     C   8           H6         C   8  30.512  39.254 -98.963
   89   1H5*    A   9          1H5*        A   9  33.814  33.234-102.584
   90   2H5*    A   9          2H5*        A   9  32.076  33.545-102.299
   91    H4*    A   9           H4*        A   9  32.727  33.370-104.723
   92    H3*    A   9           H3*        A   9  34.406  35.708-103.895
   93   1H2*    A   9          1H2*        A   9  33.920  36.915-105.779
   94   2HO*    A   9          2HO*        A   9  34.456  35.198-107.233
   95    H1*    A   9           H1*        A   9  31.336  36.014-106.243
   96    H8     A   9           H8         A   9  30.911  37.138-102.901
   97   1H6     A   9          1H6         A   9  32.028  42.976-104.528
   98   2H6     A   9          2H6         A   9  31.380  41.936-103.280
   99    H2     A   9           H2         A   9  33.405  40.302-107.875
  100   1H5*    A  10          1H5*        A  10  38.215  33.787-107.462
  101   2H5*    A  10          2H5*        A  10  36.452  33.496-107.374
  102    H4*    A  10           H4*        A  10  36.734  34.376-109.525
  103    H3*    A  10           H3*        A  10  38.883  36.037-108.268
  104   1H2*    A  10          1H2*        A  10  38.457  37.879-109.567
  105   2HO*    A  10          2HO*        A  10  37.298  37.741-111.530
  106    H1*    A  10           H1*        A  10  35.732  37.679-109.818
  107    H8     A  10           H8         A  10  36.503  37.184-106.213
  108   1H6     A  10          1H6         A  10  37.460  43.248-105.744
  109   2H6     A  10          2H6         A  10  37.185  41.769-104.853
  110    H2     A  10           H2         A  10  37.318  42.178-110.104
  111   1H5*    C  11          1H5*        C  11  41.493  36.445-112.666
  112   2H5*    C  11          2H5*        C  11  39.741  36.342-112.321
  113    H4*    C  11           H4*        C  11  40.219  38.480-113.364
  114    H3*    C  11           H3*        C  11  42.413  38.549-111.329
  115   1H2*    C  11          1H2*        C  11  42.124  40.766-110.828
  116   2HO*    C  11          2HO*        C  11  42.193  41.449-113.030
  117    H1*    C  11           H1*        C  11  39.407  40.996-111.212
  118   1H4     C  11          1H4         C  11  40.874  39.352-104.959
  119   2H4     C  11          2H4         C  11  40.343  41.019-104.932
  120    H5     C  11           H5         C  11  41.093  38.070-106.984
  121    H6     C  11           H6         C  11  40.877  38.112-109.424
  122   1H5*    U  12          1H5*        U  12  44.704  42.076-114.703
  123   2H5*    U  12          2H5*        U  12  42.935  41.871-114.544
  124    H4*    U  12           H4*        U  12  43.529  44.232-114.369
  125    H3*    U  12           H3*        U  12  45.477  43.169-112.362
  126   1H2*    U  12          1H2*        U  12  45.143  44.882-110.875
  127   2HO*    U  12          2HO*        U  12  44.014  46.381-113.019
  128    H1*    U  12           H1*        U  12  42.462  45.459-111.453
  129    H3     U  12           H3         U  12  41.763  44.290-107.204
  130    H5     U  12           H5         U  12  44.018  41.049-108.679
  131    H6     U  12           H6         U  12  44.118  42.184-110.824
  132   1H5*    C  13          1H5*        C  13  48.538  47.333-113.042
  133   2H5*    C  13          2H5*        C  13  46.826  46.980-113.253
  134    H4*    C  13           H4*        C  13  47.035  48.525-111.420
  135    H3*    C  13           H3*        C  13  49.249  46.673-110.617
  136   1H2*    C  13          1H2*        C  13  48.762  46.836-108.348
  137   2HO*    C  13          2HO*        C  13  47.257  48.408-107.570
  138    H1*    C  13           H1*        C  13  46.112  46.720-108.450
  139   1H4     C  13          1H4         C  13  47.327  40.546-107.992
  140   2H4     C  13          2H4         C  13  47.518  40.464-109.729
  141    H5     C  13           H5         C  13  47.692  42.414-111.128
  142    H6     C  13           H6         C  13  47.574  44.858-111.182
  143   1H5*    U  14          1H5*        U  14  51.911  50.108-107.871
  144   2H5*    U  14          2H5*        U  14  50.194  50.151-108.256
  145    H4*    U  14           H4*        U  14  50.187  49.793-105.960
  146    H3*    U  14           H3*        U  14  52.655  48.160-106.479
  147   1H2*    U  14          1H2*        U  14  52.179  46.694-104.755
  148   2HO*    U  14          2HO*        U  14  50.555  47.239-103.160
  149    H1*    U  14           H1*        U  14  49.434  46.668-104.941
  150    H3     U  14           H3         U  14  50.756  42.409-105.675
  151    H5     U  14           H5         U  14  51.240  44.360-109.377
  152    H6     U  14           H6         U  14  50.946  46.468-108.230
  153   1H5*    C  15          1H5*        C  15  53.975  49.507-101.572
  154   2H5*    C  15          2H5*        C  15  52.587  49.528-102.653
  155    H4*    C  15           H4*        C  15  52.186  47.820-101.037
  156    H3*    C  15           H3*        C  15  55.036  47.065-101.623
  157   1H2*    C  15          1H2*        C  15  54.589  44.819-101.341
  158   2HO*    C  15          2HO*        C  15  52.585  44.133-100.334
  159    H1*    C  15           H1*        C  15  52.031  44.771-102.311
  160   1H4     C  15          1H4         C  15  55.347  42.039-106.915
  161   2H4     C  15          2H4         C  15  55.640  43.614-107.623
  162    H5     C  15           H5         C  15  55.235  45.682-106.440
  163    H6     C  15           H6         C  15  54.156  46.692-104.501
  164   1H5*    C  16          1H5*        C  16  55.798  45.696 -96.613
  165   2H5*    C  16          2H5*        C  16  54.388  45.819 -97.654
  166    H4*    C  16           H4*        C  16  54.726  43.512 -96.996
  167    H3*    C  16           H3*        C  16  57.482  43.915 -98.174
  168   1H2*    C  16          1H2*        C  16  57.504  41.612 -98.709
  169   2HO*    C  16          2HO*        C  16  55.025  41.385 -97.310
  170    H1*    C  16           H1*        C  16  54.964  41.544 -99.655
  171   1H4     C  16          1H4         C  16  58.377  44.121-104.637
  172   2H4     C  16          2H4         C  16  58.469  42.388-104.862
  173    H5     C  16           H5         C  16  57.411  45.149-102.701
  174    H6     C  16           H6         C  16  56.378  44.744-100.505
  175   1H5*    C  17          1H5*        C  17  59.947  40.436 -95.674
  176   2H5*    C  17          2H5*        C  17  58.233  40.795 -95.840
  177    H4*    C  17           H4*        C  17  58.537  39.042 -97.342
  178    H3*    C  17           H3*        C  17  61.193  40.337 -97.880
  179   1H2*    C  17          1H2*        C  17  61.217  39.567-100.062
  180   2HO*    C  17          2HO*        C  17  59.455  37.591 -99.051
  181    H1*    C  17           H1*        C  17  58.436  39.524-100.467
  182   1H4     C  17          1H4         C  17  60.217  45.165-103.205
  183   2H4     C  17          2H4         C  17  60.387  43.966-104.474
  184    H5     C  17           H5         C  17  59.894  44.596-100.868
  185    H6     C  17           H6         C  17  59.465  42.766 -99.293
  186   1H5*    C  18          1H5*        C  18  63.433  35.559 -98.174
  187   2H5*    C  18          2H5*        C  18  61.798  36.167 -98.394
  188    H4*    C  18           H4*        C  18  62.507  35.276-100.493
  189    H3*    C  18           H3*        C  18  65.011  36.821 -99.912
  190   1H2*    C  18          1H2*        C  18  65.358  37.281-102.160
  191   2HO*    C  18          2HO*        C  18  63.852  36.160-103.727
  192    H1*    C  18           H1*        C  18  62.721  37.617-102.903
  193   1H4     C  18          1H4         C  18  64.839  43.588-102.296
  194   2H4     C  18          2H4         C  18  64.438  43.527-100.599
  195    H5     C  18           H5         C  18  63.841  41.527 -99.465
  196    H6     C  18           H6         C  18  63.315  39.154 -99.704
  197   1H5*    C  19          1H5*        C  19  68.238  33.073-101.533
  198   2H5*    C  19          2H5*        C  19  66.515  33.409-101.677
  199    H4*    C  19           H4*        C  19  67.636  34.505-103.491
  200    H3*    C  19           H3*        C  19  69.451  35.574-101.320
  201   1H2*    C  19          1H2*        C  19  69.645  37.582-102.424
  202   2HO*    C  19          2HO*        C  19  68.756  36.226-104.763
  203    H1*    C  19           H1*        C  19  67.135  37.575-103.696
  204   1H4     C  19          1H4         C  19  67.287  42.515 -99.724
  205   2H4     C  19          2H4         C  19  66.679  41.488 -98.438
  206    H5     C  19           H5         C  19  66.520  39.066 -98.627
  207    H6     C  19           H6         C  19  66.827  37.142-100.128
  208   1H5*    C  20          1H5*        C  20  71.954  35.574-106.184
  209   2H5*    C  20          2H5*        C  20  70.653  35.966-107.287
  210    H4*    C  20           H4*        C  20  71.823  37.895-107.515
  211    H3*    C  20           H3*        C  20  72.817  37.525-104.691
  212   1H2*    C  20          1H2*        C  20  73.618  39.722-104.818
  213   2HO*    C  20          2HO*        C  20  73.010  40.669-107.130
  214    H1*    C  20           H1*        C  20  71.428  40.640-106.174
  215   1H4     C  20          1H4         C  20  70.541  42.787-100.324
  216   2H4     C  20          2H4         C  20  69.902  41.230 -99.835
  217    H5     C  20           H5         C  20  70.116  39.248-101.190
  218    H6     C  20           H6         C  20  70.687  38.394-103.448
  219   1H5*    C  21          1H5*        C  21  77.485  37.310-106.842
  220   2H5*    C  21          2H5*        C  21  75.962  38.244-106.787
  221    H4*    C  21           H4*        C  21  77.823  39.700-106.261
  222    H3*    C  21           H3*        C  21  78.513  37.493-104.351
  223   1H2*    C  21          1H2*        C  21  79.200  38.957-102.713
  224   2HO*    C  21          2HO*        C  21  80.656  40.053-104.117
  225    H1*    C  21           H1*        C  21  77.579  41.151-103.445
  226   1H4     C  21          1H4         C  21  76.132  38.850 -97.635
  227   2H4     C  21          2H4         C  21  74.596  38.380 -98.325
  228    H5     C  21           H5         C  21  74.125  38.483-100.678
  229    H6     C  21           H6         C  21  74.986  39.113-102.885
  230   1H5*    U  22          1H5*        U  22  82.748  39.189-107.290
  231   2H5*    U  22          2H5*        U  22  83.409  40.778-106.802
  232    H4*    U  22           H4*        U  22  84.187  39.771-104.672
  233    H3*    U  22           H3*        U  22  85.285  39.430-107.243
  234   1H2*    U  22          1H2*        U  22  84.950  37.202-107.534
  235   2HO*    U  22          2HO*        U  22  87.167  37.212-107.155
  236    H1*    U  22           H1*        U  22  84.975  36.497-104.640
  237    H3     U  22           H3         U  22  84.001  32.429-106.343
  238    H5     U  22           H5         U  22  80.848  34.879-107.690
  239    H6     U  22           H6         U  22  82.033  36.790-106.780
  240   1H5*    U  23          1H5*        U  23  87.896  36.825-105.761
  241   2H5*    U  23          2H5*        U  23  89.342  37.167-106.757
  242    H4*    U  23           H4*        U  23  89.804  35.423-105.133
  243    H3*    U  23           H3*        U  23  88.691  37.515-103.270
  244   1H2*    U  23          1H2*        U  23  90.298  37.373-101.696
  245   2HO*    U  23          2HO*        U  23  90.767  34.720-102.600
  246    H1*    U  23           H1*        U  23  92.373  36.290-103.214
  247    H3     U  23           H3         U  23  94.624  39.919-101.850
  248    H5     U  23           H5         U  23  90.977  41.532-103.222
  249    H6     U  23           H6         U  23  90.249  39.265-103.731
  250   1H5*    U  24          1H5*        U  24  87.550  32.177-104.333
  251   2H5*    U  24          2H5*        U  24  88.641  33.366-103.610
  252    H4*    U  24           H4*        U  24  88.230  30.933-102.572
  253    H3*    U  24           H3*        U  24  86.204  32.818-101.431
  254   1H2*    U  24          1H2*        U  24  86.631  32.171 -99.272
  255   2HO*    U  24          2HO*        U  24  87.688  30.201 -98.781
  256    H1*    U  24           H1*        U  24  89.351  31.645 -99.554
  257    H3     U  24           H3         U  24  88.560  34.759 -96.283
  258    H5     U  24           H5         U  24  88.633  36.892 -99.915
  259    H6     U  24           H6         U  24  88.672  34.765-101.081
  260   1H5*    U  25          1H5*        U  25  82.386  29.958-100.103
  261   2H5*    U  25          2H5*        U  25  84.095  29.548-100.121
  262    H4*    U  25           H4*        U  25  83.431  29.767 -97.837
  263    H3*    U  25           H3*        U  25  82.190  32.358 -98.753
  264   1H2*    U  25          1H2*        U  25  82.575  33.290 -96.639
  265   2HO*    U  25          2HO*        U  25  83.316  31.941 -94.894
  266    H1*    U  25           H1*        U  25  85.030  32.206 -96.238
  267    H3     U  25           H3         U  25  85.566  36.695 -96.552
  268    H5     U  25           H5         U  25  85.668  35.266-100.514
  269    H6     U  25           H6         U  25  84.902  33.119 -99.691
  270   1H5*    C  26          1H5*        C  26  77.835  32.228 -96.147
  271   2H5*    C  26          2H5*        C  26  79.393  31.463 -95.868
  272    H4*    C  26           H4*        C  26  79.269  33.198 -94.280
  273    H3*    C  26           H3*        C  26  78.123  34.792 -96.553
  274   1H2*    C  26          1H2*        C  26  79.046  36.751 -95.744
  275   2HO*    C  26          2HO*        C  26  79.782  36.853 -93.515
  276    H1*    C  26           H1*        C  26  81.265  35.634 -94.464
  277   1H4     C  26          1H4         C  26  83.955  39.026 -99.010
  278   2H4     C  26          2H4         C  26  83.864  37.641-100.077
  279    H5     C  26           H5         C  26  82.547  35.677 -99.583
  280    H6     C  26           H6         C  26  81.200  34.542 -97.885
  281   1H5*    C  27          1H5*        C  27  74.819  37.817 -94.761
  282   2H5*    C  27          2H5*        C  27  74.439  37.766 -93.022
  283    H4*    C  27           H4*        C  27  76.258  39.132 -92.481
  284    H3*    C  27           H3*        C  27  75.057  39.944 -95.123
  285   1H2*    C  27          1H2*        C  27  76.658  41.562 -95.472
  286   2HO*    C  27          2HO*        C  27  76.531  41.713 -92.724
  287    H1*    C  27           H1*        C  27  78.750  40.338 -94.017
  288   1H4     C  27          1H4         C  27  80.891  40.363 -99.903
  289   2H4     C  27          2H4         C  27  80.295  38.726-100.086
  290    H5     C  27           H5         C  27  78.723  37.716 -98.549
  291    H6     C  27           H6         C  27  77.633  37.951 -96.363
  292   1H5*    G  28          1H5*        G  28  73.400  44.654 -92.625
  293   2H5*    G  28          2H5*        G  28  74.442  43.396 -91.980
  294    H4*    G  28           H4*        G  28  75.825  45.234 -91.814
  295    H3*    G  28           H3*        G  28  74.333  46.276 -94.183
  296   1H2*    G  28          1H2*        G  28  76.138  47.306 -95.149
  297   2HO*    G  28          2HO*        G  28  78.036  47.788 -93.926
  298    H1*    G  28           H1*        G  28  78.163  45.613 -94.400
  299    H8     G  28           H8         G  28  75.281  43.530 -95.540
  300    H1     G  28           H1         G  28  79.053  45.317-100.335
  301   1H2     G  28          1H2         G  28  80.251  47.746 -98.185
  302   2H2     G  28          2H2         G  28  80.306  47.016 -99.782
  303   1H5*    A  29          1H5*        A  29  73.560  50.146 -94.897
  304   2H5*    A  29          2H5*        A  29  74.758  51.279 -94.283
  305    H4*    A  29           H4*        A  29  75.606  51.511 -96.355
  306    H3*    A  29           H3*        A  29  73.508  49.421 -97.064
  307   1H2*    A  29          1H2*        A  29  74.357  49.532 -99.283
  308   2HO*    A  29          2HO*        A  29  76.159  51.570 -98.429
  309    H1*    A  29           H1*        A  29  76.968  49.496 -98.507
  310    H8     A  29           H8         A  29  74.861  46.915 -96.613
  311   1H6     A  29          1H6         A  29  75.399  43.388-101.682
  312   2H6     A  29          2H6         A  29  74.947  43.393 -99.986
  313    H2     A  29           H2         A  29  76.879  47.504-102.659
  314   1H5*    G  30          1H5*        G  30  72.311  53.451-100.208
  315   2H5*    G  30          2H5*        G  30  73.401  52.578 -99.133
  316    H4*    G  30           H4*        G  30  73.819  52.131-101.546
  317    H3*    G  30           H3*        G  30  70.995  51.094-101.361
  318   1H2*    G  30          1H2*        G  30  71.484  49.339-102.800
  319   2HO*    G  30          2HO*        G  30  73.958  50.658-103.374
  320    H1*    G  30           H1*        G  30  74.008  48.790-101.867
  321    H8     G  30           H8         G  30  71.714  49.250 -98.921
  322    H1     G  30           H1         G  30  71.200  43.563-101.746
  323   1H2     G  30          1H2         G  30  72.944  45.078-104.345
  324   2H2     G  30          2H2         G  30  72.172  43.633-103.731
  325   1H5*    G  31          1H5*        G  31  69.725  51.196-106.188
  326   2H5*    G  31          2H5*        G  31  71.303  51.163-105.416
  327    H4*    G  31           H4*        G  31  71.104  48.996-106.224
  328    H3*    G  31           H3*        G  31  68.187  49.185-105.466
  329   1H2*    G  31          1H2*        G  31  68.135  46.867-105.166
  330   2HO*    G  31          2HO*        G  31  70.113  45.678-106.032
  331    H1*    G  31           H1*        G  31  70.827  46.549-104.470
  332    H8     G  31           H8         G  31  68.944  48.721-102.076
  333    H1     G  31           H1         G  31  67.844  42.464-101.376
  334   1H2     G  31          1H2         G  31  69.327  42.198-104.506
  335   2H2     G  31          2H2         G  31  68.563  41.385-103.161
  336   1H5*    G  32          1H5*        G  32  66.309  49.053-110.999
  337   2H5*    G  32          2H5*        G  32  68.022  48.860-110.696
  338    H4*    G  32           H4*        G  32  67.487  46.772-111.491
  339    H3*    G  32           H3*        G  32  64.797  47.154-110.224
  340   1H2*    G  32          1H2*        G  32  64.501  44.871-109.888
  341   2HO*    G  32          2HO*        G  32  66.285  43.482-111.009
  342    H1*    G  32           H1*        G  32  67.143  44.135-109.456
  343    H8     G  32           H8         G  32  65.997  47.053-107.391
  344    H1     G  32           H1         G  32  64.754  41.596-104.438
  345   1H2     G  32          1H2         G  32  65.240  40.046-107.476
  346   2H2     G  32          2H2         G  32  64.825  39.901-105.769
  347   1H5*    U  33          1H5*        U  33  63.569  43.415-112.541
  348   2H5*    U  33          2H5*        U  33  62.203  43.896-113.595
  349    H4*    U  33           H4*        U  33  63.143  41.849-114.460
  350    H3*    U  33           H3*        U  33  65.581  42.794-113.471
  351   1H2*    U  33          1H2*        U  33  66.262  44.103-115.196
  352   2HO*    U  33          2HO*        U  33  66.583  41.541-116.424
  353    H1*    U  33           H1*        U  33  64.853  42.609-117.353
  354    H3     U  33           H3         U  33  65.702  46.029-120.100
  355    H5     U  33           H5         U  33  64.702  47.973-116.496
  356    H6     U  33           H6         U  33  64.460  45.791-115.462
  357   1H5*    C  34          1H5*        C  34  68.476  38.996-114.891
  358   2H5*    C  34          2H5*        C  34  67.815  40.348-115.862
  359    H4*    C  34           H4*        C  34  70.240  40.271-116.133
  360    H3*    C  34           H3*        C  34  70.132  40.094-113.156
  361   1H2*    C  34          1H2*        C  34  71.896  41.526-112.798
  362   2HO*    C  34          2HO*        C  34  72.603  41.195-115.547
  363    H1*    C  34           H1*        C  34  71.497  43.275-114.889
  364   1H4     C  34          1H4         C  34  68.621  44.535-109.042
  365   2H4     C  34          2H4         C  34  69.617  45.917-109.437
  366    H5     C  34           H5         C  34  68.325  42.643-110.532
  367    H6     C  34           H6         C  34  69.005  41.659-112.653
  368   1H5*    A  35          1H5*        A  35  74.808  39.071-112.897
  369   2H5*    A  35          2H5*        A  35  73.662  40.072-113.823
  370    H4*    A  35           H4*        A  35  74.918  41.664-112.779
  371    H3*    A  35           H3*        A  35  75.683  39.624-110.979
  372   1H2*    A  35          1H2*        A  35  74.333  40.191-109.207
  373   2HO*    A  35          2HO*        A  35  76.096  42.443-109.217
  374    H1*    A  35           H1*        A  35  74.097  43.053-110.038
  375    H8     A  35           H8         A  35  71.222  41.011-110.542
  376   1H6     A  35          1H6         A  35  68.518  42.460-106.778
  377   2H6     A  35          2H6         A  35  68.947  43.176-105.241
  378    H2     A  35           H2         A  35  73.397  43.638-105.211
  379   1H5*    U  36          1H5*        U  36  79.864  43.405-110.894
  380   2H5*    U  36          2H5*        U  36  78.175  43.472-111.357
  381    H4*    U  36           H4*        U  36  78.642  45.516-110.275
  382    H3*    U  36           H3*        U  36  79.937  43.833-108.128
  383   1H2*    U  36          1H2*        U  36  79.497  45.533-106.604
  384   2HO*    U  36          2HO*        U  36  78.916  47.174-108.868
  385    H1*    U  36           H1*        U  36  77.038  46.232-107.659
  386    H3     U  36           H3         U  36  76.579  44.982-103.319
  387    H5     U  36           H5         U  36  76.441  41.411-105.558
  388    H6     U  36           H6         U  36  77.179  42.664-107.500
  389   1H5*    C  37          1H5*        C  37  84.481  46.176-107.241
  390   2H5*    C  37          2H5*        C  37  83.134  47.006-108.005
  391    H4*    C  37           H4*        C  37  83.363  48.130-105.976
  392    H3*    C  37           H3*        C  37  83.989  45.416-104.838
  393   1H2*    C  37          1H2*        C  37  83.085  45.975-102.798
  394   2HO*    C  37          2HO*        C  37  83.574  48.653-103.602
  395    H1*    C  37           H1*        C  37  81.173  47.818-103.687
  396   1H4     C  37          1H4         C  37  77.844  42.987-101.393
  397   2H4     C  37          2H4         C  37  77.875  42.245-102.970
  398    H5     C  37           H5         C  37  79.307  42.985-104.752
  399    H6     C  37           H6         C  37  80.856  44.734-105.478
  400   1H5*    G  38          1H5*        G  38  87.326  48.062-101.322
  401   2H5*    G  38          2H5*        G  38  86.180  48.877-102.380
  402    H4*    G  38           H4*        G  38  85.462  49.608-100.298
  403    H3*    G  38           H3*        G  38  86.489  46.952 -99.364
  404   1H2*    G  38          1H2*        G  38  84.927  46.725 -97.692
  405   2HO*    G  38          2HO*        G  38  84.499  49.522 -98.042
  406    H1*    G  38           H1*        G  38  82.752  47.751 -98.966
  407    H8     G  38           H8         G  38  84.858  45.604-101.283
  408    H1     G  38           H1         G  38  80.675  42.288 -97.808
  409   1H2     G  38          1H2         G  38  80.477  45.159 -95.853
  410   2H2     G  38          2H2         G  38  79.952  43.510 -96.111
  411   1H5*    G  39          1H5*        G  39  87.910  48.279 -94.764
  412   2H5*    G  39          2H5*        G  39  86.705  48.893 -95.886
  413    H4*    G  39           H4*        G  39  85.536  47.770 -94.135
  414    H3*    G  39           H3*        G  39  87.497  45.533 -94.643
  415   1H2*    G  39          1H2*        G  39  85.900  43.991 -93.943
  416   2HO*    G  39          2HO*        G  39  84.589  46.253 -92.829
  417    H1*    G  39           H1*        G  39  83.727  45.230 -95.091
  418    H8     G  39           H8         G  39  86.495  45.115 -97.610
  419    H1     G  39           H1         G  39  83.420  39.556 -97.048
  420   1H2     G  39          1H2         G  39  82.253  39.515 -95.166
  421   2H2     G  39          2H2         G  39  82.221  40.866 -94.052
  422   1H5*    A  40          1H5*        A  40  88.832  44.299 -89.679
  423   2H5*    A  40          2H5*        A  40  87.371  45.174 -90.114
  424    H4*    A  40           H4*        A  40  86.512  43.188 -89.272
  425    H3*    A  40           H3*        A  40  88.965  41.951 -90.481
  426   1H2*    A  40          1H2*        A  40  87.897  39.976 -90.922
  427   2HO*    A  40          2HO*        A  40  85.866  39.463 -89.843
  428    H1*    A  40           H1*        A  40  85.319  40.936 -91.282
  429    H8     A  40           H8         A  40  87.751  42.602 -93.623
  430   1H6     A  40          1H6         A  40  86.546  37.957 -97.480
  431   2H6     A  40          2H6         A  40  87.148  39.593 -97.352
  432    H2     A  40           H2         A  40  85.147  36.758 -93.376
  433   1H5*    A  41          1H5*        A  41  88.212  38.367 -86.536
  434   2H5*    A  41          2H5*        A  41  86.985  39.422 -87.296
  435    H4*    A  41           H4*        A  41  86.172  37.157 -87.366
  436    H3*    A  41           H3*        A  41  88.941  36.557 -88.333
  437   1H2*    A  41          1H2*        A  41  88.245  34.996 -89.871
  438   2HO*    A  41          2HO*        A  41  86.166  34.023 -89.740
  439    H1*    A  41           H1*        A  41  85.847  36.113 -90.609
  440    H8     A  41           H8         A  41  88.999  38.282 -90.391
  441   1H6     A  41          1H6         A  41  90.546  37.771 -94.942
  442   2H6     A  41          2H6         A  41  90.037  36.746 -96.265
  443    H2     A  41           H2         A  41  86.555  34.335 -94.775
  444   1H5*    C  42          1H5*        C  42  89.194  31.938 -86.608
  445   2H5*    C  42          2H5*        C  42  87.984  32.505 -87.797
  446    H4*    C  42           H4*        C  42  89.266  30.481 -88.528
  447    H3*    C  42           H3*        C  42  91.530  32.392 -88.137
  448   1H2*    C  42          1H2*        C  42  92.552  31.844 -90.085
  449   2HO*    C  42          2HO*        C  42  91.123  29.395 -90.054
  450    H1*    C  42           H1*        C  42  90.386  31.013 -91.567
  451   1H4     C  42          1H4         C  42  92.616  36.266 -94.330
  452   2H4     C  42          2H4         C  42  92.343  37.206 -92.880
  453    H5     C  42           H5         C  42  91.447  36.272 -90.852
  454    H6     C  42           H6         C  42  90.647  34.225 -89.763
  455   1H5*    C  43          1H5*        C  43  94.291  27.986 -88.308
  456   2H5*    C  43          2H5*        C  43  92.776  28.617 -89.018
  457    H4*    C  43           H4*        C  43  94.360  27.841 -90.751
  458    H3*    C  43           H3*        C  43  96.162  29.734 -89.300
  459   1H2*    C  43          1H2*        C  43  97.055  30.636 -91.190
  460   2HO*    C  43          2HO*        C  43  96.050  28.402 -92.651
  461    H1*    C  43           H1*        C  43  94.861  30.489 -92.872
  462   1H4     C  43          1H4         C  43  95.533  36.546 -91.021
  463   2H4     C  43          2H4         C  43  94.987  36.147 -89.407
  464    H5     C  43           H5         C  43  94.479  33.901 -88.703
  465    H6     C  43           H6         C  43  94.326  31.546 -89.421
  466   1H5*    A  44          1H5*        A  44  98.590  29.053 -86.729
  467   2H5*    A  44          2H5*        A  44 100.229  28.855 -87.424
  468    H4*    A  44           H4*        A  44  99.950  31.153 -86.678
  469    H3*    A  44           H3*        A  44  97.294  30.802 -87.822
  470   1H2*    A  44          1H2*        A  44  97.454  32.107 -89.593
  471   2HO*    A  44          2HO*        A  44  98.460  34.087 -87.798
  472    H1*    A  44           H1*        A  44 100.115  33.272 -89.092
  473    H8     A  44           H8         A  44  99.222  30.116 -91.062
  474   1H6     A  44          1H6         A  44  99.674  31.911 -95.530
  475   2H6     A  44          2H6         A  44  99.969  33.522 -96.145
  476    H2     A  44           H2         A  44 100.323  36.235 -92.580
  477    H3T    A  44           H3T        A  44  96.960  32.689 -86.543
   
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  60.241  34.730-112.757
    2   2H5*    G   1          2H5*        G   1  61.702  35.406-112.010
    3    H4*    G   1           H4*        G   1  59.911  33.849-110.692
    4    H3*    G   1           H3*        G   1  59.149  36.739-110.283
    5   1H2*    G   1          1H2*        G   1  58.654  36.289-108.043
    6   2HO*    G   1          2HO*        G   1  59.061  33.505-108.600
    7    H1*    G   1           H1*        G   1  60.809  34.766-107.586
    8    H8     G   1           H8         G   1  61.734  37.694-109.674
    9    H1     G   1           H1         G   1  60.102  39.366-103.750
   10   1H2     G   1          1H2         G   1  58.726  36.182-103.563
   11   2H2     G   1          2H2         G   1  59.010  37.711-102.759
   12    H5T    G   1           H5T        G   1  60.503  36.981-113.122
   13   1H5*    G   2          1H5*        G   2  55.696  31.352-110.566
   14   2H5*    G   2          2H5*        G   2  57.329  31.758-110.036
   15    H4*    G   2           H4*        G   2  55.871  30.859-108.202
   16    H3*    G   2           H3*        G   2  54.243  33.248-108.990
   17   1H2*    G   2          1H2*        G   2  53.971  34.031-106.852
   18   2HO*    G   2          2HO*        G   2  54.949  31.527-105.880
   19    H1*    G   2           H1*        G   2  56.400  33.461-105.801
   20    H8     G   2           H8         G   2  56.633  34.702-109.378
   21    H1     G   2           H1         G   2  56.566  39.374-105.022
   22   1H2     G   2          1H2         G   2  55.494  36.898-102.827
   23   2H2     G   2          2H2         G   2  55.899  38.584-103.070
   24   1H5*    G   3          1H5*        G   3  50.076  31.626-106.180
   25   2H5*    G   3          2H5*        G   3  51.773  31.177-106.061
   26    H4*    G   3           H4*        G   3  51.404  32.354-104.067
   27    H3*    G   3           H3*        G   3  49.572  33.990-105.770
   28   1H2*    G   3          1H2*        G   3  50.038  35.968-104.714
   29   2HO*    G   3          2HO*        G   3  51.172  35.868-102.584
   30    H1*    G   3           H1*        G   3  52.637  35.478-103.924
   31    H8     G   3           H8         G   3  52.102  34.897-107.609
   32    H1     G   3           H1         G   3  53.242  40.981-106.089
   33   1H2     G   3          1H2         G   3  52.459  39.994-102.844
   34   2H2     G   3          2H2         G   3  52.923  41.295-103.919
   35   1H5*    A   4          1H5*        A   4  46.305  34.474-101.236
   36   2H5*    A   4          2H5*        A   4  47.941  33.832-101.208
   37    H4*    A   4           H4*        A   4  48.000  35.514 -99.578
   38    H3*    A   4           H3*        A   4  46.126  36.958-101.421
   39   1H2*    A   4          1H2*        A   4  46.962  39.046-100.919
   40   2HO*    A   4          2HO*        A   4  48.075  37.767 -98.633
   41    H1*    A   4           H1*        A   4  49.608  38.449-100.738
   42    H8     A   4           H8         A   4  48.074  36.543-103.573
   43   1H6     A   4          1H6         A   4  49.390  41.405-107.105
   44   2H6     A   4          2H6         A   4  48.983  39.704-107.103
   45    H2     A   4           H2         A   4  49.774  42.654-102.805
   46   1H5*    G   5          1H5*        G   5  44.026  39.746 -97.673
   47   2H5*    G   5          2H5*        G   5  45.478  38.767 -97.835
   48    H4*    G   5           H4*        G   5  46.328  40.905 -98.055
   49    H3*    G   5           H3*        G   5  43.695  41.545 -99.315
   50   1H2*    G   5          1H2*        G   5  44.570  43.062-100.807
   51   2HO*    G   5          2HO*        G   5  46.474  44.202-100.367
   52    H1*    G   5           H1*        G   5  47.220  42.063-100.940
   53    H8     G   5           H8         G   5  45.059  39.337-102.081
   54    H1     G   5           H1         G   5  46.107  43.637-106.647
   55   1H2     G   5          1H2         G   5  46.836  45.542-105.794
   56   2H2     G   5          2H2         G   5  47.060  45.762-104.069
   57   1H5*    C   6          1H5*        C   6  41.304  42.689 -96.339
   58   2H5*    C   6          2H5*        C   6  40.856  44.341 -96.840
   59    H4*    C   6           H4*        C   6  38.913  43.067 -97.172
   60    H3*    C   6           H3*        C   6  40.743  40.944 -98.238
   61   1H2*    C   6          1H2*        C   6  39.211  40.290 -99.821
   62   2HO*    C   6          2HO*        C   6  37.534  39.962 -98.297
   63    H1*    C   6           H1*        C   6  37.850  42.726-100.160
   64   1H4     C   6          1H4         C   6  40.655  41.371-105.655
   65   2H4     C   6          2H4         C   6  42.135  40.890-104.855
   66    H5     C   6           H5         C   6  42.418  40.951-102.464
   67    H6     C   6           H6         C   6  41.421  41.620-100.339
   68   1H5*    U   7          1H5*        U   7  36.560  37.898 -96.190
   69   2H5*    U   7          2H5*        U   7  36.726  39.640 -96.558
   70    H4*    U   7           H4*        U   7  34.806  38.998 -97.762
   71    H3*    U   7           H3*        U   7  36.293  36.441 -98.188
   72   1H2*    U   7          1H2*        U   7  35.592  36.141-100.345
   73   2HO*    U   7          2HO*        U   7  33.370  36.318 -99.781
   74    H1*    U   7           H1*        U   7  35.163  38.830-101.071
   75    H3     U   7           H3         U   7  38.089  37.890-104.294
   76    H5     U   7           H5         U   7  40.324  37.258-100.785
   77    H6     U   7           H6         U   7  38.307  37.580 -99.501
   78   1H5*    C   8          1H5*        C   8  34.616  32.609 -98.029
   79   2H5*    C   8          2H5*        C   8  32.858  32.331 -97.849
   80    H4*    C   8           H4*        C   8  33.820  31.417 -99.967
   81    H3*    C   8           H3*        C   8  34.952  34.067-100.099
   82   1H2*    C   8          1H2*        C   8  33.511  35.027-101.511
   83   2HO*    C   8          2HO*        C   8  34.248  32.890-103.256
   84    H1*    C   8           H1*        C   8  32.187  32.546-102.452
   85   1H4     C   8          1H4         C   8  27.693  36.914-103.244
   86   2H4     C   8          2H4         C   8  27.855  37.424-101.578
   87    H5     C   8           H5         C   8  29.503  36.489-100.078
   88    H6     C   8           H6         C   8  31.338  34.916 -99.842
   89   1H5*    A   9          1H5*        A   9  37.345  32.477-104.640
   90   2H5*    A   9          2H5*        A   9  35.620  32.047-104.457
   91    H4*    A   9           H4*        A   9  36.269  33.010-106.706
   92    H3*    A   9           H3*        A   9  36.904  35.318-104.909
   93   1H2*    A   9          1H2*        A   9  35.961  36.861-106.302
   94   2HO*    A   9          2HO*        A   9  36.134  34.943-108.404
   95    H1*    A   9           H1*        A   9  33.974  35.251-107.456
   96    H8     A   9           H8         A   9  33.143  34.917-103.990
   97   1H6     A   9          1H6         A   9  31.410  40.818-103.694
   98   2H6     A   9          2H6         A   9  31.354  39.265-102.892
   99    H2     A   9           H2         A   9  33.756  40.249-107.487
  100   1H5*    A  10          1H5*        A  10  39.592  36.492-109.357
  101   2H5*    A  10          2H5*        A  10  38.200  35.534-108.773
  102    H4*    A  10           H4*        A  10  37.177  36.932-110.304
  103    H3*    A  10           H3*        A  10  39.241  38.951-109.470
  104   1H2*    A  10          1H2*        A  10  37.854  40.718-109.894
  105   2HO*    A  10          2HO*        A  10  36.045  40.535-111.284
  106    H1*    A  10           H1*        A  10  35.410  39.470-109.317
  107    H8     A  10           H8         A  10  37.398  39.145-106.242
  108   1H6     A  10          1H6         A  10  36.813  45.210-105.323
  109   2H6     A  10          2H6         A  10  37.281  43.692-104.592
  110    H2     A  10           H2         A  10  35.539  44.278-109.532
  111   1H5*    C  11          1H5*        C  11  38.842  41.303-113.564
  112   2H5*    C  11          2H5*        C  11  37.852  40.453-112.345
  113    H4*    C  11           H4*        C  11  37.211  42.777-112.326
  114    H3*    C  11           H3*        C  11  40.149  43.218-112.429
  115   1H2*    C  11          1H2*        C  11  40.224  44.897-110.927
  116   2HO*    C  11          2HO*        C  11  38.398  46.165-110.416
  117    H1*    C  11           H1*        C  11  38.168  44.232-109.275
  118   1H4     C  11          1H4         C  11  43.508  41.011-107.103
  119   2H4     C  11          2H4         C  11  43.265  42.356-106.012
  120    H5     C  11           H5         C  11  42.163  40.645-109.069
  121    H6     C  11           H6         C  11  40.268  41.485-110.392
  122   1H5*    U  12          1H5*        U  12  42.656  44.765-114.487
  123   2H5*    U  12          2H5*        U  12  41.571  45.932-115.327
  124    H4*    U  12           H4*        U  12  43.160  47.469-114.733
  125    H3*    U  12           H3*        U  12  44.041  45.418-112.703
  126   1H2*    U  12          1H2*        U  12  44.777  46.991-111.193
  127   2HO*    U  12          2HO*        U  12  45.193  49.161-111.821
  128    H1*    U  12           H1*        U  12  42.893  48.961-111.627
  129    H3     U  12           H3         U  12  41.755  48.025-107.466
  130    H5     U  12           H5         U  12  42.267  44.191-109.136
  131    H6     U  12           H6         U  12  42.600  45.243-111.288
  132   1H5*    C  13          1H5*        C  13  48.480  47.926-113.848
  133   2H5*    C  13          2H5*        C  13  46.722  47.957-113.780
  134    H4*    C  13           H4*        C  13  47.649  49.504-112.145
  135    H3*    C  13           H3*        C  13  49.263  47.097-111.391
  136   1H2*    C  13          1H2*        C  13  49.103  47.538-109.112
  137   2HO*    C  13          2HO*        C  13  48.397  50.136-109.969
  138    H1*    C  13           H1*        C  13  46.549  48.311-108.981
  139   1H4     C  13          1H4         C  13  45.850  42.136-107.854
  140   2H4     C  13          2H4         C  13  45.725  41.853-109.575
  141    H5     C  13           H5         C  13  46.269  43.517-111.226
  142    H6     C  13           H6         C  13  46.888  45.858-111.579
  143   1H5*    U  14          1H5*        U  14  52.939  49.700-109.059
  144   2H5*    U  14          2H5*        U  14  51.264  50.144-109.358
  145    H4*    U  14           H4*        U  14  51.330  49.871-107.045
  146    H3*    U  14           H3*        U  14  53.191  47.574-107.622
  147   1H2*    U  14          1H2*        U  14  52.483  46.461-105.710
  148   2HO*    U  14          2HO*        U  14  51.219  47.572-104.098
  149    H1*    U  14           H1*        U  14  49.833  47.223-105.778
  150    H3     U  14           H3         U  14  49.924  42.709-106.029
  151    H5     U  14           H5         U  14  50.550  44.044-109.972
  152    H6     U  14           H6         U  14  50.922  46.264-109.092
  153   1H5*    C  15          1H5*        C  15  55.646  49.395-103.191
  154   2H5*    C  15          2H5*        C  15  54.209  49.602-104.190
  155    H4*    C  15           H4*        C  15  53.626  48.253-102.279
  156    H3*    C  15           H3*        C  15  56.117  46.775-103.056
  157   1H2*    C  15          1H2*        C  15  55.205  44.716-102.554
  158   2HO*    C  15          2HO*        C  15  53.489  46.211-100.870
  159    H1*    C  15           H1*        C  15  52.539  45.291-103.099
  160   1H4     C  15          1H4         C  15  53.916  41.337-107.792
  161   2H4     C  15          2H4         C  15  54.449  42.696-108.759
  162    H5     C  15           H5         C  15  54.817  44.901-107.850
  163    H6     C  15           H6         C  15  54.574  46.319-105.867
  164   1H5*    C  16          1H5*        C  16  56.940  45.216 -98.234
  165   2H5*    C  16          2H5*        C  16  55.615  45.860 -99.203
  166    H4*    C  16           H4*        C  16  55.344  43.464 -99.018
  167    H3*    C  16           H3*        C  16  58.231  43.432 -99.921
  168   1H2*    C  16          1H2*        C  16  57.805  41.493-101.187
  169   2HO*    C  16          2HO*        C  16  55.486  41.116 -99.589
  170    H1*    C  16           H1*        C  16  55.091  41.902-101.552
  171   1H4     C  16          1H4         C  16  58.173  42.804-107.253
  172   2H4     C  16          2H4         C  16  57.714  41.109-107.181
  173    H5     C  16           H5         C  16  57.964  44.315-105.332
  174    H6     C  16           H6         C  16  57.171  44.497-103.000
  175   1H5*    C  17          1H5*        C  17  58.403  40.764 -94.708
  176   2H5*    C  17          2H5*        C  17  56.846  41.452 -95.132
  177    H4*    C  17           H4*        C  17  56.670  39.384 -96.165
  178    H3*    C  17           H3*        C  17  59.637  39.559 -96.663
  179   1H2*    C  17          1H2*        C  17  59.439  37.959 -98.343
  180   2HO*    C  17          2HO*        C  17  57.181  36.967 -98.551
  181    H1*    C  17           H1*        C  17  56.924  38.792 -99.246
  182   1H4     C  17          1H4         C  17  61.328  42.061-102.933
  183   2H4     C  17          2H4         C  17  61.028  40.586-103.825
  184    H5     C  17           H5         C  17  60.539  42.437-100.713
  185    H6     C  17           H6         C  17  59.153  41.565 -98.917
  186   1H5*    C  18          1H5*        C  18  61.789  35.635 -95.978
  187   2H5*    C  18          2H5*        C  18  60.111  36.024 -96.330
  188    H4*    C  18           H4*        C  18  61.063  35.644 -98.438
  189    H3*    C  18           H3*        C  18  63.446  37.113 -97.334
  190   1H2*    C  18          1H2*        C  18  63.982  37.974 -99.409
  191   2HO*    C  18          2HO*        C  18  63.069  37.008-101.344
  192    H1*    C  18           H1*        C  18  61.382  38.066-100.470
  193   1H4     C  18          1H4         C  18  62.920  44.135 -99.997
  194   2H4     C  18          2H4         C  18  62.272  44.158 -98.370
  195    H5     C  18           H5         C  18  61.715  42.156 -97.145
  196    H6     C  18           H6         C  18  61.491  39.715 -97.286
  197   1H5*    C  19          1H5*        C  19  66.448  33.767-100.363
  198   2H5*    C  19          2H5*        C  19  64.737  34.167-100.422
  199    H4*    C  19           H4*        C  19  65.488  34.812-102.531
  200    H3*    C  19           H3*        C  19  67.983  35.656-101.082
  201   1H2*    C  19          1H2*        C  19  68.399  37.343-102.585
  202   2HO*    C  19          2HO*        C  19  67.186  37.341-104.656
  203    H1*    C  19           H1*        C  19  65.774  37.912-103.283
  204   1H4     C  19          1H4         C  19  67.629  43.088-100.228
  205   2H4     C  19          2H4         C  19  67.157  42.357 -98.706
  206    H5     C  19           H5         C  19  66.590  40.012 -98.482
  207    H6     C  19           H6         C  19  66.196  37.916 -99.700
  208   1H5*    C  20          1H5*        C  20  71.417  33.761-104.745
  209   2H5*    C  20          2H5*        C  20  69.739  34.102-105.140
  210    H4*    C  20           H4*        C  20  70.976  35.443-106.629
  211    H3*    C  20           H3*        C  20  72.770  35.823-104.273
  212   1H2*    C  20          1H2*        C  20  73.293  37.975-104.758
  213   2HO*    C  20          2HO*        C  20  72.670  38.821-106.939
  214    H1*    C  20           H1*        C  20  70.935  38.794-105.865
  215   1H4     C  20          1H4         C  20  70.741  41.352-100.128
  216   2H4     C  20          2H4         C  20  70.057  39.867 -99.502
  217    H5     C  20           H5         C  20  70.010  37.809-100.769
  218    H6     C  20           H6         C  20  70.356  36.807-102.984
  219   1H5*    C  21          1H5*        C  21  76.733  36.062-106.781
  220   2H5*    C  21          2H5*        C  21  75.320  37.098-106.432
  221    H4*    C  21           H4*        C  21  77.428  38.297-106.033
  222    H3*    C  21           H3*        C  21  77.985  35.882-104.360
  223   1H2*    C  21          1H2*        C  21  78.881  37.084-102.623
  224   2HO*    C  21          2HO*        C  21  80.363  38.160-104.069
  225    H1*    C  21           H1*        C  21  77.504  39.515-103.033
  226   1H4     C  21          1H4         C  21  75.958  36.830 -97.427
  227   2H4     C  21          2H4         C  21  74.334  36.735 -98.070
  228    H5     C  21           H5         C  21  73.803  37.200-100.360
  229    H6     C  21           H6         C  21  74.678  37.874-102.555
  230   1H5*    U  22          1H5*        U  22  81.881  36.168-106.948
  231   2H5*    U  22          2H5*        U  22  82.425  37.216-108.294
  232    H4*    U  22           H4*        U  22  82.167  39.199-106.835
  233    H3*    U  22           H3*        U  22  84.177  37.232-106.694
  234   1H2*    U  22          1H2*        U  22  83.746  36.347-104.645
  235   2HO*    U  22          2HO*        U  22  84.684  38.917-103.816
  236    H1*    U  22           H1*        U  22  82.491  38.792-103.496
  237    H3     U  22           H3         U  22  81.710  36.038-100.018
  238    H5     U  22           H5         U  22  79.887  34.078-103.275
  239    H6     U  22           H6         U  22  80.824  35.774-104.733
  240   1H5*    U  23          1H5*        U  23  86.302  36.783-106.378
  241   2H5*    U  23          2H5*        U  23  87.241  37.160-107.854
  242    H4*    U  23           H4*        U  23  88.596  35.868-106.328
  243    H3*    U  23           H3*        U  23  87.639  37.976-104.400
  244   1H2*    U  23          1H2*        U  23  89.634  38.439-103.462
  245   2HO*    U  23          2HO*        U  23  90.497  35.844-104.231
  246    H1*    U  23           H1*        U  23  91.346  37.550-105.481
  247    H3     U  23           H3         U  23  92.933  41.740-105.339
  248    H5     U  23           H5         U  23  88.759  42.318-105.548
  249    H6     U  23           H6         U  23  88.497  39.897-105.539
  250   1H5*    U  24          1H5*        U  24  87.699  32.434-104.529
  251   2H5*    U  24          2H5*        U  24  88.591  33.941-104.288
  252    H4*    U  24           H4*        U  24  89.148  31.675-102.972
  253    H3*    U  24           H3*        U  24  87.127  33.238-101.412
  254   1H2*    U  24          1H2*        U  24  88.310  33.047 -99.455
  255   2HO*    U  24          2HO*        U  24  89.940  31.468 -99.167
