=============================================================================
          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    43.882  39.278  42.181  -99.200  -91.000
       PHE  2     1.000    41.434  39.493  36.813  -99.200  -91.000
       TYR  9     0.840    30.216  44.039  32.877  -99.200  -91.000
       TYR 16     0.840    18.728  28.557  33.751  -99.200  -91.000
       HIS 22     0.900    14.135  27.955  41.382  -99.200  -91.000
       PHE 23     1.000    14.872  32.704  34.510  -99.200  -91.000
       HIS 42     0.900     9.770  42.894  41.390  -99.200  -91.000
       TYR 56     0.840    28.495  48.939  42.629  -99.200  -91.000
       TYR 65     0.840    23.364  49.829  43.546  -99.200  -91.000
       TYR 75     0.840    21.999  43.875  52.154  -99.200  -91.000
       PHE 86     1.000    27.809  40.258  45.167  -99.200  -91.000
       HIS 94     0.900    28.652  27.005  29.420  -99.200  -91.000
       TYR 95     0.840    27.747  26.280  34.136  -99.200  -91.000
       TYR 98     0.840    27.900  36.988  38.968  -99.200  -91.000
       HIS 103     0.900    31.798  38.966  54.342  -99.200  -91.000
       TRP 108     1.040    31.200  33.563  53.293  -99.200  -91.000
      TRP6 108     1.020    30.334  35.157  54.825  -99.200  -91.000
       PHE 109     1.000    32.127  30.787  45.120  -99.200  -91.000
       HIS 125     0.900    31.337  23.633  48.956  -99.200  -91.000
       TYR 126     0.840    36.416  28.699  43.908  -99.200  -91.000
       PHE 133     1.000    23.694  32.367  39.865  -99.200  -91.000