=============================================================================
          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    43.681  39.426  42.490  -99.200  -91.000
       PHE  2     1.000    41.434  39.500  37.024  -99.200  -91.000
       TYR  9     0.840    30.068  43.921  33.155  -99.200  -91.000
       TYR 16     0.840    18.465  28.748  33.962  -99.200  -91.000
       HIS 22     0.900    14.229  27.977  41.525  -99.200  -91.000
       PHE 23     1.000    14.674  32.688  34.624  -99.200  -91.000
       HIS 42     0.900     9.575  42.925  41.478  -99.200  -91.000
       TYR 56     0.840    28.467  48.890  42.925  -99.200  -91.000
       TYR 65     0.840    23.368  49.731  43.839  -99.200  -91.000
       TYR 75     0.840    21.901  43.745  52.402  -99.200  -91.000
       PHE 86     1.000    27.806  40.199  45.369  -99.200  -91.000
       HIS 94     0.900    28.588  27.044  29.610  -99.200  -91.000
       TYR 95     0.840    27.588  26.256  34.272  -99.200  -91.000
       TYR 98     0.840    27.933  37.058  39.176  -99.200  -91.000
       HIS 103     0.900    31.730  38.842  54.558  -99.200  -91.000
       TRP 108     1.040    31.175  33.469  53.562  -99.200  -91.000
      TRP6 108     1.020    30.278  35.045  55.085  -99.200  -91.000
       PHE 109     1.000    32.077  30.669  45.381  -99.200  -91.000
       HIS 125     0.900    31.208  23.491  49.145  -99.200  -91.000
       TYR 126     0.840    36.332  28.600  44.077  -99.200  -91.000
       PHE 133     1.000    23.699  32.359  40.063  -99.200  -91.000