=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 45 rings
        ring        int.           center             anis.    iso.
       HIS 12     0.900    26.938  37.734  22.806  -99.200  -91.000
       TYR 19     0.840    34.562  41.103  34.288  -99.200  -91.000
       TYR 20     0.840    34.376  51.914  35.168  -99.200  -91.000
       HIS 23     0.900    44.292  53.853  38.027  -99.200  -91.000
       TYR 35     0.840    40.132  42.500  36.146  -99.200  -91.000
       HIS 42     0.900    50.372  40.205  47.238  -99.200  -91.000
       HIS 44     0.900    46.362  41.360  44.617  -99.200  -91.000
       TYR 45     0.840    49.087  37.928  37.394  -99.200  -91.000
       TRP 46     1.040    42.173  41.166  39.665  -99.200  -91.000
      TRP6 46     1.020    41.165  41.110  41.773  -99.200  -91.000
       PHE 80     1.000    40.425  51.125  24.800  -99.200  -91.000
       PHE 89     1.000    36.399  61.847  21.309  -99.200  -91.000
       TRP 100     1.040    30.675  51.231  22.681  -99.200  -91.000
      TRP6 100     1.020    30.873  49.732  24.501  -99.200  -91.000
       TYR 107     0.840    32.491  36.803   8.277  -99.200  -91.000
       TYR 112     0.840    17.300  40.277  13.104  -99.200  -91.000
       TRP 116     1.040    18.255  50.350  11.984  -99.200  -91.000
      TRP6 116     1.020    16.844  49.687  13.781  -99.200  -91.000
       PHE 119     1.000    14.101  51.821  10.463  -99.200  -91.000
       TRP 120     1.040    19.025  55.269  10.191  -99.200  -91.000
      TRP6 120     1.020    20.706  56.669   9.298  -99.200  -91.000
       PHE 121     1.000    20.447  55.778   4.496  -99.200  -91.000
       HIS 132     0.900     8.436  49.357  18.667  -99.200  -91.000
       PHE 133     1.000    14.662  51.568  19.628  -99.200  -91.000
       HIS 143     0.900     7.574  44.113  35.261  -99.200  -91.000
       TRP 145     1.040    10.717  53.384  38.182  -99.200  -91.000
      TRP6 145     1.020    11.079  55.502  39.131  -99.200  -91.000
       PHE 156     1.000    12.706  53.528  43.369  -99.200  -91.000
       HIS 180     0.900    13.040  61.898  14.635  -99.200  -91.000
       HIS 182     0.900     6.998  69.482  19.666  -99.200  -91.000
       PHE 195     1.000    17.283  62.131  36.412  -99.200  -91.000
       TYR 204     0.840    20.816  62.067  46.619  -99.200  -91.000
       PHE 207     1.000    19.723  63.806  41.188  -99.200  -91.000
       PHE 222     1.000    26.828  55.174  43.676  -99.200  -91.000
       HIS 225     0.900    30.515  52.642  37.366  -99.200  -91.000
       TYR 228     0.840    30.989  55.018  31.874  -99.200  -91.000
       TYR 231     0.840    25.698  55.193  27.628  -99.200  -91.000
       TRP 239     1.040    29.063  42.762  17.075  -99.200  -91.000
      TRP6 239     1.020    28.973  40.624  18.064  -99.200  -91.000
       HIS 245     0.900    27.602  49.819  18.263  -99.200  -91.000
       HIS 251     0.900    18.928  59.879  22.926  -99.200  -91.000
       PHE 261     1.000    25.107  57.746  23.782  -99.200  -91.000
       PHE 277     1.000    18.215  59.352  42.839  -99.200  -91.000
       PHE 288     1.000    25.037  52.070  40.343  -99.200  -91.000
       PHE 304     1.000    11.928  45.653  26.671  -99.200  -91.000