  256    H1*    U  24           H1*        U  24  90.866  33.117-100.545
  257    H3     U  24           H3         U  24  90.195  36.484 -97.491
  258    H5     U  24           H5         U  24  88.760  37.937-101.178
  259    H6     U  24           H6         U  24  89.016  35.699-102.080
  260   1H5*    U  25          1H5*        U  25  84.285  29.870 -99.086
  261   2H5*    U  25          2H5*        U  25  86.010  29.736 -99.398
  262    H4*    U  25           H4*        U  25  85.709  30.088 -97.049
  263    H3*    U  25           H3*        U  25  83.938  32.366 -97.925
  264   1H2*    U  25          1H2*        U  25  84.535  33.564 -96.005
  265   2HO*    U  25          2HO*        U  25  85.745  32.531 -94.315
  266    H1*    U  25           H1*        U  25  87.147  32.872 -95.964
  267    H3     U  25           H3         U  25  86.912  37.338 -96.676
  268    H5     U  25           H5         U  25  86.578  35.571-100.487
  269    H6     U  25           H6         U  25  86.310  33.423 -99.396
  270   1H5*    C  26          1H5*        C  26  80.168  31.639 -94.425
  271   2H5*    C  26          2H5*        C  26  81.859  31.161 -94.435
  272    H4*    C  26           H4*        C  26  81.696  32.858 -92.800
  273    H3*    C  26           H3*        C  26  79.940  34.202 -94.830
  274   1H2*    C  26          1H2*        C  26  80.627  36.301 -94.171
  275   2HO*    C  26          2HO*        C  26  81.729  36.573 -92.106
  276    H1*    C  26           H1*        C  26  83.202  35.635 -93.343
  277   1H4     C  26          1H4         C  26  84.366  39.148 -98.418
  278   2H4     C  26          2H4         C  26  84.276  37.712 -99.416
  279    H5     C  26           H5         C  26  83.411  35.604 -98.621
  280    H6     C  26           H6         C  26  82.618  34.374 -96.659
  281   1H5*    C  27          1H5*        C  27  76.475  36.612 -92.886
  282   2H5*    C  27          2H5*        C  27  76.259  36.621 -91.121
  283    H4*    C  27           H4*        C  27  77.707  38.424 -90.843
  284    H3*    C  27           H3*        C  27  76.219  38.652 -93.449
  285   1H2*    C  27          1H2*        C  27  77.336  40.558 -94.056
  286   2HO*    C  27          2HO*        C  27  78.342  41.914 -92.545
  287    H1*    C  27           H1*        C  27  79.758  40.032 -92.737
  288   1H4     C  27          1H4         C  27  81.312  39.708 -98.816
  289   2H4     C  27          2H4         C  27  81.030  37.981 -98.765
  290    H5     C  27           H5         C  27  79.845  36.894 -96.966
  291    H6     C  27           H6         C  27  78.955  37.178 -94.697
  292   1H5*    G  28          1H5*        G  28  73.278  42.895 -91.931
  293   2H5*    G  28          2H5*        G  28  74.744  42.324 -91.146
  294    H4*    G  28           H4*        G  28  75.305  44.477 -91.885
  295    H3*    G  28           H3*        G  28  73.627  43.764 -94.264
  296   1H2*    G  28          1H2*        G  28  74.935  44.949 -95.741
  297   2HO*    G  28          2HO*        G  28  75.898  46.314 -93.433
  298    H1*    G  28           H1*        G  28  77.401  44.571 -94.568
  299    H8     G  28           H8         G  28  75.526  41.314 -94.865
  300    H1     G  28           H1         G  28  78.599  42.969-100.192
  301   1H2     G  28          1H2         G  28  78.792  46.129 -98.750
  302   2H2     G  28          2H2         G  28  79.160  45.108-100.123
  303   1H5*    A  29          1H5*        A  29  72.811  48.906 -94.882
  304   2H5*    A  29          2H5*        A  29  73.998  47.910 -94.052
  305    H4*    A  29           H4*        A  29  75.192  49.034 -95.757
  306    H3*    A  29           H3*        A  29  72.831  48.312 -97.484
  307   1H2*    A  29          1H2*        A  29  74.193  48.237 -99.366
  308   2HO*    A  29          2HO*        A  29  76.014  49.745 -97.781
  309    H1*    A  29           H1*        A  29  76.458  47.223 -98.114
  310    H8     A  29           H8         A  29  73.462  45.131 -97.231
  311   1H6     A  29          1H6         A  29  74.670  41.920-102.357
  312   2H6     A  29          2H6         A  29  73.832  41.905-100.820
  313    H2     A  29           H2         A  29  76.959  45.783-102.549
  314   1H5*    G  30          1H5*        G  30  72.309  51.839-100.720
  315   2H5*    G  30          2H5*        G  30  73.773  51.358 -99.873
  316    H4*    G  30           H4*        G  30  73.983  50.557-102.103
  317    H3*    G  30           H3*        G  30  71.146  49.627-101.706
  318   1H2*    G  30          1H2*        G  30  71.491  47.814-103.122
  319   2HO*    G  30          2HO*        G  30  73.856  49.187-103.932
  320    H1*    G  30           H1*        G  30  74.025  47.183-102.321
  321    H8     G  30           H8         G  30  71.817  47.892 -99.312
  322    H1     G  30           H1         G  30  71.231  42.021-101.695
  323   1H2     G  30          1H2         G  30  72.810  43.351-104.494
  324   2H2     G  30          2H2         G  30  72.081  41.953-103.738
  325   1H5*    G  31          1H5*        G  31  69.526  51.090-106.609
  326   2H5*    G  31          2H5*        G  31  71.173  50.787-106.071
  327    H4*    G  31           H4*        G  31  70.735  49.167-107.747
  328    H3*    G  31           H3*        G  31  68.073  48.991-106.386
  329   1H2*    G  31          1H2*        G  31  67.862  46.705-106.802
  330   2HO*    G  31          2HO*        G  31  69.494  45.666-108.211
  331    H1*    G  31           H1*        G  31  70.443  45.973-106.319
  332    H8     G  31           H8         G  31  69.334  48.572-103.802
  333    H1     G  31           H1         G  31  67.708  42.623-102.187
  334   1H2     G  31          1H2         G  31  68.325  41.854-105.512
  335   2H2     G  31          2H2         G  31  67.823  41.297-103.936
  336   1H5*    G  32          1H5*        G  32  66.215  46.809-110.446
  337   2H5*    G  32          2H5*        G  32  67.733  47.073-109.604
  338    H4*    G  32           H4*        G  32  67.364  44.817-109.238
  339    H3*    G  32           H3*        G  32  64.449  45.538-109.032
  340   1H2*    G  32          1H2*        G  32  64.086  43.722-107.619
  341   2HO*    G  32          2HO*        G  32  66.306  42.676-109.001
  342    H1*    G  32           H1*        G  32  66.703  43.592-106.550
  343    H8     G  32           H8         G  32  65.164  46.878-105.696
  344    H1     G  32           H1         G  32  63.332  42.133-101.866
  345   1H2     G  32          1H2         G  32  64.464  40.050-104.411
  346   2H2     G  32          2H2         G  32  63.732  40.182-102.827
  347   1H5*    U  33          1H5*        U  33  64.843  43.074-113.744
  348   2H5*    U  33          2H5*        U  33  63.443  44.079-114.213
  349    H4*    U  33           H4*        U  33  65.144  44.096-115.964
  350    H3*    U  33           H3*        U  33  66.979  44.130-113.822
  351   1H2*    U  33          1H2*        U  33  67.132  46.370-113.470
  352   2HO*    U  33          2HO*        U  33  69.085  45.893-114.628
  353    H1*    U  33           H1*        U  33  66.388  47.201-116.228
  354    H3     U  33           H3         U  33  67.180  50.765-113.197
  355    H5     U  33           H5         U  33  63.095  49.732-113.121
  356    H6     U  33           H6         U  33  63.646  47.727-114.370
  357   1H5*    C  34          1H5*        C  34  69.894  40.924-116.965
  358   2H5*    C  34          2H5*        C  34  70.186  42.514-117.735
  359    H4*    C  34           H4*        C  34  72.282  41.199-117.194
  360    H3*    C  34           H3*        C  34  71.074  41.488-114.483
  361   1H2*    C  34          1H2*        C  34  73.000  42.115-113.443
  362   2HO*    C  34          2HO*        C  34  75.073  41.724-114.384
  363    H1*    C  34           H1*        C  34  74.203  43.560-115.466
  364   1H4     C  34          1H4         C  34  70.043  46.679-111.319
  365   2H4     C  34          2H4         C  34  71.607  47.428-111.091
  366    H5     C  34           H5         C  34  69.657  44.919-112.938
  367    H6     C  34           H6         C  34  70.644  43.469-114.585
  368   1H5*    A  35          1H5*        A  35  74.679  38.398-113.244
  369   2H5*    A  35          2H5*        A  35  74.080  39.746-114.245
  370    H4*    A  35           H4*        A  35  75.647  40.814-112.974
  371    H3*    A  35           H3*        A  35  75.480  38.588-111.258
  372   1H2*    A  35          1H2*        A  35  74.153  39.426-109.628
  373   2HO*    A  35          2HO*        A  35  75.331  40.732-108.131
  374    H1*    A  35           H1*        A  35  74.779  42.290-110.119
  375    H8     A  35           H8         A  35  71.643  41.423-111.456
  376   1H6     A  35          1H6         A  35  68.670  42.184-107.750
  377   2H6     A  35          2H6         A  35  68.923  42.291-106.026
  378    H2     A  35           H2         A  35  73.322  41.763-105.301
  379   1H5*    U  36          1H5*        U  36  80.446  41.156-110.312
  380   2H5*    U  36          2H5*        U  36  78.924  41.429-111.140
  381    H4*    U  36           H4*        U  36  79.289  43.414-109.982
  382    H3*    U  36           H3*        U  36  80.263  41.652-107.745
  383   1H2*    U  36          1H2*        U  36  79.634  43.231-106.188
  384   2HO*    U  36          2HO*        U  36  79.269  45.418-106.759
  385    H1*    U  36           H1*        U  36  77.440  44.264-107.572
  386    H3     U  36           H3         U  36  76.116  43.019-103.418
  387    H5     U  36           H5         U  36  75.848  39.591-105.844
  388    H6     U  36           H6         U  36  77.132  40.746-107.535
  389   1H5*    C  37          1H5*        C  37  83.935  45.329-107.017
  390   2H5*    C  37          2H5*        C  37  82.438  45.019-107.889
  391    H4*    C  37           H4*        C  37  81.910  46.408-106.024
  392    H3*    C  37           H3*        C  37  83.484  44.389-104.421
  393   1H2*    C  37          1H2*        C  37  82.121  44.798-102.590
  394   2HO*    C  37          2HO*        C  37  80.833  46.706-102.469
  395    H1*    C  37           H1*        C  37  79.802  45.440-104.035
  396   1H4     C  37          1H4         C  37  78.561  40.228-100.721
  397   2H4     C  37          2H4         C  37  78.969  39.267-102.127
  398    H5     C  37           H5         C  37  80.080  40.176-104.066
  399    H6     C  37           H6         C  37  80.826  42.233-105.160
  400   1H5*    G  38          1H5*        G  38  86.108  48.483-101.796
  401   2H5*    G  38          2H5*        G  38  84.666  48.589-102.798
  402    H4*    G  38           H4*        G  38  84.038  49.445-100.675
  403    H3*    G  38           H3*        G  38  85.664  47.144 -99.646
  404   1H2*    G  38          1H2*        G  38  84.271  46.740 -97.858
  405   2HO*    G  38          2HO*        G  38  83.264  49.358 -98.364
  406    H1*    G  38           H1*        G  38  81.867  47.224 -99.059
  407    H8     G  38           H8         G  38  84.132  45.260-101.364
  408    H1     G  38           H1         G  38  81.049  41.656 -97.109
  409   1H2     G  38          1H2         G  38  80.477  44.657 -95.441
  410   2H2     G  38          2H2         G  38  80.264  42.922 -95.470
  411   1H5*    G  39          1H5*        G  39  87.579  49.081 -95.401
  412   2H5*    G  39          2H5*        G  39  86.084  49.469 -96.237
  413    H4*    G  39           H4*        G  39  85.471  48.318 -94.251
  414    H3*    G  39           H3*        G  39  87.627  46.364 -95.044
  415   1H2*    G  39          1H2*        G  39  86.466  44.643 -93.994
  416   2HO*    G  39          2HO*        G  39  85.056  46.745 -92.702
  417    H1*    G  39           H1*        G  39  83.934  45.459 -94.706
  418    H8     G  39           H8         G  39  86.131  45.606 -97.735
  419    H1     G  39           H1         G  39  84.147  39.696 -96.391
  420   1H2     G  39          1H2         G  39  83.400  39.595 -94.308
  421   2H2     G  39          2H2         G  39  83.379  40.990 -93.251
  422   1H5*    A  40          1H5*        A  40  89.919  45.524 -90.395
  423   2H5*    A  40          2H5*        A  40  88.297  46.171 -90.605
  424    H4*    A  40           H4*        A  40  87.849  44.101 -89.666
  425    H3*    A  40           H3*        A  40  90.300  43.222 -91.150
  426   1H2*    A  40          1H2*        A  40  89.505  41.102 -91.494
  427   2HO*    A  40          2HO*        A  40  87.746  40.274 -90.176
  428    H1*    A  40           H1*        A  40  86.774  41.647 -91.504
  429    H8     A  40           H8         A  40  88.574  43.625 -94.153
  430   1H6     A  40          1H6         A  40  87.550  38.780 -97.817
  431   2H6     A  40          2H6         A  40  87.909  40.492 -97.772
  432    H2     A  40           H2         A  40  86.943  37.463 -93.559
  433   1H5*    A  41          1H5*        A  41  90.360  39.728 -86.964
  434   2H5*    A  41          2H5*        A  41  89.026  40.705 -87.643
  435    H4*    A  41           H4*        A  41  88.278  38.421 -87.546
  436    H3*    A  41           H3*        A  41  90.988  37.848 -88.679
  437   1H2*    A  41          1H2*        A  41  90.256  36.212 -90.109
  438   2HO*    A  41          2HO*        A  41  87.844  36.102 -88.587
  439    H1*    A  41           H1*        A  41  87.794  37.227 -90.767
  440    H8     A  41           H8         A  41  90.812  39.579 -90.729
  441   1H6     A  41          1H6         A  41  92.187  39.078 -95.334
  442   2H6     A  41          2H6         A  41  91.682  38.005 -96.619
  443    H2     A  41           H2         A  41  88.426  35.406 -94.941
  444   1H5*    C  42          1H5*        C  42  91.249  33.275 -86.675
  445   2H5*    C  42          2H5*        C  42  89.977  33.874 -87.780
  446    H4*    C  42           H4*        C  42  91.032  31.721 -88.510
  447    H3*    C  42           H3*        C  42  93.451  33.469 -88.421
  448   1H2*    C  42          1H2*        C  42  94.251  32.767 -90.425
  449   2HO*    C  42          2HO*        C  42  93.700  30.738 -91.320
  450    H1*    C  42           H1*        C  42  91.907  32.049 -91.673
  451   1H4     C  42          1H4         C  42  94.121  37.072 -94.842
  452   2H4     C  42          2H4         C  42  94.080  38.064 -93.402
  453    H5     C  42           H5         C  42  93.386  37.240 -91.251
  454    H6     C  42           H6         C  42  92.590  35.281 -90.009
  455   1H5*    C  43          1H5*        C  43  95.805  28.904 -88.643
  456   2H5*    C  43          2H5*        C  43  94.359  29.673 -89.361
  457    H4*    C  43           H4*        C  43  95.861  28.669 -91.070
  458    H3*    C  43           H3*        C  43  97.818  30.470 -89.706
  459   1H2*    C  43          1H2*        C  43  98.772  31.227 -91.636
  460   2HO*    C  43          2HO*        C  43  97.559  29.031 -93.000
  461    H1*    C  43           H1*        C  43  96.549  31.231 -93.286
  462   1H4     C  43          1H4         C  43  97.702  37.234 -91.485
  463   2H4     C  43          2H4         C  43  97.072  36.904 -89.887
  464    H5     C  43           H5         C  43  96.358  34.718 -89.174
  465    H6     C  43           H6         C  43  96.039  32.371 -89.867
  466   1H5*    A  44          1H5*        A  44 101.277  30.333 -88.459
  467   2H5*    A  44          2H5*        A  44 102.340  28.966 -88.914
  468    H4*    A  44           H4*        A  44 103.023  30.180 -90.943
  469    H3*    A  44           H3*        A  44 103.512  31.084 -88.209
  470   1H2*    A  44          1H2*        A  44 103.320  33.276 -88.510
  471   2HO*    A  44          2HO*        A  44 105.521  33.141 -89.210
  472    H1*    A  44           H1*        A  44 102.995  33.294 -91.446
  473    H8     A  44           H8         A  44  99.792  33.135 -89.691
  474   1H6     A  44          1H6         A  44  98.952  37.812 -88.819
  475   2H6     A  44          2H6         A  44  99.954  39.244 -88.914
  476    H2     A  44           H2         A  44 104.024  37.900 -90.266
  477    H3T    A  44           H3T        A  44 105.101  31.059 -90.580
   
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  63.499  40.152-113.670
    2   2H5*    G   1          2H5*        G   1  64.107  41.568-112.768
    3    H4*    G   1           H4*        G   1  63.938  39.229-111.578
    4    H3*    G   1           H3*        G   1  61.207  39.757-112.248
    5   1H2*    G   1          1H2*        G   1  60.588  40.932-110.450
    6   2HO*    G   1          2HO*        G   1  61.226  38.482-109.102
    7    H1*    G   1           H1*        G   1  62.771  39.979-108.672
    8    H8     G   1           H8         G   1  62.827  43.386-110.106
    9    H1     G   1           H1         G   1  60.034  43.190-104.395
   10   1H2     G   1          1H2         G   1  59.766  39.771-105.001
   11   2H2     G   1          2H2         G   1  59.439  41.109-103.922
   12    H5T    G   1           H5T        G   1  62.212  42.023-113.938
   13   1H5*    G   2          1H5*        G   2  59.075  35.109-110.030
   14   2H5*    G   2          2H5*        G   2  60.769  35.286-109.597
   15    H4*    G   2           H4*        G   2  59.837  34.854-107.528
   16    H3*    G   2           H3*        G   2  57.413  36.227-108.646
   17   1H2*    G   2          1H2*        G   2  56.751  37.038-106.602
   18   2HO*    G   2          2HO*        G   2  57.767  36.160-104.626
   19    H1*    G   2           H1*        G   2  59.222  37.440-105.440
   20    H8     G   2           H8         G   2  59.066  38.933-108.852
   21    H1     G   2           H1         G   2  56.414  42.636-104.413
   22   1H2     G   2          1H2         G   2  56.451  39.770-102.438
   23   2H2     G   2          2H2         G   2  56.038  41.466-102.573
   24   1H5*    G   3          1H5*        G   3  54.190  32.926-105.972
   25   2H5*    G   3          2H5*        G   3  55.899  33.322-105.823
   26    H4*    G   3           H4*        G   3  54.918  34.264-103.896
   27    H3*    G   3           H3*        G   3  52.681  34.911-105.773
   28   1H2*    G   3          1H2*        G   3  52.212  36.934-104.810
   29   2HO*    G   3          2HO*        G   3  53.048  37.381-102.615
   30    H1*    G   3           H1*        G   3  54.724  37.554-103.803
   31    H8     G   3           H8         G   3  54.784  36.937-107.514
   32    H1     G   3           H1         G   3  53.035  42.843-105.887
   33   1H2     G   3          1H2         G   3  52.471  41.470-102.739
   34   2H2     G   3          2H2         G   3  52.420  42.891-103.759
   35   1H5*    A   4          1H5*        A   4  49.379  34.078-101.312
   36   2H5*    A   4          2H5*        A   4  51.132  34.208-101.330
   37    H4*    A   4           H4*        A   4  50.488  35.815 -99.754
   38    H3*    A   4           H3*        A   4  48.149  36.242-101.580
   39   1H2*    A   4          1H2*        A   4  48.015  38.504-101.149
   40   2HO*    A   4          2HO*        A   4  49.223  39.431 -99.362
   41    H1*    A   4           H1*        A   4  50.672  39.087-100.948
   42    H8     A   4           H8         A   4  50.104  36.779-103.840
   43   1H6     A   4          1H6         A   4  49.257  41.840-107.239
   44   2H6     A   4          2H6         A   4  49.624  40.130-107.283
   45    H2     A   4           H2         A   4  49.009  43.005-102.906
   46   1H5*    G   5          1H5*        G   5  44.976  37.774 -97.842
   47   2H5*    G   5          2H5*        G   5  46.726  37.705 -97.996
   48    H4*    G   5           H4*        G   5  46.227  39.997 -98.111
   49    H3*    G   5           H3*        G   5  43.864  39.082 -99.711
   50   1H2*    G   5          1H2*        G   5  43.877  40.943-101.066
   51   2HO*    G   5          2HO*        G   5  45.031  42.872-100.402
   52    H1*    G   5           H1*        G   5  46.630  41.496-100.985
   53    H8     G   5           H8         G   5  46.085  37.981-102.126
   54    H1     G   5           H1         G   5  45.443  42.254-106.809
   55   1H2     G   5          1H2         G   5  45.133  44.287-105.977
   56   2H2     G   5          2H2         G   5  45.096  44.589-104.251
   57   1H5*    C   6          1H5*        C   6  40.558  42.045 -97.574
   58   2H5*    C   6          2H5*        C   6  41.642  42.699 -98.839
   59    H4*    C   6           H4*        C   6  39.236  43.236 -99.233
   60    H3*    C   6           H3*        C   6  39.061  40.257 -99.070
   61   1H2*    C   6          1H2*        C   6  37.699  40.035-100.890
   62   2HO*    C   6          2HO*        C   6  37.073  42.805-100.653
   63    H1*    C   6           H1*        C   6  38.579  42.181-102.412
   64   1H4     C   6          1H4         C   6  41.135  37.141-105.286
   65   2H4     C   6          2H4         C   6  41.963  36.653-103.824
   66    H5     C   6           H5         C   6  41.747  37.826-101.732
   67    H6     C   6           H6         C   6  40.712  39.734-100.593
   68   1H5*    U   7          1H5*        U   7  34.147  40.443 -97.613
   69   2H5*    U   7          2H5*        U   7  35.211  41.319 -98.756
   70    H4*    U   7           H4*        U   7  33.537  40.139-100.031
   71    H3*    U   7           H3*        U   7  34.275  37.885 -98.208
   72   1H2*    U   7          1H2*        U   7  34.207  36.290 -99.853
   73   2HO*    U   7          2HO*        U   7  32.986  36.594-101.768
   74    H1*    U   7           H1*        U   7  34.843  37.912-102.067
   75    H3     U   7           H3         U   7  37.999  34.770-102.479
   76    H5     U   7           H5         U   7  38.893  36.511 -98.748
   77    H6     U   7           H6         U   7  36.896  37.861 -98.964
   78   1H5*    C   8          1H5*        C   8  32.283  34.968 -97.702
   79   2H5*    C   8          2H5*        C   8  30.641  34.720 -97.033
   80    H4*    C   8           H4*        C   8  31.019  33.081 -98.767
   81    H3*    C   8           H3*        C   8  32.491  35.176-100.000
   82   1H2*    C   8          1H2*        C   8  31.020  36.021-101.444
   83   2HO*    C   8          2HO*        C   8  32.026  34.429-102.813
   84    H1*    C   8           H1*        C   8  29.000  33.898-101.446
   85   1H4     C   8          1H4         C   8  25.594  39.140-102.281
   86   2H4     C   8          2H4         C   8  26.566  40.016-101.120
   87    H5     C   8           H5         C   8  28.432  39.012 -99.957
   88    H6     C   8           H6         C   8  29.781  37.018 -99.668
   89   1H5*    A   9          1H5*        A   9  33.285  31.497-103.799
   90   2H5*    A   9          2H5*        A   9  31.626  31.854-103.235
   91    H4*    A   9           H4*        A   9  31.863  31.518-105.726
   92    H3*    A   9           H3*        A   9  33.643  33.888-105.326
   93   1H2*    A   9          1H2*        A   9  32.831  35.016-107.155
   94   2HO*    A   9          2HO*        A   9  33.084  33.202-108.583
   95    H1*    A   9           H1*        A   9  30.203  34.158-107.095
   96    H8     A   9           H8         A   9  30.381  35.290-103.748
   97   1H6     A   9          1H6         A   9  31.210  41.122-105.538
   98   2H6     A   9          2H6         A   9  30.786  40.081-104.198
   99    H2     A   9           H2         A   9  31.983  38.450-109.069
  100   1H5*    A  10          1H5*        A  10  36.690  32.374-109.440
  101   2H5*    A  10          2H5*        A  10  34.949  32.174-109.074
  102    H4*    A  10           H4*        A  10  34.983  33.533-110.997
  103    H3*    A  10           H3*        A  10  37.395  34.774-109.729
  104   1H2*    A  10          1H2*        A  10  36.894  36.891-110.462
  105   2HO*    A  10          2HO*        A  10  36.528  36.192-112.659
  106    H1*    A  10           H1*        A  10  34.151  36.808-110.333
  107    H8     A  10           H8         A  10  35.440  35.484-107.089
  108   1H6     A  10          1H6         A  10  36.833  41.256-105.473
  109   2H6     A  10          2H6         A  10  36.637  39.615-104.900
  110    H2     A  10           H2         A  10  35.906  41.208-109.873
  111   1H5*    C  11          1H5*        C  11  39.572  36.179-114.196
  112   2H5*    C  11          2H5*        C  11  37.838  36.027-113.783
  113    H4*    C  11           H4*        C  11  38.283  38.340-114.289
  114    H3*    C  11           H3*        C  11  40.665  37.895-112.529
  115   1H2*    C  11          1H2*        C  11  40.510  39.940-111.505
  116   2HO*    C  11          2HO*        C  11  39.312  41.669-112.434
  117    H1*    C  11           H1*        C  11  37.776  40.267-111.502
  118   1H4     C  11          1H4         C  11  39.831  37.057-106.078
  119   2H4     C  11          2H4         C  11  39.394  38.673-105.570
  120    H5     C  11           H5         C  11  39.780  36.338-108.372
  121    H6     C  11           H6         C  11  39.311  37.011-110.678
  122   1H5*    U  12          1H5*        U  12  42.789  42.071-115.343
  123   2H5*    U  12          2H5*        U  12  41.059  41.642-115.202
  124    H4*    U  12           H4*        U  12  41.374  43.976-114.613
  125    H3*    U  12           H3*        U  12  43.533  42.850-112.869
  126   1H2*    U  12          1H2*        U  12  43.065  44.260-111.120
  127   2HO*    U  12          2HO*        U  12  41.654  45.918-112.958
  128    H1*    U  12           H1*        U  12  40.310  44.575-111.529
  129    H3     U  12           H3         U  12  39.943  42.706-107.496
  130    H5     U  12           H5         U  12  42.561  40.066-109.483
  131    H6     U  12           H6         U  12  42.423  41.504-111.435
  132   1H5*    C  13          1H5*        C  13  45.857  47.633-113.719
  133   2H5*    C  13          2H5*        C  13  44.272  46.872-113.800
  134    H4*    C  13           H4*        C  13  44.272  48.550-112.050
  135    H3*    C  13           H3*        C  13  46.794  47.140-111.258
  136   1H2*    C  13          1H2*        C  13  46.345  47.335-108.983
  137   2HO*    C  13          2HO*        C  13  44.520  49.328-109.814
  138    H1*    C  13           H1*        C  13  43.727  46.813-109.004
  139   1H4     C  13          1H4         C  13  45.938  40.988-108.017
  140   2H4     C  13          2H4         C  13  46.083  40.761-109.746
  141    H5     C  13           H5         C  13  45.891  42.562-111.331
  142    H6     C  13           H6         C  13  45.363  44.935-111.613
  143   1H5*    U  14          1H5*        U  14  48.876  51.031-108.730
  144   2H5*    U  14          2H5*        U  14  47.176  50.713-109.048
  145    H4*    U  14           H4*        U  14  47.343  50.421-106.745
  146    H3*    U  14           H3*        U  14  50.026  49.198-107.350
  147   1H2*    U  14          1H2*        U  14  49.872  47.793-105.516
  148   2HO*    U  14          2HO*        U  14  47.944  49.665-104.605
  149    H1*    U  14           H1*        U  14  47.147  47.337-105.582
  150    H3     U  14           H3         U  14  49.131  43.298-106.022
  151    H5     U  14           H5         U  14  49.180  44.973-109.884
  152    H6     U  14           H6         U  14  48.568  47.096-108.899
  153   1H5*    C  15          1H5*        C  15  51.320  51.254-102.646
  154   2H5*    C  15          2H5*        C  15  49.938  50.935-103.690
  155    H4*    C  15           H4*        C  15  49.897  49.319-101.926
  156    H3*    C  15           H3*        C  15  52.814  49.020-102.591
  157   1H2*    C  15          1H2*        C  15  52.766  46.761-102.127
  158   2HO*    C  15          2HO*        C  15  50.970  45.832-100.950
  159    H1*    C  15           H1*        C  15  50.192  46.228-102.927
  160   1H4     C  15          1H4         C  15  53.632  43.522-107.450
  161   2H4     C  15          2H4         C  15  53.621  45.030-108.340
  162    H5     C  15           H5         C  15  52.935  47.132-107.364
  163    H6     C  15           H6         C  15  51.859  48.186-105.439
  164   1H5*    C  16          1H5*        C  16  53.924  48.033 -97.538
  165   2H5*    C  16          2H5*        C  16  52.466  48.116 -98.520
  166    H4*    C  16           H4*        C  16  52.835  45.816 -98.097
  167    H3*    C  16           H3*        C  16  55.706  46.462 -98.735
  168   1H2*    C  16          1H2*        C  16  56.020  44.368 -99.636
  169   2HO*    C  16          2HO*        C  16  54.643  42.613 -99.162
  170    H1*    C  16           H1*        C  16  53.485  43.933-100.595
  171   1H4     C  16          1H4         C  16  56.514  46.235-105.863
  172   2H4     C  16          2H4         C  16  56.833  44.514-105.871
  173    H5     C  16           H5         C  16  55.560  47.388-103.980
  174    H6     C  16           H6         C  16  54.660  47.132-101.712
  175   1H5*    C  17          1H5*        C  17  56.840  42.302 -95.836
  176   2H5*    C  17          2H5*        C  17  55.427  43.015 -96.602
  177    H4*    C  17           H4*        C  17  55.856  41.055 -97.833
  178    H3*    C  17           H3*        C  17  58.736  41.883 -97.605
  179   1H2*    C  17          1H2*        C  17  59.252  40.922 -99.640
  180   2HO*    C  17          2HO*        C  17  56.858  39.417 -99.264
  181    H1*    C  17           H1*        C  17  56.764  41.323-100.871
  182   1H4     C  17          1H4         C  17  60.215  46.495-102.856
  183   2H4     C  17          2H4         C  17  60.483  45.261-104.069
  184    H5     C  17           H5         C  17  59.083  46.069-100.765
  185    H6     C  17           H6         C  17  58.059  44.349 -99.360
  186   1H5*    C  18          1H5*        C  18  60.867  37.435 -96.616
  187   2H5*    C  18          2H5*        C  18  59.337  37.926 -97.333
  188    H4*    C  18           H4*        C  18  60.755  37.478 -99.159
  189    H3*    C  18           H3*        C  18  62.844  38.913 -97.536
  190   1H2*    C  18          1H2*        C  18  63.850  39.757 -99.447
  191   2HO*    C  18          2HO*        C  18  62.764  37.433-100.591
  192    H1*    C  18           H1*        C  18  61.555  39.788-101.091
  193   1H4     C  18          1H4         C  18  63.141  45.837-100.731
  194   2H4     C  18          2H4         C  18  62.062  46.018 -99.363
  195    H5     C  18           H5         C  18  61.125  44.141 -98.165
  196    H6     C  18           H6         C  18  60.848  41.696 -98.156
  197   1H5*    C  19          1H5*        C  19  65.926  35.324-100.266
  198   2H5*    C  19          2H5*        C  19  64.296  35.962-100.422
  199    H4*    C  19           H4*        C  19  65.262  36.486-102.482
  200    H3*    C  19           H3*        C  19  67.744  36.947-100.859
  201   1H2*    C  19          1H2*        C  19  68.502  38.607-102.251
  202   2HO*    C  19          2HO*        C  19  66.820  37.394-104.191
  203    H1*    C  19           H1*        C  19  66.043  39.558-103.146
  204   1H4     C  19          1H4         C  19  68.270  44.350 -99.732
  205   2H4     C  19          2H4         C  19  67.585  43.635 -98.286
  206    H5     C  19           H5         C  19  66.718  41.375 -98.209
  207    H6     C  19           H6         C  19  66.163  39.391 -99.542
  208   1H5*    C  20          1H5*        C  20  70.804  34.880-104.837
  209   2H5*    C  20          2H5*        C  20  69.154  35.458-105.029
  210    H4*    C  20           H4*        C  20  70.391  36.729-106.576
  211    H3*    C  20           H3*        C  20  72.469  36.681-104.437
  212   1H2*    C  20          1H2*        C  20  73.249  38.769-104.851
  213   2HO*    C  20          2HO*        C  20  72.572  39.855-106.891
  214    H1*    C  20           H1*        C  20  70.935  39.984-105.648
  215   1H4     C  20          1H4         C  20  71.598  42.225 -99.825
  216   2H4     C  20          2H4         C  20  70.789  40.804 -99.198
  217    H5     C  20           H5         C  20  70.363  38.840-100.536
  218    H6     C  20           H6         C  20  70.402  37.909-102.809
  219   1H5*    C  21          1H5*        C  21  75.990  36.582-107.499
  220   2H5*    C  21          2H5*        C  21  74.823  37.740-106.797
  221    H4*    C  21           H4*        C  21  77.159  38.570-106.735
  222    H3*    C  21           H3*        C  21  77.530  35.988-105.272
  223   1H2*    C  21          1H2*        C  21  78.880  36.902-103.661
  224   2HO*    C  21          2HO*        C  21  80.320  37.824-105.206
  225    H1*    C  21           H1*        C  21  77.871  39.538-103.709
  226   1H4     C  21          1H4         C  21  76.679  36.588 -98.132
  227   2H4     C  21          2H4         C  21  74.988  36.766 -98.543
  228    H5     C  21           H5         C  21  74.231  37.504-100.696
  229    H6     C  21           H6         C  21  74.901  38.265-102.930
  230   1H5*    U  22          1H5*        U  22  82.450  36.484-107.574
  231   2H5*    U  22          2H5*        U  22  82.568  38.130-106.880
  232    H4*    U  22           H4*        U  22  83.772  37.219-104.935
  233    H3*    U  22           H3*        U  22  84.765  37.465-107.564
  234   1H2*    U  22          1H2*        U  22  85.149  35.283-108.057
  235   2HO*    U  22          2HO*        U  22  87.171  34.552-107.231
  236    H1*    U  22           H1*        U  22  85.529  34.370-105.251
  237    H3     U  22           H3         U  22  85.839  30.961-108.535
  238    H5     U  22           H5         U  22  81.871  31.227-107.140
  239    H6     U  22           H6         U  22  82.454  33.324-106.072
  240   1H5*    U  23          1H5*        U  23  88.239  35.831-106.785
  241   2H5*    U  23          2H5*        U  23  89.550  36.826-107.488
  242    H4*    U  23           H4*        U  23  90.379  34.908-106.107
  243    H3*    U  23           H3*        U  23  88.687  36.293-104.084
  244   1H2*    U  23          1H2*        U  23  90.230  36.199-102.413
  245   2HO*    U  23          2HO*        U  23  91.513  34.089-103.826
  246    H1*    U  23           H1*        U  23  92.561  36.179-103.899
  247    H3     U  23           H3         U  23  93.265  39.818-101.370
  248    H5     U  23           H5         U  23  89.764  40.793-103.505
  249    H6     U  23           H6         U  23  89.806  38.561-104.462
  250   1H5*    U  24          1H5*        U  24  87.733  31.018-102.969
  251   2H5*    U  24          2H5*        U  24  89.188  31.986-103.353
  252    H4*    U  24           H4*        U  24  89.442  30.400-101.403
  253    H3*    U  24           H3*        U  24  87.249  32.176-100.420
  254   1H2*    U  24          1H2*        U  24  88.095  32.312 -98.285
  255   2HO*    U  24          2HO*        U  24  89.752  30.914 -97.551
  256    H1*    U  24           H1*        U  24  90.728  32.531 -98.914
  257    H3     U  24           H3         U  24  88.806  36.332 -97.111
  258    H5     U  24           H5         U  24  88.195  36.594-101.268
  259    H6     U  24           H6         U  24  89.116  34.342-101.482
  260   1H5*    U  25          1H5*        U  25  84.018  28.876 -98.079
  261   2H5*    U  25          2H5*        U  25  85.749  28.598 -98.179
  262    H4*    U  25           H4*        U  25  85.316  28.903 -95.891
  263    H3*    U  25           H3*        U  25  83.579  31.182 -96.776
  264   1H2*    U  25          1H2*        U  25  83.925  32.240 -94.726
  265   2HO*    U  25          2HO*        U  25  84.838  31.140 -92.952
  266    H1*    U  25           H1*        U  25  86.528  31.510 -94.443
  267    H3     U  25           H3         U  25  86.261  36.046 -94.541
  268    H5     U  25           H5         U  25  86.563  34.828 -98.559
  269    H6     U  25           H6         U  25  86.161  32.547 -97.832
  270   1H5*    C  26          1H5*        C  26  79.256  30.350 -93.116
  271   2H5*    C  26          2H5*        C  26  80.566  29.938 -92.058
  272    H4*    C  26           H4*        C  26  80.666  32.151 -91.804
  273    H3*    C  26           H3*        C  26  79.560  32.485 -94.589
  274   1H2*    C  26          1H2*        C  26  80.066  34.771 -94.299
  275   2HO*    C  26          2HO*        C  26  80.546  34.225 -91.538
  276    H1*    C  26           H1*        C  26  82.364  34.309 -92.748
  277   1H4     C  26          1H4         C  26  84.645  36.659 -98.136
  278   2H4     C  26          2H4         C  26  84.374  35.131 -98.952
  279    H5     C  26           H5         C  26  83.127  33.300 -97.958
  280    H6     C  26           H6         C  26  82.014  32.507 -95.921
  281   1H5*    C  27          1H5*        C  27  76.252  36.179 -92.962
  282   2H5*    C  27          2H5*        C  27  76.082  36.112 -91.191
  283    H4*    C  27           H4*        C  27  77.813  37.626 -90.857
  284    H3*    C  27           H3*        C  27  76.340  38.245 -93.402
  285   1H2*    C  27          1H2*        C  27  77.775  39.921 -94.001
  286   2HO*    C  27          2HO*        C  27  78.065  40.166 -91.243
  287    H1*    C  27           H1*        C  27  80.105  38.915 -92.792
  288   1H4     C  27          1H4         C  27  81.300  38.406 -98.943
  289   2H4     C  27          2H4         C  27  80.685  36.767 -98.899
  290    H5     C  27           H5         C  27  79.401  35.890 -97.044
  291    H6     C  27           H6         C  27  78.675  36.309 -94.738
  292   1H5*    G  28          1H5*        G  28  74.508  42.962 -91.676
  293   2H5*    G  28          2H5*        G  28  75.869  42.062 -91.021
  294    H4*    G  28           H4*        G  28  76.831  44.058 -91.778
  295    H3*    G  28           H3*        G  28  74.865  43.795 -94.028
  296   1H2*    G  28          1H2*        G  28  76.290  44.731 -95.578
  297   2HO*    G  28          2HO*        G  28  77.718  45.758 -93.333
  298    H1*    G  28           H1*        G  28  78.696  43.806 -94.593
  299    H8     G  28           H8         G  28  76.160  41.022 -94.866
  300    H1     G  28           H1         G  28  79.192  42.268-100.329
  301   1H2     G  28          1H2         G  28  80.142  45.234 -98.771
  302   2H2     G  28          2H2         G  28  80.203  44.236-100.207
  303   1H5*    A  29          1H5*        A  29  74.993  49.044 -94.394
  304   2H5*    A  29          2H5*        A  29  76.032  47.809 -93.700
  305    H4*    A  29           H4*        A  29  77.293  48.794 -95.441
  306    H3*    A  29           H3*        A  29  74.741  48.569 -97.034
  307   1H2*    A  29          1H2*        A  29  75.986  48.418 -99.001
  308   2HO*    A  29          2HO*        A  29  78.310  48.853 -98.916
  309    H1*    A  29           H1*        A  29  78.091  46.954 -97.931
  310    H8     A  29           H8         A  29  74.849  45.303 -97.015
  311   1H6     A  29          1H6         A  29  75.270  42.346-102.416
  312   2H6     A  29          2H6         A  29  74.522  42.340-100.833
  313    H2     A  29           H2         A  29  78.120  45.822-102.489
  314   1H5*    G  30          1H5*        G  30  74.488  52.374-100.002
  315   2H5*    G  30          2H5*        G  30  75.954  51.676 -99.331
  316    H4*    G  30           H4*        G  30  75.900  51.034-101.614
  317    H3*    G  30           H3*        G  30  73.004  50.433-101.059
  318   1H2*    G  30          1H2*        G  30  73.005  48.704-102.618
  319   2HO*    G  30          2HO*        G  30  75.446  49.860-103.525
  320    H1*    G  30           H1*        G  30  75.466  47.679-102.060
  321    H8     G  30           H8         G  30  73.612  48.511 -98.846
  322    H1     G  30           H1         G  30  72.051  42.908-101.423
  323   1H2     G  30          1H2         G  30  73.558  44.175-104.292
  324   2H2     G  30          2H2         G  30  72.710  42.844-103.536
  325   1H5*    G  31          1H5*        G  31  71.804  52.263-105.954
  326   2H5*    G  31          2H5*        G  31  73.260  51.745-105.113
  327    H4*    G  31           H4*        G  31  72.788  50.091-106.766
  328    H3*    G  31           H3*        G  31  69.983  50.394-105.754
  329   1H2*    G  31          1H2*        G  31  69.504  48.139-106.048
  330   2HO*    G  31          2HO*        G  31  71.036  46.804-107.280
  331    H1*    G  31           H1*        G  31  71.964  47.102-105.359
  332    H8     G  31           H8         G  31  70.896  49.721-102.857
  333    H1     G  31           H1         G  31  68.453  43.959-101.658
  334   1H2     G  31          1H2         G  31  69.290  43.218-104.936
  335   2H2     G  31          2H2         G  31  68.575  42.683-103.436
  336   1H5*    G  32          1H5*        G  32  69.109  47.855-109.957
  337   2H5*    G  32          2H5*        G  32  70.242  48.292-108.681
  338    H4*    G  32           H4*        G  32  69.783  46.037-108.282
  339    H3*    G  32           H3*        G  32  66.934  46.735-108.955
  340   1H2*    G  32          1H2*        G  32  66.135  45.138-107.466
  341   2HO*    G  32          2HO*        G  32  67.498  43.395-106.787
  342    H1*    G  32           H1*        G  32  68.347  45.143-105.707
  343    H8     G  32           H8         G  32  66.800  48.535-105.716
  344    H1     G  32           H1         G  32  63.800  44.329-101.990
  345   1H2     G  32          1H2         G  32  65.463  41.939-103.905
  346   2H2     G  32          2H2         G  32  64.348  42.265-102.598
  347   1H5*    U  33          1H5*        U  33  68.609  44.252-113.122
  348   2H5*    U  33          2H5*        U  33  67.357  43.011-112.814
  349    H4*    U  33           H4*        U  33  67.336  43.569-115.166
  350    H3*    U  33           H3*        U  33  68.059  46.143-114.332
  351   1H2*    U  33          1H2*        U  33  66.020  47.031-113.896
  352   2HO*    U  33          2HO*        U  33  65.839  46.877-116.744
  353    H1*    U  33           H1*        U  33  64.495  45.349-115.828
  354    H3     U  33           H3         U  33  61.011  47.470-113.889
  355    H5     U  33           H5         U  33  62.947  45.554-110.671
  356    H6     U  33           H6         U  33  64.717  44.914-112.203
  357   1H5*    C  34          1H5*        C  34  70.293  43.827-116.755
  358   2H5*    C  34          2H5*        C  34  71.188  45.030-117.733
  359    H4*    C  34           H4*        C  34  72.821  43.677-116.598
  360    H3*    C  34           H3*        C  34  70.987  44.057-114.261
  361   1H2*    C  34          1H2*        C  34  72.655  44.361-112.743
  362   2HO*    C  34          2HO*        C  34  74.822  43.704-113.162
  363    H1*    C  34           H1*        C  34  74.505  45.692-114.274
  364   1H4     C  34          1H4         C  34  69.835  49.055-110.945
  365   2H4     C  34          2H4         C  34  71.376  49.521-110.260
  366    H5     C  34           H5         C  34  69.638  47.565-112.873
  367    H6     C  34           H6         C  34  70.845  46.100-114.372
  368   1H5*    A  35          1H5*        A  35  74.062  39.723-113.453
  369   2H5*    A  35          2H5*        A  35  73.658  41.250-114.288
  370    H4*    A  35           H4*        A  35  75.464  41.918-113.063
  371    H3*    A  35           H3*        A  35  75.082  39.574-111.557
  372   1H2*    A  35          1H2*        A  35  73.972  40.398-109.773
  373   2HO*    A  35          2HO*        A  35  75.396  41.352-108.225
  374    H1*    A  35           H1*        A  35  74.969  43.189-109.985
  375    H8     A  35           H8         A  35  71.637  42.770-111.224
  376   1H6     A  35          1H6         A  35  69.059  43.738-107.272
  377   2H6     A  35          2H6         A  35  69.433  43.708-105.568
  378    H2     A  35           H2         A  35  73.768  42.567-105.196
  379   1H5*    U  36          1H5*        U  36  80.433  41.298-110.717
  380   2H5*    U  36          2H5*        U  36  78.938  41.877-111.429
  381    H4*    U  36           H4*        U  36  79.682  43.676-110.154
  382    H3*    U  36           H3*        U  36  80.447  41.607-108.106
  383   1H2*    U  36          1H2*        U  36  80.167  43.142-106.410
  384   2HO*    U  36          2HO*        U  36  80.118  45.406-106.824
  385    H1*    U  36           H1*        U  36  78.105  44.617-107.582
  386    H3     U  36           H3         U  36  76.783  43.255-103.467
  387    H5     U  36           H5         U  36  75.883  40.119-106.129
  388    H6     U  36           H6         U  36  77.254  41.201-107.790
  389   1H5*    C  37          1H5*        C  37  84.799  44.445-107.357
  390   2H5*    C  37          2H5*        C  37  83.220  44.537-108.127
  391    H4*    C  37           H4*        C  37  83.127  45.838-106.129
  392    H3*    C  37           H3*        C  37  84.305  43.391-104.805
  393   1H2*    C  37          1H2*        C  37  83.174  43.922-102.856
  394   2HO*    C  37          2HO*        C  37  83.120  46.554-103.922
  395    H1*    C  37           H1*        C  37  80.983  45.193-104.067
  396   1H4     C  37          1H4         C  37  78.772  40.150-101.007
  397   2H4     C  37          2H4         C  37  78.908  39.217-102.481
  398    H5     C  37           H5         C  37  80.088  40.001-104.437
  399    H6     C  37           H6         C  37  81.215  41.919-105.458
  400   1H5*    G  38          1H5*        G  38  87.601  46.518-101.748
  401   2H5*    G  38          2H5*        G  38  86.224  47.041-102.710
  402    H4*    G  38           H4*        G  38  85.620  47.673-100.545
  403    H3*    G  38           H3*        G  38  87.048  45.161 -99.742
  404   1H2*    G  38          1H2*        G  38  85.643  44.730 -97.978
  405   2HO*    G  38          2HO*        G  38  84.982  47.492 -98.158
  406    H1*    G  38           H1*        G  38  83.292  45.726 -99.027
  407    H8     G  38           H8         G  38  85.044  43.424-101.464
  408    H1     G  38           H1         G  38  81.479  40.384 -97.146
  409   1H2     G  38          1H2         G  38  81.587  43.392 -95.398
  410   2H2     G  38          2H2         G  38  81.031  41.735 -95.447
  411   1H5*    G  39          1H5*        G  39  88.295  46.705 -95.139
  412   2H5*    G  39          2H5*        G  39  87.166  47.224 -96.384
  413    H4*    G  39           H4*        G  39  85.779  46.030 -94.970
  414    H3*    G  39           H3*        G  39  88.206  44.370 -94.419
  415   1H2*    G  39          1H2*        G  39  86.961  42.385 -94.267
  416   2HO*    G  39          2HO*        G  39  85.321  44.123 -92.971
  417    H1*    G  39           H1*        G  39  84.613  43.263 -95.558
  418    H8     G  39           H8         G  39  87.226  42.909 -98.162
  419    H1     G  39           H1         G  39  84.378  37.450 -96.493
  420   1H2     G  39          1H2         G  39  83.437  37.679 -94.499
  421   2H2     G  39          2H2         G  39  83.507  39.175 -93.596
  422   1H5*    A  40          1H5*        A  40  88.923  44.112 -89.776
  423   2H5*    A  40          2H5*        A  40  87.898  44.977 -88.631
  424    H4*    A  40           H4*        A  40  87.113  42.998 -87.872
