=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 42 rings
        ring        int.           center             anis.    iso.
       TYR  3     0.840     5.769  30.167  32.330  -99.200  -91.000
       TRP  5     1.040     6.480  33.943  23.667  -99.200  -91.000
      TRP6  5     1.020     7.706  33.852  25.705  -99.200  -91.000
       HIS  7     0.900     5.946  29.049  12.526  -99.200  -91.000
       HIS  9     0.900     6.303  25.604  11.046  -99.200  -91.000
       PHE 46     1.000    19.801  22.578  18.078  -99.200  -91.000
       TYR 55     0.840    17.881  15.184  26.240  -99.200  -91.000
       TYR 59     0.840    12.546  22.201   8.280  -99.200  -91.000
       HIS 84     0.900    31.252   9.878  23.175  -99.200  -91.000
       PHE 86     1.000    29.267  18.274  31.863  -99.200  -91.000
       HIS 98     0.900    26.689  26.578  11.356  -99.200  -91.000
       TYR 109     0.840    32.718  16.972  20.344  -99.200  -91.000
       TRP 111     1.040    24.256  19.306  15.070  -99.200  -91.000
      TRP6 111     1.020    25.108  19.874  17.207  -99.200  -91.000
       HIS 121     0.900    34.012  18.772  11.034  -99.200  -91.000
       HIS 150     0.900    29.947  34.475  10.406  -99.200  -91.000
       TYR 161     0.840    41.870  29.787  16.371  -99.200  -91.000
       TRP 163     1.040    34.601  27.111  11.500  -99.200  -91.000
      TRP6 163     1.020    35.075  27.590  13.774  -99.200  -91.000
       TYR 168     0.840    28.699  40.471   0.144  -99.200  -91.000
       HIS 173     0.900    40.367  35.134   9.219  -99.200  -91.000
       HIS 191     0.900    43.028  45.027  21.308  -99.200  -91.000
       TRP 215     1.040    37.370  45.087  19.261  -99.200  -91.000
      TRP6 215     1.020    39.302  45.919  18.157  -99.200  -91.000
       TRP 217     1.040    34.839  40.666  11.801  -99.200  -91.000
      TRP6 217     1.020    35.106  40.614  14.173  -99.200  -91.000
       TYR 222     0.840    19.216  47.000   4.989  -99.200  -91.000
       PHE 256     1.000    17.890  42.712  15.547  -99.200  -91.000
       TYR 267     0.840    23.837  51.737  24.423  -99.200  -91.000
       TRP 269     1.040    24.856  48.593  15.863  -99.200  -91.000
      TRP6 269     1.020    25.240  47.825  18.090  -99.200  -91.000
       TYR 274     0.840     9.306  43.588   7.794  -99.200  -91.000
       HIS 275     0.900     7.896  48.971  13.919  -99.200  -91.000
       HIS 279     0.900    16.299  52.242  19.008  -99.200  -91.000
       HIS 284     0.900    16.882  50.628   7.080  -99.200  -91.000
       HIS 308     0.900    11.624  36.769  18.439  -99.200  -91.000
       TYR 319     0.840     9.986  45.446  29.977  -99.200  -91.000
       TRP 321     1.040    12.483  45.153  20.669  -99.200  -91.000
      TRP6 321     1.020    13.568  44.818  22.749  -99.200  -91.000
       HIS 360     0.900    11.883  28.771  17.642  -99.200  -91.000
       TRP 364     1.040    15.034  28.550  32.092  -99.200  -91.000
      TRP6 364     1.020    15.776  29.220  29.929  -99.200  -91.000