=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 26 rings
        ring        int.           center             anis.    iso.
       HIS 10     0.900    66.165  35.498  49.058  -99.200  -91.000
       TYR 14     0.840    65.155  35.724  37.257  -99.200  -91.000
       TYR 17     0.840    56.995  45.974  44.723  -99.200  -91.000
       HIS 26     0.900    46.548  59.125  39.986  -99.200  -91.000
       PHE 33     1.000    62.803  40.463  32.456  -99.200  -91.000
       PHE 39     1.000    70.724  49.689  30.883  -99.200  -91.000
       HIS 45     0.900    51.751  48.658  31.372  -99.200  -91.000
       HIS 58     0.900    59.646  34.419  48.844  -99.200  -91.000
       TRP 67     1.040    64.408  43.259  51.056  -99.200  -91.000
      TRP6 67     1.020    62.684  44.792  51.561  -99.200  -91.000
       PHE 76     1.000    68.052  54.423  28.160  -99.200  -91.000
       HIS 78     0.900    60.148  50.216  20.563  -99.200  -91.000
       TYR 81     0.840    53.835  52.592  25.677  -99.200  -91.000
       TRP 128     1.040    56.833  40.802  44.572  -99.200  -91.000
      TRP6 128     1.020    58.948  40.975  43.553  -99.200  -91.000
       HIS 156     0.900    40.055  37.419  23.430  -99.200  -91.000
       PHE 157     1.000    43.252  40.439  24.744  -99.200  -91.000
       PHE 160     1.000    48.365  38.544  19.754  -99.200  -91.000
       HIS 161     0.900    49.339  44.359  15.343  -99.200  -91.000
       TYR 178     0.840    43.568  41.351  37.484  -99.200  -91.000
       TYR 198     0.840    47.134  43.963  25.619  -99.200  -91.000
       PHE 208     1.000    52.795  37.123  29.478  -99.200  -91.000
       HIS 213     0.900    59.134  42.577  16.556  -99.200  -91.000
       TYR 214     0.840    59.576  44.990  20.559  -99.200  -91.000
       TRP 217     1.040    64.886  49.986  21.478  -99.200  -91.000
      TRP6 217     1.020    64.023  49.505  23.626  -99.200  -91.000