  425    H3*    A  40           H3*        A  40  88.878  41.905 -90.092
  426   1H2*    A  40          1H2*        A  40  87.981  39.753 -89.699
  427   2HO*    A  40          2HO*        A  40  86.709  41.006 -87.474
  428    H1*    A  40           H1*        A  40  85.462  40.552 -89.920
  429    H8     A  40           H8         A  40  87.594  42.816 -92.023
  430   1H6     A  40          1H6         A  40  87.414  38.366 -96.323
  431   2H6     A  40          2H6         A  40  87.705  40.071 -96.044
  432    H2     A  40           H2         A  40  86.011  36.612 -92.442
  433   1H5*    A  41          1H5*        A  41  89.790  38.526 -86.604
  434   2H5*    A  41          2H5*        A  41  88.302  39.225 -87.311
  435    H4*    A  41           H4*        A  41  88.173  36.764 -87.181
  436    H3*    A  41           H3*        A  41  90.768  37.011 -88.637
  437   1H2*    A  41          1H2*        A  41  90.310  35.335 -90.132
  438   2HO*    A  41          2HO*        A  41  88.301  34.436 -88.321
  439    H1*    A  41           H1*        A  41  87.577  35.610 -90.319
  440    H8     A  41           H8         A  41  89.613  38.796 -90.747
  441   1H6     A  41          1H6         A  41  90.472  38.557 -95.482
  442   2H6     A  41          2H6         A  41  90.223  37.308 -96.680
  443    H2     A  41           H2         A  41  88.357  33.822 -94.554
  444   1H5*    C  42          1H5*        C  42  92.462  32.608 -87.183
  445   2H5*    C  42          2H5*        C  42  90.969  32.960 -88.100
  446    H4*    C  42           H4*        C  42  92.494  31.250 -89.154
  447    H3*    C  42           H3*        C  42  94.302  33.629 -89.117
  448   1H2*    C  42          1H2*        C  42  95.001  33.344 -91.256
  449   2HO*    C  42          2HO*        C  42  94.186  30.634 -91.072
  450    H1*    C  42           H1*        C  42  92.813  32.059 -92.323
  451   1H4     C  42          1H4         C  42  93.002  37.697 -95.194
  452   2H4     C  42          2H4         C  42  92.876  38.542 -93.668
  453    H5     C  42           H5         C  42  92.768  37.419 -91.545
  454    H6     C  42           H6         C  42  92.771  35.244 -90.416
  455   1H5*    C  43          1H5*        C  43  97.632  29.888 -89.988
  456   2H5*    C  43          2H5*        C  43  96.023  30.402 -90.577
  457    H4*    C  43           H4*        C  43  97.669  29.835 -92.394
  458    H3*    C  43           H3*        C  43  99.123  32.046 -91.009
  459   1H2*    C  43          1H2*        C  43  99.754  33.099 -92.933
  460   2HO*    C  43          2HO*        C  43 100.566  31.144 -93.913
  461    H1*    C  43           H1*        C  43  97.539  32.553 -94.498
  462   1H4     C  43          1H4         C  43  97.205  38.603 -92.532
  463   2H4     C  43          2H4         C  43  96.754  38.086 -90.923
  464    H5     C  43           H5         C  43  96.653  35.776 -90.257
  465    H6     C  43           H6         C  43  96.896  33.439 -91.018
  466   1H5*    A  44          1H5*        A  44  99.723  31.319 -87.377
  467   2H5*    A  44          2H5*        A  44 101.337  30.797 -87.947
  468    H4*    A  44           H4*        A  44 101.236  33.220 -87.430
  469    H3*    A  44           H3*        A  44  98.841  33.043 -89.094
  470   1H2*    A  44          1H2*        A  44  99.581  34.142 -90.890
  471   2HO*    A  44          2HO*        A  44 100.209  36.320 -90.629
  472    H1*    A  44           H1*        A  44 102.207  34.969 -89.820
  473    H8     A  44           H8         A  44 101.875  31.751 -91.722
  474   1H6     A  44          1H6         A  44 103.096  33.303 -96.132
  475   2H6     A  44          2H6         A  44 103.340  34.895 -96.812
  476    H2     A  44           H2         A  44 102.608  37.851 -93.504
  477    H3T    A  44           H3T        A  44  98.960  34.020 -87.023
   
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  63.967  38.333-111.206
    2   2H5*    G   1          2H5*        G   1  64.290  39.324-109.764
    3    H4*    G   1           H4*        G   1  64.688  36.640-109.891
    4    H3*    G   1           H3*        G   1  61.818  37.113-109.272
    5   1H2*    G   1          1H2*        G   1  61.780  35.854-107.300
    6   2HO*    G   1          2HO*        G   1  63.343  34.362-106.804
    7    H1*    G   1           H1*        G   1  64.095  36.604-106.243
    8    H8     G   1           H8         G   1  63.024  39.670-108.030
    9    H1     G   1           H1         G   1  60.489  39.191-102.211
   10   1H2     G   1          1H2         G   1  61.325  35.828-102.405
   11   2H2     G   1          2H2         G   1  60.605  37.125-101.469
   12    H5T    G   1           H5T        G   1  62.232  39.726-110.596
   13   1H5*    G   2          1H5*        G   2  59.419  33.222-109.738
   14   2H5*    G   2          2H5*        G   2  61.046  33.547-109.157
   15    H4*    G   2           H4*        G   2  59.725  33.310-107.220
   16    H3*    G   2           H3*        G   2  57.731  35.045-108.671
   17   1H2*    G   2          1H2*        G   2  57.012  35.922-106.657
   18   2HO*    G   2          2HO*        G   2  57.645  34.818-104.639
   19    H1*    G   2           H1*        G   2  59.430  35.716-105.276
   20    H8     G   2           H8         G   2  59.805  37.809-108.361
   21    H1     G   2           H1         G   2  57.094  40.926-103.519
   22   1H2     G   2          1H2         G   2  56.570  37.751-102.183
   23   2H2     G   2          2H2         G   2  56.367  39.479-102.002
   24   1H5*    G   3          1H5*        G   3  53.780  31.890-106.722
   25   2H5*    G   3          2H5*        G   3  55.495  32.091-106.380
   26    H4*    G   3           H4*        G   3  54.369  32.901-104.459
   27    H3*    G   3           H3*        G   3  52.510  34.087-106.477
   28   1H2*    G   3          1H2*        G   3  52.182  36.022-105.284
   29   2HO*    G   3          2HO*        G   3  52.925  34.459-103.033
   30    H1*    G   3           H1*        G   3  54.596  36.103-103.897
   31    H8     G   3           H8         G   3  55.104  36.066-107.622
   32    H1     G   3           H1         G   3  53.865  41.831-105.208
   33   1H2     G   3          1H2         G   3  52.729  40.066-102.430
   34   2H2     G   3          2H2         G   3  52.983  41.624-103.184
   35   1H5*    A   4          1H5*        A   4  48.617  32.983-102.561
   36   2H5*    A   4          2H5*        A   4  50.368  32.925-102.415
   37    H4*    A   4           H4*        A   4  49.682  34.298-100.629
   38    H3*    A   4           H3*        A   4  47.671  35.330-102.600
   39   1H2*    A   4          1H2*        A   4  47.745  37.489-101.806
   40   2HO*    A   4          2HO*        A   4  48.860  36.310 -99.472
   41    H1*    A   4           H1*        A   4  50.398  37.665-101.191
   42    H8     A   4           H8         A   4  49.966  35.961-104.498
   43   1H6     A   4          1H6         A   4  50.172  41.577-107.006
   44   2H6     A   4          2H6         A   4  50.330  39.863-107.316
   45    H2     A   4           H2         A   4  49.508  42.042-102.585
   46   1H5*    G   5          1H5*        G   5  44.297  36.758 -99.013
   47   2H5*    G   5          2H5*        G   5  46.025  36.433 -98.990
   48    H4*    G   5           H4*        G   5  45.903  38.760 -98.777
   49    H3*    G   5           H3*        G   5  43.601  38.507-100.674
   50   1H2*    G   5          1H2*        G   5  44.031  40.525-101.698
   51   2HO*    G   5          2HO*        G   5  45.338  42.134-100.640
   52    H1*    G   5           H1*        G   5  46.813  40.612-101.297
   53    H8     G   5           H8         G   5  45.913  37.464-103.086
   54    H1     G   5           H1         G   5  46.399  42.495-106.970
   55   1H2     G   5          1H2         G   5  46.266  44.384-105.821
   56   2H2     G   5          2H2         G   5  46.070  44.403-104.079
   57   1H5*    C   6          1H5*        C   6  40.703  41.456 -97.815
   58   2H5*    C   6          2H5*        C   6  41.979  42.057 -98.917
   59    H4*    C   6           H4*        C   6  39.880  43.325 -99.193
   60    H3*    C   6           H3*        C   6  38.783  40.561 -99.511
   61   1H2*    C   6          1H2*        C   6  37.457  41.070-101.299
   62   2HO*    C   6          2HO*        C   6  36.505  42.911-100.240
   63    H1*    C   6           H1*        C   6  39.008  43.027-102.504
   64   1H4     C   6          1H4         C   6  39.686  37.768-106.011
   65   2H4     C   6          2H4         C   6  40.695  37.039-104.782
   66    H5     C   6           H5         C   6  41.147  38.079-102.658
   67    H6     C   6           H6         C   6  40.718  40.039-101.247
   68   1H5*    U   7          1H5*        U   7  34.113  41.421 -98.122
   69   2H5*    U   7          2H5*        U   7  35.344  42.279 -99.097
   70    H4*    U   7           H4*        U   7  33.651  41.462-100.601
   71    H3*    U   7           H3*        U   7  33.942  38.966 -98.980
   72   1H2*    U   7          1H2*        U   7  33.812  37.555-100.776
   73   2HO*    U   7          2HO*        U   7  32.586  39.676-102.230
   74    H1*    U   7           H1*        U   7  34.831  39.263-102.770
   75    H3     U   7           H3         U   7  37.574  35.751-103.213
   76    H5     U   7           H5         U   7  38.420  37.134 -99.325
   77    H6     U   7           H6         U   7  36.614  38.730 -99.564
   78   1H5*    C   8          1H5*        C   8  31.344  36.310 -98.769
   79   2H5*    C   8          2H5*        C   8  29.584  36.333 -98.445
   80    H4*    C   8           H4*        C   8  30.109  34.757-100.239
   81    H3*    C   8           H3*        C   8  31.859  36.896-101.089
   82   1H2*    C   8          1H2*        C   8  30.771  37.671-102.859
   83   2HO*    C   8          2HO*        C   8  30.610  34.945-103.686
   84    H1*    C   8           H1*        C   8  28.584  35.746-103.038
   85   1H4     C   8          1H4         C   8  25.861  41.259-104.478
   86   2H4     C   8          2H4         C   8  26.751  42.078-103.214
   87    H5     C   8           H5         C   8  28.335  40.945-101.783
   88    H6     C   8           H6         C   8  29.420  38.839-101.260
   89   1H5*    A   9          1H5*        A   9  33.595  33.456-104.762
   90   2H5*    A   9          2H5*        A   9  31.819  33.652-104.687
   91    H4*    A   9           H4*        A   9  32.781  33.635-107.015
   92    H3*    A   9           H3*        A   9  34.187  36.017-105.875
   93   1H2*    A   9          1H2*        A   9  33.855  37.304-107.736
   94   2HO*    A   9          2HO*        A   9  34.701  35.703-109.184
   95    H1*    A   9           H1*        A   9  31.426  36.243-108.596
   96    H8     A   9           H8         A   9  30.510  37.180-105.287
   97   1H6     A   9          1H6         A   9  31.268  43.154-106.585
   98   2H6     A   9          2H6         A   9  30.583  42.009-105.452
   99    H2     A   9           H2         A   9  33.240  40.755-109.838
  100   1H5*    A  10          1H5*        A  10  38.318  34.482-109.260
  101   2H5*    A  10          2H5*        A  10  36.562  34.137-109.257
  102    H4*    A  10           H4*        A  10  36.913  35.108-111.360
  103    H3*    A  10           H3*        A  10  38.936  36.794-109.938
  104   1H2*    A  10          1H2*        A  10  38.496  38.671-111.183
  105   2HO*    A  10          2HO*        A  10  37.396  38.559-113.196
  106    H1*    A  10           H1*        A  10  35.795  38.377-111.568
  107    H8     A  10           H8         A  10  36.438  37.780-107.943
  108   1H6     A  10          1H6         A  10  37.146  43.854-107.231
  109   2H6     A  10          2H6         A  10  36.913  42.331-106.403
  110    H2     A  10           H2         A  10  37.189  42.940-111.630
  111   1H5*    C  11          1H5*        C  11  41.873  37.589-114.037
  112   2H5*    C  11          2H5*        C  11  40.098  37.400-113.916
  113    H4*    C  11           H4*        C  11  40.587  39.631-114.716
  114    H3*    C  11           H3*        C  11  42.551  39.608-112.455
  115   1H2*    C  11          1H2*        C  11  42.120  41.772-111.836
  116   2HO*    C  11          2HO*        C  11  41.144  43.271-113.270
  117    H1*    C  11           H1*        C  11  39.456  41.938-112.506
  118   1H4     C  11          1H4         C  11  40.314  39.969-106.235
  119   2H4     C  11          2H4         C  11  39.709  41.608-106.171
  120    H5     C  11           H5         C  11  40.809  38.823-108.293
  121    H6     C  11           H6         C  11  40.858  39.008-110.736
  122   1H5*    U  12          1H5*        U  12  44.858  43.546-115.257
  123   2H5*    U  12          2H5*        U  12  43.099  43.224-115.230
  124    H4*    U  12           H4*        U  12  43.566  45.595-114.794
  125    H3*    U  12           H3*        U  12  45.377  44.414-112.724
  126   1H2*    U  12          1H2*        U  12  44.822  45.950-111.115
  127   2HO*    U  12          2HO*        U  12  43.916  47.979-111.637
  128    H1*    U  12           H1*        U  12  42.172  46.451-111.869
  129    H3     U  12           H3         U  12  41.158  44.739-107.875
  130    H5     U  12           H5         U  12  43.776  41.845-109.469
  131    H6     U  12           H6         U  12  44.007  43.241-111.443
  132   1H5*    C  13          1H5*        C  13  48.322  48.692-112.771
  133   2H5*    C  13          2H5*        C  13  46.652  48.273-113.140
  134    H4*    C  13           H4*        C  13  46.675  49.624-111.142
  135    H3*    C  13           H3*        C  13  48.876  47.744-110.365
  136   1H2*    C  13          1H2*        C  13  48.206  47.651-108.143
  137   2HO*    C  13          2HO*        C  13  46.783  50.006-108.786
  138    H1*    C  13           H1*        C  13  45.563  47.526-108.480
  139   1H4     C  13          1H4         C  13  46.866  41.354-108.394
  140   2H4     C  13          2H4         C  13  47.184  41.406-110.114
  141    H5     C  13           H5         C  13  47.416  43.460-111.348
  142    H6     C  13           H6         C  13  47.241  45.899-111.233
  143   1H5*    U  14          1H5*        U  14  51.123  50.794-106.964
  144   2H5*    U  14          2H5*        U  14  49.450  50.829-107.507
  145    H4*    U  14           H4*        U  14  49.236  50.120-105.310
  146    H3*    U  14           H3*        U  14  51.826  48.661-105.789
  147   1H2*    U  14          1H2*        U  14  51.254  47.010-104.269
  148   2HO*    U  14          2HO*        U  14  49.470  47.332-102.794
  149    H1*    U  14           H1*        U  14  48.529  46.952-104.737
  150    H3     U  14           H3         U  14  50.078  42.796-105.614
  151    H5     U  14           H5         U  14  50.819  45.015-109.116
  152    H6     U  14           H6         U  14  50.340  47.027-107.861
  153   1H5*    C  15          1H5*        C  15  52.721  49.726-100.677
  154   2H5*    C  15          2H5*        C  15  51.454  49.790-101.898
  155    H4*    C  15           H4*        C  15  50.994  47.906-100.502
  156    H3*    C  15           H3*        C  15  53.926  47.343-100.866
  157   1H2*    C  15          1H2*        C  15  53.574  45.065-100.875
  158   2HO*    C  15          2HO*        C  15  51.553  44.174-100.107
  159    H1*    C  15           H1*        C  15  51.076  45.035-102.034
  160   1H4     C  15          1H4         C  15  54.731  42.678-106.575
  161   2H4     C  15          2H4         C  15  55.005  44.299-107.178
  162    H5     C  15           H5         C  15  54.430  46.288-105.926
  163    H6     C  15           H6         C  15  53.263  47.143-103.953
  164   1H5*    C  16          1H5*        C  16  54.322  45.229 -96.123
  165   2H5*    C  16          2H5*        C  16  52.998  45.585 -97.225
  166    H4*    C  16           H4*        C  16  53.261  43.214 -97.192
  167    H3*    C  16           H3*        C  16  56.180  43.862 -97.516
  168   1H2*    C  16          1H2*        C  16  56.518  41.992 -98.806
  169   2HO*    C  16          2HO*        C  16  54.131  40.996 -97.629
  170    H1*    C  16           H1*        C  16  54.025  41.821 -99.951
  171   1H4     C  16          1H4         C  16  57.764  44.890-104.350
  172   2H4     C  16          2H4         C  16  57.923  43.181-104.704
  173    H5     C  16           H5         C  16  56.681  45.732-102.355
  174    H6     C  16           H6         C  16  55.471  45.099-100.309
  175   1H5*    C  17          1H5*        C  17  57.860  40.098 -93.960
  176   2H5*    C  17          2H5*        C  17  56.252  40.121 -94.670
  177    H4*    C  17           H4*        C  17  57.125  38.032 -95.295
  178    H3*    C  17           H3*        C  17  59.685  39.550 -95.623
  179   1H2*    C  17          1H2*        C  17  60.404  38.266 -97.391
  180   2HO*    C  17          2HO*        C  17  59.294  36.215 -97.853
  181    H1*    C  17           H1*        C  17  57.941  37.709 -98.545
  182   1H4     C  17          1H4         C  17  59.705  43.281-101.467
  183   2H4     C  17          2H4         C  17  60.372  42.010-102.466
  184    H5     C  17           H5         C  17  58.791  42.892 -99.275
  185    H6     C  17           H6         C  17  58.150  41.183 -97.643
  186   1H5*    C  18          1H5*        C  18  62.929  36.062 -94.360
  187   2H5*    C  18          2H5*        C  18  61.255  36.101 -94.905
  188    H4*    C  18           H4*        C  18  62.542  35.734 -96.849
  189    H3*    C  18           H3*        C  18  64.364  37.828 -95.688
  190   1H2*    C  18          1H2*        C  18  64.913  38.638 -97.785
  191   2HO*    C  18          2HO*        C  18  64.257  36.015 -98.592
  192    H1*    C  18           H1*        C  18  62.518  37.953 -99.100
  193   1H4     C  18          1H4         C  18  62.513  44.226 -99.296
  194   2H4     C  18          2H4         C  18  61.629  44.256 -97.785
  195    H5     C  18           H5         C  18  61.378  42.319 -96.369
  196    H6     C  18           H6         C  18  61.738  39.893 -96.197
  197   1H5*    C  19          1H5*        C  19  67.930  34.461 -98.162
  198   2H5*    C  19          2H5*        C  19  66.207  34.809 -98.155
  199    H4*    C  19           H4*        C  19  66.900  35.116-100.396
  200    H3*    C  19           H3*        C  19  69.273  36.453 -99.137
  201   1H2*    C  19          1H2*        C  19  69.472  37.978-100.842
  202   2HO*    C  19          2HO*        C  19  68.272  37.562-102.881
  203    H1*    C  19           H1*        C  19  66.796  38.128-101.576
  204   1H4     C  19          1H4         C  19  67.902  43.826 -99.139
  205   2H4     C  19          2H4         C  19  67.523  43.211 -97.541
  206    H5     C  19           H5         C  19  67.289  40.850 -97.052
  207    H6     C  19           H6         C  19  67.194  38.598 -98.023
  208   1H5*    C  20          1H5*        C  20  72.555  34.445-102.930
  209   2H5*    C  20          2H5*        C  20  70.815  34.622-103.109
  210    H4*    C  20           H4*        C  20  71.754  35.782-104.944
  211    H3*    C  20           H3*        C  20  73.726  36.663-102.903
  212   1H2*    C  20          1H2*        C  20  74.022  38.750-103.764
  213   2HO*    C  20          2HO*        C  20  73.026  39.197-105.936
  214    H1*    C  20           H1*        C  20  71.502  39.222-104.639
  215   1H4     C  20          1H4         C  20  71.563  42.436 -99.233
  216   2H4     C  20          2H4         C  20  71.142  40.973 -98.371
  217    H5     C  20           H5         C  20  71.217  38.783 -99.383
  218    H6     C  20           H6         C  20  71.474  37.562-101.497
  219   1H5*    C  21          1H5*        C  21  76.822  38.193-107.099
  220   2H5*    C  21          2H5*        C  21  75.806  39.483-106.396
  221    H4*    C  21           H4*        C  21  78.063  40.142-106.021
  222    H3*    C  21           H3*        C  21  78.437  37.242-105.370
  223   1H2*    C  21          1H2*        C  21  79.961  37.653-103.703
  224   2HO*    C  21          2HO*        C  21  80.376  40.222-104.862
  225    H1*    C  21           H1*        C  21  79.065  40.217-102.938
  226   1H4     C  21          1H4         C  21  78.332  35.861 -98.283
  227   2H4     C  21          2H4         C  21  76.610  36.095 -98.487
  228    H5     C  21           H5         C  21  75.668  37.395-100.263
  229    H6     C  21           H6         C  21  76.121  38.710-102.281
  230   1H5*    U  22          1H5*        U  22  82.789  37.021-108.419
  231   2H5*    U  22          2H5*        U  22  83.036  38.370-107.270
  232    H4*    U  22           H4*        U  22  84.326  36.900-105.798
  233    H3*    U  22           H3*        U  22  85.142  37.820-108.324
  234   1H2*    U  22          1H2*        U  22  85.273  35.862-109.454
  235   2HO*    U  22          2HO*        U  22  87.472  36.296-109.152
  236    H1*    U  22           H1*        U  22  85.825  34.138-107.092
  237    H3     U  22           H3         U  22  85.504  31.852-111.238
  238    H5     U  22           H5         U  22  81.725  31.937-109.375
  239    H6     U  22           H6         U  22  82.601  33.577-107.819
  240   1H5*    U  23          1H5*        U  23  88.148  35.602-107.717
  241   2H5*    U  23          2H5*        U  23  89.675  36.106-108.503
  242    H4*    U  23           H4*        U  23  89.995  34.117-107.065
  243    H3*    U  23           H3*        U  23  88.686  35.919-105.085
  244   1H2*    U  23          1H2*        U  23  90.134  35.478-103.387
  245   2HO*    U  23          2HO*        U  23  90.837  33.073-104.736
  246    H1*    U  23           H1*        U  23  92.403  34.824-104.832
  247    H3     U  23           H3         U  23  93.954  38.201-102.307
  248    H5     U  23           H5         U  23  90.953  40.027-104.638
  249    H6     U  23           H6         U  23  90.419  37.838-105.544
  250   1H5*    U  24          1H5*        U  24  86.478  31.068-103.866
  251   2H5*    U  24          2H5*        U  24  88.122  31.666-104.240
  252    H4*    U  24           H4*        U  24  87.989  30.138-102.239
  253    H3*    U  24           H3*        U  24  86.171  32.349-101.377
  254   1H2*    U  24          1H2*        U  24  87.001  32.454 -99.247
  255   2HO*    U  24          2HO*        U  24  88.298  30.784 -98.363
  256    H1*    U  24           H1*        U  24  89.634  32.041 -99.772
  257    H3     U  24           H3         U  24  88.603  36.276 -98.221
  258    H5     U  24           H5         U  24  88.169  36.435-102.409
  259    H6     U  24           H6         U  24  88.525  34.022-102.474
  260   1H5*    U  25          1H5*        U  25  82.746  29.559 -98.659
  261   2H5*    U  25          2H5*        U  25  84.457  29.232 -98.884
  262    H4*    U  25           H4*        U  25  84.118  29.715 -96.572
  263    H3*    U  25           H3*        U  25  82.596  32.107 -97.598
  264   1H2*    U  25          1H2*        U  25  83.188  33.296 -95.670
  265   2HO*    U  25          2HO*        U  25  84.261  32.198 -93.917
  266    H1*    U  25           H1*        U  25  85.750  32.391 -95.516
  267    H3     U  25           H3         U  25  85.946  36.838 -96.369
  268    H5     U  25           H5         U  25  85.592  34.979-100.133
  269    H6     U  25           H6         U  25  85.085  32.904 -98.990
  270   1H5*    C  26          1H5*        C  26  78.672  32.183 -94.476
  271   2H5*    C  26          2H5*        C  26  80.296  31.532 -94.311
  272    H4*    C  26           H4*        C  26  80.266  33.476 -92.984
  273    H3*    C  26           H3*        C  26  78.796  34.705 -95.304
  274   1H2*    C  26          1H2*        C  26  79.692  36.786 -94.812
  275   2HO*    C  26          2HO*        C  26  79.993  35.709 -92.209
  276    H1*    C  26           H1*        C  26  82.078  35.890 -93.657
  277   1H4     C  26          1H4         C  26  84.083  38.987 -98.737
  278   2H4     C  26          2H4         C  26  83.959  37.511 -99.674
  279    H5     C  26           H5         C  26  82.828  35.529 -98.874
  280    H6     C  26           H6         C  26  81.737  34.484 -96.947
  281   1H5*    C  27          1H5*        C  27  75.434  37.699 -93.562
  282   2H5*    C  27          2H5*        C  27  75.213  37.850 -91.802
  283    H4*    C  27           H4*        C  27  76.999  39.347 -91.605
  284    H3*    C  27           H3*        C  27  75.542  39.784 -94.211
  285   1H2*    C  27          1H2*        C  27  77.018  41.437 -94.850
  286   2HO*    C  27          2HO*        C  27  77.087  41.871 -92.130
  287    H1*    C  27           H1*        C  27  79.274  40.465 -93.443
  288   1H4     C  27          1H4         C  27  80.938  40.072 -99.473
  289   2H4     C  27          2H4         C  27  80.457  38.387 -99.453
  290    H5     C  27           H5         C  27  79.109  37.424 -97.691
  291    H6     C  27           H6         C  27  78.166  37.800 -95.458
  292   1H5*    G  28          1H5*        G  28  73.906  44.657 -92.145
  293   2H5*    G  28          2H5*        G  28  75.077  43.503 -91.525
  294    H4*    G  28           H4*        G  28  76.400  45.370 -91.781
  295    H3*    G  28           H3*        G  28  74.542  46.102 -94.005
  296   1H2*    G  28          1H2*        G  28  76.167  47.067 -95.313
  297   2HO*    G  28          2HO*        G  28  78.171  47.763 -94.410
  298    H1*    G  28           H1*        G  28  78.362  45.553 -94.602
  299    H8     G  28           H8         G  28  75.538  43.220 -95.315
  300    H1     G  28           H1         G  28  78.818  44.799-100.535
  301   1H2     G  28          1H2         G  28  79.990  47.483 -98.673
  302   2H2     G  28          2H2         G  28  79.987  46.629-100.205
  303   1H5*    A  29          1H5*        A  29  73.698  49.977 -94.995
  304   2H5*    A  29          2H5*        A  29  74.853  51.198 -94.471
  305    H4*    A  29           H4*        A  29  75.646  51.373 -96.574
  306    H3*    A  29           H3*        A  29  73.567  49.217 -97.122
  307   1H2*    A  29          1H2*        A  29  74.336  49.231 -99.373
  308   2HO*    A  29          2HO*        A  29  76.102  51.357 -98.660
  309    H1*    A  29           H1*        A  29  76.967  49.251 -98.699
  310    H8     A  29           H8         A  29  74.962  46.778 -96.561
  311   1H6     A  29          1H6         A  29  75.280  42.965-101.423
  312   2H6     A  29          2H6         A  29  74.914  43.069 -99.710
  313    H2     A  29           H2         A  29  76.671  47.018-102.722
  314   1H5*    G  30          1H5*        G  30  71.565  52.684-100.444
  315   2H5*    G  30          2H5*        G  30  73.066  52.201 -99.658
  316    H4*    G  30           H4*        G  30  73.181  51.824-102.079
  317    H3*    G  30           H3*        G  30  70.631  50.356-101.512
  318   1H2*    G  30          1H2*        G  30  71.137  48.614-102.963
  319   2HO*    G  30          2HO*        G  30  73.151  50.358-103.980
  320    H1*    G  30           H1*        G  30  73.761  48.317-102.398
  321    H8     G  30           H8         G  30  71.873  49.081 -99.200
  322    H1     G  30           H1         G  30  71.771  42.955-100.913
  323   1H2     G  30          1H2         G  30  72.842  44.133-104.004
  324   2H2     G  30          2H2         G  30  72.390  42.754-103.027
  325   1H5*    G  31          1H5*        G  31  68.822  51.412-106.367
  326   2H5*    G  31          2H5*        G  31  70.421  51.302-105.638
  327    H4*    G  31           H4*        G  31  70.176  49.482-107.191
  328    H3*    G  31           H3*        G  31  67.543  49.185-105.802
  329   1H2*    G  31          1H2*        G  31  67.588  46.866-105.908
  330   2HO*    G  31          2HO*        G  31  69.688  47.193-107.828
  331    H1*    G  31           H1*        G  31  70.263  46.482-105.438
  332    H8     G  31           H8         G  31  68.821  49.148-103.163
  333    H1     G  31           H1         G  31  68.053  43.242-100.895
  334   1H2     G  31          1H2         G  31  68.810  42.189-104.098
  335   2H2     G  31          2H2         G  31  68.372  41.760-102.464
  336   1H5*    G  32          1H5*        G  32  66.612  46.284-109.688
  337   2H5*    G  32          2H5*        G  32  67.792  47.152-108.718
  338    H4*    G  32           H4*        G  32  67.997  44.998-107.927
  339    H3*    G  32           H3*        G  32  65.007  44.809-108.236
  340   1H2*    G  32          1H2*        G  32  64.944  43.164-106.594
  341   2HO*    G  32          2HO*        G  32  67.466  42.621-107.631
  342    H1*    G  32           H1*        G  32  67.270  44.032-105.216
  343    H8     G  32           H8         G  32  64.828  46.793-105.057
  344    H1     G  32           H1         G  32  63.676  42.200-100.803
  345   1H2     G  32          1H2         G  32  65.608  40.195-102.891
  346   2H2     G  32          2H2         G  32  64.652  40.314-101.430
  347   1H5*    U  33          1H5*        U  33  63.478  42.110-111.779
  348   2H5*    U  33          2H5*        U  33  63.649  43.878-112.019
  349    H4*    U  33           H4*        U  33  63.507  42.071-114.033
  350    H3*    U  33           H3*        U  33  66.104  41.706-112.987
  351   1H2*    U  33          1H2*        U  33  67.136  43.542-113.854
  352   2HO*    U  33          2HO*        U  33  67.816  43.204-116.027
  353    H1*    U  33           H1*        U  33  65.313  43.878-116.182
  354    H3     U  33           H3         U  33  67.206  47.863-116.884
  355    H5     U  33           H5         U  33  66.842  47.746-112.686
  356    H6     U  33           H6         U  33  65.933  45.506-112.893
  357   1H5*    C  34          1H5*        C  34  68.505  37.925-114.842
  358   2H5*    C  34          2H5*        C  34  68.121  39.097-116.135
  359    H4*    C  34           H4*        C  34  70.524  39.003-115.819
  360    H3*    C  34           H3*        C  34  69.791  39.346-112.930
  361   1H2*    C  34          1H2*        C  34  71.561  40.753-112.498
  362   2HO*    C  34          2HO*        C  34  72.704  39.918-114.979
  363    H1*    C  34           H1*        C  34  71.626  42.146-114.869
  364   1H4     C  34          1H4         C  34  67.655  44.361-110.009
  365   2H4     C  34          2H4         C  34  68.747  45.670-110.408
  366    H5     C  34           H5         C  34  67.646  42.231-111.213
  367    H6     C  34           H6         C  34  68.735  40.909-112.920
  368   1H5*    A  35          1H5*        A  35  74.342  38.108-112.109
  369   2H5*    A  35          2H5*        A  35  73.198  38.972-113.163
  370    H4*    A  35           H4*        A  35  74.487  40.687-112.382
  371    H3*    A  35           H3*        A  35  75.210  38.900-110.326
  372   1H2*    A  35          1H2*        A  35  73.937  39.726-108.626
  373   2HO*    A  35          2HO*        A  35  75.705  41.947-108.981
  374    H1*    A  35           H1*        A  35  73.695  42.450-109.807
  375    H8     A  35           H8         A  35  70.706  40.866-110.266
  376   1H6     A  35          1H6         A  35  68.277  42.071-106.290
  377   2H6     A  35          2H6         A  35  68.781  42.502-104.676
  378    H2     A  35           H2         A  35  73.283  42.518-104.674
  379   1H5*    U  36          1H5*        U  36  79.333  42.652-110.853
  380   2H5*    U  36          2H5*        U  36  77.614  42.574-111.196
  381    H4*    U  36           H4*        U  36  78.041  44.739-110.336
  382    H3*    U  36           H3*        U  36  79.530  43.314-108.131
  383   1H2*    U  36          1H2*        U  36  79.077  45.115-106.729
  384   2HO*    U  36          2HO*        U  36  78.147  47.072-107.608
  385    H1*    U  36           H1*        U  36  76.516  45.572-107.678
  386    H3     U  36           H3         U  36  76.410  44.619-103.251
  387    H5     U  36           H5         U  36  76.119  40.945-105.272
  388    H6     U  36           H6         U  36  76.813  42.063-107.315
  389   1H5*    C  37          1H5*        C  37  83.916  45.935-107.692
  390   2H5*    C  37          2H5*        C  37  82.433  46.525-108.425
  391    H4*    C  37           H4*        C  37  82.599  47.738-106.430
  392    H3*    C  37           H3*        C  37  83.540  45.142-105.228
  393   1H2*    C  37          1H2*        C  37  82.627  45.689-103.184
  394   2HO*    C  37          2HO*        C  37  82.032  47.927-102.732
  395    H1*    C  37           H1*        C  37  80.511  47.276-104.107
  396   1H4     C  37          1H4         C  37  77.767  42.244-101.487
  397   2H4     C  37          2H4         C  37  77.816  41.433-103.036
  398    H5     C  37           H5         C  37  79.102  42.244-104.908
  399    H6     C  37           H6         C  37  80.456  44.102-105.756
  400   1H5*    G  38          1H5*        G  38  86.752  48.245-102.008
  401   2H5*    G  38          2H5*        G  38  85.451  48.821-103.042
  402    H4*    G  38           H4*        G  38  84.765  49.570-100.951
  403    H3*    G  38           H3*        G  38  86.118  47.087 -99.958
  404   1H2*    G  38          1H2*        G  38  84.667  46.803 -98.191
  405   2HO*    G  38          2HO*        G  38  83.950  49.525 -98.652
  406    H1*    G  38           H1*        G  38  82.346  47.590 -99.398
  407    H8     G  38           H8         G  38  84.432  45.388-101.677
  408    H1     G  38           H1         G  38  80.782  42.135 -97.594
  409   1H2     G  38          1H2         G  38  80.522  45.160 -95.891
  410   2H2     G  38          2H2         G  38  80.101  43.463 -95.958
  411   1H5*    G  39          1H5*        G  39  87.819  48.806 -95.537
  412   2H5*    G  39          2H5*        G  39  86.447  49.293 -96.520
  413    H4*    G  39           H4*        G  39  85.559  48.231 -94.588
  414    H3*    G  39           H3*        G  39  87.584  46.068 -95.169
  415   1H2*    G  39          1H2*        G  39  86.185  44.515 -94.141
  416   2HO*    G  39          2HO*        G  39  84.867  46.801 -93.078
  417    H1*    G  39           H1*        G  39  83.819  45.534 -95.122
  418    H8     G  39           H8         G  39  86.291  45.342 -97.932
  419    H1     G  39           H1         G  39  83.649  39.700 -96.563
  420   1H2     G  39          1H2         G  39  82.705  39.765 -94.562
  421   2H2     G  39          2H2         G  39  82.714  41.206 -93.567
  422   1H5*    A  40          1H5*        A  40  89.571  45.175 -90.418
  423   2H5*    A  40          2H5*        A  40  88.017  45.940 -90.712
  424    H4*    A  40           H4*        A  40  87.379  43.931 -89.747
  425    H3*    A  40           H3*        A  40  89.777  42.808 -91.165
  426   1H2*    A  40          1H2*        A  40  88.793  40.753 -91.424
  427   2HO*    A  40          2HO*        A  40  86.939  40.158 -90.108
  428    H1*    A  40           H1*        A  40  86.132  41.554 -91.513
  429    H8     A  40           H8         A  40  88.150  43.210 -94.221
  430   1H6     A  40          1H6         A  40  86.796  38.263 -97.633
  431   2H6     A  40          2H6         A  40  87.298  39.939 -97.674
  432    H2     A  40           H2         A  40  86.000  37.249 -93.322
  433   1H5*    A  41          1H5*        A  41  89.700  39.388 -86.970
  434   2H5*    A  41          2H5*        A  41  88.326  40.332 -87.613
  435    H4*    A  41           H4*        A  41  87.642  38.029 -87.462
  436    H3*    A  41           H3*        A  41  90.300  37.516 -88.740
  437   1H2*    A  41          1H2*        A  41  89.519  35.833 -90.095
  438   2HO*    A  41          2HO*        A  41  87.205  35.694 -88.431
  439    H1*    A  41           H1*        A  41  86.992  36.780 -90.596
  440    H8     A  41           H8         A  41  90.000  39.138 -90.857
  441   1H6     A  41          1H6         A  41  91.046  38.455 -95.528
  442   2H6     A  41          2H6         A  41  90.458  37.324 -96.727
  443    H2     A  41           H2         A  41  87.345  34.794 -94.709
  444   1H5*    C  42          1H5*        C  42  90.885  33.021 -86.756
  445   2H5*    C  42          2H5*        C  42  89.553  33.487 -87.852
  446    H4*    C  42           H4*        C  42  90.793  31.401 -88.520
  447    H3*    C  42           H3*        C  42  93.034  33.388 -88.646
  448   1H2*    C  42          1H2*        C  42  93.824  32.585 -90.606
  449   2HO*    C  42          2HO*        C  42  92.364  30.192 -90.183
  450    H1*    C  42           H1*        C  42  91.497  31.689 -91.748
  451   1H4     C  42          1H4         C  42  93.179  36.811 -95.082
  452   2H4     C  42          2H4         C  42  93.089  37.828 -93.662
  453    H5     C  42           H5         C  42  92.529  36.993 -91.476
  454    H6     C  42           H6         C  42  91.960  34.995 -90.171
  455   1H5*    C  43          1H5*        C  43  96.254  29.508 -88.739
  456   2H5*    C  43          2H5*        C  43  94.689  29.752 -89.568
  457    H4*    C  43           H4*        C  43  96.588  29.173 -91.098
  458    H3*    C  43           H3*        C  43  97.652  31.717 -89.924
  459   1H2*    C  43          1H2*        C  43  98.427  32.484 -91.933
  460   2HO*    C  43          2HO*        C  43  98.837  31.064 -93.693
  461    H1*    C  43           H1*        C  43  96.538  31.254 -93.615
  462   1H4     C  43          1H4         C  43  95.334  37.492 -93.757
  463   2H4     C  43          2H4         C  43  94.890  37.490 -92.066
  464    H5     C  43           H5         C  43  95.026  35.532 -90.668
  465    H6     C  43           H6         C  43  95.585  33.143 -90.597
  466   1H5*    A  44          1H5*        A  44 102.376  28.834 -89.631
  467   2H5*    A  44          2H5*        A  44 101.077  28.768 -90.862
  468    H4*    A  44           H4*        A  44 103.258  28.941 -91.943
  469    H3*    A  44           H3*        A  44 103.711  30.919 -89.845
  470   1H2*    A  44          1H2*        A  44 103.741  32.762 -91.074
  471   2HO*    A  44          2HO*        A  44 105.334  32.934 -92.731
  472    H1*    A  44           H1*        A  44 103.539  31.533 -93.750
  473    H8     A  44           H8         A  44 100.655  32.689 -91.531
  474   1H6     A  44          1H6         A  44  99.727  36.917 -93.688
  475   2H6     A  44          2H6         A  44 100.531  37.811 -94.959
  476    H2     A  44           H2         A  44 104.102  35.380 -96.205
  477    H3T    A  44           H3T        A  44 105.082  29.134 -90.411
   
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  63.089  39.896-112.024
    2   2H5*    G   1          2H5*        G   1  63.505  41.119-110.800
    3    H4*    G   1           H4*        G   1  63.830  38.444-110.456
    4    H3*    G   1           H3*        G   1  61.007  39.113-109.817
    5   1H2*    G   1          1H2*        G   1  61.024  38.268-107.646
    6   2HO*    G   1          2HO*        G   1  62.514  36.799-106.941
    7    H1*    G   1           H1*        G   1  63.437  39.060-106.847
    8    H8     G   1           H8         G   1  62.363  41.848-109.042
    9    H1     G   1           H1         G   1  60.224  42.391-103.070
   10   1H2     G   1          1H2         G   1  60.895  38.991-102.811
   11   2H2     G   1          2H2         G   1  60.298  40.444-102.037
   12    H5T    G   1           H5T        G   1  60.964  40.001-111.318
   13   1H5*    G   2          1H5*        G   2  58.751  35.244-108.963
   14   2H5*    G   2          2H5*        G   2  60.410  35.768-108.719
   15    H4*    G   2           H4*        G   2  59.373  36.012-106.624
   16    H3*    G   2           H3*        G   2  57.078  37.225-108.161
   17   1H2*    G   2          1H2*        G   2  56.560  38.543-106.328
   18   2HO*    G   2          2HO*        G   2  57.463  37.985-104.216
   19    H1*    G   2           H1*        G   2  59.151  38.735-105.281
   20    H8     G   2           H8         G   2  59.008  40.198-108.711
   21    H1     G   2           H1         G   2  56.601  44.024-104.225
   22   1H2     G   2          1H2         G   2  56.488  41.132-102.283
   23   2H2     G   2          2H2         G   2  56.168  42.848-102.393
   24   1H5*    G   3          1H5*        G   3  53.844  34.058-104.993
   25   2H5*    G   3          2H5*        G   3  55.542  34.525-104.974
   26    H4*    G   3           H4*        G   3  54.579  35.419-102.981
   27    H3*    G   3           H3*        G   3  52.346  36.124-104.837
   28   1H2*    G   3          1H2*        G   3  51.931  38.157-103.859
   29   2HO*    G   3          2HO*        G   3  53.180  37.042-101.561
   30    H1*    G   3           H1*        G   3  54.471  38.710-102.874
   31    H8     G   3           H8         G   3  54.470  38.105-106.592
   32    H1     G   3           H1         G   3  52.954  44.067-104.933
   33   1H2     G   3          1H2         G   3  52.427  42.718-101.767
   34   2H2     G   3          2H2         G   3  52.399  44.138-102.788
   35   1H5*    A   4          1H5*        A   4  48.870  35.145-100.520
   36   2H5*    A   4          2H5*        A   4  50.616  35.247-100.349
   37    H4*    A   4           H4*        A   4  49.829  36.746 -98.724
   38    H3*    A   4           H3*        A   4  47.694  37.309-100.744
   39   1H2*    A   4          1H2*        A   4  47.507  39.538-100.207
   40   2HO*    A   4          2HO*        A   4  48.569  40.356 -98.257
   41    H1*    A   4           H1*        A   4  50.129  40.107 -99.724
   42    H8     A   4           H8         A   4  49.864  37.910-102.744
   43   1H6     A   4          1H6         A   4  49.327  43.089-106.019
   44   2H6     A   4          2H6         A   4  49.695  41.381-106.088
   45    H2     A   4           H2         A   4  48.648  44.092-101.686
   46   1H5*    G   5          1H5*        G   5  43.845  38.447 -97.701
   47   2H5*    G   5          2H5*        G   5  45.580  38.579 -97.460
   48    H4*    G   5           H4*        G   5  44.844  40.801 -97.710
   49    H3*    G   5           H3*        G   5  43.065  39.645 -99.828
   50   1H2*    G   5          1H2*        G   5  43.179  41.531-101.142
   51   2HO*    G   5          2HO*        G   5  43.783  42.821 -98.698
   52    H1*    G   5           H1*        G   5  45.751  42.381-100.432
   53    H8     G   5           H8         G   5  45.835  38.831-101.592
   54    H1     G   5           H1         G   5  45.864  43.008-106.400
   55   1H2     G   5          1H2         G   5  45.186  45.001-105.705
   56   2H2     G   5          2H2         G   5  44.736  45.303-104.038
   57   1H5*    C   6          1H5*        C   6  38.892  41.820 -98.685
   58   2H5*    C   6          2H5*        C   6  40.243  42.550 -99.603
   59    H4*    C   6           H4*        C   6  38.150  42.772-100.848
   60    H3*    C   6           H3*        C   6  37.976  39.836-100.279
   61   1H2*    C   6          1H2*        C   6  37.224  39.295-102.374
   62   2HO*    C   6          2HO*        C   6  36.553  42.044-102.730
   63    H1*    C   6           H1*        C   6  38.550  41.213-103.864
   64   1H4     C   6          1H4         C   6  41.478  35.637-104.781
   65   2H4     C   6          2H4         C   6  42.158  35.688-103.170
   66    H5     C   6           H5         C   6  41.652  37.423-101.581
   67    H6     C   6           H6         C   6  40.413  39.506-101.200
   68   1H5*    U   7          1H5*        U   7  32.762  39.684-100.154
   69   2H5*    U   7          2H5*        U   7  33.897  40.695-101.096
   70    H4*    U   7           H4*        U   7  32.792  39.316-102.683
   71    H3*    U   7           H3*        U   7  33.141  37.193-100.604
   72   1H2*    U   7          1H2*        U   7  33.607  35.530-102.116
   73   2HO*    U   7          2HO*        U   7  32.385  37.152-104.113
   74    H1*    U   7           H1*        U   7  34.719  37.102-104.172
   75    H3     U   7           H3         U   7  38.101  34.250-103.589
   76    H5     U   7           H5         U   7  37.816  36.124 -99.827
   77    H6     U   7           H6         U   7  35.851  37.294-100.622
   78   1H5*    C   8          1H5*        C   8  31.554  34.237-100.379
   79   2H5*    C   8          2H5*        C   8  29.849  33.812-100.037
   80    H4*    C   8           H4*        C   8  30.876  32.076-101.399
   81    H3*    C   8           H3*        C   8  31.983  34.379-102.807
   82   1H2*    C   8          1H2*        C   8  30.984  34.166-104.768
   83   2HO*    C   8          2HO*        C   8  31.521  31.371-104.608
   84    H1*    C   8           H1*        C   8  29.328  31.830-104.318
   85   1H4     C   8          1H4         C   8  25.530  35.896-107.308
   86   2H4     C   8          2H4         C   8  26.151  37.234-106.369
   87    H5     C   8           H5         C   8  27.862  36.968-104.686
   88    H6     C   8           H6         C   8  29.359  35.419-103.570
   89   1H5*    A   9          1H5*        A   9  34.984  30.794-105.149
   90   2H5*    A   9          2H5*        A   9  33.228  30.569-105.404
   91    H4*    A   9           H4*        A   9  34.558  30.179-107.463
   92    H3*    A   9           H3*        A   9  35.473  32.964-106.842
   93   1H2*    A   9          1H2*        A   9  35.359  33.657-109.026
   94   2HO*    A   9          2HO*        A   9  35.334  32.166-110.771
   95    H1*    A   9           H1*        A   9  33.213  32.128-109.883
   96    H8     A   9           H8         A   9  31.676  33.645-107.046
   97   1H6     A   9          1H6         A   9  32.006  39.222-109.628
   98   2H6     A   9          2H6         A   9  31.270  38.270-108.358
   99    H2     A   9           H2         A   9  34.730  36.467-111.908
  100   1H5*    A  10          1H5*        A  10  40.231  31.988-109.075
  101   2H5*    A  10          2H5*        A  10  38.602  31.311-109.370
  102    H4*    A  10           H4*        A  10  39.096  32.392-111.382
  103    H3*    A  10           H3*        A  10  40.489  34.401-109.651
  104   1H2*    A  10          1H2*        A  10  39.931  36.173-111.000
  105   2HO*    A  10          2HO*        A  10  40.652  35.212-112.948
  106    H1*    A  10           H1*        A  10  37.457  35.339-111.882
  107    H8     A  10           H8         A  10  37.504  34.984-108.168
  108   1H6     A  10          1H6         A  10  36.925  41.100-107.744
  109   2H6     A  10          2H6         A  10  36.829  39.588-106.870
  110    H2     A  10           H2         A  10  37.959  40.073-111.997
  111   1H5*    C  11          1H5*        C  11  43.980  35.628-113.298
  112   2H5*    C  11          2H5*        C  11  42.302  35.031-113.466
  113    H4*    C  11           H4*        C  11  42.390  37.249-114.396
  114    H3*    C  11           H3*        C  11  43.941  37.846-111.903
  115   1H2*    C  11          1H2*        C  11  42.967  39.894-111.577
