=============================================================================
          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.
       TYR  1     0.840    19.580  15.684   1.185  -99.200  -91.000
       HIS  2     0.900    26.025  13.768  -5.055  -99.200  -91.000
       HIS  5     0.900    33.696  18.762  -9.580  -99.200  -91.000
       TYR 11     0.840    49.425   4.785   4.395  -99.200  -91.000
       TRP 17     1.040    47.720   9.574   4.398  -99.200  -91.000
      TRP6 17     1.020    45.592   8.666   3.913  -99.200  -91.000
       HIS 18     0.900    49.745   6.919  -3.013  -99.200  -91.000
       TYR 25     0.840    28.962  11.940  -4.084  -99.200  -91.000
       HIS 38     0.900    34.896  -8.666   5.391  -99.200  -91.000
       TYR 39     0.840    38.108  -8.105  10.132  -99.200  -91.000
       PHE 44     1.000    32.194  10.309  11.476  -99.200  -91.000
       TYR 50     0.840    30.515  28.305   8.996  -99.200  -91.000
       TRP 52     1.040    32.143  35.051   6.768  -99.200  -91.000
      TRP6 52     1.020    34.090  35.944   7.770  -99.200  -91.000
       PHE 60     1.000    34.118  27.762  14.928  -99.200  -91.000
       PHE 86     1.000    40.725  18.045   7.748  -99.200  -91.000
       TRP 100     1.040    27.472  22.326  -5.844  -99.200  -91.000
      TRP6 100     1.020    25.442  21.120  -5.788  -99.200  -91.000
       TYR 111     0.840    28.603  17.779   7.944  -99.200  -91.000
       PHE 115     1.000    34.041   9.509   3.331  -99.200  -91.000
       PHE 117     1.000    36.725   4.649   2.088  -99.200  -91.000
       TYR 131     0.840    44.613   2.571   6.426  -99.200  -91.000
       TYR 133     0.840    40.696  13.146   3.222  -99.200  -91.000
       TYR 143     0.840    12.240  24.457   4.299  -99.200  -91.000
       PHE 144     1.000    19.839  24.165  11.245  -99.200  -91.000
       TRP 154     1.040    15.697   6.674  25.858  -99.200  -91.000
      TRP6 154     1.020    13.851   5.973  27.160  -99.200  -91.000
       TYR 159     0.840    20.267  -0.792  23.905  -99.200  -91.000
       PHE 172     1.000    35.424   2.866  15.626  -99.200  -91.000
       TYR 176     0.840    29.399   8.849  15.521  -99.200  -91.000
       TRP 196     1.040    24.436   7.918  23.783  -99.200  -91.000
      TRP6 196     1.020    23.892   5.626  23.594  -99.200  -91.000
       TYR 204     0.840    29.784  10.245  37.826  -99.200  -91.000
       PHE 214     1.000    29.174  23.505  27.131  -99.200  -91.000
       PHE 215     1.000    23.998  19.195  32.423  -99.200  -91.000
       PHE 252     1.000    27.632  33.983  31.119  -99.200  -91.000
       TRP 264     1.040    19.789  17.244  33.540  -99.200  -91.000
      TRP6 264     1.020    20.218  16.038  31.551  -99.200  -91.000
       PHE 277     1.000    24.649  25.408  25.810  -99.200  -91.000
       HIS 293     0.900    17.190   8.505  34.935  -99.200  -91.000
       PHE 298     1.000    14.855  15.549  34.451  -99.200  -91.000
       PHE 324     1.000    28.518  39.643  17.690  -99.200  -91.000
       HIS 328     0.900    39.245  33.743  21.816  -99.200  -91.000
       TRP 330     1.040    38.335  29.987  17.734  -99.200  -91.000
      TRP6 330     1.020    36.502  30.538  19.135  -99.200  -91.000