=============================================================================
          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.
       HIS  5     0.900    10.303  35.647  24.870  -99.200  -91.000
       PHE 12     1.000    19.042  41.197  38.380  -99.200  -91.000
       TYR 18     0.840    13.144  21.214  31.761  -99.200  -91.000
       PHE 52     1.000    35.906   3.695  15.171  -99.200  -91.000
       HIS 54     0.900    42.039  12.151  14.475  -99.200  -91.000
       HIS 57     0.900    38.326  -1.526  14.019  -99.200  -91.000
       TYR 59     0.840    42.494   6.043  21.921  -99.200  -91.000
       HIS 60     0.900    38.371   5.291  18.300  -99.200  -91.000
       PHE 94     1.000    52.541  16.390  10.304  -99.200  -91.000
       TYR 108     0.840    60.101  20.538  -1.347  -99.200  -91.000
       PHE 115     1.000    59.410  10.763   2.162  -99.200  -91.000
       PHE 124     1.000    52.592  18.329   5.168  -99.200  -91.000
       TYR 125     0.840    50.534   9.479   2.626  -99.200  -91.000
       TYR 128     0.840    41.992  12.452  -4.101  -99.200  -91.000
       TYR 140     0.840    45.136  29.857  -2.330  -99.200  -91.000
       TYR 142     0.840    41.332  26.080   0.970  -99.200  -91.000
       HIS 155     0.900    52.372  19.243 -10.752  -99.200  -91.000
       HIS 169     0.900    47.295  25.778  12.700  -99.200  -91.000
       PHE 199     1.000    35.515  -1.933  17.171  -99.200  -91.000
       PHE 209     1.000    27.436  11.418  16.471  -99.200  -91.000
       PHE 212     1.000    34.120  15.265   4.522  -99.200  -91.000
       HIS 242     0.900    27.487  23.318  -3.750  -99.200  -91.000
       TYR 304     0.840    44.333  25.984  22.791  -99.200  -91.000
       PHE 321     1.000    18.666  32.133  22.737  -99.200  -91.000
       TYR 338     0.840    42.028  24.704  32.064  -99.200  -91.000
       TYR 345     0.840    32.407  29.003  31.728  -99.200  -91.000
       TYR 360     0.840     1.657  28.951  23.518  -99.200  -91.000
       PHE 362     1.000    11.906  25.583  18.588  -99.200  -91.000
       PHE 363     1.000     2.315  23.329  21.020  -99.200  -91.000
       HIS 371     0.900    -0.167  17.426   3.880  -99.200  -91.000
       TYR 389     0.840     3.583  25.163  26.046  -99.200  -91.000
       TYR 412     0.840     4.197  18.481  17.377  -99.200  -91.000
       PHE 441     1.000    15.647  -1.541  31.245  -99.200  -91.000
       PHE 442     1.000     7.885  -1.986  33.593  -99.200  -91.000
       HIS 449     0.900     6.295  -9.019  27.943  -99.200  -91.000
       HIS 455     0.900     2.244  -3.094  36.976  -99.200  -91.000
       PHE 463     1.000    13.700  10.176  36.176  -99.200  -91.000
       TYR 469     0.840    12.275  16.953  36.426  -99.200  -91.000
       TYR 475     0.840    -4.416  19.407  36.660  -99.200  -91.000
       HIS 480     0.900    -1.004   4.955  28.495  -99.200  -91.000
       HIS 483     0.900    -6.283  -1.064  28.913  -99.200  -91.000
       TYR 488     0.840    -1.323   4.392  16.366  -99.200  -91.000