  116   2HO*    C  11          2HO*        C  11  42.079  39.823-114.284
  117    H1*    C  11           H1*        C  11  40.447  39.386-112.586
  118   1H4     C  11          1H4         C  11  40.847  38.051-106.106
  119   2H4     C  11          2H4         C  11  39.933  39.535-106.258
  120    H5     C  11           H5         C  11  41.817  36.901-107.982
  121    H6     C  11           H6         C  11  42.148  36.938-110.409
  122   1H5*    U  12          1H5*        U  12  45.624  41.982-114.924
  123   2H5*    U  12          2H5*        U  12  44.041  41.165-115.070
  124    H4*    U  12           H4*        U  12  43.752  43.594-114.973
  125    H3*    U  12           H3*        U  12  45.471  43.282-112.545
  126   1H2*    U  12          1H2*        U  12  44.268  44.780-111.292
  127   2HO*    U  12          2HO*        U  12  43.189  45.780-113.733
  128    H1*    U  12           H1*        U  12  41.738  44.376-112.428
  129    H3     U  12           H3         U  12  40.583  43.017-108.339
  130    H5     U  12           H5         U  12  44.103  40.816-109.068
  131    H6     U  12           H6         U  12  44.281  41.938-111.215
  132   1H5*    C  13          1H5*        C  13  47.389  48.157-113.146
  133   2H5*    C  13          2H5*        C  13  45.886  47.367-113.605
  134    H4*    C  13           H4*        C  13  45.371  49.057-111.971
  135    H3*    C  13           H3*        C  13  47.720  47.857-110.551
  136   1H2*    C  13          1H2*        C  13  46.748  48.085-108.448
  137   2HO*    C  13          2HO*        C  13  45.022  49.894-109.772
  138    H1*    C  13           H1*        C  13  44.274  47.317-109.031
  139   1H4     C  13          1H4         C  13  46.773  41.733-107.493
  140   2H4     C  13          2H4         C  13  47.312  41.527-109.144
  141    H5     C  13           H5         C  13  47.295  43.307-110.767
  142    H6     C  13           H6         C  13  46.601  45.614-111.203
  143   1H5*    U  14          1H5*        U  14  49.434  51.981-108.070
  144   2H5*    U  14          2H5*        U  14  47.766  51.681-108.541
  145    H4*    U  14           H4*        U  14  47.699  51.589-106.208
  146    H3*    U  14           H3*        U  14  50.367  50.223-106.451
  147   1H2*    U  14          1H2*        U  14  49.977  48.938-104.561
  148   2HO*    U  14          2HO*        U  14  48.158  49.469-103.153
  149    H1*    U  14           H1*        U  14  47.268  48.550-104.877
  150    H3     U  14           H3         U  14  49.184  44.456-104.963
  151    H5     U  14           H5         U  14  49.631  45.956-108.874
  152    H6     U  14           H6         U  14  48.964  48.129-108.049
  153   1H5*    C  15          1H5*        C  15  51.683  52.569-101.908
  154   2H5*    C  15          2H5*        C  15  50.264  52.277-102.910
  155    H4*    C  15           H4*        C  15  50.186  50.738-101.078
  156    H3*    C  15           H3*        C  15  53.071  50.293-101.784
  157   1H2*    C  15          1H2*        C  15  52.958  48.045-101.286
  158   2HO*    C  15          2HO*        C  15  51.153  47.197-100.057
  159    H1*    C  15           H1*        C  15  50.351  47.576-102.026
  160   1H4     C  15          1H4         C  15  53.540  44.753-106.646
  161   2H4     C  15          2H4         C  15  53.554  46.258-107.541
  162    H5     C  15           H5         C  15  52.950  48.383-106.560
  163    H6     C  15           H6         C  15  52.018  49.484-104.581
  164   1H5*    C  16          1H5*        C  16  54.257  49.061 -96.928
  165   2H5*    C  16          2H5*        C  16  52.797  49.176 -97.904
  166    H4*    C  16           H4*        C  16  53.253  46.856 -97.607
  167    H3*    C  16           H3*        C  16  56.062  47.639 -98.346
  168   1H2*    C  16          1H2*        C  16  56.401  45.626 -99.403
  169   2HO*    C  16          2HO*        C  16  54.275  44.680 -97.782
  170    H1*    C  16           H1*        C  16  53.806  45.137-100.195
  171   1H4     C  16          1H4         C  16  56.761  47.611-105.464
  172   2H4     C  16          2H4         C  16  57.025  45.880-105.544
  173    H5     C  16           H5         C  16  55.856  48.724-103.510
  174    H6     C  16           H6         C  16  54.924  48.386-101.260
  175   1H5*    C  17          1H5*        C  17  58.197  44.180 -94.724
  176   2H5*    C  17          2H5*        C  17  56.534  44.215 -95.290
  177    H4*    C  17           H4*        C  17  57.257  42.094 -95.935
  178    H3*    C  17           H3*        C  17  59.878  43.460 -96.427
  179   1H2*    C  17          1H2*        C  17  60.429  42.085 -98.186
  180   2HO*    C  17          2HO*        C  17  58.662  40.275 -96.919
  181    H1*    C  17           H1*        C  17  57.843  41.524 -99.109
  182   1H4     C  17          1H4         C  17  59.625  46.582-102.820
  183   2H4     C  17          2H4         C  17  60.161  45.162-103.692
  184    H5     C  17           H5         C  17  58.860  46.515-100.534
  185    H6     C  17           H6         C  17  58.306  45.053 -98.646
  186   1H5*    C  18          1H5*        C  18  62.247  39.023 -95.098
  187   2H5*    C  18          2H5*        C  18  60.670  39.637 -95.580
  188    H4*    C  18           H4*        C  18  61.625  38.580 -97.496
  189    H3*    C  18           H3*        C  18  64.090  40.088 -96.680
  190   1H2*    C  18          1H2*        C  18  64.705  40.506 -98.857
  191   2HO*    C  18          2HO*        C  18  63.162  38.201 -99.414
  192    H1*    C  18           H1*        C  18  62.154  40.554-100.017
  193   1H4     C  18          1H4         C  18  64.064  46.534-100.492
  194   2H4     C  18          2H4         C  18  63.361  46.863 -98.924
  195    H5     C  18           H5         C  18  62.631  45.130 -97.419
  196    H6     C  18           H6         C  18  62.237  42.722 -97.168
  197   1H5*    C  19          1H5*        C  19  66.443  35.543 -98.838
  198   2H5*    C  19          2H5*        C  19  64.836  36.258 -98.816
  199    H4*    C  19           H4*        C  19  65.470  36.059-101.110
  200    H3*    C  19           H3*        C  19  68.096  37.104-100.108
  201   1H2*    C  19          1H2*        C  19  68.475  38.400-101.987
  202   2HO*    C  19          2HO*        C  19  67.068  38.128-103.875
  203    H1*    C  19           H1*        C  19  65.949  39.241-102.465
  204   1H4     C  19          1H4         C  19  68.269  44.185 -99.315
  205   2H4     C  19          2H4         C  19  67.820  43.426 -97.802
  206    H5     C  19           H5         C  19  67.119  41.122 -97.636
  207    H6     C  19           H6         C  19  66.533  39.107 -98.903
  208   1H5*    C  20          1H5*        C  20  70.912  34.205-103.458
  209   2H5*    C  20          2H5*        C  20  69.248  34.782-103.409
  210    H4*    C  20           H4*        C  20  70.456  36.104-105.020
  211    H3*    C  20           H3*        C  20  72.462  36.226-102.819
  212   1H2*    C  20          1H2*        C  20  73.019  38.398-103.173
  213   2HO*    C  20          2HO*        C  20  72.375  39.438-105.221
  214    H1*    C  20           H1*        C  20  70.600  39.327-104.109
  215   1H4     C  20          1H4         C  20  70.923  41.929 -98.410
  216   2H4     C  20          2H4         C  20  70.141  40.509 -97.748
  217    H5     C  20           H5         C  20  69.885  38.452 -98.995
  218    H6     C  20           H6         C  20  70.103  37.402-101.204
  219   1H5*    C  21          1H5*        C  21  76.310  36.233-105.724
  220   2H5*    C  21          2H5*        C  21  74.970  37.347-105.324
  221    H4*    C  21           H4*        C  21  77.125  38.455-105.035
  222    H3*    C  21           H3*        C  21  77.707  36.025-103.385
  223   1H2*    C  21          1H2*        C  21  78.814  37.226-101.763
  224   2HO*    C  21          2HO*        C  21  79.871  39.128-102.189
  225    H1*    C  21           H1*        C  21  77.471  39.694-102.095
  226   1H4     C  21          1H4         C  21  76.368  37.072 -96.339
  227   2H4     C  21          2H4         C  21  74.695  36.978 -96.842
  228    H5     C  21           H5         C  21  73.972  37.430 -99.086
  229    H6     C  21           H6         C  21  74.664  38.105-101.337
  230   1H5*    U  22          1H5*        U  22  80.599  38.114-106.010
  231   2H5*    U  22          2H5*        U  22  82.019  38.865-105.224
  232    H4*    U  22           H4*        U  22  83.504  37.310-106.449
  233    H3*    U  22           H3*        U  22  82.143  39.515-107.485
  234   1H2*    U  22          1H2*        U  22  80.622  38.492-108.826
  235   2HO*    U  22          2HO*        U  22  81.484  38.086-110.913
  236    H1*    U  22           H1*        U  22  82.268  36.087-109.445
  237    H3     U  22           H3         U  22  77.925  36.140-111.367
  238    H5     U  22           H5         U  22  77.799  34.159-107.650
  239    H6     U  22           H6         U  22  80.026  35.003-107.197
  240   1H5*    U  23          1H5*        U  23  85.865  37.366-108.157
  241   2H5*    U  23          2H5*        U  23  87.060  38.472-108.898
  242    H4*    U  23           H4*        U  23  88.044  36.508-107.647
  243    H3*    U  23           H3*        U  23  86.556  37.859-105.452
  244   1H2*    U  23          1H2*        U  23  88.258  37.777-103.960
  245   2HO*    U  23          2HO*        U  23  89.915  36.210-104.088
  246    H1*    U  23           H1*        U  23  90.432  37.739-105.700
  247    H3     U  23           H3         U  23  91.479  41.305-103.186
  248    H5     U  23           H5         U  23  87.828  42.417-104.974
  249    H6     U  23           H6         U  23  87.701  40.191-105.940
  250   1H5*    U  24          1H5*        U  24  85.672  32.550-104.251
  251   2H5*    U  24          2H5*        U  24  87.047  33.464-104.936
  252    H4*    U  24           H4*        U  24  87.656  31.858-103.097
  253    H3*    U  24           H3*        U  24  85.845  33.717-101.590
  254   1H2*    U  24          1H2*        U  24  87.177  33.659 -99.732
  255   2HO*    U  24          2HO*        U  24  87.314  31.339 -99.688
  256    H1*    U  24           H1*        U  24  89.627  33.392-101.011
  257    H3     U  24           H3         U  24  89.571  37.037 -98.250
  258    H5     U  24           H5         U  24  87.551  38.273-101.731
  259    H6     U  24           H6         U  24  87.689  35.979-102.550
  260   1H5*    U  25          1H5*        U  25  83.292  30.281 -98.656
  261   2H5*    U  25          2H5*        U  25  84.922  30.109 -99.289
  262    H4*    U  25           H4*        U  25  85.094  30.227 -96.914
  263    H3*    U  25           H3*        U  25  83.319  32.646 -97.191
  264   1H2*    U  25          1H2*        U  25  84.280  33.512 -95.229
  265   2HO*    U  25          2HO*        U  25  85.139  30.844 -94.836
  266    H1*    U  25           H1*        U  25  86.809  32.677 -95.749
  267    H3     U  25           H3         U  25  86.807  37.221 -95.529
  268    H5     U  25           H5         U  25  85.766  36.272 -99.498
  269    H6     U  25           H6         U  25  85.496  33.959 -98.811
  270   1H5*    C  26          1H5*        C  26  79.931  31.930 -93.412
  271   2H5*    C  26          2H5*        C  26  81.548  31.256 -93.569
  272    H4*    C  26           H4*        C  26  81.627  32.881 -91.820
  273    H3*    C  26           H3*        C  26  80.085  34.560 -93.774
  274   1H2*    C  26          1H2*        C  26  81.096  36.514 -93.037
  275   2HO*    C  26          2HO*        C  26  82.387  36.507 -91.092
  276    H1*    C  26           H1*        C  26  83.615  35.540 -92.633
  277   1H4     C  26          1H4         C  26  84.242  38.316 -98.242
  278   2H4     C  26          2H4         C  26  83.739  36.833 -99.026
  279    H5     C  26           H5         C  26  82.748  34.977 -97.837
  280    H6     C  26           H6         C  26  82.194  34.077 -95.626
  281   1H5*    C  27          1H5*        C  27  77.091  36.904 -90.273
  282   2H5*    C  27          2H5*        C  27  78.618  36.036 -90.175
  283    H4*    C  27           H4*        C  27  79.136  38.348 -89.972
  284    H3*    C  27           H3*        C  27  77.295  38.676 -92.339
  285   1H2*    C  27          1H2*        C  27  78.530  40.468 -93.098
  286   2HO*    C  27          2HO*        C  27  79.449  40.632 -90.413
  287    H1*    C  27           H1*        C  27  81.029  39.594 -92.179
  288   1H4     C  27          1H4         C  27  81.394  39.180 -98.461
  289   2H4     C  27          2H4         C  27  80.816  37.531 -98.370
  290    H5     C  27           H5         C  27  79.864  36.577 -96.363
  291    H6     C  27           H6         C  27  79.434  36.945 -93.978
  292   1H5*    G  28          1H5*        G  28  74.928  43.089 -90.469
  293   2H5*    G  28          2H5*        G  28  76.452  42.360 -89.981
  294    H4*    G  28           H4*        G  28  77.039  44.437 -90.940
  295    H3*    G  28           H3*        G  28  74.925  43.743 -92.952
  296   1H2*    G  28          1H2*        G  28  76.061  44.712 -94.700
  297   2HO*    G  28          2HO*        G  28  77.439  46.154 -92.672
  298    H1*    G  28           H1*        G  28  78.657  44.204 -93.879
  299    H8     G  28           H8         G  28  76.587  41.064 -93.750
  300    H1     G  28           H1         G  28  78.818  42.411 -99.561
  301   1H2     G  28          1H2         G  28  79.383  45.597 -98.275
  302   2H2     G  28          2H2         G  28  79.478  44.525 -99.654
  303   1H5*    A  29          1H5*        A  29  74.105  48.995 -93.571
  304   2H5*    A  29          2H5*        A  29  75.419  48.058 -92.874
  305    H4*    A  29           H4*        A  29  76.393  49.164 -94.704
  306    H3*    A  29           H3*        A  29  73.826  48.486 -96.126
  307   1H2*    A  29          1H2*        A  29  74.927  48.407 -98.170
  308   2HO*    A  29          2HO*        A  29  77.087  49.260 -98.376
  309    H1*    A  29           H1*        A  29  77.331  47.370 -97.250
  310    H8     A  29           H8         A  29  74.500  45.279 -95.954
  311   1H6     A  29          1H6         A  29  74.961  42.078-101.203
  312   2H6     A  29          2H6         A  29  74.371  42.053 -99.554
  313    H2     A  29           H2         A  29  77.149  45.967-101.740
  314   1H5*    G  30          1H5*        G  30  73.407  52.259 -99.201
  315   2H5*    G  30          2H5*        G  30  74.794  51.544 -98.389
  316    H4*    G  30           H4*        G  30  74.860  50.895-100.704
  317    H3*    G  30           H3*        G  30  71.973  50.217-100.204
  318   1H2*    G  30          1H2*        G  30  72.070  48.399-101.658
  319   2HO*    G  30          2HO*        G  30  74.148  48.121-102.894
  320    H1*    G  30           H1*        G  30  74.552  47.486-101.017
  321    H8     G  30           H8         G  30  72.573  48.429 -97.888
  322    H1     G  30           H1         G  30  71.456  42.573-100.122
  323   1H2     G  30          1H2         G  30  72.995  43.743-103.017
  324   2H2     G  30          2H2         G  30  72.204  42.413-102.202
  325   1H5*    G  31          1H5*        G  31  70.557  52.407-105.053
  326   2H5*    G  31          2H5*        G  31  72.139  51.874-104.485
  327    H4*    G  31           H4*        G  31  71.578  50.517-106.391
  328    H3*    G  31           H3*        G  31  68.918  50.444-105.027
  329   1H2*    G  31          1H2*        G  31  68.509  48.222-105.505
  330   2HO*    G  31          2HO*        G  31  70.583  48.496-107.448
  331    H1*    G  31           H1*        G  31  71.034  47.226-105.210
  332    H8     G  31           H8         G  31  70.234  49.742-102.497
  333    H1     G  31           H1         G  31  68.240  43.831-101.191
  334   1H2     G  31          1H2         G  31  68.724  43.241-104.585
  335   2H2     G  31          2H2         G  31  68.218  42.608-103.033
  336   1H5*    G  32          1H5*        G  32  67.237  48.771-109.923
  337   2H5*    G  32          2H5*        G  32  68.840  48.952-109.226
  338    H4*    G  32           H4*        G  32  68.775  46.672-109.599
  339    H3*    G  32           H3*        G  32  65.835  47.004-109.149
  340   1H2*    G  32          1H2*        G  32  65.536  44.958-108.159
  341   2HO*    G  32          2HO*        G  32  67.188  43.302-108.345
  342    H1*    G  32           H1*        G  32  67.936  44.706-106.832
  343    H8     G  32           H8         G  32  66.495  48.153-106.441
  344    H1     G  32           H1         G  32  64.409  44.068-102.036
  345   1H2     G  32          1H2         G  32  65.507  41.590-104.206
  346   2H2     G  32          2H2         G  32  64.737  41.991-102.682
  347   1H5*    U  33          1H5*        U  33  64.259  43.139-111.070
  348   2H5*    U  33          2H5*        U  33  63.247  44.355-111.912
  349    H4*    U  33           H4*        U  33  63.015  42.096-112.905
  350    H3*    U  33           H3*        U  33  65.775  41.905-112.510
  351   1H2*    U  33          1H2*        U  33  66.542  43.058-114.314
  352   2HO*    U  33          2HO*        U  33  66.690  41.702-116.177
  353    H1*    U  33           H1*        U  33  64.237  42.465-116.106
  354    H3     U  33           H3         U  33  65.850  45.548-118.910
  355    H5     U  33           H5         U  33  66.359  47.371-115.143
  356    H6     U  33           H6         U  33  65.489  45.350-114.120
  357   1H5*    C  34          1H5*        C  34  67.388  37.434-113.542
  358   2H5*    C  34          2H5*        C  34  67.178  38.463-114.993
  359    H4*    C  34           H4*        C  34  69.558  37.812-114.618
  360    H3*    C  34           H3*        C  34  68.928  39.034-111.977
  361   1H2*    C  34          1H2*        C  34  70.856  40.265-111.816
  362   2HO*    C  34          2HO*        C  34  72.724  39.729-113.050
  363    H1*    C  34           H1*        C  34  71.297  40.782-114.522
  364   1H4     C  34          1H4         C  34  67.777  45.323-111.211
  365   2H4     C  34          2H4         C  34  69.122  46.161-111.953
  366    H5     C  34           H5         C  34  67.407  42.939-111.457
  367    H6     C  34           H6         C  34  68.215  40.896-112.475
  368   1H5*    A  35          1H5*        A  35  73.278  37.021-110.895
  369   2H5*    A  35          2H5*        A  35  72.196  37.902-112.008
  370    H4*    A  35           H4*        A  35  73.809  39.490-111.584
  371    H3*    A  35           H3*        A  35  74.444  37.906-109.349
  372   1H2*    A  35          1H2*        A  35  73.333  38.997-107.727
  373   2HO*    A  35          2HO*        A  35  75.273  41.015-108.317
  374    H1*    A  35           H1*        A  35  73.231  41.654-109.052
  375    H8     A  35           H8         A  35  70.176  39.976-109.370
  376   1H6     A  35          1H6         A  35  67.870  40.964-105.275
  377   2H6     A  35          2H6         A  35  68.401  41.557-103.719
  378    H2     A  35           H2         A  35  72.850  42.163-103.998
  379   1H5*    U  36          1H5*        U  36  79.142  40.946-109.974
  380   2H5*    U  36          2H5*        U  36  77.466  41.185-110.443
  381    H4*    U  36           H4*        U  36  78.164  43.251-109.552
  382    H3*    U  36           H3*        U  36  79.481  41.566-107.439
  383   1H2*    U  36          1H2*        U  36  79.183  43.202-105.849
  384   2HO*    U  36          2HO*        U  36  78.735  45.387-106.438
  385    H1*    U  36           H1*        U  36  76.799  44.268-106.829
  386    H3     U  36           H3         U  36  76.219  43.106-102.480
  387    H5     U  36           H5         U  36  75.478  39.641-104.752
  388    H6     U  36           H6         U  36  76.418  40.754-106.670
  389   1H5*    C  37          1H5*        C  37  83.301  45.090-107.254
  390   2H5*    C  37          2H5*        C  37  81.657  44.935-107.857
  391    H4*    C  37           H4*        C  37  81.576  46.368-105.959
  392    H3*    C  37           H3*        C  37  83.201  44.221-104.591
  393   1H2*    C  37          1H2*        C  37  82.249  44.827-102.570
  394   2HO*    C  37          2HO*        C  37  81.684  47.284-103.881
  395    H1*    C  37           H1*        C  37  79.764  45.598-103.605
  396   1H4     C  37          1H4         C  37  78.813  40.506-100.006
  397   2H4     C  37          2H4         C  37  78.970  39.492-101.423
  398    H5     C  37           H5         C  37  79.791  40.309-103.546
  399    H6     C  37           H6         C  37  80.451  42.307-104.798
  400   1H5*    G  38          1H5*        G  38  86.663  47.588-102.182
  401   2H5*    G  38          2H5*        G  38  85.132  48.101-102.876
  402    H4*    G  38           H4*        G  38  84.887  48.676-100.635
  403    H3*    G  38           H3*        G  38  86.509  46.204-100.127
  404   1H2*    G  38          1H2*        G  38  85.467  45.757 -98.121
  405   2HO*    G  38          2HO*        G  38  84.073  47.424 -97.151
  406    H1*    G  38           H1*        G  38  82.926  46.624 -98.749
  407    H8     G  38           H8         G  38  84.340  44.433-101.486
  408    H1     G  38           H1         G  38  81.741  41.165 -96.672
  409   1H2     G  38          1H2         G  38  82.008  44.150 -94.902
  410   2H2     G  38          2H2         G  38  81.534  42.465 -94.893
  411   1H5*    G  39          1H5*        G  39  89.078  47.933 -96.071
  412   2H5*    G  39          2H5*        G  39  87.674  48.514 -96.960
  413    H4*    G  39           H4*        G  39  86.712  47.363 -95.178
  414    H3*    G  39           H3*        G  39  89.073  45.548 -95.446
  415   1H2*    G  39          1H2*        G  39  87.815  43.621 -95.017
  416   2HO*    G  39          2HO*        G  39  86.616  45.389 -93.276
  417    H1*    G  39           H1*        G  39  85.252  44.654 -95.515
  418    H8     G  39           H8         G  39  87.029  44.385 -98.770
  419    H1     G  39           H1         G  39  84.483  38.941 -96.651
  420   1H2     G  39          1H2         G  39  84.112  39.088 -94.472
  421   2H2     G  39          2H2         G  39  84.488  40.530 -93.555
  422   1H5*    A  40          1H5*        A  40  91.168  45.005 -91.294
  423   2H5*    A  40          2H5*        A  40  90.576  45.804 -89.838
  424    H4*    A  40           H4*        A  40  89.969  43.794 -89.002
  425    H3*    A  40           H3*        A  40  90.934  42.818 -91.716
  426   1H2*    A  40          1H2*        A  40  90.134  40.658 -91.164
  427   2HO*    A  40          2HO*        A  40  89.133  40.272 -89.136
  428    H1*    A  40           H1*        A  40  87.699  41.515 -90.551
  429    H8     A  40           H8         A  40  89.149  43.817 -93.131
  430   1H6     A  40          1H6         A  40  87.433  39.578 -97.307
  431   2H6     A  40          2H6         A  40  87.861  41.260 -97.072
  432    H2     A  40           H2         A  40  87.282  37.670 -93.241
  433   1H5*    A  41          1H5*        A  41  92.532  39.596 -88.061
  434   2H5*    A  41          2H5*        A  41  91.320  40.795 -88.596
  435    H4*    A  41           H4*        A  41  90.126  38.801 -88.042
  436    H3*    A  41           H3*        A  41  92.351  37.478 -89.535
  437   1H2*    A  41          1H2*        A  41  90.995  35.902 -90.504
  438   2HO*    A  41          2HO*        A  41  89.040  36.491 -88.514
  439    H1*    A  41           H1*        A  41  88.645  37.384 -90.665
  440    H8     A  41           H8         A  41  91.329  39.321 -92.346
  441   1H6     A  41          1H6         A  41  91.571  37.008 -96.575
  442   2H6     A  41          2H6         A  41  90.928  35.481 -97.138
  443    H2     A  41           H2         A  41  88.643  33.693 -93.706
  444   1H5*    C  42          1H5*        C  42  92.451  33.222 -87.440
  445   2H5*    C  42          2H5*        C  42  91.123  33.869 -88.446
  446    H4*    C  42           H4*        C  42  92.113  31.648 -89.187
  447    H3*    C  42           H3*        C  42  94.472  33.456 -89.513
  448   1H2*    C  42          1H2*        C  42  94.994  32.661 -91.584
  449   2HO*    C  42          2HO*        C  42  94.389  30.577 -92.274
  450    H1*    C  42           H1*        C  42  92.505  31.813 -92.413
  451   1H4     C  42          1H4         C  42  93.980  36.580 -96.303
  452   2H4     C  42          2H4         C  42  94.172  37.691 -94.965
  453    H5     C  42           H5         C  42  93.910  37.042 -92.665
  454    H6     C  42           H6         C  42  93.394  35.194 -91.139
  455   1H5*    C  43          1H5*        C  43  96.760  28.875 -89.771
  456   2H5*    C  43          2H5*        C  43  95.261  29.656 -90.357
  457    H4*    C  43           H4*        C  43  96.544  28.472 -92.150
  458    H3*    C  43           H3*        C  43  98.637  30.380 -91.188
  459   1H2*    C  43          1H2*        C  43  99.339  30.968 -93.279
  460   2HO*    C  43          2HO*        C  43  97.991  28.669 -94.299
  461    H1*    C  43           H1*        C  43  96.924  30.813 -94.639
  462   1H4     C  43          1H4         C  43  98.237  36.964 -93.617
  463   2H4     C  43          2H4         C  43  97.827  36.800 -91.924
  464    H5     C  43           H5         C  43  97.236  34.702 -90.906
  465    H6     C  43           H6         C  43  96.855  32.293 -91.309
  466   1H5*    A  44          1H5*        A  44 100.255  24.737 -90.743
  467   2H5*    A  44          2H5*        A  44  99.020  25.725 -91.581
  468    H4*    A  44           H4*        A  44 100.360  24.466 -93.196
  469    H3*    A  44           H3*        A  44 102.550  25.381 -91.492
  470   1H2*    A  44          1H2*        A  44 103.516  26.820 -92.881
  471   2HO*    A  44          2HO*        A  44 103.380  24.719 -94.811
  472    H1*    A  44           H1*        A  44 101.855  26.311 -95.270
  473    H8     A  44           H8         A  44 100.711  29.012 -92.982
  474   1H6     A  44          1H6         A  44 103.049  32.793 -94.875
  475   2H6     A  44          2H6         A  44 104.324  32.936 -96.065
  476    H2     A  44           H2         A  44 105.356  28.763 -97.379
  477    H3T    A  44           H3T        A  44 102.407  23.585 -93.706
   
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  63.157  38.100-110.413
    2   2H5*    G   1          2H5*        G   1  63.607  39.338-109.215
    3    H4*    G   1           H4*        G   1  63.720  36.660-108.766
    4    H3*    G   1           H3*        G   1  60.932  37.564-108.256
    5   1H2*    G   1          1H2*        G   1  60.812  36.758-106.069
    6   2HO*    G   1          2HO*        G   1  62.800  35.053-107.000
    7    H1*    G   1           H1*        G   1  63.250  37.402-105.207
    8    H8     G   1           H8         G   1  62.457  40.218-107.473
    9    H1     G   1           H1         G   1  60.087  41.001-101.617
   10   1H2     G   1          1H2         G   1  60.529  37.573-101.271
   11   2H2     G   1          2H2         G   1  59.994  39.076-100.547
   12    H5T    G   1           H5T        G   1  61.395  39.379-108.580
   13   1H5*    G   2          1H5*        G   2  58.269  33.912-107.582
   14   2H5*    G   2          2H5*        G   2  59.951  34.268-107.215
   15    H4*    G   2           H4*        G   2  58.784  34.605-105.198
   16    H3*    G   2           H3*        G   2  56.759  36.068-106.887
   17   1H2*    G   2          1H2*        G   2  56.251  37.428-105.083
   18   2HO*    G   2          2HO*        G   2  57.351  35.335-103.499
   19    H1*    G   2           H1*        G   2  58.763  37.341-103.847
   20    H8     G   2           H8         G   2  59.003  38.792-107.288
   21    H1     G   2           H1         G   2  56.774  42.892-102.956
   22   1H2     G   2          1H2         G   2  56.225  40.048-101.021
   23   2H2     G   2          2H2         G   2  56.104  41.788-101.153
   24   1H5*    G   3          1H5*        G   3  52.949  33.359-103.971
   25   2H5*    G   3          2H5*        G   3  54.688  33.607-103.837
   26    H4*    G   3           H4*        G   3  53.726  34.669-101.936
   27    H3*    G   3           H3*        G   3  51.711  35.595-103.940
   28   1H2*    G   3          1H2*        G   3  51.492  37.685-103.021
   29   2HO*    G   3          2HO*        G   3  52.441  36.469-100.633
   30    H1*    G   3           H1*        G   3  54.017  37.943-101.884
   31    H8     G   3           H8         G   3  54.172  37.279-105.587
   32    H1     G   3           H1         G   3  53.256  43.401-104.076
   33   1H2     G   3          1H2         G   3  52.375  42.167-100.942
   34   2H2     G   3          2H2         G   3  52.576  43.566-101.973
   35   1H5*    A   4          1H5*        A   4  47.950  35.201 -99.778
   36   2H5*    A   4          2H5*        A   4  49.691  35.091 -99.560
   37    H4*    A   4           H4*        A   4  49.055  36.736 -98.014
   38    H3*    A   4           H3*        A   4  47.063  37.505-100.117
   39   1H2*    A   4          1H2*        A   4  47.158  39.755 -99.639
   40   2HO*    A   4          2HO*        A   4  48.253  40.488 -97.684
   41    H1*    A   4           H1*        A   4  49.821  39.990 -99.102
   42    H8     A   4           H8         A   4  49.343  37.751-102.063
   43   1H6     A   4          1H6         A   4  49.554  42.852-105.499
   44   2H6     A   4          2H6         A   4  49.703  41.109-105.510
   45    H2     A   4           H2         A   4  48.917  44.071-101.218
   46   1H5*    G   5          1H5*        G   5  43.410  39.262 -97.125
   47   2H5*    G   5          2H5*        G   5  45.152  39.144 -96.915
   48    H4*    G   5           H4*        G   5  44.721  41.447 -97.211
   49    H3*    G   5           H3*        G   5  42.802  40.494 -99.306
   50   1H2*    G   5          1H2*        G   5  43.167  42.326-100.652
   51   2HO*    G   5          2HO*        G   5  43.974  43.566 -98.233
   52    H1*    G   5           H1*        G   5  45.831  42.836 -99.930
   53    H8     G   5           H8         G   5  45.459  39.299-101.083
   54    H1     G   5           H1         G   5  46.072  43.434-105.896
   55   1H2     G   5          1H2         G   5  45.678  45.502-105.203
   56   2H2     G   5          2H2         G   5  45.268  45.864-103.538
   57   1H5*    C   6          1H5*        C   6  38.383  42.073 -98.120
   58   2H5*    C   6          2H5*        C   6  39.194  43.348 -99.074
   59    H4*    C   6           H4*        C   6  37.108  42.484-100.137
   60    H3*    C   6           H3*        C   6  38.649  39.920 -99.944
   61   1H2*    C   6          1H2*        C   6  38.064  39.239-102.050
   62   2HO*    C   6          2HO*        C   6  36.215  40.056-103.121
   63    H1*    C   6           H1*        C   6  37.791  41.750-103.270
   64   1H4     C   6          1H4         C   6  43.009  39.224-105.835
   65   2H4     C   6          2H4         C   6  43.645  38.789-104.264
   66    H5     C   6           H5         C   6  42.494  39.247-102.205
   67    H6     C   6           H6         C   6  40.501  40.247-101.190
   68   1H5*    U   7          1H5*        U   7  34.185  37.389-100.340
   69   2H5*    U   7          2H5*        U   7  34.868  38.867-101.080
   70    H4*    U   7           H4*        U   7  34.305  37.414-102.879
   71    H3*    U   7           H3*        U   7  35.506  35.303-101.128
   72   1H2*    U   7          1H2*        U   7  36.498  34.184-102.879
   73   2HO*    U   7          2HO*        U   7  34.510  34.023-104.043
   74    H1*    U   7           H1*        U   7  36.824  36.353-104.649
   75    H3     U   7           H3         U   7  41.017  34.834-104.542
   76    H5     U   7           H5         U   7  40.290  35.811-100.511
   77    H6     U   7           H6         U   7  38.018  36.375-101.115
   78   1H5*    C   8          1H5*        C   8  34.645  31.614-100.886
   79   2H5*    C   8          2H5*        C   8  33.075  30.816-101.202
   80    H4*    C   8           H4*        C   8  34.966  29.627-102.264
   81    H3*    C   8           H3*        C   8  35.760  32.275-102.969
   82   1H2*    C   8          1H2*        C   8  34.925  32.449-105.034
   83   2HO*    C   8          2HO*        C   8  36.556  30.166-105.565
   84    H1*    C   8           H1*        C   8  34.399  29.591-105.549
   85   1H4     C   8          1H4         C   8  29.944  32.440-108.997
   86   2H4     C   8          2H4         C   8  29.651  33.610-107.731
   87    H5     C   8           H5         C   8  30.883  33.624-105.651
   88    H6     C   8           H6         C   8  32.637  32.566-104.349
   89   1H5*    A   9          1H5*        A   9  40.248  30.318-105.338
   90   2H5*    A   9          2H5*        A   9  38.819  29.304-105.692
   91    H4*    A   9           H4*        A   9  40.140  29.773-107.724
   92    H3*    A   9           H3*        A   9  39.735  32.589-106.801
   93   1H2*    A   9          1H2*        A   9  39.250  33.393-108.893
   94   2HO*    A   9          2HO*        A   9  41.162  32.490-109.834
   95    H1*    A   9           H1*        A   9  38.100  31.106-110.018
   96    H8     A   9           H8         A   9  36.070  31.545-107.074
   97   1H6     A   9          1H6         A   9  33.431  36.540-109.504
   98   2H6     A   9          2H6         A   9  33.334  35.338-108.237
   99    H2     A   9           H2         A   9  37.070  35.568-111.950
  100   1H5*    A  10          1H5*        A  10  44.080  34.033-109.561
  101   2H5*    A  10          2H5*        A  10  42.975  32.626-109.662
  102    H4*    A  10           H4*        A  10  42.463  33.752-111.635
  103    H3*    A  10           H3*        A  10  43.184  36.220-110.097
  104   1H2*    A  10          1H2*        A  10  41.577  37.535-111.046
  105   2HO*    A  10          2HO*        A  10  40.538  36.965-113.007
  106    H1*    A  10           H1*        A  10  39.549  35.740-111.331
  107    H8     A  10           H8         A  10  40.975  35.201-107.915
  108   1H6     A  10          1H6         A  10  38.030  40.266-106.062
  109   2H6     A  10          2H6         A  10  38.898  38.839-105.542
  110    H2     A  10           H2         A  10  37.879  40.122-110.551
  111   1H5*    C  11          1H5*        C  11  44.045  38.312-114.730
  112   2H5*    C  11          2H5*        C  11  43.167  36.968-113.940
  113    H4*    C  11           H4*        C  11  41.510  38.536-114.643
  114    H3*    C  11           H3*        C  11  43.468  40.534-113.643
  115   1H2*    C  11          1H2*        C  11  41.961  41.901-112.663
  116   2HO*    C  11          2HO*        C  11  40.708  42.115-114.571
  117    H1*    C  11           H1*        C  11  39.959  40.099-112.094
  118   1H4     C  11          1H4         C  11  43.672  40.601-106.658
  119   2H4     C  11          2H4         C  11  42.202  41.496-106.344
  120    H5     C  11           H5         C  11  44.166  39.583-108.784
  121    H6     C  11           H6         C  11  43.348  39.197-111.061
  122   1H5*    U  12          1H5*        U  12  45.460  43.279-114.801
  123   2H5*    U  12          2H5*        U  12  44.451  43.744-116.220
  124    H4*    U  12           H4*        U  12  44.568  45.839-115.304
  125    H3*    U  12           H3*        U  12  45.308  44.399-112.761
  126   1H2*    U  12          1H2*        U  12  44.372  46.005-111.398
  127   2HO*    U  12          2HO*        U  12  45.294  47.838-112.174
  128    H1*    U  12           H1*        U  12  42.253  46.794-113.028
  129    H3     U  12           H3         U  12  39.768  45.347-109.692
  130    H5     U  12           H5         U  12  42.716  42.351-109.974
  131    H6     U  12           H6         U  12  43.588  43.479-111.931
  132   1H5*    C  13          1H5*        C  13  48.293  48.702-112.628
  133   2H5*    C  13          2H5*        C  13  46.766  47.926-113.036
  134    H4*    C  13           H4*        C  13  46.434  49.655-111.338
  135    H3*    C  13           H3*        C  13  48.625  48.134-109.975
  136   1H2*    C  13          1H2*        C  13  47.646  48.356-107.873
  137   2HO*    C  13          2HO*        C  13  46.174  50.430-109.108
  138    H1*    C  13           H1*        C  13  45.087  47.965-108.544
  139   1H4     C  13          1H4         C  13  46.788  42.093-106.952
  140   2H4     C  13          2H4         C  13  47.258  41.799-108.611
  141    H5     C  13           H5         C  13  47.459  43.547-110.253
  142    H6     C  13           H6         C  13  47.096  45.925-110.703
  143   1H5*    U  14          1H5*        U  14  50.671  51.886-107.257
  144   2H5*    U  14          2H5*        U  14  48.999  51.739-107.781
  145    H4*    U  14           H4*        U  14  48.889  51.508-105.454
  146    H3*    U  14           H3*        U  14  51.402  49.876-105.755
  147   1H2*    U  14          1H2*        U  14  50.837  48.579-103.917
  148   2HO*    U  14          2HO*        U  14  49.079  50.719-103.277
  149    H1*    U  14           H1*        U  14  48.101  48.532-104.300
  150    H3     U  14           H3         U  14  49.529  44.242-104.413
  151    H5     U  14           H5         U  14  50.248  45.738-108.284
  152    H6     U  14           H6         U  14  49.819  47.962-107.435
  153   1H5*    C  15          1H5*        C  15  52.732  52.030-101.072
  154   2H5*    C  15          2H5*        C  15  51.382  51.890-102.195
  155    H4*    C  15           H4*        C  15  51.006  50.351-100.394
  156    H3*    C  15           H3*        C  15  53.872  49.601-100.906
  157   1H2*    C  15          1H2*        C  15  53.471  47.376-100.446
  158   2HO*    C  15          2HO*        C  15  51.516  46.728 -99.343
  159    H1*    C  15           H1*        C  15  50.877  47.222-101.359
  160   1H4     C  15          1H4         C  15  54.023  43.985-105.733
  161   2H4     C  15          2H4         C  15  54.263  45.467-106.635
  162    H5     C  15           H5         C  15  53.844  47.659-105.710
  163    H6     C  15           H6         C  15  52.906  48.885-103.810
  164   1H5*    C  16          1H5*        C  16  54.579  48.294 -95.958
  165   2H5*    C  16          2H5*        C  16  53.214  48.583 -97.031
  166    H4*    C  16           H4*        C  16  53.369  46.224 -96.721
  167    H3*    C  16           H3*        C  16  56.296  46.664 -97.269
  168   1H2*    C  16          1H2*        C  16  56.456  44.619 -98.308
  169   2HO*    C  16          2HO*        C  16  54.782  43.002 -97.999
  170    H1*    C  16           H1*        C  16  53.884  44.451 -99.274
  171   1H4     C  16          1H4         C  16  57.443  46.516-104.334
  172   2H4     C  16          2H4         C  16  57.520  44.765-104.388
  173    H5     C  16           H5         C  16  56.544  47.743-102.447
  174    H6     C  16           H6         C  16  55.444  47.535-100.258
  175   1H5*    C  17          1H5*        C  17  57.875  43.171 -93.405
  176   2H5*    C  17          2H5*        C  17  56.256  43.302 -94.076
  177    H4*    C  17           H4*        C  17  56.893  41.100 -94.569
  178    H3*    C  17           H3*        C  17  59.592  42.308 -95.072
  179   1H2*    C  17          1H2*        C  17  60.103  40.809 -96.737
  180   2HO*    C  17          2HO*        C  17  58.146  39.181 -95.481
  181    H1*    C  17           H1*        C  17  57.528  40.382 -97.725
  182   1H4     C  17          1H4         C  17  59.782  45.239-101.463
  183   2H4     C  17          2H4         C  17  60.253  43.768-102.286
  184    H5     C  17           H5         C  17  58.922  45.271 -99.209
  185    H6     C  17           H6         C  17  58.194  43.890 -97.320
  186   1H5*    C  18          1H5*        C  18  62.238  38.209 -94.253
  187   2H5*    C  18          2H5*        C  18  60.550  38.571 -94.584
  188    H4*    C  18           H4*        C  18  61.420  37.864 -96.652
  189    H3*    C  18           H3*        C  18  63.837  39.456 -95.846
  190   1H2*    C  18          1H2*        C  18  64.288  40.093 -98.016
  191   2HO*    C  18          2HO*        C  18  63.340  38.924 -99.807
  192    H1*    C  18           H1*        C  18  61.665  40.084 -99.005
  193   1H4     C  18          1H4         C  18  63.130  46.203 -99.028
  194   2H4     C  18          2H4         C  18  62.511  46.335 -97.397
  195    H5     C  18           H5         C  18  62.012  44.427 -96.019
  196    H6     C  18           H6         C  18  61.795  41.982 -95.973
  197   1H5*    C  19          1H5*        C  19  66.176  35.566 -98.815
  198   2H5*    C  19          2H5*        C  19  64.589  36.271 -98.534
  199    H4*    C  19           H4*        C  19  65.081  36.630-100.832
  200    H3*    C  19           H3*        C  19  67.787  37.413 -99.789
  201   1H2*    C  19          1H2*        C  19  68.061  39.031-101.397
  202   2HO*    C  19          2HO*        C  19  66.026  37.662-102.848
  203    H1*    C  19           H1*        C  19  65.410  39.744-101.726
  204   1H4     C  19          1H4         C  19  67.927  44.789 -98.910
  205   2H4     C  19          2H4         C  19  67.657  44.050 -97.345
  206    H5     C  19           H5         C  19  67.006  41.734 -97.067
  207    H6     C  19           H6         C  19  66.344  39.679 -98.235
  208   1H5*    C  20          1H5*        C  20  70.469  35.177-103.808
  209   2H5*    C  20          2H5*        C  20  68.800  35.727-103.847
  210    H4*    C  20           H4*        C  20  69.961  36.970-105.516
  211    H3*    C  20           H3*        C  20  72.048  37.155-103.396
  212   1H2*    C  20          1H2*        C  20  72.670  39.277-103.908
  213   2HO*    C  20          2HO*        C  20  71.383  38.865-106.424
  214    H1*    C  20           H1*        C  20  70.261  40.272-104.744
  215   1H4     C  20          1H4         C  20  70.913  42.892 -99.071
  216   2H4     C  20          2H4         C  20  70.250  41.449 -98.332
  217    H5     C  20           H5         C  20  69.928  39.385 -99.547
  218    H6     C  20           H6         C  20  69.931  38.340-101.768
  219   1H5*    C  21          1H5*        C  21  75.698  36.898-106.458
  220   2H5*    C  21          2H5*        C  21  74.421  38.052-105.975
  221    H4*    C  21           H4*        C  21  76.641  39.083-105.868
  222    H3*    C  21           H3*        C  21  77.223  36.677-104.187
  223   1H2*    C  21          1H2*        C  21  78.440  37.875-102.639
  224   2HO*    C  21          2HO*        C  21  79.005  39.425-104.881
  225    H1*    C  21           H1*        C  21  77.198  40.393-102.996
  226   1H4     C  21          1H4         C  21  76.332  38.054 -97.088
  227   2H4     C  21          2H4         C  21  74.630  38.008 -97.487
  228    H5     C  21           H5         C  21  73.790  38.399 -99.699
  229    H6     C  21           H6         C  21  74.365  38.954-102.018
  230   1H5*    U  22          1H5*        U  22  80.781  35.975-107.569
  231   2H5*    U  22          2H5*        U  22  80.893  36.842-109.129
  232    H4*    U  22           H4*        U  22  81.248  38.967-107.886
  233    H3*    U  22           H3*        U  22  83.078  36.874-108.295
  234   1H2*    U  22          1H2*        U  22  83.374  36.157-106.164
  235   2HO*    U  22          2HO*        U  22  84.680  38.691-105.955
  236    H1*    U  22           H1*        U  22  82.752  38.749-104.837
  237    H3     U  22           H3         U  22  83.740  35.126-101.932
  238    H5     U  22           H5         U  22  79.581  35.311-102.588
  239    H6     U  22           H6         U  22  80.000  36.881-104.388
  240   1H5*    U  23          1H5*        U  23  85.387  35.847-108.985
  241   2H5*    U  23          2H5*        U  23  86.601  36.688-109.992
  242    H4*    U  23           H4*        U  23  87.631  34.855-108.719
  243    H3*    U  23           H3*        U  23  86.256  36.227-106.458
  244   1H2*    U  23          1H2*        U  23  87.996  36.121-105.036
  245   2HO*    U  23          2HO*        U  23  88.233  33.837-105.280
  246    H1*    U  23           H1*        U  23  90.119  36.119-106.823
  247    H3     U  23           H3         U  23  91.135  39.762-104.405
  248    H5     U  23           H5         U  23  87.367  40.715-106.036
  249    H6     U  23           H6         U  23  87.293  38.485-106.995
  250   1H5*    U  24          1H5*        U  24  85.204  30.932-105.157
  251   2H5*    U  24          2H5*        U  24  86.559  31.736-105.999
  252    H4*    U  24           H4*        U  24  87.262  30.152-104.190
  253    H3*    U  24           H3*        U  24  85.709  32.130-102.547
  254   1H2*    U  24          1H2*        U  24  87.210  31.986-100.819
  255   2HO*    U  24          2HO*        U  24  88.188  29.576-101.989
  256    H1*    U  24           H1*        U  24  89.488  31.501-102.360
  257    H3     U  24           H3         U  24  90.233  35.055 -99.624
  258    H5     U  24           H5         U  24  87.824  36.583-102.717
  259    H6     U  24           H6         U  24  87.590  34.312-103.580
  260   1H5*    U  25          1H5*        U  25  82.668  29.531 -99.594
  261   2H5*    U  25          2H5*        U  25  84.307  29.055-100.015
  262    H4*    U  25           H4*        U  25  84.288  29.715 -97.712
  263    H3*    U  25           H3*        U  25  82.908  32.194 -98.737
  264   1H2*    U  25          1H2*        U  25  83.867  33.416 -96.982
  265   2HO*    U  25          2HO*        U  25  84.371  30.860 -95.860
  266    H1*    U  25           H1*        U  25  86.299  32.214 -97.045
  267    H3     U  25           H3         U  25  86.849  36.581 -98.137
  268    H5     U  25           H5         U  25  85.883  34.630-101.745
  269    H6     U  25           H6         U  25  85.318  32.658-100.454
  270   1H5*    C  26          1H5*        C  26  79.366  32.652 -95.014
  271   2H5*    C  26          2H5*        C  26  80.919  31.830 -95.069
  272    H4*    C  26           H4*        C  26  81.250  33.732 -93.704
  273    H3*    C  26           H3*        C  26  79.677  35.172 -95.830
  274   1H2*    C  26          1H2*        C  26  80.858  37.115 -95.458
  275   2HO*    C  26          2HO*        C  26  82.153  37.339 -93.498
  276    H1*    C  26           H1*        C  26  83.266  35.963 -94.690
  277   1H4     C  26          1H4         C  26  84.605  38.706-100.193
  278   2H4     C  26          2H4         C  26  84.151  37.234-101.025
  279    H5     C  26           H5         C  26  82.985  35.412 -99.943
  280    H6     C  26           H6         C  26  82.172  34.542 -97.806
  281   1H5*    C  27          1H5*        C  27  77.143  37.956 -91.937
  282   2H5*    C  27          2H5*        C  27  78.589  36.956 -91.951
  283    H4*    C  27           H4*        C  27  79.297  39.162 -91.419
