=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 21 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    43.177  39.160  42.585  -99.200  -91.000
       PHE  2     1.000    40.852  39.536  36.877  -99.200  -91.000
       TYR  9     0.840    29.481  43.941  33.078  -99.200  -91.000
       TYR 16     0.840    18.224  28.650  33.805  -99.200  -91.000
       HIS 22     0.900    13.781  27.963  41.457  -99.200  -91.000
       PHE 23     1.000    14.262  32.748  34.547  -99.200  -91.000
       HIS 42     0.900     9.141  42.978  41.389  -99.200  -91.000
       TYR 56     0.840    27.933  48.811  42.811  -99.200  -91.000
       TYR 65     0.840    22.840  49.675  43.736  -99.200  -91.000
       TYR 75     0.840    21.334  43.741  52.333  -99.200  -91.000
       PHE 86     1.000    27.235  40.133  45.302  -99.200  -91.000
       HIS 94     0.900    28.071  27.066  29.452  -99.200  -91.000
       TYR 95     0.840    26.934  26.359  34.106  -99.200  -91.000
       TYR 98     0.840    27.336  37.062  39.112  -99.200  -91.000
       HIS 103     0.900    31.254  38.817  54.399  -99.200  -91.000
       TRP 108     1.040    30.682  33.404  53.356  -99.200  -91.000
      TRP6 108     1.020    29.792  35.002  54.870  -99.200  -91.000
       PHE 109     1.000    31.485  30.695  45.279  -99.200  -91.000
       HIS 125     0.900    30.493  23.540  48.977  -99.200  -91.000
       TYR 126     0.840    35.561  28.512  43.741  -99.200  -91.000
       PHE 133     1.000    23.062  32.380  39.979  -99.200  -91.000