=============================================================================
          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    44.577  37.707  48.800  -99.200  -91.000
       PHE  2     1.000    41.011  39.540  36.826  -99.200  -91.000
       TYR  9     0.840    29.729  43.795  33.111  -99.200  -91.000
       TYR 16     0.840    18.445  28.532  33.801  -99.200  -91.000
       HIS 22     0.900    13.844  27.985  41.544  -99.200  -91.000
       PHE 23     1.000    14.429  32.803  34.563  -99.200  -91.000
       HIS 42     0.900     9.286  42.939  41.542  -99.200  -91.000
       TYR 56     0.840    28.037  48.881  42.780  -99.200  -91.000
       TYR 65     0.840    23.048  49.826  43.801  -99.200  -91.000
       TYR 75     0.840    21.545  43.768  52.349  -99.200  -91.000
       PHE 86     1.000    27.311  40.247  45.320  -99.200  -91.000
       HIS 94     0.900    28.357  26.948  29.510  -99.200  -91.000
       TYR 95     0.840    27.246  26.257  34.177  -99.200  -91.000
       TYR 98     0.840    27.566  37.033  39.080  -99.200  -91.000
       HIS 103     0.900    31.269  38.793  54.429  -99.200  -91.000
       TRP 108     1.040    30.784  33.498  53.416  -99.200  -91.000
      TRP6 108     1.020    29.862  35.064  54.931  -99.200  -91.000
       PHE 109     1.000    31.595  30.613  45.263  -99.200  -91.000
       HIS 125     0.900    30.377  23.326  48.950  -99.200  -91.000
       TYR 126     0.840    35.604  28.357  43.761  -99.200  -91.000
       PHE 133     1.000    23.273  32.352  40.050  -99.200  -91.000