  284    H3*    C  27           H3*        C  27  77.504  39.967 -93.702
  285   1H2*    C  27          1H2*        C  27  78.876  41.755 -94.222
  286   2HO*    C  27          2HO*        C  27  80.566  42.412 -92.732
  287    H1*    C  27           H1*        C  27  81.300  40.540 -93.619
  288   1H4     C  27          1H4         C  27  81.123  40.557 -99.932
  289   2H4     C  27          2H4         C  27  80.354  38.985 -99.895
  290    H5     C  27           H5         C  27  79.435  38.014 -97.890
  291    H6     C  27           H6         C  27  79.271  38.229 -95.450
  292   1H5*    G  28          1H5*        G  28  75.240  44.135 -91.519
  293   2H5*    G  28          2H5*        G  28  76.777  43.372 -91.134
  294    H4*    G  28           H4*        G  28  77.305  45.459 -92.138
  295    H3*    G  28           H3*        G  28  75.126  44.706 -94.057
  296   1H2*    G  28          1H2*        G  28  76.200  45.633 -95.868
  297   2HO*    G  28          2HO*        G  28  77.650  47.129 -93.930
  298    H1*    G  28           H1*        G  28  78.824  45.162 -95.116
  299    H8     G  28           H8         G  28  76.796  42.009 -94.848
  300    H1     G  28           H1         G  28  78.805  43.236-100.767
  301   1H2     G  28          1H2         G  28  79.393  46.456 -99.579
  302   2H2     G  28          2H2         G  28  79.446  45.351-100.934
  303   1H5*    A  29          1H5*        A  29  74.229  50.035 -94.454
  304   2H5*    A  29          2H5*        A  29  75.565  49.057 -93.862
  305    H4*    A  29           H4*        A  29  76.446  50.334 -95.653
  306    H3*    A  29           H3*        A  29  73.862  49.612 -97.009
  307   1H2*    A  29          1H2*        A  29  74.866  49.570 -99.096
  308   2HO*    A  29          2HO*        A  29  76.871  51.151 -97.852
  309    H1*    A  29           H1*        A  29  77.349  48.604 -98.322
  310    H8     A  29           H8         A  29  74.610  46.469 -96.878
  311   1H6     A  29          1H6         A  29  74.950  43.203-102.089
  312   2H6     A  29          2H6         A  29  74.411  43.195-100.425
  313    H2     A  29           H2         A  29  77.061  47.116-102.750
  314   1H5*    G  30          1H5*        G  30  73.055  53.289-100.019
  315   2H5*    G  30          2H5*        G  30  74.552  52.644 -99.357
  316    H4*    G  30           H4*        G  30  74.398  51.954-101.651
  317    H3*    G  30           H3*        G  30  71.612  51.141-100.853
  318   1H2*    G  30          1H2*        G  30  71.649  49.369-102.375
  319   2HO*    G  30          2HO*        G  30  73.577  49.195-103.804
  320    H1*    G  30           H1*        G  30  74.213  48.560-101.928
  321    H8     G  30           H8         G  30  72.503  49.400 -98.638
  322    H1     G  30           H1         G  30  71.277  43.553-100.834
  323   1H2     G  30          1H2         G  30  72.513  44.779-103.848
  324   2H2     G  30          2H2         G  30  71.826  43.427-102.977
  325   1H5*    G  31          1H5*        G  31  69.410  52.839-105.415
  326   2H5*    G  31          2H5*        G  31  71.078  52.391-105.074
  327    H4*    G  31           H4*        G  31  70.276  50.808-106.659
  328    H3*    G  31           H3*        G  31  67.833  50.877-104.930
  329   1H2*    G  31          1H2*        G  31  67.382  48.614-105.219
  330   2HO*    G  31          2HO*        G  31  69.206  48.769-107.417
  331    H1*    G  31           H1*        G  31  69.956  47.672-105.189
  332    H8     G  31           H8         G  31  69.440  50.288-102.496
  333    H1     G  31           H1         G  31  67.717  44.415-100.716
  334   1H2     G  31          1H2         G  31  67.763  43.684-104.106
  335   2H2     G  31          2H2         G  31  67.480  43.121-102.477
  336   1H5*    G  32          1H5*        G  32  65.780  48.842-109.276
  337   2H5*    G  32          2H5*        G  32  67.318  49.177-108.496
  338    H4*    G  32           H4*        G  32  67.223  46.873-108.442
  339    H3*    G  32           H3*        G  32  64.281  47.263-107.999
  340   1H2*    G  32          1H2*        G  32  64.102  45.304-106.797
  341   2HO*    G  32          2HO*        G  32  66.332  44.554-108.344
  342    H1*    G  32           H1*        G  32  66.702  45.270-105.721
  343    H8     G  32           H8         G  32  65.038  48.508-104.939
  344    H1     G  32           H1         G  32  63.547  43.918-100.802
  345   1H2     G  32          1H2         G  32  64.634  41.722-103.264
  346   2H2     G  32          2H2         G  32  63.957  41.931-101.660
  347   1H5*    U  33          1H5*        U  33  63.311  42.796-109.705
  348   2H5*    U  33          2H5*        U  33  61.969  43.793-110.356
  349    H4*    U  33           H4*        U  33  62.269  41.459-111.388
  350    H3*    U  33           H3*        U  33  64.914  42.163-111.622
  351   1H2*    U  33          1H2*        U  33  64.757  43.857-113.164
  352   2HO*    U  33          2HO*        U  33  64.498  41.571-114.862
  353    H1*    U  33           H1*        U  33  62.543  42.650-114.753
  354    H3     U  33           H3         U  33  62.934  46.601-116.926
  355    H5     U  33           H5         U  33  62.063  47.704-112.952
  356    H6     U  33           H6         U  33  62.262  45.367-112.330
  357   1H5*    C  34          1H5*        C  34  66.017  39.301-114.557
  358   2H5*    C  34          2H5*        C  34  66.330  40.839-113.701
  359    H4*    C  34           H4*        C  34  68.260  38.650-114.457
  360    H3*    C  34           H3*        C  34  68.250  40.299-111.975
  361   1H2*    C  34          1H2*        C  34  70.395  41.067-112.179
  362   2HO*    C  34          2HO*        C  34  71.932  40.004-113.519
  363    H1*    C  34           H1*        C  34  70.579  41.249-114.934
  364   1H4     C  34          1H4         C  34  68.236  46.504-111.603
  365   2H4     C  34          2H4         C  34  69.678  47.050-112.430
  366    H5     C  34           H5         C  34  67.374  44.253-111.821
  367    H6     C  34           H6         C  34  67.717  42.069-112.768
  368   1H5*    A  35          1H5*        A  35  72.179  37.810-110.854
  369   2H5*    A  35          2H5*        A  35  71.206  38.683-112.065
  370    H4*    A  35           H4*        A  35  73.077  40.023-111.925
  371    H3*    A  35           H3*        A  35  73.531  38.702-109.500
  372   1H2*    A  35          1H2*        A  35  72.688  40.179-108.032
  373   2HO*    A  35          2HO*        A  35  74.195  41.849-107.535
  374    H1*    A  35           H1*        A  35  73.063  42.567-109.755
  375    H8     A  35           H8         A  35  69.782  42.015-109.951
  376   1H6     A  35          1H6         A  35  67.995  44.097-105.984
  377   2H6     A  35          2H6         A  35  68.686  44.441-104.416
  378    H2     A  35           H2         A  35  72.950  43.041-104.527
  379   1H5*    U  36          1H5*        U  36  78.468  41.082-110.814
  380   2H5*    U  36          2H5*        U  36  76.766  41.340-111.158
  381    H4*    U  36           H4*        U  36  77.665  43.470-110.652
  382    H3*    U  36           H3*        U  36  79.045  42.023-108.411
  383   1H2*    U  36          1H2*        U  36  78.918  43.858-107.022
  384   2HO*    U  36          2HO*        U  36  78.473  45.972-107.870
  385    H1*    U  36           H1*        U  36  76.515  44.902-107.929
  386    H3     U  36           H3         U  36  76.118  44.102-103.477
  387    H5     U  36           H5         U  36  75.204  40.486-105.427
  388    H6     U  36           H6         U  36  76.082  41.421-107.465
  389   1H5*    C  37          1H5*        C  37  82.929  45.397-108.747
  390   2H5*    C  37          2H5*        C  37  81.251  45.245-109.250
  391    H4*    C  37           H4*        C  37  81.329  46.829-107.463
  392    H3*    C  37           H3*        C  37  82.935  44.711-106.032
  393   1H2*    C  37          1H2*        C  37  82.113  45.467-104.009
  394   2HO*    C  37          2HO*        C  37  81.496  47.854-105.431
  395    H1*    C  37           H1*        C  37  79.591  46.225-104.943
  396   1H4     C  37          1H4         C  37  78.764  41.208-101.183
  397   2H4     C  37          2H4         C  37  78.880  40.164-102.582
  398    H5     C  37           H5         C  37  79.636  40.935-104.741
  399    H6     C  37           H6         C  37  80.239  42.900-106.065
  400   1H5*    G  38          1H5*        G  38  86.986  47.831-104.323
  401   2H5*    G  38          2H5*        G  38  85.435  48.493-104.822
  402    H4*    G  38           H4*        G  38  85.663  49.155-102.573
  403    H3*    G  38           H3*        G  38  86.853  46.425-102.221
  404   1H2*    G  38          1H2*        G  38  85.975  46.134-100.110
  405   2HO*    G  38          2HO*        G  38  85.618  48.961-100.136
  406    H1*    G  38           H1*        G  38  83.552  47.347-100.456
  407    H8     G  38           H8         G  38  84.425  45.198-103.443
  408    H1     G  38           H1         G  38  81.794  41.943 -98.639
  409   1H2     G  38          1H2         G  38  82.573  44.738 -96.715
  410   2H2     G  38          2H2         G  38  81.887  43.130 -96.770
  411   1H5*    G  39          1H5*        G  39  89.838  48.042 -98.269
  412   2H5*    G  39          2H5*        G  39  88.369  48.640 -99.029
  413    H4*    G  39           H4*        G  39  87.755  47.876 -96.861
  414    H3*    G  39           H3*        G  39  89.386  45.441 -97.575
  415   1H2*    G  39          1H2*        G  39  88.023  44.112 -96.237
  416   2HO*    G  39          2HO*        G  39  86.445  45.100 -94.828
  417    H1*    G  39           H1*        G  39  85.640  45.320 -96.871
  418    H8     G  39           H8         G  39  87.579  44.778-100.039
  419    H1     G  39           H1         G  39  84.630  39.515 -97.974
  420   1H2     G  39          1H2         G  39  84.063  39.745 -95.846
  421   2H2     G  39          2H2         G  39  84.399  41.203 -94.937
  422   1H5*    A  40          1H5*        A  40  91.890  44.642 -93.035
  423   2H5*    A  40          2H5*        A  40  90.411  45.574 -93.229
  424    H4*    A  40           H4*        A  40  89.640  43.757 -92.028
  425    H3*    A  40           H3*        A  40  91.778  42.247 -93.481
  426   1H2*    A  40          1H2*        A  40  90.573  40.290 -93.537
  427   2HO*    A  40          2HO*        A  40  88.824  39.945 -92.046
  428    H1*    A  40           H1*        A  40  87.993  41.367 -93.483
  429    H8     A  40           H8         A  40  89.881  42.668 -96.455
  430   1H6     A  40          1H6         A  40  87.655  37.765 -99.443
  431   2H6     A  40          2H6         A  40  88.318  39.373 -99.622
  432    H2     A  40           H2         A  40  87.244  37.012 -95.028
  433   1H5*    A  41          1H5*        A  41  91.050  39.648 -88.773
  434   2H5*    A  41          2H5*        A  41  90.095  40.760 -89.797
  435    H4*    A  41           H4*        A  41  88.724  38.835 -89.267
  436    H3*    A  41           H3*        A  41  91.193  37.332 -90.025
  437   1H2*    A  41          1H2*        A  41  90.089  35.692 -91.184
  438   2HO*    A  41          2HO*        A  41  87.684  36.536 -89.903
  439    H1*    A  41           H1*        A  41  88.030  37.155 -92.239
  440    H8     A  41           H8         A  41  91.534  38.662 -92.395
  441   1H6     A  41          1H6         A  41  92.947  36.845 -96.638
  442   2H6     A  41          2H6         A  41  92.241  35.676 -97.733
  443    H2     A  41           H2         A  41  88.354  34.364 -95.904
  444   1H5*    C  42          1H5*        C  42  89.992  33.417 -87.248
  445   2H5*    C  42          2H5*        C  42  89.084  34.101 -88.630
  446    H4*    C  42           H4*        C  42  89.527  31.619 -88.767
  447    H3*    C  42           H3*        C  42  92.319  32.672 -88.695
  448   1H2*    C  42          1H2*        C  42  93.047  31.382 -90.417
  449   2HO*    C  42          2HO*        C  42  92.042  29.414 -90.978
  450    H1*    C  42           H1*        C  42  90.693  31.030 -91.798
  451   1H4     C  42          1H4         C  42  94.316  34.582 -95.588
  452   2H4     C  42          2H4         C  42  94.454  35.835 -94.375
  453    H5     C  42           H5         C  42  93.465  35.664 -92.187
  454    H6     C  42           H6         C  42  92.117  34.269 -90.692
  455   1H5*    C  43          1H5*        C  43  93.237  27.770 -87.816
  456   2H5*    C  43          2H5*        C  43  92.256  28.748 -88.950
  457    H4*    C  43           H4*        C  43  93.641  26.974 -90.065
  458    H3*    C  43           H3*        C  43  95.782  28.526 -88.674
  459   1H2*    C  43          1H2*        C  43  97.200  28.569 -90.460
  460   2HO*    C  43          2HO*        C  43  97.039  26.286 -90.855
  461    H1*    C  43           H1*        C  43  95.365  28.720 -92.520
  462   1H4     C  43          1H4         C  43  97.799  34.538 -91.596
  463   2H4     C  43          2H4         C  43  96.835  34.738 -90.149
  464    H5     C  43           H5         C  43  95.436  33.004 -89.244
  465    H6     C  43           H6         C  43  94.619  30.693 -89.557
  466   1H5*    A  44          1H5*        A  44  95.628  28.601 -84.905
  467   2H5*    A  44          2H5*        A  44  96.585  27.091 -84.993
  468    H4*    A  44           H4*        A  44  98.011  29.112 -84.906
  469    H3*    A  44           H3*        A  44  96.168  29.983 -86.999
  470   1H2*    A  44          1H2*        A  44  97.545  29.894 -88.746
  471   2HO*    A  44          2HO*        A  44  99.436  31.211 -88.692
  472    H1*    A  44           H1*        A  44 100.032  29.229 -87.296
  473    H8     A  44           H8         A  44  97.817  26.522 -88.674
  474   1H6     A  44          1H6         A  44  99.996  25.800 -92.926
  475   2H6     A  44          2H6         A  44 101.252  26.662 -93.786
  476    H2     A  44           H2         A  44 102.421  30.161 -91.219
  477    H3T    A  44           H3T        A  44  97.129  31.983 -86.417
   
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  61.192  37.678-110.530
    2   2H5*    G   1          2H5*        G   1  61.897  38.710-109.262
    3    H4*    G   1           H4*        G   1  61.798  35.996-109.144
    4    H3*    G   1           H3*        G   1  59.187  37.054-108.193
    5   1H2*    G   1          1H2*        G   1  59.238  36.003-106.107
    6   2HO*    G   1          2HO*        G   1  60.542  34.273-105.668
    7    H1*    G   1           H1*        G   1  61.795  36.363-105.475
    8    H8     G   1           H8         G   1  61.023  39.445-107.383
    9    H1     G   1           H1         G   1  59.391  39.854-101.242
   10   1H2     G   1          1H2         G   1  59.561  36.384-101.242
   11   2H2     G   1          2H2         G   1  59.245  37.851-100.336
   12    H5T    G   1           H5T        G   1  59.173  38.055-109.624
   13   1H5*    G   2          1H5*        G   2  56.180  33.627-107.753
   14   2H5*    G   2          2H5*        G   2  57.914  33.740-107.489
   15    H4*    G   2           H4*        G   2  56.946  33.931-105.352
   16    H3*    G   2           H3*        G   2  54.987  35.804-106.675
   17   1H2*    G   2          1H2*        G   2  54.773  36.988-104.698
   18   2HO*    G   2          2HO*        G   2  55.752  34.624-103.448
   19    H1*    G   2           H1*        G   2  57.344  36.494-103.697
   20    H8     G   2           H8         G   2  57.506  38.264-106.991
   21    H1     G   2           H1         G   2  56.158  42.119-102.106
   22   1H2     G   2          1H2         G   2  55.408  39.172-100.405
   23   2H2     G   2          2H2         G   2  55.499  40.918-100.360
   24   1H5*    G   3          1H5*        G   3  51.400  33.284-103.418
   25   2H5*    G   3          2H5*        G   3  53.121  33.303-103.803
   26    H4*    G   3           H4*        G   3  52.997  34.648-101.889
   27    H3*    G   3           H3*        G   3  50.361  35.430-103.033
   28   1H2*    G   3          1H2*        G   3  50.620  37.711-102.444
   29   2HO*    G   3          2HO*        G   3  51.665  36.479-100.225
   30    H1*    G   3           H1*        G   3  53.424  37.667-101.957
   31    H8     G   3           H8         G   3  52.822  37.418-105.575
   32    H1     G   3           H1         G   3  52.754  43.358-103.264
   33   1H2     G   3          1H2         G   3  52.144  41.801-100.212
   34   2H2     G   3          2H2         G   3  52.362  43.303-101.084
   35   1H5*    A   4          1H5*        A   4  47.046  35.272 -99.515
   36   2H5*    A   4          2H5*        A   4  47.466  34.703 -97.910
   37    H4*    A   4           H4*        A   4  46.916  36.725 -97.093
   38    H3*    A   4           H3*        A   4  46.547  37.389-100.026
   39   1H2*    A   4          1H2*        A   4  46.276  39.669 -99.480
   40   2HO*    A   4          2HO*        A   4  46.434  38.850 -96.740
   41    H1*    A   4           H1*        A   4  48.431  39.839 -97.949
   42    H8     A   4           H8         A   4  49.057  37.280-100.549
   43   1H6     A   4          1H6         A   4  50.213  41.858-104.504
   44   2H6     A   4          2H6         A   4  50.372  40.138-104.223
   45    H2     A   4           H2         A   4  48.328  43.604-100.813
   46   1H5*    G   5          1H5*        G   5  41.713  38.706 -98.213
   47   2H5*    G   5          2H5*        G   5  43.414  38.438 -97.834
   48    H4*    G   5           H4*        G   5  42.939  40.827 -97.870
   49    H3*    G   5           H3*        G   5  41.722  40.122-100.510
   50   1H2*    G   5          1H2*        G   5  42.536  41.983-101.582
   51   2HO*    G   5          2HO*        G   5  42.452  43.082 -98.996
   52    H1*    G   5           H1*        G   5  44.873  42.367-100.090
   53    H8     G   5           H8         G   5  44.900  38.885-101.324
   54    H1     G   5           H1         G   5  46.720  43.059-105.783
   55   1H2     G   5          1H2         G   5  46.104  45.113-105.223
   56   2H2     G   5          2H2         G   5  45.237  45.454-103.739
   57   1H5*    C   6          1H5*        C   6  37.942  43.184-100.125
   58   2H5*    C   6          2H5*        C   6  39.595  43.587-100.680
   59    H4*    C   6           H4*        C   6  37.890  44.453-102.236
   60    H3*    C   6           H3*        C   6  36.982  41.605-102.119
   61   1H2*    C   6          1H2*        C   6  36.617  41.424-104.368
   62   2HO*    C   6          2HO*        C   6  36.321  43.254-105.704
   63    H1*    C   6           H1*        C   6  38.603  43.101-105.314
   64   1H4     C   6          1H4         C   6  40.548  37.126-106.316
   65   2H4     C   6          2H4         C   6  40.877  36.914-104.610
   66    H5     C   6           H5         C   6  40.382  38.588-102.952
   67    H6     C   6           H6         C   6  39.471  40.834-102.571
   68   1H5*    U   7          1H5*        U   7  32.000  42.530-102.996
   69   2H5*    U   7          2H5*        U   7  33.500  43.297-103.597
   70    H4*    U   7           H4*        U   7  32.525  42.176-105.463
   71    H3*    U   7           H3*        U   7  32.032  40.000-103.469
   72   1H2*    U   7          1H2*        U   7  32.529  38.300-104.922
   73   2HO*    U   7          2HO*        U   7  32.078  40.133-107.057
   74    H1*    U   7           H1*        U   7  34.330  39.660-106.603
   75    H3     U   7           H3         U   7  36.889  36.199-105.393
   76    H5     U   7           H5         U   7  36.163  38.154-101.731
   77    H6     U   7           H6         U   7  34.673  39.663-102.900
   78   1H5*    C   8          1H5*        C   8  29.705  37.359-103.838
   79   2H5*    C   8          2H5*        C   8  27.929  37.314-104.049
   80    H4*    C   8           H4*        C   8  28.948  35.481-105.280
   81    H3*    C   8           H3*        C   8  30.926  37.486-105.913
   82   1H2*    C   8          1H2*        C   8  30.458  37.921-108.033
   83   2HO*    C   8          2HO*        C   8  30.508  35.093-108.402
   84    H1*    C   8           H1*        C   8  28.401  35.925-108.571
   85   1H4     C   8          1H4         C   8  26.397  41.043-111.672
   86   2H4     C   8          2H4         C   8  26.871  42.085-110.349
   87    H5     C   8           H5         C   8  27.898  41.249-108.329
   88    H6     C   8           H6         C   8  28.719  39.293-107.155
   89   1H5*    A   9          1H5*        A   9  33.593  33.561-108.239
   90   2H5*    A   9          2H5*        A   9  31.934  33.786-108.868
   91    H4*    A   9           H4*        A   9  33.676  33.423-110.641
   92    H3*    A   9           H3*        A   9  34.755  35.897-109.352
   93   1H2*    A   9          1H2*        A   9  35.231  36.929-111.341
   94   2HO*    A   9          2HO*        A   9  35.040  34.388-112.618
   95    H1*    A   9           H1*        A   9  33.189  35.891-112.903
   96    H8     A   9           H8         A   9  31.200  37.204-110.275
   97   1H6     A   9          1H6         A   9  32.895  42.973-111.615
   98   2H6     A   9          2H6         A   9  31.739  41.982-110.753
   99    H2     A   9           H2         A   9  35.736  40.163-113.679
  100   1H5*    A  10          1H5*        A  10  39.814  33.869-110.393
  101   2H5*    A  10          2H5*        A  10  38.242  33.535-111.179
  102    H4*    A  10           H4*        A  10  39.578  34.323-112.943
  103    H3*    A  10           H3*        A  10  40.764  36.126-110.868
  104   1H2*    A  10          1H2*        A  10  41.009  37.902-112.299
  105   2HO*    A  10          2HO*        A  10  42.043  36.667-113.954
  106    H1*    A  10           H1*        A  10  38.786  37.579-113.868
  107    H8     A  10           H8         A  10  37.658  37.213-110.335
  108   1H6     A  10          1H6         A  10  38.134  43.321-109.718
  109   2H6     A  10          2H6         A  10  37.501  41.853-109.005
  110    H2     A  10           H2         A  10  40.175  42.128-113.541
  111   1H5*    C  11          1H5*        C  11  45.323  36.512-113.276
  112   2H5*    C  11          2H5*        C  11  43.683  36.246-113.935
  113    H4*    C  11           H4*        C  11  44.445  38.376-114.741
  114    H3*    C  11           H3*        C  11  45.336  38.728-111.903
  115   1H2*    C  11          1H2*        C  11  44.734  40.936-111.803
  116   2HO*    C  11          2HO*        C  11  45.850  41.499-113.747
  117    H1*    C  11           H1*        C  11  42.551  40.912-113.489
  118   1H4     C  11          1H4         C  11  40.832  39.764-107.192
  119   2H4     C  11          2H4         C  11  40.329  41.398-107.562
  120    H5     C  11           H5         C  11  42.026  38.367-108.748
  121    H6     C  11           H6         C  11  43.028  38.246-110.981
  122   1H5*    U  12          1H5*        U  12  48.771  42.342-114.030
  123   2H5*    U  12          2H5*        U  12  47.214  41.857-114.766
  124    H4*    U  12           H4*        U  12  47.328  44.283-114.616
  125    H3*    U  12           H3*        U  12  48.122  43.674-111.796
  126   1H2*    U  12          1H2*        U  12  46.884  45.383-110.898
  127   2HO*    U  12          2HO*        U  12  46.784  46.548-113.498
  128    H1*    U  12           H1*        U  12  44.796  45.449-112.762
  129    H3     U  12           H3         U  12  42.237  44.345-109.275
  130    H5     U  12           H5         U  12  45.360  41.522-109.045
  131    H6     U  12           H6         U  12  46.362  42.572-110.992
  132   1H5*    C  13          1H5*        C  13  50.778  48.155-111.487
  133   2H5*    C  13          2H5*        C  13  49.424  47.541-112.429
  134    H4*    C  13           H4*        C  13  48.590  49.221-110.919
  135    H3*    C  13           H3*        C  13  50.252  47.717-108.926
  136   1H2*    C  13          1H2*        C  13  48.693  48.012-107.216
  137   2HO*    C  13          2HO*        C  13  46.932  49.450-107.439
  138    H1*    C  13           H1*        C  13  46.465  47.533-108.591
  139   1H4     C  13          1H4         C  13  47.780  41.693-106.605
  140   2H4     C  13          2H4         C  13  48.740  41.434-108.045
  141    H5     C  13           H5         C  13  49.398  43.214-109.526
  142    H6     C  13           H6         C  13  49.123  45.589-110.051
  143   1H5*    U  14          1H5*        U  14  51.498  51.499-105.781
  144   2H5*    U  14          2H5*        U  14  50.017  51.350-106.714
  145    H4*    U  14           H4*        U  14  49.324  51.173-104.478
  146    H3*    U  14           H3*        U  14  51.752  49.420-104.116
  147   1H2*    U  14          1H2*        U  14  50.678  48.276-102.391
  148   2HO*    U  14          2HO*        U  14  48.751  50.385-102.444
  149    H1*    U  14           H1*        U  14  48.169  48.237-103.533
  150    H3     U  14           H3         U  14  49.632  43.954-103.091
  151    H5     U  14           H5         U  14  51.349  45.338-106.681
  152    H6     U  14           H6         U  14  50.593  47.565-106.111
  153   1H5*    C  15          1H5*        C  15  53.497  51.409 -99.581
  154   2H5*    C  15          2H5*        C  15  51.915  51.555-100.338
  155    H4*    C  15           H4*        C  15  51.622  50.060 -98.517
  156    H3*    C  15           H3*        C  15  54.261  48.966 -99.431
  157   1H2*    C  15          1H2*        C  15  53.696  46.782 -98.992
  158   2HO*    C  15          2HO*        C  15  51.823  47.938 -97.226
  159    H1*    C  15           H1*        C  15  51.036  46.850 -99.590
  160   1H4     C  15          1H4         C  15  53.337  44.058-104.736
  161   2H4     C  15          2H4         C  15  53.641  45.631-105.443
  162    H5     C  15           H5         C  15  53.669  47.680-104.137
  163    H6     C  15           H6         C  15  52.937  48.703-102.047
  164   1H5*    C  16          1H5*        C  16  55.314  47.221 -94.683
  165   2H5*    C  16          2H5*        C  16  53.882  47.709 -95.579
  166    H4*    C  16           H4*        C  16  53.790  45.335 -95.362
  167    H3*    C  16           H3*        C  16  56.674  45.477 -96.200
  168   1H2*    C  16          1H2*        C  16  56.513  43.501 -97.354
  169   2HO*    C  16          2HO*        C  16  54.248  42.970 -95.724
  170    H1*    C  16           H1*        C  16  53.861  43.647 -98.073
  171   1H4     C  16          1H4         C  16  57.193  45.795-103.269
  172   2H4     C  16          2H4         C  16  57.039  44.063-103.488
  173    H5     C  16           H5         C  16  56.617  46.923-101.204
  174    H6     C  16           H6         C  16  55.685  46.627 -98.949
  175   1H5*    C  17          1H5*        C  17  58.313  41.587 -92.772
  176   2H5*    C  17          2H5*        C  17  56.627  41.864 -93.184
  177    H4*    C  17           H4*        C  17  56.980  39.654 -93.854
  178    H3*    C  17           H3*        C  17  59.705  40.636 -94.615
  179   1H2*    C  17          1H2*        C  17  59.896  39.196 -96.399
  180   2HO*    C  17          2HO*        C  17  58.399  37.372 -96.584
  181    H1*    C  17           H1*        C  17  57.216  39.075 -97.142
  182   1H4     C  17          1H4         C  17  59.477  44.059-100.701
  183   2H4     C  17          2H4         C  17  59.733  42.637-101.689
  184    H5     C  17           H5         C  17  58.869  43.955 -98.371
  185    H6     C  17           H6         C  17  58.213  42.473 -96.534
  186   1H5*    C  18          1H5*        C  18  62.215  36.441 -93.849
  187   2H5*    C  18          2H5*        C  18  60.537  36.896 -94.123
  188    H4*    C  18           H4*        C  18  61.359  36.175 -96.223
  189    H3*    C  18           H3*        C  18  63.789  37.782 -95.481
  190   1H2*    C  18          1H2*        C  18  64.165  38.410 -97.667
  191   2HO*    C  18          2HO*        C  18  62.723  36.051 -98.268
  192    H1*    C  18           H1*        C  18  61.503  38.353 -98.563
  193   1H4     C  18          1H4         C  18  63.020  44.448 -98.856
  194   2H4     C  18          2H4         C  18  62.459  44.651 -97.211
  195    H5     C  18           H5         C  18  61.984  42.800 -95.745
  196    H6     C  18           H6         C  18  61.740  40.358 -95.602
  197   1H5*    C  19          1H5*        C  19  66.440  33.862 -98.248
  198   2H5*    C  19          2H5*        C  19  64.755  34.355 -98.133
  199    H4*    C  19           H4*        C  19  65.318  34.556-100.423
  200    H3*    C  19           H3*        C  19  67.883  35.692 -99.359
  201   1H2*    C  19          1H2*        C  19  68.089  37.201-101.085
  202   2HO*    C  19          2HO*        C  19  66.675  36.955-102.995
  203    H1*    C  19           H1*        C  19  65.449  37.741-101.527
  204   1H4     C  19          1H4         C  19  67.429  42.918 -98.521
  205   2H4     C  19          2H4         C  19  67.112  42.141 -96.984
  206    H5     C  19           H5         C  19  66.628  39.784 -96.768
  207    H6     C  19           H6         C  19  66.181  37.706 -97.992
  208   1H5*    C  20          1H5*        C  20  70.985  33.401-103.023
  209   2H5*    C  20          2H5*        C  20  69.273  33.773-103.166
  210    H4*    C  20           H4*        C  20  70.427  35.034-104.841
  211    H3*    C  20           H3*        C  20  72.302  35.647-102.587
  212   1H2*    C  20          1H2*        C  20  72.662  37.795-103.231
  213   2HO*    C  20          2HO*        C  20  71.543  37.051-105.752
  214    H1*    C  20           H1*        C  20  70.179  38.446-104.083
  215   1H4     C  20          1H4         C  20  70.446  40.771 -98.234
  216   2H4     C  20          2H4         C  20  69.873  39.235 -97.612
  217    H5     C  20           H5         C  20  69.768  37.223 -98.964
  218    H6     C  20           H6         C  20  69.961  36.326-101.251
  219   1H5*    C  21          1H5*        C  21  76.352  35.812-104.764
  220   2H5*    C  21          2H5*        C  21  75.047  37.016-104.580
  221    H4*    C  21           H4*        C  21  77.335  37.826-103.920
  222    H3*    C  21           H3*        C  21  76.981  35.600-101.934
  223   1H2*    C  21          1H2*        C  21  77.863  36.852-100.208
  224   2HO*    C  21          2HO*        C  21  79.274  38.604-100.621
  225    H1*    C  21           H1*        C  21  77.215  39.416-101.235
  226   1H4     C  21          1H4         C  21  74.353  38.528 -95.627
  227   2H4     C  21          2H4         C  21  72.852  38.633 -96.521
  228    H5     C  21           H5         C  21  72.755  38.657 -98.917
  229    H6     C  21           H6         C  21  74.042  38.487-101.004
  230   1H5*    U  22          1H5*        U  22  81.218  38.192-105.199
  231   2H5*    U  22          2H5*        U  22  81.843  37.946-103.541
  232    H4*    U  22           H4*        U  22  83.550  36.412-104.390
  233    H3*    U  22           H3*        U  22  83.469  39.180-104.847
  234   1H2*    U  22          1H2*        U  22  83.160  39.220-107.092
  235   2HO*    U  22          2HO*        U  22  85.399  39.775-106.849
  236    H1*    U  22           H1*        U  22  84.482  36.613-107.665
  237    H3     U  22           H3         U  22  82.704  38.854-111.450
  238    H5     U  22           H5         U  22  79.812  36.220-109.882
  239    H6     U  22           H6         U  22  81.198  35.975-107.908
  240   1H5*    U  23          1H5*        U  23  86.491  38.087-106.912
  241   2H5*    U  23          2H5*        U  23  87.298  39.618-107.361
  242    H4*    U  23           H4*        U  23  88.438  37.692-108.364
  243    H3*    U  23           H3*        U  23  88.445  36.740-105.523
  244   1H2*    U  23          1H2*        U  23  90.530  35.771-105.725
  245   2HO*    U  23          2HO*        U  23  90.304  36.115-108.545
  246    H1*    U  23           H1*        U  23  91.698  37.670-107.287
  247    H3     U  23           H3         U  23  93.445  37.279-103.000
  248    H5     U  23           H5         U  23  90.604  40.394-102.942
  249    H6     U  23           H6         U  23  89.883  39.681-105.151
  250   1H5*    U  24          1H5*        U  24  88.585  32.288-106.039
  251   2H5*    U  24          2H5*        U  24  89.622  33.704-106.377
  252    H4*    U  24           H4*        U  24  90.521  31.871-104.794
  253    H3*    U  24           H3*        U  24  88.412  33.190-103.108
  254   1H2*    U  24          1H2*        U  24  89.745  33.070-101.242
  255   2HO*    U  24          2HO*        U  24  91.335  31.141-102.613
  256    H1*    U  24           H1*        U  24  92.203  33.313-102.557
  257    H3     U  24           H3         U  24  91.979  36.429 -99.261
  258    H5     U  24           H5         U  24  89.539  37.950-102.336
  259    H6     U  24           H6         U  24  89.838  35.860-103.528
  260   1H5*    U  25          1H5*        U  25  85.980  29.681-100.660
  261   2H5*    U  25          2H5*        U  25  87.689  29.655-101.062
  262    H4*    U  25           H4*        U  25  87.513  30.030 -98.713
  263    H3*    U  25           H3*        U  25  85.517  32.156 -99.486
  264   1H2*    U  25          1H2*        U  25  86.119  33.385 -97.593
  265   2HO*    U  25          2HO*        U  25  87.259  30.940 -96.715
  266    H1*    U  25           H1*        U  25  88.790  32.839 -97.678
  267    H3     U  25           H3         U  25  88.271  37.312 -98.187
  268    H5     U  25           H5         U  25  87.857  35.678-102.048
  269    H6     U  25           H6         U  25  87.760  33.476-101.039
  270   1H5*    C  26          1H5*        C  26  82.170  31.487 -95.748
  271   2H5*    C  26          2H5*        C  26  83.880  31.114 -95.912
  272    H4*    C  26           H4*        C  26  83.755  32.976 -94.454
  273    H3*    C  26           H3*        C  26  81.773  34.045 -96.453
  274   1H2*    C  26          1H2*        C  26  82.425  36.210 -96.006
  275   2HO*    C  26          2HO*        C  26  83.399  35.151 -93.558
  276    H1*    C  26           H1*        C  26  85.077  35.689 -95.354
  277   1H4     C  26          1H4         C  26  85.405  39.009-100.701
  278   2H4     C  26          2H4         C  26  85.307  37.521-101.620
  279    H5     C  26           H5         C  26  84.708  35.397-100.635
  280    H6     C  26           H6         C  26  84.277  34.211 -98.536
  281   1H5*    C  27          1H5*        C  27  78.793  35.890 -92.307
  282   2H5*    C  27          2H5*        C  27  80.437  35.279 -92.441
  283    H4*    C  27           H4*        C  27  80.622  37.561 -91.813
  284    H3*    C  27           H3*        C  27  78.533  38.007 -93.938
  285   1H2*    C  27          1H2*        C  27  79.404  40.075 -94.465
  286   2HO*    C  27          2HO*        C  27  80.601  39.934 -91.891
  287    H1*    C  27           H1*        C  27  82.088  39.489 -94.000
  288   1H4     C  27          1H4         C  27  81.614  39.806-100.288
  289   2H4     C  27          2H4         C  27  81.261  38.092-100.329
  290    H5     C  27           H5         C  27  80.716  36.812 -98.360
  291    H6     C  27           H6         C  27  80.612  36.849 -95.908
  292   1H5*    G  28          1H5*        G  28  75.747  41.647 -91.316
  293   2H5*    G  28          2H5*        G  28  77.421  41.164 -91.074
  294    H4*    G  28           H4*        G  28  77.522  43.391 -91.856
  295    H3*    G  28           H3*        G  28  75.339  42.507 -93.715
  296   1H2*    G  28          1H2*        G  28  76.091  43.817 -95.450
  297   2HO*    G  28          2HO*        G  28  77.493  45.279 -93.446
  298    H1*    G  28           H1*        G  28  78.805  43.709 -94.949
  299    H8     G  28           H8         G  28  77.314  40.251 -94.954
  300    H1     G  28           H1         G  28  78.601  42.469-100.790
  301   1H2     G  28          1H2         G  28  78.801  45.577 -99.237
  302   2H2     G  28          2H2         G  28  78.902  44.660-100.724
  303   1H5*    A  29          1H5*        A  29  73.300  47.547 -93.487
  304   2H5*    A  29          2H5*        A  29  74.868  46.921 -92.997
  305    H4*    A  29           H4*        A  29  75.363  48.478 -94.687
  306    H3*    A  29           H3*        A  29  72.900  47.374 -96.005
  307   1H2*    A  29          1H2*        A  29  73.759  47.660 -98.133
  308   2HO*    A  29          2HO*        A  29  75.485  49.522 -96.872
  309    H1*    A  29           H1*        A  29  76.406  47.112 -97.607
  310    H8     A  29           H8         A  29  74.216  44.476 -96.056
  311   1H6     A  29          1H6         A  29  74.623  41.522-101.441
  312   2H6     A  29          2H6         A  29  74.255  41.356 -99.739
  313    H2     A  29           H2         A  29  75.973  45.761-102.073
  314   1H5*    G  30          1H5*        G  30  71.629  51.303 -98.700
  315   2H5*    G  30          2H5*        G  30  73.137  50.751 -97.979
  316    H4*    G  30           H4*        G  30  73.240  50.302-100.334
  317    H3*    G  30           H3*        G  30  70.471  49.242 -99.873
  318   1H2*    G  30          1H2*        G  30  70.750  47.488-101.369
  319   2HO*    G  30          2HO*        G  30  72.726  47.476-102.727
  320    H1*    G  30           H1*        G  30  73.336  46.847-100.850
  321    H8     G  30           H8         G  30  71.431  47.449 -97.600
  322    H1     G  30           H1         G  30  70.840  41.594-100.036
  323   1H2     G  30          1H2         G  30  72.075  43.053-102.947
  324   2H2     G  30          2H2         G  30  71.485  41.608-102.157
  325   1H5*    G  31          1H5*        G  31  68.665  51.159-104.640
  326   2H5*    G  31          2H5*        G  31  70.324  50.832-104.147
  327    H4*    G  31           H4*        G  31  69.851  49.318-105.943
  328    H3*    G  31           H3*        G  31  67.246  49.083-104.504
  329   1H2*    G  31          1H2*        G  31  67.018  46.815-104.843
  330   2HO*    G  31          2HO*        G  31  68.544  45.749-106.376
  331    H1*    G  31           H1*        G  31  69.640  46.058-104.628
  332    H8     G  31           H8         G  31  68.687  48.564-101.947
  333    H1     G  31           H1         G  31  67.347  42.514-100.446
  334   1H2     G  31          1H2         G  31  67.745  41.912-103.850
  335   2H2     G  31          2H2         G  31  67.370  41.260-102.271
  336   1H5*    G  32          1H5*        G  32  65.233  46.918-108.926
  337   2H5*    G  32          2H5*        G  32  66.905  47.131-108.435
  338    H4*    G  32           H4*        G  32  66.758  44.833-108.482
  339    H3*    G  32           H3*        G  32  63.910  45.289-107.677
  340   1H2*    G  32          1H2*        G  32  63.734  43.342-106.521
  341   2HO*    G  32          2HO*        G  32  65.397  41.647-106.827
  342    H1*    G  32           H1*        G  32  66.355  43.127-105.634
  343    H8     G  32           H8         G  32  64.817  46.479-104.931
  344    H1     G  32           H1         G  32  63.346  42.115-100.551
  345   1H2     G  32          1H2         G  32  64.347  39.796-102.936
  346   2H2     G  32          2H2         G  32  63.705  40.085-101.332
  347   1H5*    U  33          1H5*        U  33  64.713  40.638-110.022
  348   2H5*    U  33          2H5*        U  33  62.997  40.649-109.518
  349    H4*    U  33           H4*        U  33  63.931  38.951-111.381
  350    H3*    U  33           H3*        U  33  64.243  41.252-112.810
  351   1H2*    U  33          1H2*        U  33  62.119  42.090-112.723
  352   2HO*    U  33          2HO*        U  33  60.994  41.490-114.638
  353    H1*    U  33           H1*        U  33  60.727  39.466-113.028
  354    H3     U  33           H3         U  33  56.945  41.721-112.211
  355    H5     U  33           H5         U  33  59.523  43.077-109.164
  356    H6     U  33           H6         U  33  61.292  41.750-110.162
  357   1H5*    C  34          1H5*        C  34  66.747  37.655-114.202
  358   2H5*    C  34          2H5*        C  34  67.149  38.469-115.745
  359    H4*    C  34           H4*        C  34  69.216  38.044-114.573
  360    H3*    C  34           H3*        C  34  67.674  39.091-112.230
  361   1H2*    C  34          1H2*        C  34  69.381  40.368-111.407
  362   2HO*    C  34          2HO*        C  34  71.163  38.881-113.072
  363    H1*    C  34           H1*        C  34  70.587  41.162-113.749
  364   1H4     C  34          1H4         C  34  65.692  44.959-111.371
  365   2H4     C  34          2H4         C  34  67.115  45.971-111.484
  366    H5     C  34           H5         C  34  65.672  42.630-112.059
  367    H6     C  34           H6         C  34  66.966  40.820-112.984
  368   1H5*    A  35          1H5*        A  35  72.073  36.503-110.834
  369   2H5*    A  35          2H5*        A  35  70.994  37.420-111.923
  370    H4*    A  35           H4*        A  35  72.641  38.972-111.546
  371    H3*    A  35           H3*        A  35  73.382  37.369-109.368
  372   1H2*    A  35          1H2*        A  35  72.335  38.407-107.686
  373   2HO*    A  35          2HO*        A  35  74.235  40.454-108.312
  374    H1*    A  35           H1*        A  35  72.114  41.110-108.892
  375    H8     A  35           H8         A  35  69.094  39.244-109.202
  376   1H6     A  35          1H6         A  35  66.952  39.793-104.926
  377   2H6     A  35          2H6         A  35  67.506  40.386-103.378
  378    H2     A  35           H2         A  35  71.842  41.496-103.882
  379   1H5*    U  36          1H5*        U  36  77.752  40.743-110.477
  380   2H5*    U  36          2H5*        U  36  76.021  40.669-110.757
  381    H4*    U  36           H4*        U  36  76.429  42.863-110.031
  382    H3*    U  36           H3*        U  36  78.266  41.568-108.032
  383   1H2*    U  36          1H2*        U  36  77.853  43.232-106.489
  384   2HO*    U  36          2HO*        U  36  77.240  44.746-108.779
  385    H1*    U  36           H1*        U  36  75.219  43.769-107.185
  386    H3     U  36           H3         U  36  75.476  42.723-102.757
  387    H5     U  36           H5         U  36  75.076  39.073-104.812
  388    H6     U  36           H6         U  36  75.486  40.255-106.886
  389   1H5*    C  37          1H5*        C  37  81.574  45.575-108.674
  390   2H5*    C  37          2H5*        C  37  79.926  45.108-109.085
  391    H4*    C  37           H4*        C  37  79.847  46.516-107.144
  392    H3*    C  37           H3*        C  37  81.940  44.624-106.074
  393   1H2*    C  37          1H2*        C  37  81.131  44.907-103.930
  394   2HO*    C  37          2HO*        C  37  79.724  46.682-103.413
  395    H1*    C  37           H1*        C  37  78.449  45.299-104.620
  396   1H4     C  37          1H4         C  37  78.739  39.809-101.526
  397   2H4     C  37          2H4         C  37  78.867  38.979-103.062
  398    H5     C  37           H5         C  37  79.315  40.116-105.138
  399    H6     C  37           H6         C  37  79.501  42.300-106.218
  400   1H5*    G  38          1H5*        G  38  85.236  48.637-104.321
  401   2H5*    G  38          2H5*        G  38  83.535  48.811-104.736
  402    H4*    G  38           H4*        G  38  83.706  49.460-102.461
  403    H3*    G  38           H3*        G  38  85.574  47.122-102.285
  404   1H2*    G  38          1H2*        G  38  84.886  46.507-100.177
  405   2HO*    G  38          2HO*        G  38  83.851  49.153-100.026
  406    H1*    G  38           H1*        G  38  82.218  47.064-100.388
  407    H8     G  38           H8         G  38  83.466  45.376-103.527
  408    H1     G  38           H1         G  38  81.980  41.301 -98.859
  409   1H2     G  38          1H2         G  38  82.127  44.092 -96.783
  410   2H2     G  38          2H2         G  38  81.864  42.369 -96.921
  411   1H5*    G  39          1H5*        G  39  88.195  49.255 -98.355
  412   2H5*    G  39          2H5*        G  39  86.611  49.476 -99.086
  413    H4*    G  39           H4*        G  39  86.270  48.384 -96.993
  414    H3*    G  39           H3*        G  39  88.501  46.579 -97.916
  415   1H2*    G  39          1H2*        G  39  87.576  44.788 -96.779
  416   2HO*    G  39          2HO*        G  39  85.853  45.123 -95.243
  417    H1*    G  39           H1*        G  39  84.928  45.398 -97.225
  418    H8     G  39           H8         G  39  86.776  45.597-100.480
  419    H1     G  39           H1         G  39  85.395  39.620 -98.737
  420   1H2     G  39          1H2         G  39  84.902  39.555 -96.576
  421   2H2     G  39          2H2         G  39  84.900  40.986 -95.570
  422   1H5*    A  40          1H5*        A  40  91.193  46.409 -93.242
  423   2H5*    A  40          2H5*        A  40  89.522  46.936 -93.405
  424    H4*    A  40           H4*        A  40  89.274  45.052 -92.082
  425    H3*    A  40           H3*        A  40  91.669  44.052 -93.572
  426   1H2*    A  40          1H2*        A  40  91.006  41.862 -93.507
  427   2HO*    A  40          2HO*        A  40  89.440  41.146 -91.939
  428    H1*    A  40           H1*        A  40  88.244  42.230 -93.409
  429    H8     A  40           H8         A  40  89.694  43.914 -96.430
  430   1H6     A  40          1H6         A  40  88.727  38.569 -99.329
  431   2H6     A  40          2H6         A  40  88.960  40.290 -99.535
  432    H2     A  40           H2         A  40  88.593  37.799 -94.898
  433   1H5*    A  41          1H5*        A  41  91.807  41.477 -88.826
  434   2H5*    A  41          2H5*        A  41  90.545  42.264 -89.819
  435    H4*    A  41           H4*        A  41  89.786  40.042 -89.225
  436    H3*    A  41           H3*        A  41  92.543  39.275 -90.086
  437   1H2*    A  41          1H2*        A  41  91.888  37.368 -91.182
  438   2HO*    A  41          2HO*        A  41  89.391  37.553 -89.812
  439    H1*    A  41           H1*        A  41  89.489  38.196 -92.181
  440    H8     A  41           H8         A  41  92.435  40.610 -92.408
  441   1H6     A  41          1H6         A  41  94.219  39.234 -96.678
  442   2H6     A  41          2H6         A  41  93.848  37.909 -97.756
  443    H2     A  41           H2         A  41  90.510  35.582 -95.856
  444   1H5*    C  42          1H5*        C  42  92.622  35.245 -87.245
  445   2H5*    C  42          2H5*        C  42  91.511  35.595 -88.601
  446    H4*    C  42           H4*        C  42  92.648  33.347 -88.704
  447    H3*    C  42           H3*        C  42  95.032  35.156 -88.790
  448   1H2*    C  42          1H2*        C  42  96.034  34.020 -90.470
  449   2HO*    C  42          2HO*        C  42  95.560  31.838 -90.943
  450    H1*    C  42           H1*        C  42  93.835  33.035 -91.787
  451   1H4     C  42          1H4         C  42  96.230  37.397 -95.699
