=============================================================================
          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    43.855  38.539  42.606  -99.200  -91.000
       PHE  2     1.000    41.654  38.976  36.708  -99.200  -91.000
       TYR  9     0.840    30.336  43.302  32.727  -99.200  -91.000
       TYR 16     0.840    19.235  27.540  33.619  -99.200  -91.000
       HIS 22     0.900    14.414  27.044  41.359  -99.200  -91.000
       PHE 23     1.000    15.304  31.737  34.339  -99.200  -91.000
       HIS 42     0.900     9.865  41.904  41.206  -99.200  -91.000
       TYR 56     0.840    28.643  48.105  42.528  -99.200  -91.000
       TYR 65     0.840    23.544  48.936  43.459  -99.200  -91.000
       TYR 75     0.840    22.059  43.076  52.107  -99.200  -91.000
       PHE 86     1.000    28.029  39.455  45.025  -99.200  -91.000
       HIS 94     0.900    29.088  26.387  29.417  -99.200  -91.000
       TYR 95     0.840    28.275  25.039  34.117  -99.200  -91.000
       TYR 98     0.840    27.852  35.918  38.814  -99.200  -91.000
       HIS 103     0.900    32.029  38.203  54.203  -99.200  -91.000
       TRP 108     1.040    31.630  32.831  53.231  -99.200  -91.000
      TRP6 108     1.020    30.676  34.362  54.759  -99.200  -91.000
       PHE 109     1.000    32.392  30.020  45.227  -99.200  -91.000
       HIS 125     0.900    31.776  22.812  48.863  -99.200  -91.000
       TYR 126     0.840    36.585  27.900  43.696  -99.200  -91.000
       PHE 133     1.000    23.983  31.509  39.812  -99.200  -91.000