  452   2H4     C  42          2H4         C  42  96.002  38.663 -94.514
  453    H5     C  42           H5         C  42  95.121  38.263 -92.310
  454    H6     C  42           H6         C  42  94.293  36.558 -90.754
  455   1H5*    C  43          1H5*        C  43  97.887  31.139 -87.808
  456   2H5*    C  43          2H5*        C  43  96.527  31.360 -88.946
  457    H4*    C  43           H4*        C  43  98.645  30.450 -89.970
  458    H3*    C  43           H3*        C  43  99.615  33.113 -89.002
  459   1H2*    C  43          1H2*        C  43 100.789  33.548 -90.918
  460   2HO*    C  43          2HO*        C  43 100.681  30.758 -91.503
  461    H1*    C  43           H1*        C  43  99.181  32.118 -92.734
  462   1H4     C  43          1H4         C  43  98.342  38.276 -94.043
  463   2H4     C  43          2H4         C  43  97.615  38.558 -92.477
  464    H5     C  43           H5         C  43  97.408  36.852 -90.792
  465    H6     C  43           H6         C  43  97.810  34.488 -90.258
  466   1H5*    A  44          1H5*        A  44 102.626  28.779 -86.412
  467   2H5*    A  44          2H5*        A  44 101.612  28.945 -87.877
  468    H4*    A  44           H4*        A  44 103.831  28.039 -88.423
  469    H3*    A  44           H3*        A  44 104.698  30.194 -86.654
  470   1H2*    A  44          1H2*        A  44 105.625  31.548 -88.149
  471   2HO*    A  44          2HO*        A  44 106.990  29.226 -89.098
  472    H1*    A  44           H1*        A  44 105.367  29.820 -90.532
  473    H8     A  44           H8         A  44 102.575  32.182 -89.844
  474   1H6     A  44          1H6         A  44 104.096  36.052 -92.307
  475   2H6     A  44          2H6         A  44 105.618  36.462 -93.065
  476    H2     A  44           H2         A  44 108.398  33.000 -92.369
  477    H3T    A  44           H3T        A  44 106.603  28.910 -86.732
   
  Start of MODEL   21
    1   1H5*    G   1          1H5*        G   1  61.559  38.107-111.627
    2   2H5*    G   1          2H5*        G   1  62.044  39.444-110.551
    3    H4*    G   1           H4*        G   1  62.053  36.804-109.846
    4    H3*    G   1           H3*        G   1  59.348  37.942-109.270
    5   1H2*    G   1          1H2*        G   1  59.305  37.165-107.086
    6   2HO*    G   1          2HO*        G   1  61.013  35.275-108.127
    7    H1*    G   1           H1*        G   1  61.881  37.605-106.431
    8    H8     G   1           H8         G   1  61.027  40.607-108.392
    9    H1     G   1           H1         G   1  59.186  40.980-102.309
   10   1H2     G   1          1H2         G   1  59.442  37.509-102.328
   11   2H2     G   1          2H2         G   1  59.054  38.956-101.425
   12    H5T    G   1           H5T        G   1  60.123  40.154-110.648
   13   1H5*    G   2          1H5*        G   2  56.315  34.556-108.276
   14   2H5*    G   2          2H5*        G   2  58.054  34.551-108.039
   15    H4*    G   2           H4*        G   2  57.313  35.007-105.910
   16    H3*    G   2           H3*        G   2  55.080  36.518-107.244
   17   1H2*    G   2          1H2*        G   2  54.843  37.874-105.383
   18   2HO*    G   2          2HO*        G   2  55.923  35.640-104.027
   19    H1*    G   2           H1*        G   2  57.494  37.676-104.454
   20    H8     G   2           H8         G   2  57.421  39.332-107.790
   21    H1     G   2           H1         G   2  55.702  43.180-103.013
   22   1H2     G   2          1H2         G   2  55.260  40.221-101.224
   23   2H2     G   2          2H2         G   2  55.173  41.969-101.231
   24   1H5*    G   3          1H5*        G   3  51.120  34.180-104.254
   25   2H5*    G   3          2H5*        G   3  52.836  33.971-103.918
   26    H4*    G   3           H4*        G   3  52.142  35.056-101.988
   27    H3*    G   3           H3*        G   3  50.121  36.272-103.819
   28   1H2*    G   3          1H2*        G   3  50.058  38.282-102.748
   29   2HO*    G   3          2HO*        G   3  51.010  38.369-100.505
   30    H1*    G   3           H1*        G   3  52.609  38.315-101.662
   31    H8     G   3           H8         G   3  52.658  37.943-105.406
   32    H1     G   3           H1         G   3  52.065  43.963-103.391
   33   1H2     G   3          1H2         G   3  51.210  42.523-100.340
   34   2H2     G   3          2H2         G   3  51.445  43.987-101.267
   35   1H5*    A   4          1H5*        A   4  46.130  36.178 -99.996
   36   2H5*    A   4          2H5*        A   4  47.765  35.843 -99.440
   37    H4*    A   4           H4*        A   4  47.218  37.590 -98.043
   38    H3*    A   4           H3*        A   4  45.414  38.444-100.280
   39   1H2*    A   4          1H2*        A   4  45.578  40.680 -99.795
   40   2HO*    A   4          2HO*        A   4  46.426  39.799 -97.230
   41    H1*    A   4           H1*        A   4  48.190  40.776 -98.951
   42    H8     A   4           H8         A   4  47.922  38.775-102.103
   43   1H6     A   4          1H6         A   4  48.516  44.103-105.129
   44   2H6     A   4          2H6         A   4  48.627  42.362-105.258
   45    H2     A   4           H2         A   4  47.547  45.028-100.838
   46   1H5*    G   5          1H5*        G   5  41.314  40.277 -97.956
   47   2H5*    G   5          2H5*        G   5  42.894  40.190 -97.194
   48    H4*    G   5           H4*        G   5  42.682  42.467 -97.492
   49    H3*    G   5           H3*        G   5  41.063  41.716 -99.894
   50   1H2*    G   5          1H2*        G   5  41.640  43.612-101.060
   51   2HO*    G   5          2HO*        G   5  42.532  45.464 -99.905
   52    H1*    G   5           H1*        G   5  44.164  44.052 -99.901
   53    H8     G   5           H8         G   5  44.039  40.641-101.418
   54    H1     G   5           H1         G   5  45.139  45.241-105.687
   55   1H2     G   5          1H2         G   5  44.600  47.221-104.863
   56   2H2     G   5          2H2         G   5  43.966  47.412-103.238
   57   1H5*    C   6          1H5*        C   6  36.619  43.359 -99.444
   58   2H5*    C   6          2H5*        C   6  37.710  44.543-100.219
   59    H4*    C   6           H4*        C   6  35.822  43.863-101.684
   60    H3*    C   6           H3*        C   6  36.983  41.165-101.138
   61   1H2*    C   6          1H2*        C   6  36.839  40.462-103.306
   62   2HO*    C   6          2HO*        C   6  35.333  42.230-104.575
   63    H1*    C   6           H1*        C   6  37.057  42.936-104.611
   64   1H4     C   6          1H4         C   6  42.417  39.834-105.969
   65   2H4     C   6          2H4         C   6  42.680  39.427-104.289
   66    H5     C   6           H5         C   6  41.175  40.065-102.533
   67    H6     C   6           H6         C   6  39.156  41.331-101.968
   68   1H5*    U   7          1H5*        U   7  32.470  38.592-102.187
   69   2H5*    U   7          2H5*        U   7  32.924  40.179-102.879
   70    H4*    U   7           H4*        U   7  32.781  38.881-104.792
   71    H3*    U   7           H3*        U   7  33.612  36.650-102.987
   72   1H2*    U   7          1H2*        U   7  34.813  35.535-104.594
   73   2HO*    U   7          2HO*        U   7  34.026  36.756-106.876
   74    H1*    U   7           H1*        U   7  35.472  37.727-106.245
   75    H3     U   7           H3         U   7  39.542  36.013-105.590
   76    H5     U   7           H5         U   7  38.300  36.972-101.680
   77    H6     U   7           H6         U   7  36.153  37.630-102.586
   78   1H5*    C   8          1H5*        C   8  33.416  33.526-103.654
   79   2H5*    C   8          2H5*        C   8  32.012  32.621-103.010
   80    H4*    C   8           H4*        C   8  32.928  31.058-104.449
   81    H3*    C   8           H3*        C   8  33.815  33.448-106.015
   82   1H2*    C   8          1H2*        C   8  33.653  32.410-108.035
   83   2HO*    C   8          2HO*        C   8  34.287  30.184-106.528
   84    H1*    C   8           H1*        C   8  31.569  30.645-107.478
   85   1H4     C   8          1H4         C   8  29.234  34.999-111.422
   86   2H4     C   8          2H4         C   8  29.155  36.162-110.118
   87    H5     C   8           H5         C   8  29.973  35.695-107.896
   88    H6     C   8           H6         C   8  31.088  34.090-106.465
   89   1H5*    A   9          1H5*        A   9  36.980  31.042-108.403
   90   2H5*    A   9          2H5*        A   9  35.215  31.005-108.658
   91    H4*    A   9           H4*        A   9  36.712  31.374-110.709
   92    H3*    A   9           H3*        A   9  37.080  33.953-109.223
   93   1H2*    A   9          1H2*        A   9  36.868  35.211-111.138
   94   2HO*    A   9          2HO*        A   9  37.974  32.945-112.298
   95    H1*    A   9           H1*        A   9  35.170  33.491-112.572
   96    H8     A   9           H8         A   9  33.190  34.162-109.673
   97   1H6     A   9          1H6         A   9  32.370  39.995-111.412
   98   2H6     A   9          2H6         A   9  31.796  38.715-110.367
   99    H2     A   9           H2         A   9  35.790  38.305-113.790
  100   1H5*    A  10          1H5*        A  10  42.031  34.488-111.405
  101   2H5*    A  10          2H5*        A  10  40.643  33.478-111.913
  102    H4*    A  10           H4*        A  10  40.769  34.953-113.692
  103    H3*    A  10           H3*        A  10  41.898  36.851-111.686
  104   1H2*    A  10          1H2*        A  10  40.963  38.711-112.623
  105   2HO*    A  10          2HO*        A  10  41.290  38.836-114.695
  106    H1*    A  10           H1*        A  10  38.608  37.650-113.591
  107    H8     A  10           H8         A  10  38.933  36.518-110.057
  108   1H6     A  10          1H6         A  10  37.370  42.198-108.266
  109   2H6     A  10          2H6         A  10  37.585  40.541-107.748
  110    H2     A  10           H2         A  10  38.316  42.310-112.660
  111   1H5*    C  11          1H5*        C  11  45.028  39.532-114.780
  112   2H5*    C  11          2H5*        C  11  43.559  38.648-115.293
  113    H4*    C  11           H4*        C  11  42.978  40.907-115.573
  114    H3*    C  11           H3*        C  11  44.617  41.282-113.109
  115   1H2*    C  11          1H2*        C  11  43.308  42.893-112.222
  116   2HO*    C  11          2HO*        C  11  43.246  44.337-113.908
  117    H1*    C  11           H1*        C  11  40.844  42.157-113.282
  118   1H4     C  11          1H4         C  11  41.911  39.652-107.240
  119   2H4     C  11          2H4         C  11  40.767  40.961-107.036
  120    H5     C  11           H5         C  11  42.893  39.077-109.359
  121    H6     C  11           H6         C  11  43.047  39.684-111.730
  122   1H5*    U  12          1H5*        U  12  45.898  45.972-114.852
  123   2H5*    U  12          2H5*        U  12  44.606  46.372-116.019
  124    H4*    U  12           H4*        U  12  44.438  48.208-114.674
  125    H3*    U  12           H3*        U  12  45.541  46.458-112.482
  126   1H2*    U  12          1H2*        U  12  44.510  47.730-110.849
  127   2HO*    U  12          2HO*        U  12  43.584  49.891-112.009
  128    H1*    U  12           H1*        U  12  42.290  48.598-112.355
  129    H3     U  12           H3         U  12  39.919  46.686-109.123
  130    H5     U  12           H5         U  12  42.984  43.871-109.743
  131    H6     U  12           H6         U  12  43.791  45.242-111.584
  132   1H5*    C  13          1H5*        C  13  48.221  51.070-111.720
  133   2H5*    C  13          2H5*        C  13  46.779  50.340-112.421
  134    H4*    C  13           H4*        C  13  46.137  51.861-110.638
  135    H3*    C  13           H3*        C  13  48.219  50.332-109.128
  136   1H2*    C  13          1H2*        C  13  46.992  50.274-107.175
  137   2HO*    C  13          2HO*        C  13  45.645  52.476-108.309
  138    H1*    C  13           H1*        C  13  44.516  49.953-108.195
  139   1H4     C  13          1H4         C  13  46.040  44.000-106.748
  140   2H4     C  13          2H4         C  13  46.742  43.810-108.339
  141    H5     C  13           H5         C  13  47.170  45.662-109.818
  142    H6     C  13           H6         C  13  46.830  48.057-110.175
  143   1H5*    U  14          1H5*        U  14  49.979  53.409-105.622
  144   2H5*    U  14          2H5*        U  14  48.312  53.645-106.134
  145    H4*    U  14           H4*        U  14  47.976  52.919-103.984
  146    H3*    U  14           H3*        U  14  50.521  51.367-104.370
  147   1H2*    U  14          1H2*        U  14  49.877  49.757-102.850
  148   2HO*    U  14          2HO*        U  14  48.049  51.720-101.890
  149    H1*    U  14           H1*        U  14  47.133  49.832-103.317
  150    H3     U  14           H3         U  14  48.461  45.560-103.982
  151    H5     U  14           H5         U  14  49.497  47.585-107.527
  152    H6     U  14           H6         U  14  49.040  49.672-106.390
  153   1H5*    C  15          1H5*        C  15  52.170  52.172 -99.477
  154   2H5*    C  15          2H5*        C  15  50.604  52.450-100.225
  155    H4*    C  15           H4*        C  15  50.174  50.601 -98.907
  156    H3*    C  15           H3*        C  15  53.014  49.862 -99.529
  157   1H2*    C  15          1H2*        C  15  52.586  47.611 -99.361
  158   2HO*    C  15          2HO*        C  15  50.476  48.456 -97.703
  159    H1*    C  15           H1*        C  15  49.946  47.631-100.203
  160   1H4     C  15          1H4         C  15  52.820  44.749-104.986
  161   2H4     C  15          2H4         C  15  53.099  46.306-105.739
  162    H5     C  15           H5         C  15  52.787  48.404-104.585
  163    H6     C  15           H6         C  15  51.978  49.460-102.529
  164   1H5*    C  16          1H5*        C  16  54.448  47.725 -95.184
  165   2H5*    C  16          2H5*        C  16  52.803  48.067 -95.698
  166    H4*    C  16           H4*        C  16  52.902  45.777 -95.965
  167    H3*    C  16           H3*        C  16  55.780  46.245 -96.701
  168   1H2*    C  16          1H2*        C  16  55.805  44.355 -98.008
  169   2HO*    C  16          2HO*        C  16  53.720  43.509 -96.316
  170    H1*    C  16           H1*        C  16  53.144  44.315 -98.721
  171   1H4     C  16          1H4         C  16  56.256  46.802-103.879
  172   2H4     C  16          2H4         C  16  56.301  45.064-104.098
  173    H5     C  16           H5         C  16  55.568  47.858-101.807
  174    H6     C  16           H6         C  16  54.639  47.462 -99.568
  175   1H5*    C  17          1H5*        C  17  57.737  42.174 -93.740
  176   2H5*    C  17          2H5*        C  17  56.028  42.426 -94.065
  177    H4*    C  17           H4*        C  17  56.372  40.410 -95.130
  178    H3*    C  17           H3*        C  17  59.153  41.437 -95.554
  179   1H2*    C  17          1H2*        C  17  59.440  40.276 -97.518
  180   2HO*    C  17          2HO*        C  17  57.617  38.518 -96.324
  181    H1*    C  17           H1*        C  17  56.762  40.195 -98.350
  182   1H4     C  17          1H4         C  17  59.100  45.288-101.651
  183   2H4     C  17          2H4         C  17  59.421  43.898-102.665
  184    H5     C  17           H5         C  17  58.406  45.107 -99.347
  185    H6     C  17           H6         C  17  57.741  43.554 -97.568
  186   1H5*    C  18          1H5*        C  18  61.285  36.715 -94.671
  187   2H5*    C  18          2H5*        C  18  59.666  37.290 -95.052
  188    H4*    C  18           H4*        C  18  60.430  36.303 -97.042
  189    H3*    C  18           H3*        C  18  63.038  37.586 -96.307
  190   1H2*    C  18          1H2*        C  18  63.622  37.962 -98.491
  191   2HO*    C  18          2HO*        C  18  62.623  36.806-100.227
  192    H1*    C  18           H1*        C  18  61.058  38.292 -99.562
  193   1H4     C  18          1H4         C  18  63.502  44.094 -99.863
  194   2H4     C  18          2H4         C  18  62.874  44.416 -98.262
  195    H5     C  18           H5         C  18  62.042  42.690 -96.802
  196    H6     C  18           H6         C  18  61.438  40.323 -96.636
  197   1H5*    C  19          1H5*        C  19  65.717  33.615 -98.538
  198   2H5*    C  19          2H5*        C  19  64.033  34.124 -98.570
  199    H4*    C  19           H4*        C  19  64.808  34.698-100.698
  200    H3*    C  19           H3*        C  19  67.339  35.326 -99.237
  201   1H2*    C  19          1H2*        C  19  67.897  37.074-100.603
  202   2HO*    C  19          2HO*        C  19  66.801  37.266-102.722
  203    H1*    C  19           H1*        C  19  65.346  37.849-101.393
  204   1H4     C  19          1H4         C  19  67.212  42.786 -97.990
  205   2H4     C  19          2H4         C  19  66.652  41.987 -96.535
  206    H5     C  19           H5         C  19  66.047  39.648 -96.461
  207    H6     C  19           H6         C  19  65.649  37.636 -97.801
  208   1H5*    C  20          1H5*        C  20  70.660  33.772-103.180
  209   2H5*    C  20          2H5*        C  20  68.971  34.005-103.605
  210    H4*    C  20           H4*        C  20  69.980  35.501-105.045
  211    H3*    C  20           H3*        C  20  72.057  35.660-102.906
  212   1H2*    C  20          1H2*        C  20  72.614  37.814-103.307
  213   2HO*    C  20          2HO*        C  20  71.687  38.797-105.376
  214    H1*    C  20           H1*        C  20  70.186  38.801-104.104
  215   1H4     C  20          1H4         C  20  70.800  41.032 -98.263
  216   2H4     C  20          2H4         C  20  70.161  39.529 -97.626
  217    H5     C  20           H5         C  20  69.875  37.553 -98.988
  218    H6     C  20           H6         C  20  69.901  36.653-101.278
  219   1H5*    C  21          1H5*        C  21  75.477  35.897-105.215
  220   2H5*    C  21          2H5*        C  21  74.354  36.842-104.194
  221    H4*    C  21           H4*        C  21  77.063  36.970-104.017
  222    H3*    C  21           H3*        C  21  76.124  34.712-102.298
  223   1H2*    C  21          1H2*        C  21  77.226  35.464-100.417
  224   2HO*    C  21          2HO*        C  21  79.162  35.732-102.048
  225    H1*    C  21           H1*        C  21  77.389  38.214-101.114
  226   1H4     C  21          1H4         C  21  74.248  37.666 -95.635
  227   2H4     C  21          2H4         C  21  72.878  38.327 -96.498
  228    H5     C  21           H5         C  21  72.860  38.643 -98.879
  229    H6     C  21           H6         C  21  74.066  38.258-100.988
  230   1H5*    U  22          1H5*        U  22  79.889  33.769-106.281
  231   2H5*    U  22          2H5*        U  22  79.740  35.223-107.314
  232    H4*    U  22           H4*        U  22  80.807  36.581-105.556
  233    H3*    U  22           H3*        U  22  82.063  34.640-107.176
  234   1H2*    U  22          1H2*        U  22  82.718  33.148-105.609
  235   2HO*    U  22          2HO*        U  22  84.674  33.846-104.503
  236    H1*    U  22           H1*        U  22  82.861  35.049-103.328
  237    H3     U  22           H3         U  22  83.867  30.817-101.744
  238    H5     U  22           H5         U  22  79.685  30.946-102.247
  239    H6     U  22           H6         U  22  79.953  33.054-103.408
  240   1H5*    U  23          1H5*        U  23  85.820  34.231-107.372
  241   2H5*    U  23          2H5*        U  23  86.349  35.256-108.738
  242    H4*    U  23           H4*        U  23  88.382  34.710-107.744
  243    H3*    U  23           H3*        U  23  86.777  34.650-105.238
  244   1H2*    U  23          1H2*        U  23  88.357  35.492-103.907
  245   2HO*    U  23          2HO*        U  23  89.892  33.847-104.703
  246    H1*    U  23           H1*        U  23  89.807  37.026-105.679
  247    H3     U  23           H3         U  23  88.517  39.782-102.311
  248    H5     U  23           H5         U  23  84.955  38.982-104.420
  249    H6     U  23           H6         U  23  86.189  37.392-105.769
  250   1H5*    U  24          1H5*        U  24  89.639  30.363-104.166
  251   2H5*    U  24          2H5*        U  24  90.019  32.034-104.679
  252    H4*    U  24           H4*        U  24  91.103  30.823-102.507
  253    H3*    U  24           H3*        U  24  88.565  32.171-101.634
  254   1H2*    U  24          1H2*        U  24  89.582  33.020 -99.773
  255   2HO*    U  24          2HO*        U  24  91.981  31.930 -99.645
  256    H1*    U  24           H1*        U  24  92.111  33.374-100.837
  257    H3     U  24           H3         U  24  91.374  37.670 -99.897
  258    H5     U  24           H5         U  24  87.773  36.518-101.755
  259    H6     U  24           H6         U  24  88.742  34.314-102.109
  260   1H5*    U  25          1H5*        U  25  86.336  29.103 -98.100
  261   2H5*    U  25          2H5*        U  25  88.038  28.793 -98.399
  262    H4*    U  25           H4*        U  25  88.095  29.473 -96.200
  263    H3*    U  25           H3*        U  25  85.850  31.309 -96.954
  264   1H2*    U  25          1H2*        U  25  86.335  32.661 -95.128
  265   2HO*    U  25          2HO*        U  25  87.620  30.350 -94.170
  266    H1*    U  25           H1*        U  25  89.049  32.378 -95.272
  267    H3     U  25           H3         U  25  87.989  36.788 -95.659
  268    H5     U  25           H5         U  25  87.673  35.194 -99.542
  269    H6     U  25           H6         U  25  87.880  32.974 -98.586
  270   1H5*    C  26          1H5*        C  26  82.299  30.523 -92.635
  271   2H5*    C  26          2H5*        C  26  83.771  30.463 -91.715
  272    H4*    C  26           H4*        C  26  83.626  32.679 -91.835
  273    H3*    C  26           H3*        C  26  82.042  32.435 -94.396
  274   1H2*    C  26          1H2*        C  26  82.303  34.770 -94.536
  275   2HO*    C  26          2HO*        C  26  83.520  35.243 -92.140
  276    H1*    C  26           H1*        C  26  84.804  34.826 -93.298
  277   1H4     C  26          1H4         C  26  85.667  36.926 -99.185
  278   2H4     C  26          2H4         C  26  85.525  35.301 -99.830
  279    H5     C  26           H5         C  26  84.827  33.396 -98.485
  280    H6     C  26           H6         C  26  84.282  32.646 -96.211
  281   1H5*    C  27          1H5*        C  27  78.306  35.284 -91.368
  282   2H5*    C  27          2H5*        C  27  79.888  34.593 -91.022
  283    H4*    C  27           H4*        C  27  80.279  36.865 -90.740
  284    H3*    C  27           H3*        C  27  78.257  37.183 -92.932
  285   1H2*    C  27          1H2*        C  27  79.230  39.082 -93.764
  286   2HO*    C  27          2HO*        C  27  80.670  40.360 -92.497
  287    H1*    C  27           H1*        C  27  81.891  38.526 -93.068
  288   1H4     C  27          1H4         C  27  81.824  38.118 -99.353
  289   2H4     C  27          2H4         C  27  81.465  36.410 -99.214
  290    H5     C  27           H5         C  27  80.775  35.372 -97.143
  291    H6     C  27           H6         C  27  80.461  35.717 -94.733
  292   1H5*    G  28          1H5*        G  28  75.748  41.470 -91.258
  293   2H5*    G  28          2H5*        G  28  77.337  40.999 -90.674
  294    H4*    G  28           H4*        G  28  77.863  42.921 -91.834
  295    H3*    G  28           H3*        G  28  75.520  42.175 -93.537
  296   1H2*    G  28          1H2*        G  28  76.395  43.084 -95.451
  297   2HO*    G  28          2HO*        G  28  78.238  44.606 -95.248
  298    H1*    G  28           H1*        G  28  79.115  42.779 -94.879
  299    H8     G  28           H8         G  28  77.309  39.481 -94.703
  300    H1     G  28           H1         G  28  78.963  41.197-100.617
  301   1H2     G  28          1H2         G  28  79.344  44.379 -99.242
  302   2H2     G  28          2H2         G  28  79.426  43.368-100.668
  303   1H5*    A  29          1H5*        A  29  74.125  47.544 -93.788
  304   2H5*    A  29          2H5*        A  29  75.604  46.897 -93.087
  305    H4*    A  29           H4*        A  29  76.462  48.264 -94.749
  306    H3*    A  29           H3*        A  29  73.912  47.592 -96.155
  307   1H2*    A  29          1H2*        A  29  74.817  47.696 -98.260
  308   2HO*    A  29          2HO*        A  29  76.688  49.404 -97.023
  309    H1*    A  29           H1*        A  29  77.400  46.844 -97.683
  310    H8     A  29           H8         A  29  74.892  44.457 -96.236
  311   1H6     A  29          1H6         A  29  75.188  41.488-101.618
  312   2H6     A  29          2H6         A  29  74.753  41.357 -99.928
  313    H2     A  29           H2         A  29  76.968  45.578-102.181
  314   1H5*    G  30          1H5*        G  30  72.622  51.365 -98.927
  315   2H5*    G  30          2H5*        G  30  74.261  51.081 -98.354
  316    H4*    G  30           H4*        G  30  74.374  50.349-100.559
  317    H3*    G  30           H3*        G  30  71.529  49.538-100.096
  318   1H2*    G  30          1H2*        G  30  71.639  47.707-101.482
  319   2HO*    G  30          2HO*        G  30  73.507  47.459-102.925
  320    H1*    G  30           H1*        G  30  74.207  46.898-100.990
  321    H8     G  30           H8         G  30  72.432  47.695 -97.738
  322    H1     G  30           H1         G  30  71.217  41.888-100.066
  323   1H2     G  30          1H2         G  30  72.480  43.207-103.035
  324   2H2     G  30          2H2         G  30  71.786  41.830-102.212
  325   1H5*    G  31          1H5*        G  31  69.877  50.723-104.950
  326   2H5*    G  31          2H5*        G  31  71.494  50.510-104.285
  327    H4*    G  31           H4*        G  31  71.149  48.526-105.462
  328    H3*    G  31           H3*        G  31  68.316  48.868-104.564
  329   1H2*    G  31          1H2*        G  31  67.929  46.613-104.351
  330   2HO*    G  31          2HO*        G  31  69.495  45.105-105.396
  331    H1*    G  31           H1*        G  31  70.548  45.785-103.760
  332    H8     G  31           H8         G  31  69.382  48.380-101.299
  333    H1     G  31           H1         G  31  67.400  42.475 -99.926
  334   1H2     G  31          1H2         G  31  68.176  41.779-103.247
  335   2H2     G  31          2H2         G  31  67.558  41.189-101.722
  336   1H5*    G  32          1H5*        G  32  66.637  46.741-109.387
  337   2H5*    G  32          2H5*        G  32  68.302  46.717-108.825
  338    H4*    G  32           H4*        G  32  67.929  44.459-109.114
  339    H3*    G  32           H3*        G  32  65.095  45.197-108.527
  340   1H2*    G  32          1H2*        G  32  64.565  43.204-107.527
  341   2HO*    G  32          2HO*        G  32  66.770  42.190-109.004
  342    H1*    G  32           H1*        G  32  67.019  42.585-106.404
  343    H8     G  32           H8         G  32  66.012  46.135-105.676
  344    H1     G  32           H1         G  32  63.625  41.961-101.499
  345   1H2     G  32          1H2         G  32  64.458  39.555-103.868
  346   2H2     G  32          2H2         G  32  63.761  39.908-102.300
  347   1H5*    U  33          1H5*        U  33  62.668  42.003-110.470
  348   2H5*    U  33          2H5*        U  33  61.931  43.514-111.087
  349    H4*    U  33           H4*        U  33  61.394  41.038-112.079
  350    H3*    U  33           H3*        U  33  63.973  41.543-113.086
  351   1H2*    U  33          1H2*        U  33  63.500  43.107-114.664
  352   2HO*    U  33          2HO*        U  33  63.149  40.634-115.661
  353    H1*    U  33           H1*        U  33  60.696  42.257-115.176
  354    H3     U  33           H3         U  33  61.080  45.996-117.760
  355    H5     U  33           H5         U  33  61.403  47.377-113.791
  356    H6     U  33           H6         U  33  61.488  45.063-113.063
  357   1H5*    C  34          1H5*        C  34  65.471  39.479-111.006
  358   2H5*    C  34          2H5*        C  34  65.095  37.952-111.857
  359    H4*    C  34           H4*        C  34  67.309  37.563-111.887
  360    H3*    C  34           H3*        C  34  67.414  40.399-110.970
  361   1H2*    C  34          1H2*        C  34  69.599  40.754-111.675
  362   2HO*    C  34          2HO*        C  34  71.082  39.197-111.736
  363    H1*    C  34           H1*        C  34  69.607  39.045-113.890
  364   1H4     C  34          1H4         C  34  68.178  45.428-114.976
  365   2H4     C  34          2H4         C  34  69.479  45.010-116.068
  366    H5     C  34           H5         C  34  67.210  43.858-113.420
  367    H6     C  34           H6         C  34  67.151  41.557-112.697
  368   1H5*    A  35          1H5*        A  35  71.826  36.292-109.925
  369   2H5*    A  35          2H5*        A  35  70.888  37.097-111.213
  370    H4*    A  35           H4*        A  35  72.769  38.405-111.199
  371    H3*    A  35           H3*        A  35  73.281  37.238-108.695
  372   1H2*    A  35          1H2*        A  35  72.589  38.841-107.304
  373   2HO*    A  35          2HO*        A  35  74.584  40.564-108.302
  374    H1*    A  35           H1*        A  35  72.867  41.097-109.206
  375    H8     A  35           H8         A  35  69.638  40.727-109.237
  376   1H6     A  35          1H6         A  35  68.081  42.935-105.187
  377   2H6     A  35          2H6         A  35  68.852  43.215-103.648
  378    H2     A  35           H2         A  35  72.964  41.505-103.878
  379   1H5*    U  36          1H5*        U  36  78.281  39.448-110.193
  380   2H5*    U  36          2H5*        U  36  76.586  39.583-110.634
  381    H4*    U  36           H4*        U  36  77.199  41.776-110.151
  382    H3*    U  36           H3*        U  36  78.878  40.552-107.991
  383   1H2*    U  36          1H2*        U  36  78.620  42.376-106.603
  384   2HO*    U  36          2HO*        U  36  78.324  43.721-109.022
  385    H1*    U  36           H1*        U  36  76.089  43.150-107.361
  386    H3     U  36           H3         U  36  76.120  42.367-102.871
  387    H5     U  36           H5         U  36  75.355  38.667-104.725
  388    H6     U  36           H6         U  36  75.958  39.663-106.842
  389   1H5*    C  37          1H5*        C  37  82.517  44.162-108.441
  390   2H5*    C  37          2H5*        C  37  80.858  43.919-108.974
  391    H4*    C  37           H4*        C  37  80.726  45.330-107.083
  392    H3*    C  37           H3*        C  37  82.734  43.435-105.882
  393   1H2*    C  37          1H2*        C  37  81.849  43.719-103.773
  394   2HO*    C  37          2HO*        C  37  81.012  46.200-104.814
  395    H1*    C  37           H1*        C  37  79.204  44.252-104.532
  396   1H4     C  37          1H4         C  37  79.004  38.818-101.360
  397   2H4     C  37          2H4         C  37  79.156  37.953-102.876
  398    H5     C  37           H5         C  37  79.783  39.024-104.946
  399    H6     C  37           H6         C  37  80.176  41.171-106.046
  400   1H5*    G  38          1H5*        G  38  85.792  47.118-103.377
  401   2H5*    G  38          2H5*        G  38  84.218  47.605-103.990
  402    H4*    G  38           H4*        G  38  83.938  48.032-101.745
  403    H3*    G  38           H3*        G  38  85.915  45.809-101.385
  404   1H2*    G  38          1H2*        G  38  85.054  45.138 -99.368
  405   2HO*    G  38          2HO*        G  38  83.931  47.750 -99.270
  406    H1*    G  38           H1*        G  38  82.381  45.709 -99.808
  407    H8     G  38           H8         G  38  83.930  43.759-102.653
  408    H1     G  38           H1         G  38  82.052  40.102 -97.780
  409   1H2     G  38          1H2         G  38  82.000  43.082 -95.969
  410   2H2     G  38          2H2         G  38  81.763  41.348 -95.964
  411   1H5*    G  39          1H5*        G  39  87.937  47.738 -97.170
  412   2H5*    G  39          2H5*        G  39  86.507  48.024 -98.153
  413    H4*    G  39           H4*        G  39  85.646  46.657 -96.507
  414    H3*    G  39           H3*        G  39  88.400  45.515 -96.406
  415   1H2*    G  39          1H2*        G  39  87.634  43.337 -96.035
  416   2HO*    G  39          2HO*        G  39  85.659  43.025 -94.898
  417    H1*    G  39           H1*        G  39  84.948  43.691 -96.787
  418    H8     G  39           H8         G  39  87.040  43.657 -99.869
  419    H1     G  39           H1         G  39  85.580  37.895 -97.543
  420   1H2     G  39          1H2         G  39  84.963  38.088 -95.421
  421   2H2     G  39          2H2         G  39  84.908  39.631 -94.598
  422   1H5*    A  40          1H5*        A  40  89.968  45.652 -91.921
  423   2H5*    A  40          2H5*        A  40  89.024  46.429 -90.651
  424    H4*    A  40           H4*        A  40  88.744  44.427 -89.647
  425    H3*    A  40           H3*        A  40  90.332  43.474 -92.050
  426   1H2*    A  40          1H2*        A  40  89.907  41.231 -91.440
  427   2HO*    A  40          2HO*        A  40  88.881  42.388 -89.049
  428    H1*    A  40           H1*        A  40  87.293  41.539 -91.194
  429    H8     A  40           H8         A  40  88.531  43.910 -93.801
  430   1H6     A  40          1H6         A  40  88.359  39.120 -97.690
  431   2H6     A  40          2H6         A  40  88.376  40.866 -97.567
  432    H2     A  40           H2         A  40  88.064  37.520 -93.504
  433   1H5*    A  41          1H5*        A  41  93.052  40.653 -88.467
  434   2H5*    A  41          2H5*        A  41  91.480  41.510 -88.485
  435    H4*    A  41           H4*        A  41  90.819  39.271 -88.297
  436    H3*    A  41           H3*        A  41  93.280  38.774 -89.898
  437   1H2*    A  41          1H2*        A  41  92.423  37.081 -91.156
  438   2HO*    A  41          2HO*        A  41  90.143  36.373 -90.024
  439    H1*    A  41           H1*        A  41  89.743  37.795 -91.164
  440    H8     A  41           H8         A  41  91.790  40.683 -92.334
  441   1H6     A  41          1H6         A  41  92.424  39.450 -96.955
  442   2H6     A  41          2H6         A  41  92.116  37.978 -97.851
  443    H2     A  41           H2         A  41  90.404  35.015 -94.946
  444   1H5*    C  42          1H5*        C  42  94.094  34.575 -88.705
  445   2H5*    C  42          2H5*        C  42  93.050  35.383 -89.911
  446    H4*    C  42           H4*        C  42  94.754  33.425 -90.572
  447    H3*    C  42           H3*        C  42  96.392  35.910 -90.355
  448   1H2*    C  42          1H2*        C  42  97.294  35.721 -92.427
  449   2HO*    C  42          2HO*        C  42  97.683  33.793 -93.430
  450    H1*    C  42           H1*        C  42  95.343  34.277 -93.708
  451   1H4     C  42          1H4         C  42  95.415  39.960 -96.511
  452   2H4     C  42          2H4         C  42  95.083  40.767 -94.996
  453    H5     C  42           H5         C  42  94.829  39.606 -92.912
  454    H6     C  42           H6         C  42  94.874  37.419 -91.802
  455   1H5*    C  43          1H5*        C  43  99.557  32.108 -90.873
  456   2H5*    C  43          2H5*        C  43  98.288  33.112 -91.640
  457    H4*    C  43           H4*        C  43 100.392  32.257 -93.020
  458    H3*    C  43           H3*        C  43 101.384  34.515 -91.343
  459   1H2*    C  43          1H2*        C  43 102.363  35.646 -93.056
  460   2HO*    C  43          2HO*        C  43 102.344  33.175 -94.475
  461    H1*    C  43           H1*        C  43 100.650  34.928 -95.137
  462   1H4     C  43          1H4         C  43  99.498  40.995 -93.565
  463   2H4     C  43          2H4         C  43  98.795  40.502 -92.041
  464    H5     C  43           H5         C  43  98.713  38.223 -91.300
  465    H6     C  43           H6         C  43  99.229  35.878 -91.892
  466   1H5*    A  44          1H5*        A  44 104.595  29.980 -91.700
  467   2H5*    A  44          2H5*        A  44 103.714  31.272 -92.571
  468    H4*    A  44           H4*        A  44 106.251  30.566 -93.155
  469    H3*    A  44           H3*        A  44 106.432  32.117 -90.693
  470   1H2*    A  44          1H2*        A  44 106.981  34.090 -91.518
  471   2HO*    A  44          2HO*        A  44 109.010  32.576 -92.817
  472    H1*    A  44           H1*        A  44 107.296  33.363 -94.355
  473    H8     A  44           H8         A  44 104.275  34.638 -92.344
  474   1H6     A  44          1H6         A  44 104.104  39.131 -94.141
  475   2H6     A  44          2H6         A  44 105.131  40.009 -95.252
  476    H2     A  44           H2         A  44 108.456  37.225 -96.435
  477    H3T    A  44           H3T        A  44 108.802  31.620 -91.574
   
  Start of MODEL   22
    1   1H5*    G   1          1H5*        G   1  59.743  41.985-112.488
    2   2H5*    G   1          2H5*        G   1  60.505  42.902-111.166
    3    H4*    G   1           H4*        G   1  60.857  40.239-111.579
    4    H3*    G   1           H3*        G   1  58.342  40.607-110.038
    5   1H2*    G   1          1H2*        G   1  58.951  39.247-108.240
    6   2HO*    G   1          2HO*        G   1  60.556  37.738-108.368
    7    H1*    G   1           H1*        G   1  61.494  39.970-107.957
    8    H8     G   1           H8         G   1  59.899  43.127-109.065
    9    H1     G   1           H1         G   1  59.436  42.182-102.785
   10   1H2     G   1          1H2         G   1  60.134  38.855-103.503
   11   2H2     G   1          2H2         G   1  59.776  40.064-102.286
   12    H5T    G   1           H5T        G   1  57.899  41.814-111.219
   13   1H5*    G   2          1H5*        G   2  56.109  36.624-109.764
   14   2H5*    G   2          2H5*        G   2  57.815  37.045-109.791
   15    H4*    G   2           H4*        G   2  57.295  36.684-107.524
   16    H3*    G   2           H3*        G   2  54.826  38.329-108.070
   17   1H2*    G   2          1H2*        G   2  54.845  39.064-105.876
   18   2HO*    G   2          2HO*        G   2  56.191  37.919-104.291
   19    H1*    G   2           H1*        G   2  57.608  38.952-105.480
   20    H8     G   2           H8         G   2  56.752  41.255-108.301
   21    H1     G   2           H1         G   2  55.780  43.838-102.565
   22   1H2     G   2          1H2         G   2  55.923  40.553-101.414
   23   2H2     G   2          2H2         G   2  55.711  42.244-101.023
   24   1H5*    G   3          1H5*        G   3  51.976  34.709-105.154
   25   2H5*    G   3          2H5*        G   3  53.691  35.022-105.404
   26    H4*    G   3           H4*        G   3  53.260  35.571-103.133
   27    H3*    G   3           H3*        G   3  50.782  36.780-104.282
   28   1H2*    G   3          1H2*        G   3  50.794  38.582-102.856
   29   2HO*    G   3          2HO*        G   3  52.156  38.455-100.883
   30    H1*    G   3           H1*        G   3  53.522  38.744-102.366
   31    H8     G   3           H8         G   3  52.712  39.006-106.032
   32    H1     G   3           H1         G   3  52.132  44.484-102.830
   33   1H2     G   3          1H2         G   3  52.101  42.456-100.000
   34   2H2     G   3          2H2         G   3  52.011  44.076-100.655
   35   1H5*    A   4          1H5*        A   4  47.863  35.335 -99.757
   36   2H5*    A   4          2H5*        A   4  49.613  35.203 -99.642
   37    H4*    A   4           H4*        A   4  49.093  36.461 -97.749
   38    H3*    A   4           H3*        A   4  46.908  37.578 -99.468
   39   1H2*    A   4          1H2*        A   4  46.944  39.657 -98.455
   40   2HO*    A   4          2HO*        A   4  48.476  38.376 -96.412
   41    H1*    A   4           H1*        A   4  49.629  39.942 -98.194
   42    H8     A   4           H8         A   4  48.931  38.305-101.485
   43   1H6     A   4          1H6         A   4  48.258  43.986-103.775
   44   2H6     A   4          2H6         A   4  48.526  42.304-104.175
   45    H2     A   4           H2         A   4  48.103  44.240 -99.286
   46   1H5*    G   5          1H5*        G   5  42.790  38.038 -96.644
   47   2H5*    G   5          2H5*        G   5  44.408  38.181 -95.973
   48    H4*    G   5           H4*        G   5  43.613  40.367 -95.855
   49    H3*    G   5           H3*        G   5  42.219  39.699 -98.423
   50   1H2*    G   5          1H2*        G   5  42.378  41.855 -99.228
   51   2HO*    G   5          2HO*        G   5  42.467  42.500 -96.494
   52    H1*    G   5           H1*        G   5  44.772  42.591 -98.040
   53    H8     G   5           H8         G   5  45.157  39.359 -99.865
   54    H1     G   5           H1         G   5  45.446  44.429-103.696
   55   1H2     G   5          1H2         G   5  44.565  46.207-102.709
   56   2H2     G   5          2H2         G   5  43.917  46.138-101.083
   57   1H5*    C   6          1H5*        C   6  37.737  41.268 -97.648
   58   2H5*    C   6          2H5*        C   6  38.938  42.447 -98.254
   59    H4*    C   6           H4*        C   6  36.865  42.279 -99.660
   60    H3*    C   6           H3*        C   6  37.819  39.446 -99.799
   61   1H2*    C   6          1H2*        C   6  37.471  39.251-102.051
   62   2HO*    C   6          2HO*        C   6  36.034  40.635-103.181
   63    H1*    C   6           H1*        C   6  37.923  41.889-102.824
   64   1H4     C   6          1H4         C   6  43.035  38.752-104.881
   65   2H4     C   6          2H4         C   6  43.371  38.130-103.281
   66    H5     C   6           H5         C   6  41.977  38.579-101.374
   67    H6     C   6           H6         C   6  39.991  39.768-100.565
   68   1H5*    U   7          1H5*        U   7  32.877  37.863-100.613
   69   2H5*    U   7          2H5*        U   7  33.845  39.297-101.067
   70    H4*    U   7           H4*        U   7  33.196  38.210-103.098
   71    H3*    U   7           H3*        U   7  33.980  35.733-101.615
   72   1H2*    U   7          1H2*        U   7  34.961  34.738-103.438
   73   2HO*    U   7          2HO*        U   7  33.085  35.002-104.747
   74    H1*    U   7           H1*        U   7  35.722  37.060-104.847
   75    H3     U   7           H3         U   7  39.680  35.007-104.622
   76    H5     U   7           H5         U   7  38.743  35.674-100.569
   77    H6     U   7           H6         U   7  36.577  36.507-101.267
   78   1H5*    C   8          1H5*        C   8  32.722  32.259-102.298
   79   2H5*    C   8          2H5*        C   8  31.054  31.678-102.591
   80    H4*    C   8           H4*        C   8  32.621  30.534-104.072
   81    H3*    C   8           H3*        C   8  33.847  33.104-104.217
   82   1H2*    C   8          1H2*        C   8  32.994  33.917-106.111
   83   2HO*    C   8          2HO*        C   8  34.902  32.919-106.970
   84    H1*    C   8           H1*        C   8  31.885  31.451-107.260
   85   1H4     C   8          1H4         C   8  27.911  35.900-109.322
   86   2H4     C   8          2H4         C   8  27.945  36.712-107.773
   87    H5     C   8           H5         C   8  29.270  35.924-105.912
   88    H6     C   8           H6         C   8  30.840  34.248-105.133
   89   1H5*    A   9          1H5*        A   9  37.402  30.575-107.414
   90   2H5*    A   9          2H5*        A   9  35.656  30.300-107.677
   91    H4*    A   9           H4*        A   9  36.952  30.558-109.792
   92    H3*    A   9           H3*        A   9  37.625  33.171-108.491
   93   1H2*    A   9          1H2*        A   9  37.365  34.381-110.428
   94   2HO*    A   9          2HO*        A   9  37.500  31.927-111.873
   95    H1*    A   9           H1*        A   9  35.317  32.942-111.595
   96    H8     A   9           H8         A   9  33.770  33.464-108.446
   97   1H6     A   9          1H6         A   9  33.574  39.555-109.317
   98   2H6     A   9          2H6         A   9  32.958  38.223-108.365
   99    H2     A   9           H2         A   9  36.424  37.803-112.319
  100   1H5*    A  10          1H5*        A  10  42.329  33.497-110.836
  101   2H5*    A  10          2H5*        A  10  40.785  32.752-111.346
  102    H4*    A  10           H4*        A  10  41.071  34.507-112.867
  103    H3*    A  10           H3*        A  10  42.224  35.984-110.531
  104   1H2*    A  10          1H2*        A  10  41.391  38.013-111.223
  105   2HO*    A  10          2HO*        A  10  40.988  36.862-113.797
  106    H1*    A  10           H1*        A  10  39.034  37.181-112.385
  107    H8     A  10           H8         A  10  39.222  35.642-108.991
  108   1H6     A  10          1H6         A  10  37.865  41.145-106.590
  109   2H6     A  10          2H6         A  10  38.003  39.432-106.260
  110    H2     A  10           H2         A  10  38.895  41.718-110.929
  111   1H5*    C  11          1H5*        C  11  45.473  38.884-113.322
  112   2H5*    C  11          2H5*        C  11  43.887  38.216-113.811
  113    H4*    C  11           H4*        C  11  43.711  40.615-113.834
  114    H3*    C  11           H3*        C  11  45.124  40.391-111.201
  115   1H2*    C  11          1H2*        C  11  43.884  42.039-110.200
  116   2HO*    C  11          2HO*        C  11  44.232  43.550-111.934
  117    H1*    C  11           H1*        C  11  41.475  41.668-111.484
  118   1H4     C  11          1H4         C  11  41.835  37.936-106.021
  119   2H4     C  11          2H4         C  11  40.725  39.242-105.667
  120    H5     C  11           H5         C  11  43.051  37.763-108.091
  121    H6     C  11           H6         C  11  43.469  38.804-110.269
  122   1H5*    U  12          1H5*        U  12  46.571  45.540-112.281
  123   2H5*    U  12          2H5*        U  12  45.175  44.682-112.995
  124    H4*    U  12           H4*        U  12  44.453  46.817-112.077
  125    H3*    U  12           H3*        U  12  45.938  45.835-109.671
  126   1H2*    U  12          1H2*        U  12  44.372  46.624-108.189
  127   2HO*    U  12          2HO*        U  12  42.901  48.285-108.757
  128    H1*    U  12           H1*        U  12  42.088  46.388-109.806
  129    H3     U  12           H3         U  12  40.666  43.563-106.661
  130    H5     U  12           H5         U  12  44.578  42.185-107.412
  131    H6     U  12           H6         U  12  44.831  43.983-109.027
  132   1H5*    C  13          1H5*        C  13  47.543  50.984-108.743
  133   2H5*    C  13          2H5*        C  13  46.288  50.253-109.734
  134    H4*    C  13           H4*        C  13  45.134  51.389-108.025
  135    H3*    C  13           H3*        C  13  47.337  50.444-106.222
  136   1H2*    C  13          1H2*        C  13  45.898  49.948-104.458
  137   2HO*    C  13          2HO*        C  13  44.457  51.988-105.586
  138    H1*    C  13           H1*        C  13  43.737  49.020-105.786
  139   1H4     C  13          1H4         C  13  46.533  43.492-104.704
  140   2H4     C  13          2H4         C  13  47.256  43.599-106.292
  141    H5     C  13           H5         C  13  47.294  45.622-107.589
  142    H6     C  13           H6         C  13  46.476  47.924-107.730
  143   1H5*    U  14          1H5*        U  14  48.800  52.915-103.053
  144   2H5*    U  14          2H5*        U  14  47.602  53.839-102.161
  145    H4*    U  14           H4*        U  14  47.520  52.245-100.572
  146    H3*    U  14           H3*        U  14  49.632  50.938-102.338
  147   1H2*    U  14          1H2*        U  14  49.600  49.103-100.845
  148   2HO*    U  14          2HO*        U  14  48.018  49.389 -98.970
  149    H1*    U  14           H1*        U  14  46.889  49.051-100.545
  150    H3     U  14           H3         U  14  48.301  45.174-102.348
  151    H5     U  14           H5         U  14  48.451  47.879-105.565
  152    H6     U  14           H6         U  14  48.015  49.662-104.016
  153   1H5*    C  15          1H5*        C  15  52.297  52.040 -97.685
  154   2H5*    C  15          2H5*        C  15  50.757  52.030 -98.542
  155    H4*    C  15           H4*        C  15  50.852  50.155 -97.001
  156    H3*    C  15           H3*        C  15  53.479  49.679 -98.375
  157   1H2*    C  15          1H2*        C  15  53.203  47.391 -98.375
  158   2HO*    C  15          2HO*        C  15  51.608  46.386 -97.004
  159    H1*    C  15           H1*        C  15  50.471  47.283 -98.634
  160   1H4     C  15          1H4         C  15  52.448  45.476-104.328
  161   2H4     C  15          2H4         C  15  52.424  47.149-104.847
  162    H5     C  15           H5         C  15  52.212  49.005-103.314
  163    H6     C  15           H6         C  15  51.773  49.644-100.989
  164   1H5*    C  16          1H5*        C  16  55.618  47.361 -94.282
  165   2H5*    C  16          2H5*        C  16  53.966  47.696 -94.786
  166    H4*    C  16           H4*        C  16  54.302  45.356 -95.069
  167    H3*    C  16           H3*        C  16  56.898  46.209 -96.327
  168   1H2*    C  16          1H2*        C  16  56.828  44.464 -97.816
  169   2HO*    C  16          2HO*        C  16  55.347  42.655 -97.430
  170    H1*    C  16           H1*        C  16  54.100  44.216 -98.045
  171   1H4     C  16          1H4         C  16  55.927  47.843-103.161
  172   2H4     C  16          2H4         C  16  56.034  46.179-103.700
  173    H5     C  16           H5         C  16  55.591  48.463-100.843
  174    H6     C  16           H6         C  16  55.179  47.604 -98.577
  175   1H5*    C  17          1H5*        C  17  59.771  42.184 -94.062
  176   2H5*    C  17          2H5*        C  17  58.016  42.234 -94.143
  177    H4*    C  17           H4*        C  17  58.551  40.282 -95.308
  178    H3*    C  17           H3*        C  17  60.912  41.857 -96.280
  179   1H2*    C  17          1H2*        C  17  60.941  40.806 -98.330
  180   2HO*    C  17          2HO*        C  17  59.747  38.806 -98.643
  181    H1*    C  17           H1*        C  17  58.217  40.346 -98.624
  182   1H4     C  17          1H4         C  17  58.991  46.181-101.441
  183   2H4     C  17          2H4         C  17  59.259  45.018-102.720
  184    H5     C  17           H5         C  17  58.869  45.576 -99.111
  185    H6     C  17           H6         C  17  58.815  43.712 -97.523
  186   1H5*    C  18          1H5*        C  18  63.693  37.333 -96.126
  187   2H5*    C  18          2H5*        C  18  62.012  37.851 -96.138
  188    H4*    C  18           H4*        C  18  62.455  36.896 -98.276
  189    H3*    C  18           H3*        C  18  64.969  38.531 -98.114
  190   1H2*    C  18          1H2*        C  18  64.953  38.992-100.368
  191   2HO*    C  18          2HO*        C  18  63.590  37.722-101.818
  192    H1*    C  18           H1*        C  18  62.197  38.996-100.781
  193   1H4     C  18          1H4         C  18  63.769  45.076-101.347
  194   2H4     C  18          2H4         C  18  63.538  45.278 -99.625
  195    H5     C  18           H5         C  18  63.285  43.429 -98.104
  196    H6     C  18           H6         C  18  63.035  40.998 -97.923
  197   1H5*    C  19          1H5*        C  19  67.129  34.038-100.543
  198   2H5*    C  19          2H5*        C  19  65.536  34.700-100.191
  199    H4*    C  19           H4*        C  19  65.818  34.559-102.592
  200    H3*    C  19           H3*        C  19  68.425  35.895-101.960
  201   1H2*    C  19          1H2*        C  19  68.356  37.267-103.820
  202   2HO*    C  19          2HO*        C  19  66.649  36.879-105.447
  203    H1*    C  19           H1*        C  19  65.705  37.825-103.838
  204   1H4     C  19          1H4         C  19  67.953  42.889-100.840
  205   2H4     C  19          2H4         C  19  67.852  42.029 -99.318
  206    H5     C  19           H5         C  19  67.445  39.654 -99.166
  207    H6     C  19           H6         C  19  66.883  37.630-100.429
  208   1H5*    C  20          1H5*        C  20  71.516  33.592-105.246
  209   2H5*    C  20          2H5*        C  20  69.823  34.048-105.385
  210    H4*    C  20           H4*        C  20  71.133  35.501-106.792
  211    H3*    C  20           H3*        C  20  72.803  35.749-104.322
  212   1H2*    C  20          1H2*        C  20  73.226  37.959-104.631
  213   2HO*    C  20          2HO*        C  20  72.549  38.860-106.848
  214    H1*    C  20           H1*        C  20  70.892  38.699-105.875
  215   1H4     C  20          1H4         C  20  70.437  41.264-100.149
  216   2H4     C  20          2H4         C  20  69.768  39.762 -99.540
  217    H5     C  20           H5         C  20  69.786  37.699-100.817
  218    H6     C  20           H6         C  20  70.206  36.710-103.034
  219   1H5*    C  21          1H5*        C  21  76.957  35.972-106.399
  220   2H5*    C  21          2H5*        C  21  75.598  37.085-106.072
  221    H4*    C  21           H4*        C  21  77.825  37.947-105.326
  222    H3*    C  21           H3*        C  21  77.694  35.420-103.723
  223   1H2*    C  21          1H2*        C  21  78.482  36.423-101.806
  224   2HO*    C  21          2HO*        C  21  80.357  37.218-102.884
  225    H1*    C  21           H1*        C  21  77.628  39.070-102.360
  226   1H4     C  21          1H4         C  21  74.930  36.891 -97.030
  227   2H4     C  21          2H4         C  21  73.411  37.037 -97.884
  228    H5     C  21           H5         C  21  73.273  37.506-100.225
  229    H6     C  21           H6         C  21  74.518  37.879-102.323
  230   1H5*    U  22          1H5*        U  22  82.156  36.943-105.235
  231   2H5*    U  22          2H5*        U  22  82.623  37.930-103.817
  232    H4*    U  22           H4*        U  22  84.278  36.185-103.188
  233    H3*    U  22           H3*        U  22  84.470  38.069-105.262
  234   1H2*    U  22          1H2*        U  22  84.448  36.700-107.071
  235   2HO*    U  22          2HO*        U  22  86.546  35.876-107.543
  236    H1*    U  22           H1*        U  22  85.608  34.318-105.710
  237    H3     U  22           H3         U  22  84.485  33.701-110.280
  238    H5     U  22           H5         U  22  81.224  32.575-107.859
  239    H6     U  22           H6         U  22  82.338  33.627-105.981
  240   1H5*    U  23          1H5*        U  23  87.739  36.863-106.676
  241   2H5*    U  23          2H5*        U  23  88.630  38.360-107.073
  242    H4*    U  23           H4*        U  23  89.934  36.376-107.678
  243    H3*    U  23           H3*        U  23  89.368  35.635-104.830
  244   1H2*    U  23          1H2*        U  23  91.446  34.670-104.544
  245   2HO*    U  23          2HO*        U  23  92.800  34.181-106.321
  246    H1*    U  23           H1*        U  23  92.914  36.454-105.981
  247    H3     U  23           H3         U  23  93.820  36.420-101.435
  248    H5     U  23           H5         U  23  91.011  39.483-102.143
  249    H6     U  23           H6         U  23  90.715  38.595-104.385
  250   1H5*    U  24          1H5*        U  24  89.559  31.137-105.030
  251   2H5*    U  24          2H5*        U  24  90.665  32.524-105.248
  252    H4*    U  24           H4*        U  24  91.212  30.785-103.414
  253    H3*    U  24           H3*        U  24  88.855  32.235-102.243
  254   1H2*    U  24          1H2*        U  24  89.812  32.223-100.154
  255   2HO*    U  24          2HO*        U  24  90.276  29.943-100.210
  256    H1*    U  24           H1*        U  24  92.478  32.348-101.001
  257    H3     U  24           H3         U  24  91.753  35.673 -98.000
  258    H5     U  24           H5         U  24  89.935  37.025-101.548
  259    H6     U  24           H6         U  24  90.382  34.858-102.534
  260   1H5*    U  25          1H5*        U  25  85.827  28.950-100.176
  261   2H5*    U  25          2H5*        U  25  87.579  28.828-100.197
  262    H4*    U  25           H4*        U  25  86.939  29.357 -97.966
  263    H3*    U  25           H3*        U  25  85.241  31.494 -99.251
  264   1H2*    U  25          1H2*        U  25  85.486  32.813 -97.335
  265   2HO*    U  25          2HO*        U  25  86.444  31.913 -95.416
  266    H1*    U  25           H1*        U  25  88.089  32.183 -96.833
  267    H3     U  25           H3         U  25  87.857  36.633 -97.667
  268    H5     U  25           H5         U  25  88.217  34.788-101.439
  269    H6     U  25           H6         U  25  87.824  32.652-100.361
  270   1H5*    C  26          1H5*        C  26  81.141  31.123 -96.278
  271   2H5*    C  26          2H5*        C  26  82.829  30.688 -96.053
  272    H4*    C  26           H4*        C  26  82.483  32.624 -94.739
  273    H3*    C  26           H3*        C  26  80.992  33.637 -97.150
  274   1H2*    C  26          1H2*        C  26  81.635  35.806 -96.705
  275   2HO*    C  26          2HO*        C  26  82.034  34.879 -94.053
  276    H1*    C  26           H1*        C  26  84.070  35.254 -95.481
  277   1H4     C  26          1H4         C  26  85.656  38.215-100.811
  278   2H4     C  26          2H4         C  26  85.687  36.676-101.646
  279    H5     C  26           H5         C  26  84.798  34.640-100.696
  280    H6     C  26           H6         C  26  83.889  33.602 -98.674
  281   1H5*    C  27          1H5*        C  27  77.488  35.878 -93.634
  282   2H5*    C  27          2H5*        C  27  79.086  35.155 -93.502
  283    H4*    C  27           H4*        C  27  79.330  37.445 -92.910
  284    H3*    C  27           H3*        C  27  77.616  37.934 -95.334
  285   1H2*    C  27          1H2*        C  27  78.704  39.905 -95.821
  286   2HO*    C  27          2HO*        C  27  79.511  39.828 -93.096
  287    H1*    C  27           H1*        C  27  81.245  39.182 -94.956
  288   1H4     C  27          1H4         C  27  81.680  39.104-101.251
  289   2H4     C  27          2H4         C  27  81.200  37.421-101.246
  290    H5     C  27           H5         C  27  80.286  36.316 -99.307
  291    H6     C  27           H6         C  27  79.842  36.526 -96.902
  292   1H5*    G  28          1H5*        G  28  74.783  41.883 -93.136
  293   2H5*    G  28          2H5*        G  28  76.359  41.270 -92.653
  294    H4*    G  28           H4*        G  28  76.743  43.489 -93.367
  295    H3*    G  28           H3*        G  28  74.805  42.786 -95.544
  296   1H2*    G  28          1H2*        G  28  75.898  44.044 -97.130
  297   2HO*    G  28          2HO*        G  28  77.584  45.577 -96.420
  298    H1*    G  28           H1*        G  28  78.491  43.686 -96.281
  299    H8     G  28           H8         G  28  76.692  40.384 -96.438
  300    H1     G  28           H1         G  28  78.928  42.318-102.082
  301   1H2     G  28          1H2         G  28  79.212  45.438-100.569
  302   2H2     G  28          2H2         G  28  79.419  44.473-102.014
  303   1H5*    A  29          1H5*        A  29  72.879  47.888 -95.307
  304   2H5*    A  29          2H5*        A  29  74.377  47.197 -94.698
  305    H4*    A  29           H4*        A  29  75.030  48.869 -96.240
  306    H3*    A  29           H3*        A  29  72.759  47.783 -97.866
  307   1H2*    A  29          1H2*        A  29  73.847  48.116 -99.877
  308   2HO*    A  29          2HO*        A  29  75.458  49.940 -98.405
  309    H1*    A  29           H1*        A  29  76.434  47.598 -99.076
  310    H8     A  29           H8         A  29  74.096  44.929 -97.814
  311   1H6     A  29          1H6         A  29  75.225  41.991-103.096
  312   2H6     A  29          2H6         A  29  74.632  41.824-101.460
  313    H2     A  29           H2         A  29  76.627  46.237-103.543
  314   1H5*    G  30          1H5*        G  30  71.770  51.722-100.588
  315   2H5*    G  30          2H5*        G  30  73.192  51.117 -99.744
  316    H4*    G  30           H4*        G  30  73.435  50.706-102.119
  317    H3*    G  30           H3*        G  30  70.687  49.540-101.784
  318   1H2*    G  30          1H2*        G  30  71.105  47.856-103.343
  319   2HO*    G  30          2HO*        G  30  73.323  47.972-104.410
  320    H1*    G  30           H1*        G  30  73.634  47.239-102.568
  321    H8     G  30           H8         G  30  71.441  47.930 -99.527
  322    H1     G  30           H1         G  30  71.040  41.993-101.801
  323   1H2     G  30          1H2         G  30  72.619  43.319-104.600
  324   2H2     G  30          2H2         G  30  71.919  41.916-103.826
  325   1H5*    G  31          1H5*        G  31  68.228  51.360-106.149
  326   2H5*    G  31          2H5*        G  31  69.982  51.212-106.237
  327    H4*    G  31           H4*        G  31  69.250  49.773-107.936
  328    H3*    G  31           H3*        G  31  66.984  49.244-106.049
  329   1H2*    G  31          1H2*        G  31  66.760  47.012-106.685
  330   2HO*    G  31          2HO*        G  31  68.089  46.225-108.518
  331    H1*    G  31           H1*        G  31  69.385  46.370-106.845
  332    H8     G  31           H8         G  31  68.874  48.725-103.930
  333    H1     G  31           H1         G  31  67.619  42.633-102.548
  334   1H2     G  31          1H2         G  31  67.585  42.176-105.996
  335   2H2     G  31          2H2         G  31  67.404  41.458-104.410
  336   1H5*    G  32          1H5*        G  32  63.910  48.287-110.568
  337   2H5*    G  32          2H5*        G  32  65.651  48.506-110.439
  338    H4*    G  32           H4*        G  32  65.541  46.352-111.278
  339    H3*    G  32           H3*        G  32  62.930  46.228-109.840
  340   1H2*    G  32          1H2*        G  32  63.077  44.042-109.218
  341   2HO*    G  32          2HO*        G  32  64.640  42.618-110.178
  342    H1*    G  32           H1*        G  32  65.731  43.867-108.645
  343    H8     G  32           H8         G  32  64.402  47.218-107.597
  344    H1     G  32           H1         G  32  63.730  42.780-103.091
  345   1H2     G  32          1H2         G  32  64.199  40.488-105.655
  346   2H2     G  32          2H2         G  32  63.887  40.763-103.952
  347   1H5*    U  33          1H5*        U  33  62.960  42.248-111.880
  348   2H5*    U  33          2H5*        U  33  62.167  41.739-113.415
  349    H4*    U  33           H4*        U  33  64.476  40.915-113.408
  350    H3*    U  33           H3*        U  33  64.919  43.134-111.836
  351   1H2*    U  33          1H2*        U  33  64.921  44.782-113.369
  352   2HO*    U  33          2HO*        U  33  67.484  43.660-113.911
  353    H1*    U  33           H1*        U  33  66.099  43.238-115.626
  354    H3     U  33           H3         U  33  64.932  46.615-118.313
  355    H5     U  33           H5         U  33  61.541  46.187-115.845
  356    H6     U  33           H6         U  33  62.722  44.444-114.638
  357   1H5*    C  34          1H5*        C  34  66.272  38.481-112.915
  358   2H5*    C  34          2H5*        C  34  66.460  39.974-113.915
  359    H4*    C  34           H4*        C  34  67.853  37.673-114.482
  360    H3*    C  34           H3*        C  34  69.040  39.033-112.158
  361   1H2*    C  34          1H2*        C  34  71.067  39.573-112.928
  362   2HO*    C  34          2HO*        C  34  70.775  37.489-114.875
  363    H1*    C  34           H1*        C  34  70.563  39.774-115.661
  364   1H4     C  34          1H4         C  34  69.940  45.435-112.229
  365   2H4     C  34          2H4         C  34  71.250  45.688-113.361
  366    H5     C  34           H5         C  34  68.745  43.361-112.051
  367    H6     C  34           H6         C  34  68.471  41.123-112.933
  368   1H5*    A  35          1H5*        A  35  72.833  36.469-111.602
  369   2H5*    A  35          2H5*        A  35  71.946  37.399-112.839
  370    H4*    A  35           H4*        A  35  73.904  38.617-112.624
  371    H3*    A  35           H3*        A  35  74.180  37.325-110.165
  372   1H2*    A  35          1H2*        A  35  73.299  38.845-108.761
  373   2HO*    A  35          2HO*        A  35  75.667  40.252-109.527
  374    H1*    A  35           H1*        A  35  73.898  41.189-110.480
  375    H8     A  35           H8         A  35  70.685  40.921-110.923
  376   1H6     A  35          1H6         A  35  68.642  43.003-107.103
  377   2H6     A  35          2H6         A  35  69.205  43.280-105.471
  378    H2     A  35           H2         A  35  73.352  41.626-105.204
  379   1H5*    U  36          1H5*        U  36  79.082  39.899-111.323
  380   2H5*    U  36          2H5*        U  36  77.378  39.884-111.743
  381    H4*    U  36           H4*        U  36  77.887  42.137-111.297
  382    H3*    U  36           H3*        U  36  79.432  41.052-108.955
  383   1H2*    U  36          1H2*        U  36  79.006  42.968-107.722
  384   2HO*    U  36          2HO*        U  36  78.268  44.902-108.728
  385    H1*    U  36           H1*        U  36  76.480  43.513-108.710
  386    H3     U  36           H3         U  36  76.119  42.991-104.205
  387    H5     U  36           H5         U  36  75.895  39.126-105.854
  388    H6     U  36           H6         U  36  76.654  40.043-107.961
  389   1H5*    C  37          1H5*        C  37  83.170  44.607-109.638
  390   2H5*    C  37          2H5*        C  37  81.529  44.303-110.203
  391    H4*    C  37           H4*        C  37  81.441  45.917-108.417
  392    H3*    C  37           H3*        C  37  83.137  43.894-106.965
  393   1H2*    C  37          1H2*        C  37  82.131  44.395-104.960
  394   2HO*    C  37          2HO*        C  37  81.410  46.845-106.212
  395    H1*    C  37           H1*        C  37  79.604  45.045-105.949
  396   1H4     C  37          1H4         C  37  78.913  39.669-102.734
  397   2H4     C  37          2H4         C  37  79.183  38.772-104.213
  398    H5     C  37           H5         C  37  80.023  39.780-106.225
  399    H6     C  37           H6         C  37  80.574  41.893-107.317
  400   1H5*    G  38          1H5*        G  38  86.490  47.647-104.853
  401   2H5*    G  38          2H5*        G  38  84.896  47.966-105.524
  402    H4*    G  38           H4*        G  38  84.754  48.690-103.283
  403    H3*    G  38           H3*        G  38  86.430  46.265-102.734
  404   1H2*    G  38          1H2*        G  38  85.410  45.802-100.725
  405   2HO*    G  38          2HO*        G  38  84.556  48.512-100.831
  406    H1*    G  38           H1*        G  38  82.841  46.533-101.331
  407    H8     G  38           H8         G  38  84.380  44.546-104.154
  408    H1     G  38           H1         G  38  81.929  40.923 -99.520
  409   1H2     G  38          1H2         G  38  82.012  43.831 -97.611
  410   2H2     G  38          2H2         G  38  81.633  42.125 -97.686
  411   1H5*    G  39          1H5*        G  39  88.332  48.514 -98.484
  412   2H5*    G  39          2H5*        G  39  86.959  48.723 -99.563
  413    H4*    G  39           H4*        G  39  86.128  47.774 -97.535
  414    H3*    G  39           H3*        G  39  88.433  45.857 -97.848
  415   1H2*    G  39          1H2*        G  39  87.210  44.163 -96.853
  416   2HO*    G  39          2HO*        G  39  85.221  44.633 -95.736
  417    H1*    G  39           H1*        G  39  84.744  44.830 -97.887
  418    H8     G  39           H8         G  39  87.242  44.754-100.678
  419    H1     G  39           H1         G  39  85.263  38.950 -98.930
  420   1H2     G  39          1H2         G  39  84.326  39.040 -96.922
  421   2H2     G  39          2H2         G  39  84.178  40.533 -96.022
  422   1H5*    A  40          1H5*        A  40  90.046  45.905 -92.696
  423   2H5*    A  40          2H5*        A  40  88.473  46.474 -93.242
  424    H4*    A  40           H4*        A  40  87.866  44.687 -91.899
  425    H3*    A  40           H3*        A  40  90.475  43.520 -92.787
  426   1H2*    A  40          1H2*        A  40  89.719  41.362 -92.754
  427   2HO*    A  40          2HO*        A  40  87.821  40.792 -91.524
  428    H1*    A  40           H1*        A  40  87.019  41.818 -93.271
  429    H8     A  40           H8         A  40  89.160  43.282 -95.982
  430   1H6     A  40          1H6         A  40  88.613  37.813 -98.757
  431   2H6     A  40          2H6         A  40  88.959  39.512 -98.992
  432    H2     A  40           H2         A  40  87.490  37.302 -94.433
  433   1H5*    A  41          1H5*        A  41  89.528  41.192 -88.006
  434   2H5*    A  41          2H5*        A  41  88.519  41.964 -89.264
  435    H4*    A  41           H4*        A  41  87.577  39.795 -88.758
  436    H3*    A  41           H3*        A  41  90.425  38.911 -88.975
  437   1H2*    A  41          1H2*        A  41  89.946  36.972 -90.106
  438   2HO*    A  41          2HO*        A  41  87.844  36.065 -90.111
  439    H1*    A  41           H1*        A  41  87.831  37.810 -91.616
  440    H8     A  41           H8         A  41  90.851  40.129 -91.358
  441   1H6     A  41          1H6         A  41  93.392  38.489 -95.121
  442   2H6     A  41          2H6         A  41  93.197  37.116 -96.187
  443    H2     A  41           H2         A  41  89.479  34.970 -94.875
  444   1H5*    C  42          1H5*        C  42  89.795  35.024 -85.968
  445   2H5*    C  42          2H5*        C  42  88.968  35.315 -87.526
  446    H4*    C  42           H4*        C  42  90.053  33.052 -87.318
  447    H3*    C  42           H3*        C  42  92.435  34.820 -86.977
  448   1H2*    C  42          1H2*        C  42  93.741  33.642 -88.409
  449   2HO*    C  42          2HO*        C  42  93.369  31.439 -88.875
  450    H1*    C  42           H1*        C  42  91.821  32.568 -90.060
  451   1H4     C  42          1H4         C  42  95.064  36.644 -93.664
  452   2H4     C  42          2H4         C  42  94.667  37.980 -92.606
  453    H5     C  42           H5         C  42  93.364  37.730 -90.599
  454    H6     C  42           H6         C  42  92.170  36.144 -89.159
  455   1H5*    C  43          1H5*        C  43  94.442  30.416 -85.337
  456   2H5*    C  43          2H5*        C  43  93.373  30.964 -86.663
  457    H4*    C  43           H4*        C  43  95.287  29.553 -87.439
  458    H3*    C  43           H3*        C  43  96.787  31.737 -86.055
  459   1H2*    C  43          1H2*        C  43  98.353  31.974 -87.699
  460   2HO*    C  43          2HO*        C  43  97.539  29.437 -88.722
  461    H1*    C  43           H1*        C  43  96.792  31.429 -89.915
  462   1H4     C  43          1H4         C  43  97.647  37.732 -89.562
  463   2H4     C  43          2H4         C  43  96.531  37.838 -88.218
  464    H5     C  43           H5         C  43  95.508  35.912 -87.198
  465    H6     C  43           H6         C  43  95.285  33.455 -87.290
  466   1H5*    A  44          1H5*        A  44  96.870  32.220 -82.253
  467   2H5*    A  44          2H5*        A  44  97.984  30.821 -82.227
  468    H4*    A  44           H4*        A  44  99.194  32.977 -82.272
  469    H3*    A  44           H3*        A  44  97.279  33.525 -84.407
  470   1H2*    A  44          1H2*        A  44  98.649  33.459 -86.152
  471   2HO*    A  44          2HO*        A  44 100.399  34.957 -86.206
  472    H1*    A  44           H1*        A  44 101.199  33.136 -84.702
  473    H8     A  44           H8         A  44  99.219  30.149 -85.853
  474   1H6     A  44          1H6         A  44 101.433  29.304 -90.064
  475   2H6     A  44          2H6         A  44 102.608  30.205 -90.997
  476    H2     A  44           H2         A  44 103.485  33.969 -88.703
  477    H3T    A  44           H3T        A  44  99.269  35.104 -83.107
   
  Start of MODEL   23
    1   1H5*    G   1          1H5*        G   1  64.094  38.858-108.458
    2   2H5*    G   1          2H5*        G   1  64.147  40.161-107.243
    3    H4*    G   1           H4*        G   1  64.676  37.531-106.719
    4    H3*    G   1           H3*        G   1  61.739  38.000-106.440
    5   1H2*    G   1          1H2*        G   1  61.604  37.085-104.310
    6   2HO*    G   1          2HO*        G   1  63.819  35.696-105.182
    7    H1*    G   1           H1*        G   1  63.901  38.039-103.288
    8    H8     G   1           H8         G   1  62.731  40.878-105.315
    9    H1     G   1           H1         G   1  59.943  40.672 -99.590
   10   1H2     G   1          1H2         G   1  60.952  37.349 -99.514
   11   2H2     G   1          2H2         G   1  60.125  38.667 -98.703
   12    H5T    G   1           H5T        G   1  62.189  39.937-108.595
   13   1H5*    G   2          1H5*        G   2  59.236  34.159-106.500
   14   2H5*    G   2          2H5*        G   2  60.863  34.356-105.866
   15    H4*    G   2           H4*        G   2  59.566  34.501-103.956
   16    H3*    G   2           H3*        G   2  57.582  35.937-105.701
   17   1H2*    G   2          1H2*        G   2  56.788  37.135-103.894
   18   2HO*    G   2          2HO*        G   2  57.428  36.341-101.689
   19    H1*    G   2           H1*        G   2  59.146  37.160-102.381
   20    H8     G   2           H8         G   2  59.645  38.810-105.707
   21    H1     G   2           H1         G   2  56.704  42.523-101.449
   22   1H2     G   2          1H2         G   2  56.158  39.547 -99.718
   23   2H2     G   2          2H2         G   2  55.931  41.281 -99.781
   24   1H5*    G   3          1H5*        G   3  53.394  33.122-103.683
   25   2H5*    G   3          2H5*        G   3  55.058  33.194-103.112
   26    H4*    G   3           H4*        G   3  53.886  34.251-101.393
   27    H3*    G   3           H3*        G   3  52.151  35.184-103.631
   28   1H2*    G   3          1H2*        G   3  51.720  37.232-102.707
   29   2HO*    G   3          2HO*        G   3  52.197  37.484-100.330
   30    H1*    G   3           H1*        G   3  54.005  37.518-101.143
   31    H8     G   3           H8         G   3  54.815  37.092-104.792
   32    H1     G   3           H1         G   3  53.349  43.065-103.112
   33   1H2     G   3          1H2         G   3  51.999  41.582-100.264
   34   2H2     G   3          2H2         G   3  52.302  43.055-101.158
   35   1H5*    A   4          1H5*        A   4  47.611  34.793-100.451
   36   2H5*    A   4          2H5*        A   4  49.181  34.610 -99.679
   37    H4*    A   4           H4*        A   4  48.290  36.325 -98.409
   38    H3*    A   4           H3*        A   4  46.766  36.973-100.907
   39   1H2*    A   4          1H2*        A   4  46.693  39.227-100.502
   40   2HO*    A   4          2HO*        A   4  47.352  40.018 -98.336
   41    H1*    A   4           H1*        A   4  49.140  39.574 -99.333
   42    H8     A   4           H8         A   4  49.440  37.376-102.346
   43   1H6     A   4          1H6         A   4  50.156  42.545-105.613
   44   2H6     A   4          2H6         A   4  50.384  40.811-105.609
   45    H2     A   4           H2         A   4  48.548  43.652-101.564
   46   1H5*    G   5          1H5*        G   5  42.364  38.663 -98.877
   47   2H5*    G   5          2H5*        G   5  43.911  38.593 -98.046
   48    H4*    G   5           H4*        G   5  43.650  40.872 -98.282
   49    H3*    G   5           H3*        G   5  42.140  40.140-100.761
   50   1H2*    G   5          1H2*        G   5  42.727  42.059-101.881
   51   2HO*    G   5          2HO*        G   5  42.865  43.103 -99.282
   52    H1*    G   5           H1*        G   5  45.198  42.543-100.630
   53    H8     G   5           H8         G   5  45.185  39.126-102.141
   54    H1     G   5           H1         G   5  46.500  43.722-106.362
   55   1H2     G   5          1H2         G   5  45.864  45.695-105.580
   56   2H2     G   5          2H2         G   5  45.118  45.880-104.006
   57   1H5*    C   6          1H5*        C   6  38.210  42.408-100.362
   58   2H5*    C   6          2H5*        C   6  39.692  42.799-101.285
   59    H4*    C   6           H4*        C   6  37.297  42.667-102.457
   60    H3*    C   6           H3*        C   6  38.201  39.841-102.122
   61   1H2*    C   6          1H2*        C   6  37.878  39.270-104.305
   62   2HO*    C   6          2HO*        C   6  35.651  40.364-104.072
   63    H1*    C   6           H1*        C   6  38.272  41.768-105.512
   64   1H4     C   6          1H4         C   6  43.229  38.229-107.270
   65   2H4     C   6          2H4         C   6  43.564  37.762-105.617
   66    H5     C   6           H5         C   6  42.254  38.523-103.739
   67    H6     C   6           H6         C   6  40.344  39.892-103.044
   68   1H5*    U   7          1H5*        U   7  33.049  37.787-102.123
   69   2H5*    U   7          2H5*        U   7  33.414  39.470-102.614
   70    H4*    U   7           H4*        U   7  32.556  38.610-104.593
   71    H3*    U   7           H3*        U   7  33.658  36.026-103.582
   72   1H2*    U   7          1H2*        U   7  34.262  35.219-105.626
   73   2HO*    U   7          2HO*        U   7  32.166  36.870-106.540
   74    H1*    U   7           H1*        U   7  34.702  37.657-106.978
   75    H3     U   7           H3         U   7  38.714  35.796-107.611
   76    H5     U   7           H5         U   7  38.503  36.176-103.419
   77    H6     U   7           H6         U   7  36.204  36.908-103.662
   78   1H5*    C   8          1H5*        C   8  31.881  32.579-104.489
   79   2H5*    C   8          2H5*        C   8  30.163  32.121-104.293
   80    H4*    C   8           H4*        C   8  30.958  31.195-106.378
   81    H3*    C   8           H3*        C   8  32.098  33.936-106.704
   82   1H2*    C   8          1H2*        C   8  31.588  34.118-108.902
   83   2HO*    C   8          2HO*        C   8  31.115  32.189-110.176
   84    H1*    C   8           H1*        C   8  29.313  32.492-108.991
   85   1H4     C   8          1H4         C   8  27.123  38.362-109.791
   86   2H4     C   8          2H4         C   8  27.584  38.788-108.159
   87    H5     C   8           H5         C   8  28.747  37.270-106.689
   88    H6     C   8           H6         C   8  29.748  35.077-106.450
   89   1H5*    A   9          1H5*        A   9  34.585  31.959-110.207
   90   2H5*    A   9          2H5*        A   9  32.866  32.441-110.250
   91    H4*    A   9           H4*        A   9  34.257  32.877-112.353
   92    H3*    A   9           H3*        A   9  35.490  34.811-110.424
   93   1H2*    A   9          1H2*        A   9  35.537  36.501-111.958
   94   2HO*    A   9          2HO*        A   9  35.759  36.192-114.103
   95    H1*    A   9           H1*        A   9  33.280  35.794-113.452
   96    H8     A   9           H8         A   9  31.810  36.175-110.225
   97   1H6     A   9          1H6         A   9  33.192  42.178-110.086
   98   2H6     A   9          2H6         A   9  32.249  40.908-109.338
   99    H2     A   9           H2         A   9  35.531  40.275-113.420
  100   1H5*    A  10          1H5*        A  10  40.301  34.136-113.098
  101   2H5*    A  10          2H5*        A  10  38.645  33.713-113.619
  102    H4*    A  10           H4*        A  10  39.241  35.210-115.268
  103    H3*    A  10           H3*        A  10  40.952  36.465-113.165
  104   1H2*    A  10          1H2*        A  10  40.714  38.582-114.012
  105   2HO*    A  10          2HO*        A  10  39.514  38.049-116.410
  106    H1*    A  10           H1*        A  10  38.157  38.385-115.069
  107    H8     A  10           H8         A  10  38.011  37.296-111.515
  108   1H6     A  10          1H6         A  10  38.497  43.204-109.841
  109   2H6     A  10          2H6         A  10  38.100  41.590-109.295
  110    H2     A  10           H2         A  10  39.518  42.884-114.205
  111   1H5*    C  11          1H5*        C  11  45.199  38.025-115.657
  112   2H5*    C  11          2H5*        C  11  43.727  37.724-116.627
  113    H4*    C  11           H4*        C  11  43.902  40.029-116.784
  114    H3*    C  11           H3*        C  11  45.155  39.813-114.078
  115   1H2*    C  11          1H2*        C  11  44.347  41.815-113.328
  116   2HO*    C  11          2HO*        C  11  43.726  42.582-115.995
  117    H1*    C  11           H1*        C  11  41.947  41.908-114.697
  118   1H4     C  11          1H4         C  11  41.319  38.913-108.815
  119   2H4     C  11          2H4         C  11  40.687  40.532-108.611
  120    H5     C  11           H5         C  11  42.316  38.132-110.864
  121    H6     C  11           H6         C  11  42.979  38.758-113.139
  122   1H5*    U  12          1H5*        U  12  48.130  44.282-114.996
  123   2H5*    U  12          2H5*        U  12  46.794  43.981-116.143
  124    H4*    U  12           H4*        U  12  46.344  46.126-115.335
  125    H3*    U  12           H3*        U  12  47.400  45.045-112.757
  126   1H2*    U  12          1H2*        U  12  46.007  46.316-111.459
  127   2HO*    U  12          2HO*        U  12  45.525  48.321-111.945
  128    H1*    U  12           H1*        U  12  43.828  46.514-113.233
  129    H3     U  12           H3         U  12  41.647  44.547-109.866
  130    H5     U  12           H5         U  12  44.954  41.997-110.441
  131    H6     U  12           H6         U  12  45.724  43.492-112.183
  132   1H5*    C  13          1H5*        C  13  49.706  49.792-112.145
  133   2H5*    C  13          2H5*        C  13  48.335  49.032-112.947
  134    H4*    C  13           H4*        C  13  47.535  50.465-111.158
  135    H3*    C  13           H3*        C  13  49.604  48.974-109.594
  136   1H2*    C  13          1H2*        C  13  48.296  48.816-107.704
  137   2HO*    C  13          2HO*        C  13  46.880  50.977-108.846
  138    H1*    C  13           H1*        C  13  45.882  48.441-108.843
  139   1H4     C  13          1H4         C  13  47.522  42.512-107.453
  140   2H4     C  13          2H4         C  13  48.361  42.398-108.984
  141    H5     C  13           H5         C  13  48.818  44.301-110.383
  142    H6     C  13           H6         C  13  48.438  46.702-110.689
  143   1H5*    U  14          1H5*        U  14  50.706  52.136-105.848
  144   2H5*    U  14          2H5*        U  14  49.117  52.211-106.596
  145    H4*    U  14           H4*        U  14  48.538  51.477-104.501
  146    H3*    U  14           H3*        U  14  51.243  50.169-104.481
  147   1H2*    U  14          1H2*        U  14  50.534  48.533-103.018
  148   2HO*    U  14          2HO*        U  14  48.429  50.340-102.378
  149    H1*    U  14           H1*        U  14  47.891  48.343-103.871
  150    H3     U  14           H3         U  14  49.671  44.194-104.227
  151    H5     U  14           H5         U  14  51.026  46.259-107.639
  152    H6     U  14           H6         U  14  50.228  48.309-106.635
  153   1H5*    C  15          1H5*        C  15  51.856  51.257 -99.391
  154   2H5*    C  15          2H5*        C  15  50.491  51.360-100.494
  155    H4*    C  15           H4*        C  15  49.972  49.500 -99.201
  156    H3*    C  15           H3*        C  15  52.932  49.020 -99.250
  157   1H2*    C  15          1H2*        C  15  52.686  46.742 -99.143
  158   2HO*    C  15          2HO*        C  15  50.618  45.811 -98.500
  159    H1*    C  15           H1*        C  15  50.280  46.510-100.471
  160   1H4     C  15          1H4         C  15  54.335  43.920-104.526
  161   2H4     C  15          2H4         C  15  54.626  45.501-105.225
  162    H5     C  15           H5         C  15  53.907  47.562-104.181
  163    H6     C  15           H6         C  15  52.574  48.536-102.377
  164   1H5*    C  16          1H5*        C  16  53.574  47.234 -94.409
  165   2H5*    C  16          2H5*        C  16  52.029  47.382 -95.235
  166    H4*    C  16           H4*        C  16  52.294  45.088 -95.162
  167    H3*    C  16           H3*        C  16  55.213  45.716 -95.397
  168   1H2*    C  16          1H2*        C  16  55.666  43.758 -96.494
  169   2HO*    C  16          2HO*        C  16  54.031  42.011 -96.445
  170    H1*    C  16           H1*        C  16  53.239  43.381 -97.734
  171   1H4     C  16          1H4         C  16  57.071  46.126-102.262
  172   2H4     C  16          2H4         C  16  57.318  44.400-102.429
  173    H5     C  16           H5         C  16  55.871  47.121-100.418
  174    H6     C  16           H6         C  16  54.584  46.654 -98.370
  175   1H5*    C  17          1H5*        C  17  57.096  42.402 -91.573
  176   2H5*    C  17          2H5*        C  17  55.429  42.210 -92.098
  177    H4*    C  17           H4*        C  17  56.301  40.153 -92.670
  178    H3*    C  17           H3*        C  17  58.863  41.666 -93.046
  179   1H2*    C  17          1H2*        C  17  59.623  40.262 -94.700
  180   2HO*    C  17          2HO*        C  17  58.618  38.159 -95.014
  181    H1*    C  17           H1*        C  17  57.202  39.562 -95.849
  182   1H4     C  17          1H4         C  17  59.040  44.839 -99.244
  183   2H4     C  17          2H4         C  17  59.764  43.489-100.085
  184    H5     C  17           H5         C  17  58.041  44.653 -97.068
  185    H6     C  17           H6         C  17  57.366  43.111 -95.294
  186   1H5*    C  18          1H5*        C  18  61.778  37.563 -92.522
  187   2H5*    C  18          2H5*        C  18  60.049  37.708 -92.798
  188    H4*    C  18           H4*        C  18  60.753  37.033 -94.881
  189    H3*    C  18           H3*        C  18  63.287  38.465 -94.179
  190   1H2*    C  18          1H2*        C  18  63.748  39.023 -96.367
  191   2HO*    C  18          2HO*        C  18  62.073  36.817 -96.993
  192    H1*    C  18           H1*        C  18  61.120  39.166 -97.330
  193   1H4     C  18          1H4         C  18  62.956  45.183 -97.529
  194   2H4     C  18          2H4         C  18  62.458  45.383 -95.861
  195    H5     C  18           H5         C  18  61.835  43.536 -94.437
  196    H6     C  18           H6         C  18  61.532  41.112 -94.314
  197   1H5*    C  19          1H5*        C  19  65.649  34.840 -97.272
  198   2H5*    C  19          2H5*        C  19  63.989  35.356 -97.009
  199    H4*    C  19           H4*        C  19  64.380  36.044 -99.190
  200    H3*    C  19           H3*        C  19  67.165  36.505 -98.205
  201   1H2*    C  19          1H2*        C  19  67.538  38.275 -99.617
  202   2HO*    C  19          2HO*        C  19  65.461  37.145-101.190
  203    H1*    C  19           H1*        C  19  64.924  39.184 -99.864
  204   1H4     C  19          1H4         C  19  67.716  43.876 -96.756
  205   2H4     C  19          2H4         C  19  67.414  43.052 -95.241
  206    H5     C  19           H5         C  19  66.662  40.761 -95.112
  207    H6     C  19           H6         C  19  65.902  38.822 -96.408
  208   1H5*    C  20          1H5*        C  20  69.593  34.767-102.663
  209   2H5*    C  20          2H5*        C  20  67.883  35.175-102.686
  210    H4*    C  20           H4*        C  20  68.723  36.658-104.254
  211    H3*    C  20           H3*        C  20  71.152  36.524-102.548
  212   1H2*    C  20          1H2*        C  20  71.825  38.650-102.947
  213   2HO*    C  20          2HO*        C  20  70.221  38.474-105.297
  214    H1*    C  20           H1*        C  20  69.354  39.817-103.392
  215   1H4     C  20          1H4         C  20  71.072  42.332 -97.894
  216   2H4     C  20          2H4         C  20  70.498  40.901 -97.059
  217    H5     C  20           H5         C  20  69.873  38.871 -98.217
  218    H6     C  20           H6         C  20  69.442  37.853-100.410
  219   1H5*    C  21          1H5*        C  21  74.043  36.365-106.256
  220   2H5*    C  21          2H5*        C  21  72.998  37.400-105.245
  221    H4*    C  21           H4*        C  21  75.352  38.224-105.566
  222    H3*    C  21           H3*        C  21  75.921  35.667-104.125
  223   1H2*    C  21          1H2*        C  21  77.504  36.660-102.766
  224   2HO*    C  21          2HO*        C  21  78.616  37.521-104.641
  225    H1*    C  21           H1*        C  21  76.460  39.302-102.828
  226   1H4     C  21          1H4         C  21  76.465  36.764 -96.924
  227   2H4     C  21          2H4         C  21  74.719  36.823 -97.018
  228    H5     C  21           H5         C  21  73.535  37.392 -99.024
  229    H6     C  21           H6         C  21  73.731  38.037-101.385
  230   1H5*    U  22          1H5*        U  22  79.741  34.554-107.684
  231   2H5*    U  22          2H5*        U  22  80.267  36.152-107.076
  232    H4*    U  22           H4*        U  22  81.892  35.125-105.612
  233    H3*    U  22           H3*        U  22  82.001  34.951-108.429
  234   1H2*    U  22          1H2*        U  22  81.832  32.710-108.710
  235   2HO*    U  22          2HO*        U  22  83.814  32.115-109.073
  236    H1*    U  22           H1*        U  22  82.906  31.928-106.052
  237    H3     U  22           H3         U  22  81.698  28.002-108.130
  238    H5     U  22           H5         U  22  78.090  29.884-107.031
  239    H6     U  22           H6         U  22  79.366  31.861-106.467
  240   1H5*    U  23          1H5*        U  23  85.174  33.003-108.426
  241   2H5*    U  23          2H5*        U  23  85.765  33.666-109.978
  242    H4*    U  23           H4*        U  23  87.372  32.046-109.366
  243    H3*    U  23           H3*        U  23  86.868  33.054-106.599
  244   1H2*    U  23          1H2*        U  23  89.036  32.833-105.910
  245   2HO*    U  23          2HO*        U  23  89.000  30.754-107.664
  246    H1*    U  23           H1*        U  23  90.339  33.441-108.216
  247    H3     U  23           H3         U  23  91.300  36.504-104.935
  248    H5     U  23           H5         U  23  87.872  37.933-106.932
  249    H6     U  23           H6         U  23  87.723  35.793-108.065
  250   1H5*    U  24          1H5*        U  24  88.003  29.337-104.443
  251   2H5*    U  24          2H5*        U  24  88.667  30.729-105.340
  252    H4*    U  24           H4*        U  24  89.354  30.103-102.801
  253    H3*    U  24           H3*        U  24  86.917  31.844-102.676
  254   1H2*    U  24          1H2*        U  24  87.820  33.164-101.047
  255   2HO*    U  24          2HO*        U  24  88.601  30.927-100.048
  256    H1*    U  24           H1*        U  24  90.520  32.857-101.742
  257    H3     U  24           H3         U  24  90.041  37.302-101.524
  258    H5     U  24           H5         U  24  87.510  36.226-104.715
  259    H6     U  24           H6         U  24  88.025  33.907-104.261
  260   1H5*    U  25          1H5*        U  25  84.851  29.689 -98.124
  261   2H5*    U  25          2H5*        U  25  86.465  29.209 -98.620
  262    H4*    U  25           H4*        U  25  86.865  29.991 -96.491
  263    H3*    U  25           H3*        U  25  84.709  32.008 -97.065
  264   1H2*    U  25          1H2*        U  25  85.572  33.368 -95.369
  265   2HO*    U  25          2HO*        U  25  86.654  30.951 -94.468
  266    H1*    U  25           H1*        U  25  88.200  32.816 -95.860
  267    H3     U  25           H3         U  25  87.501  37.301 -96.380
  268    H5     U  25           H5         U  25  86.614  35.562-100.104
  269    H6     U  25           H6         U  25  86.715  33.373 -99.047
  270   1H5*    C  26          1H5*        C  26  81.309  31.839 -93.362
  271   2H5*    C  26          2H5*        C  26  82.924  31.174 -93.164
  272    H4*    C  26           H4*        C  26  83.031  33.110 -91.894
  273    H3*    C  26           H3*        C  26  81.169  34.222 -93.961
  274   1H2*    C  26          1H2*        C  26  81.997  36.360 -93.766
  275   2HO*    C  26          2HO*        C  26  82.822  35.478 -91.218
  276    H1*    C  26           H1*        C  26  84.620  35.789 -93.242
  277   1H4     C  26          1H4         C  26  84.848  37.638 -99.248
  278   2H4     C  26          2H4         C  26  84.555  35.989 -99.759
  279    H5     C  26           H5         C  26  83.834  34.245 -98.248
  280    H6     C  26           H6         C  26  83.428  33.671 -95.904
  281   1H5*    C  27          1H5*        C  27  78.164  37.146 -90.965
  282   2H5*    C  27          2H5*        C  27  79.719  36.426 -90.568
  283    H4*    C  27           H4*        C  27  80.316  38.628 -90.892
  284    H3*    C  27           H3*        C  27  78.108  38.668 -92.932
  285   1H2*    C  27          1H2*        C  27  79.164  40.294 -94.184
  286   2HO*    C  27          2HO*        C  27  80.229  41.002 -91.689
  287    H1*    C  27           H1*        C  27  81.818  39.651 -93.479
  288   1H4     C  27          1H4         C  27  81.603  38.493 -99.642
  289   2H4     C  27          2H4         C  27  81.206  36.825 -99.287
  290    H5     C  27           H5         C  27  80.509  36.070 -97.100
  291    H6     C  27           H6         C  27  80.252  36.707 -94.748
  292   1H5*    G  28          1H5*        G  28  76.408  43.616 -91.520
  293   2H5*    G  28          2H5*        G  28  77.942  42.952 -90.976
  294    H4*    G  28           H4*        G  28  78.670  44.789 -92.171
  295    H3*    G  28           H3*        G  28  76.193  44.338 -93.791
  296   1H2*    G  28          1H2*        G  28  77.111  45.117 -95.741
  297   2HO*    G  28          2HO*        G  28  78.941  46.457 -94.034
  298    H1*    G  28           H1*        G  28  79.742  44.339 -95.358
  299    H8     G  28           H8         G  28  77.388  41.479 -94.716
  300    H1     G  28           H1         G  28  78.703  42.322-100.897
  301   1H2     G  28          1H2         G  28  79.870  45.454 -99.910
  302   2H2     G  28          2H2         G  28  79.591  44.330-101.223
  303   1H5*    A  29          1H5*        A  29  75.469  49.658 -94.493
  304   2H5*    A  29          2H5*        A  29  76.924  48.895 -93.863
  305    H4*    A  29           H4*        A  29  77.727  49.832 -95.822
  306    H3*    A  29           H3*        A  29  74.932  49.381 -96.780
  307   1H2*    A  29          1H2*        A  29  75.534  49.032 -98.968
  308   2HO*    A  29          2HO*        A  29  77.857  50.491 -98.255
  309    H1*    A  29           H1*        A  29  78.000  47.828 -98.564
  310    H8     A  29           H8         A  29  75.373  46.213 -96.414
  311   1H6     A  29          1H6         A  29  74.383  42.413-101.153
  312   2H6     A  29          2H6         A  29  74.175  42.645 -99.431
  313    H2     A  29           H2         A  29  76.713  45.953-102.663
  314   1H5*    G  30          1H5*        G  30  73.631  52.699 -99.876
  315   2H5*    G  30          2H5*        G  30  75.285  52.165 -99.623
  316    H4*    G  30           H4*        G  30  74.643  51.150-101.637
  317    H3*    G  30           H3*        G  30  72.030  50.690-100.232
  318   1H2*    G  30          1H2*        G  30  71.610  48.788-101.469
  319   2HO*    G  30          2HO*        G  30  73.817  49.312-103.174
  320    H1*    G  30           H1*        G  30  74.198  47.842-101.594
  321    H8     G  30           H8         G  30  73.242  48.880 -98.068
  322    H1     G  30           H1         G  30  71.258  43.055 -99.731
  323   1H2     G  30          1H2         G  30  72.002  44.107-102.964
  324   2H2     G  30          2H2         G  30  71.402  42.832-101.926
  325   1H5*    G  31          1H5*        G  31  69.155  51.755-104.497
  326   2H5*    G  31          2H5*        G  31  70.867  51.437-104.248
  327    H4*    G  31           H4*        G  31  70.120  49.465-105.213
  328    H3*    G  31           H3*        G  31  67.618  49.987-103.648
  329   1H2*    G  31          1H2*        G  31  67.156  47.732-103.432
  330   2HO*    G  31          2HO*        G  31  68.771  47.476-105.754
  331    H1*    G  31           H1*        G  31  69.806  46.787-103.502
  332    H8     G  31           H8         G  31  69.367  49.260-100.727
  333    H1     G  31           H1         G  31  67.381  43.383 -99.237
  334   1H2     G  31          1H2         G  31  67.375  42.857-102.685
  335   2H2     G  31          2H2         G  31  67.069  42.201-101.092
  336   1H5*    G  32          1H5*        G  32  65.141  47.722-107.912
  337   2H5*    G  32          2H5*        G  32  66.829  47.830-107.440
  338    H4*    G  32           H4*        G  32  66.495  45.549-107.401
  339    H3*    G  32           H3*        G  32  63.701  46.290-106.644
  340   1H2*    G  32          1H2*        G  32  63.367  44.403-105.366
  341   2HO*    G  32          2HO*        G  32  65.008  42.610-105.625
  342    H1*    G  32           H1*        G  32  65.983  43.974-104.512
  343    H8     G  32           H8         G  32  64.857  47.481-103.776
  344    H1     G  32           H1         G  32  63.163  43.291 -99.285
  345   1H2     G  32          1H2         G  32  63.849  40.878-101.702
  346   2H2     G  32          2H2         G  32  63.311  41.229-100.074
  347   1H5*    U  33          1H5*        U  33  61.574  42.476-107.927
  348   2H5*    U  33          2H5*        U  33  60.503  43.752-108.591
  349    H4*    U  33           H4*        U  33  60.413  41.112-109.295
  350    H3*    U  33           H3*        U  33  62.691  42.112-110.647
  351   1H2*    U  33          1H2*        U  33  61.684  43.245-112.340
  352   2HO*    U  33          2HO*        U  33  60.943  40.588-113.093
  353    H1*    U  33           H1*        U  33  59.140  41.712-112.330
  354    H3     U  33           H3         U  33  57.432  44.870-114.986
  355    H5     U  33           H5         U  33  59.640  47.121-112.188
  356    H6     U  33           H6         U  33  60.355  45.033-111.172
  357   1H5*    C  34          1H5*        C  34  64.315  40.923-113.689
  358   2H5*    C  34          2H5*        C  34  64.610  41.458-112.009
  359    H4*    C  34           H4*        C  34  66.298  39.242-113.158
  360    H3*    C  34           H3*        C  34  66.477  41.318-111.026
  361   1H2*    C  34          1H2*        C  34  68.686  41.807-111.359
  362   2HO*    C  34          2HO*        C  34  69.519  39.799-112.978
  363    H1*    C  34           H1*        C  34  68.886  41.203-114.103
  364   1H4     C  34          1H4         C  34  67.734  47.586-112.696
  365   2H4     C  34          2H4         C  34  69.146  47.540-113.728
  366    H5     C  34           H5         C  34  66.566  45.603-111.973
  367    H6     C  34           H6         C  34  66.431  43.183-112.151
  368   1H5*    A  35          1H5*        A  35  69.902  37.664-109.807
  369   2H5*    A  35          2H5*        A  35  68.957  38.707-110.910
  370    H4*    A  35           H4*        A  35  71.078  39.603-111.138
  371    H3*    A  35           H3*        A  35  71.653  38.275-108.746
  372   1H2*    A  35          1H2*        A  35  71.286  39.864-107.235
  373   2HO*    A  35          2HO*        A  35  73.135  41.504-107.314
  374    H1*    A  35           H1*        A  35  71.805  42.184-108.998
  375    H8     A  35           H8         A  35  68.492  42.186-108.853
  376   1H6     A  35          1H6         A  35  67.538  44.436-104.673
  377   2H6     A  35          2H6         A  35  68.400  44.521-103.156
  378    H2     A  35           H2         A  35  72.278  42.345-103.741
  379   1H5*    U  36          1H5*        U  36  76.802  39.826-110.584
  380   2H5*    U  36          2H5*        U  36  75.124  40.226-110.906
  381    H4*    U  36           H4*        U  36  76.091  42.294-110.485
  382    H3*    U  36           H3*        U  36  77.710  40.844-108.409
  383   1H2*    U  36          1H2*        U  36  77.877  42.743-107.107
  384   2HO*    U  36          2HO*        U  36  77.535  44.044-109.565
  385    H1*    U  36           H1*        U  36  75.436  43.887-107.747
  386    H3     U  36           H3         U  36  75.682  43.409-103.235
  387    H5     U  36           H5         U  36  74.157  39.804-104.773
  388    H6     U  36           H6         U  36  74.823  40.514-106.978
  389   1H5*    C  37          1H5*        C  37  82.013  43.572-109.421
  390   2H5*    C  37          2H5*        C  37  80.315  43.717-109.858
  391    H4*    C  37           H4*        C  37  80.585  45.276-108.141
  392    H3*    C  37           H3*        C  37  82.330  43.186-106.845
  393   1H2*    C  37          1H2*        C  37  81.752  43.943-104.747
  394   2HO*    C  37          2HO*        C  37  80.919  46.057-104.418
  395    H1*    C  37           H1*        C  37  79.197  44.919-105.391
  396   1H4     C  37          1H4         C  37  78.396  40.311-101.173
  397   2H4     C  37          2H4         C  37  78.153  39.181-102.486
  398    H5     C  37           H5         C  37  78.627  39.711-104.792
  399    H6     C  37           H6         C  37  79.278  41.490-106.343
  400   1H5*    G  38          1H5*        G  38  85.824  46.740-104.804
  401   2H5*    G  38          2H5*        G  38  84.263  47.244-105.435
  402    H4*    G  38           H4*        G  38  84.028  47.899-103.240
  403    H3*    G  38           H3*        G  38  85.969  45.684-102.681
  404   1H2*    G  38          1H2*        G  38  85.125  45.229-100.595
  405   2HO*    G  38          2HO*        G  38  83.593  46.811 -99.624
  406    H1*    G  38           H1*        G  38  82.463  45.823-101.039
  407    H8     G  38           H8         G  38  83.871  43.544-103.716
  408    H1     G  38           H1         G  38  81.972  40.478 -98.462
  409   1H2     G  38          1H2         G  38  82.063  43.628 -96.975
  410   2H2     G  38          2H2         G  38  81.764  41.915 -96.786
  411   1H5*    G  39          1H5*        G  39  88.399  48.038 -98.763
  412   2H5*    G  39          2H5*        G  39  86.895  48.403 -99.602
  413    H4*    G  39           H4*        G  39  86.091  47.391 -97.683
  414    H3*    G  39           H3*        G  39  88.687  45.925 -97.737
  415   1H2*    G  39          1H2*        G  39  87.764  43.913 -97.043
  416   2HO*    G  39          2HO*        G  39  85.906  43.941 -95.667
  417    H1*    G  39           H1*        G  39  85.058  44.444 -97.531
  418    H8     G  39           H8         G  39  86.870  43.950-100.775
  419    H1     G  39           H1         G  39  85.068  38.615 -97.802
  420   1H2     G  39          1H2         G  39  84.657  39.046 -95.667
  421   2H2     G  39          2H2         G  39  84.823  40.652 -94.995
  422   1H5*    A  40          1H5*        A  40  90.783  46.277 -93.496
  423   2H5*    A  40          2H5*        A  40  90.075  47.239 -92.202
  424    H4*    A  40           H4*        A  40  89.723  45.355 -91.008
  425    H3*    A  40           H3*        A  40  90.892  44.053 -93.488
  426   1H2*    A  40          1H2*        A  40  90.379  41.933 -92.572
  427   2HO*    A  40          2HO*        A  40  89.428  41.752 -90.492
  428    H1*    A  40           H1*        A  40  87.846  42.511 -92.077
  429    H8     A  40           H8         A  40  88.968  44.493 -95.028
  430   1H6     A  40          1H6         A  40  87.879  39.422 -98.381
  431   2H6     A  40          2H6         A  40  88.065  41.162 -98.436
  432    H2     A  40           H2         A  40  87.987  38.229 -94.048
  433   1H5*    A  41          1H5*        A  41  92.987  41.763 -89.400
  434   2H5*    A  41          2H5*        A  41  91.575  42.637 -90.066
  435    H4*    A  41           H4*        A  41  90.804  40.522 -89.205
  436    H3*    A  41           H3*        A  41  93.214  39.513 -90.638
  437   1H2*    A  41          1H2*        A  41  92.202  37.642 -91.471
  438   2HO*    A  41          2HO*        A  41  90.083  37.897 -89.597
  439    H1*    A  41           H1*        A  41  89.585  38.576 -91.665
  440    H8     A  41           H8         A  41  92.004  40.845 -93.433
  441   1H6     A  41          1H6         A  41  92.223  38.612 -97.705
  442   2H6     A  41          2H6         A  41  91.717  37.029 -98.249
  443    H2     A  41           H2         A  41  89.807  34.995 -94.731
  444   1H5*    C  42          1H5*        C  42  93.412  35.777 -88.094
  445   2H5*    C  42          2H5*        C  42  92.526  36.323 -89.548
  446    H4*    C  42           H4*        C  42  93.805  33.939 -89.359
  447    H3*    C  42           H3*        C  42  95.817  35.982 -90.203
  448   1H2*    C  42          1H2*        C  42  96.484  34.848 -92.028
  449   2HO*    C  42          2HO*        C  42  96.910  32.807 -91.900
  450    H1*    C  42           H1*        C  42  94.215  33.433 -92.635
  451   1H4     C  42          1H4         C  42  94.729  37.696 -97.300
  452   2H4     C  42          2H4         C  42  94.786  39.021 -96.160
  453    H5     C  42           H5         C  42  94.697  38.718 -93.781
  454    H6     C  42           H6         C  42  94.535  37.084 -91.964
  455   1H5*    C  43          1H5*        C  43  98.005  31.674 -88.975
  456   2H5*    C  43          2H5*        C  43  97.021  32.609 -90.140
  457    H4*    C  43           H4*        C  43  98.787  30.688 -90.865
  458    H3*    C  43           H3*        C  43 100.282  33.249 -90.513
  459   1H2*    C  43          1H2*        C  43 101.303  33.163 -92.545
  460   2HO*    C  43          2HO*        C  43 101.466  30.585 -91.988
  461    H1*    C  43           H1*        C  43  99.319  31.811 -93.990
  462   1H4     C  43          1H4         C  43  99.528  37.841 -95.987
  463   2H4     C  43          2H4         C  43  98.958  38.428 -94.441
  464    H5     C  43           H5         C  43  98.565  36.997 -92.550
  465    H6     C  43           H6         C  43  98.474  34.649 -91.767
  466   1H5*    A  44          1H5*        A  44 102.844  28.698 -88.344
  467   2H5*    A  44          2H5*        A  44 101.893  29.384 -89.694
  468    H4*    A  44           H4*        A  44 103.912  28.205 -90.491
  469    H3*    A  44           H3*        A  44 105.162  29.762 -88.362
  470   1H2*    A  44          1H2*        A  44 106.287  31.232 -89.582
  471   2HO*    A  44          2HO*        A  44 108.084  30.270 -90.081
  472    H1*    A  44           H1*        A  44 105.726  30.126 -92.259
  473    H8     A  44           H8         A  44 103.273  32.646 -91.247
  474   1H6     A  44          1H6         A  44 105.489  36.711 -92.622
  475   2H6     A  44          2H6         A  44 107.128  37.071 -93.116
  476    H2     A  44           H2         A  44 109.417  33.204 -92.949
  477    H3T    A  44           H3T        A  44 105.382  27.470 -88.838
   
  Start of MODEL   24
    1   1H5*    G   1          1H5*        G   1  62.688  39.881-112.971
    2   2H5*    G   1          2H5*        G   1  63.168  40.832-111.544
    3    H4*    G   1           H4*        G   1  63.401  38.131-111.727
    4    H3*    G   1           H3*        G   1  60.613  38.760-110.914
    5   1H2*    G   1          1H2*        G   1  60.629  37.506-108.944
    6   2HO*    G   1          2HO*        G   1  62.092  35.893-108.562
    7    H1*    G   1           H1*        G   1  63.069  38.070-108.052
    8    H8     G   1           H8         G   1  62.069  41.241-109.691
    9    H1     G   1           H1         G   1  59.992  40.772-103.691
   10   1H2     G   1          1H2         G   1  60.563  37.363-104.044
   11   2H2     G   1          2H2         G   1  60.017  38.674-103.017
   12    H5T    G   1           H5T        G   1  61.070  41.334-112.266
   13   1H5*    G   2          1H5*        G   2  58.159  34.903-110.911
   14   2H5*    G   2          2H5*        G   2  59.838  35.276-110.549
   15    H4*    G   2           H4*        G   2  58.763  35.120-108.458
   16    H3*    G   2           H3*        G   2  56.586  36.781-109.725
   17   1H2*    G   2          1H2*        G   2  56.111  37.721-107.662
   18   2HO*    G   2          2HO*        G   2  57.395  35.424-106.578
   19    H1*    G   2           H1*        G   2  58.684  37.531-106.575
   20    H8     G   2           H8         G   2  58.679  39.641-109.665
   21    H1     G   2           H1         G   2  56.489  42.683-104.517
   22   1H2     G   2          1H2         G   2  56.180  39.489-103.160
   23   2H2     G   2          2H2         G   2  55.971  41.211-102.940
   24   1H5*    G   3          1H5*        G   3  53.069  33.378-107.221
   25   2H5*    G   3          2H5*        G   3  54.801  33.685-107.132
   26    H4*    G   3           H4*        G   3  53.916  34.328-105.019
   27    H3*    G   3           H3*        G   3  51.734  35.491-106.699
   28   1H2*    G   3          1H2*        G   3  51.481  37.359-105.391
   29   2HO*    G   3          2HO*        G   3  52.621  35.766-103.332
   30    H1*    G   3           H1*        G   3  54.060  37.540-104.363
   31    H8     G   3           H8         G   3  54.019  37.599-108.125
   32    H1     G   3           H1         G   3  52.906  43.259-105.421
   33   1H2     G   3          1H2         G   3  52.271  41.403-102.544
   34   2H2     G   3          2H2         G   3  52.345  42.981-103.294
   35   1H5*    A   4          1H5*        A   4  48.401  34.032-102.402
   36   2H5*    A   4          2H5*        A   4  50.159  34.046-102.414
   37    H4*    A   4           H4*        A   4  49.590  35.300-100.505
   38    H3*    A   4           H3*        A   4  47.358  36.316-102.227
   39   1H2*    A   4          1H2*        A   4  47.395  38.437-101.333
   40   2HO*    A   4          2HO*        A   4  48.806  37.222 -99.181
   41    H1*    A   4           H1*        A   4  50.085  38.731-100.972
   42    H8     A   4           H8         A   4  49.410  37.131-104.292
   43   1H6     A   4          1H6         A   4  49.084  42.836-106.572
   44   2H6     A   4          2H6         A   4  49.291  41.145-106.967
   45    H2     A   4           H2         A   4  48.849  43.104-102.091
   46   1H5*    G   5          1H5*        G   5  44.007  37.214 -98.510
   47   2H5*    G   5          2H5*        G   5  45.761  37.095 -98.532
   48    H4*    G   5           H4*        G   5  45.329  39.393 -98.270
   49    H3*    G   5           H3*        G   5  43.111  38.873-100.212
   50   1H2*    G   5          1H2*        G   5  43.310  40.930-101.226
   51   2HO*    G   5          2HO*        G   5  44.369  41.686 -98.723
   52    H1*    G   5           H1*        G   5  46.054  41.351-100.790
   53    H8     G   5           H8         G   5  45.531  38.103-102.558
   54    H1     G   5           H1         G   5  45.499  43.115-106.491
   55   1H2     G   5          1H2         G   5  45.163  44.992-105.361
   56   2H2     G   5          2H2         G   5  44.957  45.007-103.620
   57   1H5*    C   6          1H5*        C   6  39.816  41.514 -97.628
   58   2H5*    C   6          2H5*        C   6  41.061  42.173 -98.732
   59    H4*    C   6           H4*        C   6  38.855  43.170 -99.183
   60    H3*    C   6           H3*        C   6  38.068  40.286 -99.297
   61   1H2*    C   6          1H2*        C   6  36.756  40.513-101.155
   62   2HO*    C   6          2HO*        C   6  35.945  42.550-101.827
   63    H1*    C   6           H1*        C   6  38.149  42.490-102.491
   64   1H4     C   6          1H4         C   6  39.476  37.001-105.414
   65   2H4     C   6          2H4         C   6  40.497  36.500-104.084
   66    H5     C   6           H5         C   6  40.754  37.785-102.062
   67    H6     C   6           H6         C   6  40.096  39.831-100.883
   68   1H5*    U   7          1H5*        U   7  33.228  40.973 -98.004
   69   2H5*    U   7          2H5*        U   7  34.404  41.863 -99.014
   70    H4*    U   7           H4*        U   7  32.739  40.967-100.486
   71    H3*    U   7           H3*        U   7  33.094  38.507 -98.822
   72   1H2*    U   7          1H2*        U   7  32.961  37.064-100.600
   73   2HO*    U   7          2HO*        U   7  31.922  37.664-102.554
   74    H1*    U   7           H1*        U   7  33.931  38.766-102.623
   75    H3     U   7           H3         U   7  36.736  35.317-103.094
   76    H5     U   7           H5         U   7  37.580  36.689 -99.201
   77    H6     U   7           H6         U   7  35.749  38.259 -99.423
   78   1H5*    C   8          1H5*        C   8  30.743  35.798 -98.535
   79   2H5*    C   8          2H5*        C   8  29.011  35.727 -98.084
   80    H4*    C   8           H4*        C   8  29.503  34.103 -99.843
   81    H3*    C   8           H3*        C   8  31.045  36.313-100.914
   82   1H2*    C   8          1H2*        C   8  29.826  36.872-102.675
   83   2HO*    C   8          2HO*        C   8  29.284  35.147-104.211
   84    H1*    C   8           H1*        C   8  27.722  34.866-102.563
   85   1H4     C   8          1H4         C   8  24.695  40.190-104.095
   86   2H4     C   8          2H4         C   8  25.646  41.112-102.952
   87    H5     C   8           H5         C   8  27.371  40.118-101.583
   88    H6     C   8           H6         C   8  28.571  38.084-101.026
   89   1H5*    A   9          1H5*        A   9  32.865  32.957-104.546
   90   2H5*    A   9          2H5*        A   9  31.081  33.056-104.537
   91    H4*    A   9           H4*        A   9  32.107  33.146-106.825
   92    H3*    A   9           H3*        A   9  33.386  35.558-105.594
   93   1H2*    A   9          1H2*        A   9  33.068  36.862-107.448
   94   2HO*    A   9          2HO*        A   9  32.718  35.957-109.525
   95    H1*    A   9           H1*        A   9  30.712  35.717-108.404
   96    H8     A   9           H8         A   9  29.652  36.584-105.120
   97   1H6     A   9          1H6         A   9  30.212  42.596-106.339
   98   2H6     A   9          2H6         A   9  29.535  41.412-105.241
   99    H2     A   9           H2         A   9  32.389  40.310-109.541
  100   1H5*    A  10          1H5*        A  10  37.844  34.259-108.672
  101   2H5*    A  10          2H5*        A  10  36.122  33.804-108.852
  102    H4*    A  10           H4*        A  10  36.608  34.855-110.889
  103    H3*    A  10           H3*        A  10  38.386  36.613-109.243
  104   1H2*    A  10          1H2*        A  10  37.943  38.503-110.462
  105   2HO*    A  10          2HO*        A  10  36.863  36.846-112.513
  106    H1*    A  10           H1*        A  10  35.313  38.074-111.102
  107    H8     A  10           H8         A  10  35.661  37.341-107.465
  108   1H6     A  10          1H6         A  10  35.893  43.406-106.429
  109   2H6     A  10          2H6         A  10  35.683  41.834-105.691
  110    H2     A  10           H2         A  10  36.403  42.711-110.838
  111   1H5*    C  11          1H5*        C  11  41.451  37.591-113.253
  112   2H5*    C  11          2H5*        C  11  39.701  37.250-113.111
  113    H4*    C  11           H4*        C  11  39.988  39.496-113.966
  114    H3*    C  11           H3*        C  11  41.959  39.691-111.720
  115   1H2*    C  11          1H2*        C  11  41.345  41.818-111.133
  116   2HO*    C  11          2HO*        C  11  41.538  42.644-113.280
  117    H1*    C  11           H1*        C  11  38.666  41.741-111.795
  118   1H4     C  11          1H4         C  11  39.722  39.971-105.494
  119   2H4     C  11          2H4         C  11  39.003  41.566-105.457
  120    H5     C  11           H5         C  11  40.273  38.820-107.536
  121    H6     C  11           H6         C  11  40.284  38.959-109.982
  122   1H5*    U  12          1H5*        U  12  44.034  43.762-114.624
  123   2H5*    U  12          2H5*        U  12  42.330  43.225-114.707
  124    H4*    U  12           H4*        U  12  42.420  45.629-114.323
  125    H3*    U  12           H3*        U  12  44.330  44.808-112.171
  126   1H2*    U  12          1H2*        U  12  43.525  46.315-110.643
  127   2HO*    U  12          2HO*        U  12  42.327  48.163-111.286
  128    H1*    U  12           H1*        U  12  40.849  46.406-111.474
  129    H3     U  12           H3         U  12  39.982  44.778-107.411
  130    H5     U  12           H5         U  12  43.007  42.192-108.801
  131    H6     U  12           H6         U  12  43.090  43.500-110.847
  132   1H5*    C  13          1H5*        C  13  46.784  49.367-112.336
  133   2H5*    C  13          2H5*        C  13  45.166  48.786-112.712
  134    H4*    C  13           H4*        C  13  45.037  50.176-110.745
  135    H3*    C  13           H3*        C  13  47.398  48.534-109.906
  136   1H2*    C  13          1H2*        C  13  46.717  48.430-107.682
  137   2HO*    C  13          2HO*        C  13  44.972  49.736-106.918
  138    H1*    C  13           H1*        C  13  44.117  48.013-108.043
  139   1H4     C  13          1H4         C  13  46.090  42.025-107.881
  140   2H4     C  13          2H4         C  13  46.397  42.090-109.603
  141    H5     C  13           H5         C  13  46.403  44.141-110.862
  142    H6     C  13           H6         C  13  45.964  46.550-110.775
  143   1H5*    U  14          1H5*        U  14  49.683  51.959-106.873
  144   2H5*    U  14          2H5*        U  14  47.965  51.864-107.240
  145    H4*    U  14           H4*        U  14  48.061  51.318-104.973
  146    H3*    U  14           H3*        U  14  50.605  49.886-105.699
  147   1H2*    U  14          1H2*        U  14  50.264  48.270-104.077
  148   2HO*    U  14          2HO*        U  14  48.512  50.185-102.927
  149    H1*    U  14           H1*        U  14  47.516  48.107-104.211
  150    H3     U  14           H3         U  14  49.096  44.001-105.249
  151    H5     U  14           H5         U  14  49.372  46.214-108.821
  152    H6     U  14           H6         U  14  48.945  48.219-107.538
  153   1H5*    C  15          1H5*        C  15  52.168  51.093-100.800
  154   2H5*    C  15          2H5*        C  15  50.726  51.101-101.812
  155    H4*    C  15           H4*        C  15  50.538  49.235-100.334
  156    H3*    C  15           H3*        C  15  53.398  48.758-101.119
  157   1H2*    C  15          1H2*        C  15  53.138  46.467-101.066
  158   2HO*    C  15          2HO*        C  15  51.283  45.512-100.010
  159    H1*    C  15           H1*        C  15  50.507  46.322-101.862
  160   1H4     C  15          1H4         C  15  53.539  44.178-106.931
  161   2H4     C  15          2H4         C  15  53.656  45.816-107.539
  162    H5     C  15           H5         C  15  53.193  47.763-106.183
  163    H6     C  15           H6         C  15  52.306  48.546-104.040
  164   1H5*    C  16          1H5*        C  16  54.442  46.578 -96.554
  165   2H5*    C  16          2H5*        C  16  53.007  46.961 -97.497
  166    H4*    C  16           H4*        C  16  53.313  44.597 -97.613
  167    H3*    C  16           H3*        C  16  56.170  45.323 -98.213
  168   1H2*    C  16          1H2*        C  16  56.391  43.520 -99.621
  169   2HO*    C  16          2HO*        C  16  54.198  42.425 -98.192
  170    H1*    C  16           H1*        C  16  53.777  43.341-100.474
  171   1H4     C  16          1H4         C  16  56.921  46.555-105.210
  172   2H4     C  16          2H4         C  16  57.076  44.854-105.609
  173    H5     C  16           H5         C  16  56.066  47.342-103.083
  174    H6     C  16           H6         C  16  55.112  46.651-100.923
  175   1H5*    C  17          1H5*        C  17  58.079  41.225 -95.149
  176   2H5*    C  17          2H5*        C  17  56.425  41.432 -95.707
  177    H4*    C  17           H4*        C  17  57.065  39.382 -96.638
  178    H3*    C  17           H3*        C  17  59.726  40.712 -96.965
  179   1H2*    C  17          1H2*        C  17  60.218  39.598 -98.916
  180   2HO*    C  17          2HO*        C  17  58.989  37.672 -99.502
  181    H1*    C  17           H1*        C  17  57.619  39.294 -99.901
  182   1H4     C  17          1H4         C  17  59.535  44.863-102.698
  183   2H4     C  17          2H4         C  17  60.023  43.603-103.809
  184    H5     C  17           H5         C  17  58.787  44.424-100.450
  185    H6     C  17           H6         C  17  58.192  42.676 -98.840
  186   1H5*    C  18          1H5*        C  18  62.259  36.323 -96.366
  187   2H5*    C  18          2H5*        C  18  60.632  36.873 -96.755
  188    H4*    C  18           H4*        C  18  61.657  36.262 -98.814
  189    H3*    C  18           H3*        C  18  64.006  37.791 -97.730
  190   1H2*    C  18          1H2*        C  18  64.583  38.582 -99.816
  191   2HO*    C  18          2HO*        C  18  63.198  36.291-100.731
  192    H1*    C  18           H1*        C  18  62.023  38.626-100.960
  193   1H4     C  18          1H4         C  18  63.559  44.719-100.552
  194   2H4     C  18          2H4         C  18  62.839  44.772 -98.958
  195    H5     C  18           H5         C  18  62.226  42.799 -97.723
  196    H6     C  18           H6         C  18  61.974  40.359 -97.829
  197   1H5*    C  19          1H5*        C  19  66.663  33.796-100.496
  198   2H5*    C  19          2H5*        C  19  65.024  34.429-100.387
  199    H4*    C  19           H4*        C  19  65.722  34.632-102.670
  200    H3*    C  19           H3*        C  19  68.243  35.678-101.429
  201   1H2*    C  19          1H2*        C  19  68.559  37.288-103.056
  202   2HO*    C  19          2HO*        C  19  66.704  35.777-104.600
  203    H1*    C  19           H1*        C  19  65.980  37.986-103.507
  204   1H4     C  19          1H4         C  19  67.881  42.605 -99.653
  205   2H4     C  19          2H4         C  19  67.483  41.610 -98.268
  206    H5     C  19           H5         C  19  66.950  39.262 -98.437
  207    H6     C  19           H6         C  19  66.525  37.406 -99.981
  208   1H5*    C  20          1H5*        C  20  71.287  33.533-105.177
  209   2H5*    C  20          2H5*        C  20  69.594  34.007-105.095
  210    H4*    C  20           H4*        C  20  70.739  35.550-106.546
  211    H3*    C  20           H3*        C  20  72.717  35.567-104.313
  212   1H2*    C  20          1H2*        C  20  73.150  37.790-104.444
  213   2HO*    C  20          2HO*        C  20  72.114  37.605-107.091
  214    H1*    C  20           H1*        C  20  70.687  38.681-105.254
  215   1H4     C  20          1H4         C  20  70.866  40.463 -99.235
  216   2H4     C  20          2H4         C  20  70.196  38.910 -98.781
  217    H5     C  20           H5         C  20  70.066  37.038-100.309
  218    H6     C  20           H6         C  20  70.326  36.334-102.648
  219   1H5*    C  21          1H5*        C  21  76.554  36.061-107.145
  220   2H5*    C  21          2H5*        C  21  75.174  37.066-106.615
  221    H4*    C  21           H4*        C  21  77.325  38.184-106.208
  222    H3*    C  21           H3*        C  21  77.894  35.630-104.747
  223   1H2*    C  21          1H2*        C  21  78.962  36.716-103.020
  224   2HO*    C  21          2HO*        C  21  80.386  37.840-104.440
  225    H1*    C  21           H1*        C  21  77.590  39.186-103.196
  226   1H4     C  21          1H4         C  21  76.476  36.148 -97.655
  227   2H4     C  21          2H4         C  21  74.817  36.017 -98.195
  228    H5     C  21           H5         C  21  74.109  36.592-100.416
  229    H6     C  21           H6         C  21  74.808  37.440-102.607
  230   1H5*    U  22          1H5*        U  22  82.236  37.681-107.152
  231   2H5*    U  22          2H5*        U  22  82.260  39.185-106.180
  232    H4*    U  22           H4*        U  22  84.025  38.219-104.749
  233    H3*    U  22           H3*        U  22  84.308  39.124-107.395
  234   1H2*    U  22          1H2*        U  22  84.846  37.184-108.438
  235   2HO*    U  22          2HO*        U  22  86.852  38.085-108.536
  236    H1*    U  22           H1*        U  22  86.074  35.860-106.071
  237    H3     U  22           H3         U  22  85.987  33.242-110.027
  238    H5     U  22           H5         U  22  82.526  32.475-107.747
  239    H6     U  22           H6         U  22  83.069  34.409-106.391
  240   1H5*    U  23          1H5*        U  23  88.133  37.983-107.624
  241   2H5*    U  23          2H5*        U  23  89.095  39.301-108.360
  242    H4*    U  23           H4*        U  23  90.538  37.453-107.571
  243    H3*    U  23           H3*        U  23  88.983  37.930-105.080
  244   1H2*    U  23          1H2*        U  23  90.747  37.892-103.681
  245   2HO*    U  23          2HO*        U  23  92.696  36.800-104.200
  246    H1*    U  23           H1*        U  23  92.774  38.717-105.380
  247    H3     U  23           H3         U  23  93.114  41.814-102.148
  248    H5     U  23           H5         U  23  89.217  42.406-103.642
  249    H6     U  23           H6         U  23  89.550  40.481-105.086
  250   1H5*    U  24          1H5*        U  24  89.432  32.466-105.140
  251   2H5*    U  24          2H5*        U  24  90.527  33.833-105.502
  252    H4*    U  24           H4*        U  24  91.490  31.987-104.044
  253    H3*    U  24           H3*        U  24  89.328  33.068-102.283
  254   1H2*    U  24          1H2*        U  24  90.622  32.947-100.401
  255   2HO*    U  24          2HO*        U  24  92.356  31.180-101.822
  256    H1*    U  24           H1*        U  24  93.091  33.416-101.625
  257    H3     U  24           H3         U  24  92.458  36.368 -98.213
  258    H5     U  24           H5         U  24  90.121  37.851-101.385
  259    H6     U  24           H6         U  24  90.641  35.819-102.634
  260   1H5*    U  25          1H5*        U  25  86.800  29.336-100.345
  261   2H5*    U  25          2H5*        U  25  88.546  29.376-100.529
  262    H4*    U  25           H4*        U  25  88.055  29.618 -98.205
  263    H3*    U  25           H3*        U  25  86.126  31.746 -99.124
  264   1H2*    U  25          1H2*        U  25  86.455  32.892 -97.115
  265   2HO*    U  25          2HO*        U  25  87.537  30.430 -96.206
  266    H1*    U  25           H1*        U  25  89.122  32.388 -96.870
  267    H3     U  25           H3         U  25  88.556  36.877 -97.231
  268    H5     U  25           H5         U  25  88.689  35.428-101.186
  269    H6     U  25           H6         U  25  88.545  33.177-100.296
  270   1H5*    C  26          1H5*        C  26  82.388  30.792 -95.815
  271   2H5*    C  26          2H5*        C  26  84.116  30.472 -95.816
  272    H4*    C  26           H4*        C  26  83.779  32.234 -94.269
  273    H3*    C  26           H3*        C  26  81.985  33.368 -96.403
  274   1H2*    C  26          1H2*        C  26  82.524  35.522 -95.793
  275   2HO*    C  26          2HO*        C  26  83.290  34.374 -93.309
  276    H1*    C  26           H1*        C  26  85.108  35.041 -94.888
  277   1H4     C  26          1H4         C  26  85.888  38.598-100.035
  278   2H4     C  26          2H4         C  26  85.917  37.150-101.020
  279    H5     C  26           H5         C  26  85.268  34.976-100.190
  280    H6     C  26           H6         C  26  84.677  33.687 -98.194
  281   1H5*    C  27          1H5*        C  27  78.623  34.987 -92.469
  282   2H5*    C  27          2H5*        C  27  80.282  34.401 -92.493
  283    H4*    C  27           H4*        C  27  80.383  36.655 -91.751
  284    H3*    C  27           H3*        C  27  78.463  37.172 -94.012
  285   1H2*    C  27          1H2*        C  27  79.343  39.269 -94.384
  286   2HO*    C  27          2HO*        C  27  80.337  39.035 -91.731
  287    H1*    C  27           H1*        C  27  81.991  38.696 -93.729
  288   1H4     C  27          1H4         C  27  82.016  39.274-100.016
  289   2H4     C  27          2H4         C  27  81.691  37.559-100.156
  290    H5     C  27           H5         C  27  81.014  36.189 -98.288
  291    H6     C  27           H6         C  27  80.704  36.125 -95.856
  292   1H5*    G  28          1H5*        G  28  75.468  40.702 -91.446
  293   2H5*    G  28          2H5*        G  28  77.115  40.204 -91.084
  294    H4*    G  28           H4*        G  28  77.296  42.466 -91.723
  295    H3*    G  28           H3*        G  28  75.237  41.722 -93.773
  296   1H2*    G  28          1H2*        G  28  76.107  43.124 -95.378
  297   2HO*    G  28          2HO*        G  28  77.704  44.767 -94.731
  298    H1*    G  28           H1*        G  28  78.784  42.956 -94.722
  299    H8     G  28           H8         G  28  77.278  39.516 -94.973
  300    H1     G  28           H1         G  28  78.956  41.979-100.603
  301   1H2     G  28          1H2         G  28  79.050  45.018 -98.906
  302   2H2     G  28          2H2         G  28  79.252  44.167-100.421
  303   1H5*    A  29          1H5*        A  29  73.714  46.840 -93.493
  304   2H5*    A  29          2H5*        A  29  75.135  45.928 -93.010
  305    H4*    A  29           H4*        A  29  75.900  47.433 -94.656
  306    H3*    A  29           H3*        A  29  73.365  46.689 -96.103
  307   1H2*    A  29          1H2*        A  29  74.382  47.012 -98.166
  308   2HO*    A  29          2HO*        A  29  76.208  48.590 -96.679
  309    H1*    A  29           H1*        A  29  76.926  46.146 -97.474
  310    H8     A  29           H8         A  29  74.394  43.589 -96.413
  311   1H6     A  29          1H6         A  29  74.969  41.215-102.073
  312   2H6     A  29          2H6         A  29  74.454  40.899-100.430
  313    H2     A  29           H2         A  29  76.715  45.356-102.108
  314   1H5*    G  30          1H5*        G  30  72.544  50.919 -98.501
  315   2H5*    G  30          2H5*        G  30  73.990  50.172 -97.833
  316    H4*    G  30           H4*        G  30  74.050  49.976-100.238
  317    H3*    G  30           H3*        G  30  71.252  48.962 -99.829
  318   1H2*    G  30          1H2*        G  30  71.461  47.418-101.562
  319   2HO*    G  30          2HO*        G  30  73.840  48.820-102.290
  320    H1*    G  30           H1*        G  30  74.013  46.614-101.107
  321    H8     G  30           H8         G  30  72.049  46.948 -97.837
  322    H1     G  30           H1         G  30  71.339  41.393-100.867
  323   1H2     G  30          1H2         G  30  72.727  43.075-103.581
  324   2H2     G  30          2H2         G  30  72.056  41.586-102.956
  325   1H5*    G  31          1H5*        G  31  69.634  51.690-104.313
  326   2H5*    G  31          2H5*        G  31  71.233  51.201-103.755
  327    H4*    G  31           H4*        G  31  70.803  50.015-105.805
  328    H3*    G  31           H3*        G  31  68.128  49.632-104.525
  329   1H2*    G  31          1H2*        G  31  67.877  47.451-105.239
  330   2HO*    G  31          2HO*        G  31  69.457  46.603-106.844
  331    H1*    G  31           H1*        G  31  70.472  46.606-105.022
  332    H8     G  31           H8         G  31  69.457  48.676-102.019
  333    H1     G  31           H1         G  31  67.888  42.516-101.562
  334   1H2     G  31          1H2         G  31  68.429  42.435-104.996
  335   2H2     G  31          2H2         G  31  67.963  41.560-103.553
  336   1H5*    G  32          1H5*        G  32  66.558  48.478-109.605
  337   2H5*    G  32          2H5*        G  32  68.155  48.643-108.889
  338    H4*    G  32           H4*        G  32  68.188  46.430-109.557
  339    H3*    G  32           H3*        G  32  65.241  46.557-109.040
  340   1H2*    G  32          1H2*        G  32  65.061  44.384-108.329
  341   2HO*    G  32          2HO*        G  32  67.416  44.023-109.849
  342    H1*    G  32           H1*        G  32  67.498  44.082-107.079
  343    H8     G  32           H8         G  32  65.868  47.348-106.191
  344    H1     G  32           H1         G  32  64.057  42.558-102.423
  345   1H2     G  32          1H2         G  32  65.290  40.488-104.922
  346   2H2     G  32          2H2         G  32  64.505  40.618-103.360
  347   1H5*    U  33          1H5*        U  33  63.788  42.927-111.411
  348   2H5*    U  33          2H5*        U  33  62.720  44.193-112.095
  349    H4*    U  33           H4*        U  33  62.559  42.073-113.356
  350    H3*    U  33           H3*        U  33  65.323  41.921-112.976
  351   1H2*    U  33          1H2*        U  33  66.054  43.305-114.623
  352   2HO*    U  33          2HO*        U  33  66.252  42.190-116.635
  353    H1*    U  33           H1*        U  33  63.773  42.859-116.486
  354    H3     U  33           H3         U  33  67.022  45.988-117.970
  355    H5     U  33           H5         U  33  63.966  48.002-115.879
  356    H6     U  33           H6         U  33  63.166  45.845-115.104
  357   1H5*    C  34          1H5*        C  34  67.104  37.680-114.597
  358   2H5*    C  34          2H5*        C  34  66.808  38.855-115.917
  359    H4*    C  34           H4*        C  34  69.220  38.295-115.696
  360    H3*    C  34           H3*        C  34  68.632  39.111-112.893
  361   1H2*    C  34          1H2*        C  34  70.512  40.396-112.621
  362   2HO*    C  34          2HO*        C  34  71.632  39.053-114.885
  363    H1*    C  34           H1*        C  34  70.832  41.302-115.237
  364   1H4     C  34          1H4         C  34  67.277  45.164-111.184
  365   2H4     C  34          2H4         C  34  68.558  46.157-111.845
  366    H5     C  34           H5         C  34  66.979  42.830-111.771
  367    H6     C  34           H6         C  34  67.824  40.988-113.099
  368   1H5*    A  35          1H5*        A  35  73.124  37.219-112.221
  369   2H5*    A  35          2H5*        A  35  71.960  38.163-113.188
  370    H4*    A  35           H4*        A  35  73.495  39.783-112.620
  371    H3*    A  35           H3*        A  35  74.317  37.980-110.628
  372   1H2*    A  35          1H2*        A  35  73.197  38.782-108.847
  373   2HO*    A  35          2HO*        A  35  75.341  39.579-108.494
  374    H1*    A  35           H1*        A  35  72.911  41.579-109.814
  375    H8     A  35           H8         A  35  69.952  39.716-110.225
  376   1H6     A  35          1H6         A  35  67.721  40.188-105.997
  377   2H6     A  35          2H6         A  35  68.264  40.681-104.410
  378    H2     A  35           H2         A  35  72.650  41.614-104.760
  379   1H5*    U  36          1H5*        U  36  78.767  41.425-111.075
  380   2H5*    U  36          2H5*        U  36  77.059  41.580-111.454
  381    H4*    U  36           H4*        U  36  77.636  43.595-110.387
  382    H3*    U  36           H3*        U  36  79.199  41.829-108.524
  383   1H2*    U  36          1H2*        U  36  78.849  43.255-106.753
  384   2HO*    U  36          2HO*        U  36  78.504  45.186-108.781
  385    H1*    U  36           H1*        U  36  76.340  44.213-107.499
  386    H3     U  36           H3         U  36  76.064  42.526-103.293
  387    H5     U  36           H5         U  36  75.553  39.269-105.913
  388    H6     U  36           H6         U  36  76.276  40.679-107.726
  389   1H5*    C  37          1H5*        C  37  82.521  45.800-108.103
  390   2H5*    C  37          2H5*        C  37  80.895  45.428-108.662
  391    H4*    C  37           H4*        C  37  80.689  46.638-106.616
  392    H3*    C  37           H3*        C  37  82.707  44.656-105.559
  393   1H2*    C  37          1H2*        C  37  81.770  44.840-103.452
  394   2HO*    C  37          2HO*        C  37  80.743  47.309-104.416
  395    H1*    C  37           H1*        C  37  79.141  45.307-104.295
  396   1H4     C  37          1H4         C  37  79.223  39.702-101.389
  397   2H4     C  37          2H4         C  37  79.467  38.926-102.937
  398    H5     C  37           H5         C  37  80.031  40.136-104.949
  399    H6     C  37           H6         C  37  80.281  42.359-105.939
  400   1H5*    G  38          1H5*        G  38  85.822  48.462-103.189
  401   2H5*    G  38          2H5*        G  38  84.167  48.699-103.735
  402    H4*    G  38           H4*        G  38  84.099  49.150-101.422
  403    H3*    G  38           H3*        G  38  86.018  46.852-101.244
  404   1H2*    G  38          1H2*        G  38  85.171  46.082 -99.246
  405   2HO*    G  38          2HO*        G  38  84.067  48.693 -99.007
  406    H1*    G  38           H1*        G  38  82.514  46.627 -99.634
  407    H8     G  38           H8         G  38  84.039  45.091-102.732
  408    H1     G  38           H1         G  38  82.235  40.802 -98.378
  409   1H2     G  38          1H2         G  38  82.179  43.502 -96.181
  410   2H2     G  38          2H2         G  38  81.951  41.783 -96.412
  411   1H5*    G  39          1H5*        G  39  88.168  48.798 -96.946
  412   2H5*    G  39          2H5*        G  39  86.667  49.022 -97.836
  413    H4*    G  39           H4*        G  39  86.129  47.793 -95.866
  414    H3*    G  39           H3*        G  39  88.519  46.118 -96.622
  415   1H2*    G  39          1H2*        G  39  87.536  44.230 -95.724
  416   2HO*    G  39          2HO*        G  39  85.651  44.411 -94.358
  417    H1*    G  39           H1*        G  39  84.924  44.811 -96.393
  418    H8     G  39           H8         G  39  87.078  45.193 -99.435
  419    H1     G  39           H1         G  39  85.680  39.118 -98.091
  420   1H2     G  39          1H2         G  39  84.980  38.947 -95.994
  421   2H2     G  39          2H2         G  39  84.844  40.333 -94.935
  422   1H5*    A  40          1H5*        A  40  90.623  45.798 -91.628
  423   2H5*    A  40          2H5*        A  40  88.973  46.301 -91.976
  424    H4*    A  40           H4*        A  40  88.602  44.373 -90.747
  425    H3*    A  40           H3*        A  40  91.185  43.465 -91.955
  426   1H2*    A  40          1H2*        A  40  90.572  41.265 -92.051
  427   2HO*    A  40          2HO*        A  40  88.843  40.457 -90.719
  428    H1*    A  40           H1*        A  40  87.813  41.571 -92.294
  429    H8     A  40           H8         A  40  89.589  43.419 -95.030
  430   1H6     A  40          1H6         A  40  89.133  38.195 -98.253
  431   2H6     A  40          2H6         A  40  89.345  39.929 -98.355
  432    H2     A  40           H2         A  40  88.462  37.220 -93.915
  433   1H5*    A  41          1H5*        A  41  90.768  40.703 -87.324
  434   2H5*    A  41          2H5*        A  41  89.638  41.531 -88.435
  435    H4*    A  41           H4*        A  41  88.817  39.289 -88.064
  436    H3*    A  41           H3*        A  41  91.678  38.555 -88.525
  437   1H2*    A  41          1H2*        A  41  91.210  36.699 -89.791
  438   2HO*    A  41          2HO*        A  41  89.146  35.702 -89.754
  439    H1*    A  41           H1*        A  41  88.974  37.559 -91.098
  440    H8     A  41           H8         A  41  91.883  40.007 -90.818
  441   1H6     A  41          1H6         A  41  94.276  38.814 -94.837
  442   2H6     A  41          2H6         A  41  94.084  37.523 -96.002
  443    H2     A  41           H2         A  41  90.557  35.081 -94.673
  444   1H5*    C  42          1H5*        C  42  91.402  34.406 -85.859
  445   2H5*    C  42          2H5*        C  42  90.488  34.778 -87.351
  446    H4*    C  42           H4*        C  42  91.712  32.570 -87.372
  447    H3*    C  42           H3*        C  42  93.998  34.457 -87.015
  448   1H2*    C  42          1H2*        C  42  95.290  33.474 -88.600
  449   2HO*    C  42          2HO*        C  42  93.717  31.130 -88.331
  450    H1*    C  42           H1*        C  42  93.349  32.416 -90.234
  451   1H4     C  42          1H4         C  42  96.139  36.972 -93.639
  452   2H4     C  42          2H4         C  42  95.730  38.187 -92.450
  453    H5     C  42           H5         C  42  94.566  37.690 -90.404
  454    H6     C  42           H6         C  42  93.542  35.924 -89.050
  455   1H5*    C  43          1H5*        C  43  96.292  30.064 -85.810
  456   2H5*    C  43          2H5*        C  43  95.166  30.667 -87.062
  457    H4*    C  43           H4*        C  43  97.111  29.398 -87.993
  458    H3*    C  43           H3*        C  43  98.561  31.532 -86.485
  459   1H2*    C  43          1H2*        C  43 100.067  31.958 -88.138
  460   2HO*    C  43          2HO*        C  43  99.314  29.487 -89.347
  461    H1*    C  43           H1*        C  43  98.466  31.559 -90.346
  462   1H4     C  43          1H4         C  43  99.015  37.837 -89.426
  463   2H4     C  43          2H4         C  43  97.883  37.767 -88.094
  464    H5     C  43           H5         C  43  96.963  35.710 -87.251
  465    H6     C  43           H6         C  43  96.880  33.257 -87.549
  466   1H5*    A  44          1H5*        A  44  99.750  30.888 -82.866
  467   2H5*    A  44          2H5*        A  44 101.520  31.063 -83.064
  468    H4*    A  44           H4*        A  44 100.505  33.236 -82.592
  469    H3*    A  44           H3*        A  44  98.515  32.283 -84.499
  470   1H2*    A  44          1H2*        A  44  98.963  33.620 -86.209
  471   2HO*    A  44          2HO*        A  44  98.841  35.741 -84.303
  472    H1*    A  44           H1*        A  44 100.972  35.348 -84.919
  473    H8     A  44           H8         A  44 102.007  32.246 -86.775
  474   1H6     A  44          1H6         A  44 102.962  34.187 -91.097
  475   2H6     A  44          2H6         A  44 102.679  35.772 -91.783
  476    H2     A  44           H2         A  44 100.662  38.228 -88.603
  477    H3T    A  44           H3T        A  44  98.117  33.178 -82.401
   
   
  No H/Q in entry =         477


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