=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 18 rings
        ring        int.           center             anis.    iso.
       PHE 13     1.000    21.513  15.327  24.654  -99.200  -91.000
       HIS 15     0.900    25.673  17.335  14.335  -99.200  -91.000
       PHE 22     1.000    15.513  11.643  17.798  -99.200  -91.000
       PHE 33     1.000    19.048  13.663  31.062  -99.200  -91.000
       PHE 35     1.000    13.428  18.113  30.595  -99.200  -91.000
       HIS 40     0.900    12.142  14.428  37.520  -99.200  -91.000
       TYR 47     0.840    15.033  14.765  27.860  -99.200  -91.000
       PHE 53     1.000    10.732  19.516  22.148  -99.200  -91.000
       TYR 55     0.840    17.329  21.274  21.468  -99.200  -91.000
       HIS 58     0.900    20.830  32.235  19.033  -99.200  -91.000
       PHE 60     1.000    27.299  32.030  29.204  -99.200  -91.000
       TYR 70     0.840    19.216  25.053  24.575  -99.200  -91.000
       TYR 84     0.840    22.329  20.653  28.184  -99.200  -91.000
       HIS 85     0.900    26.612  18.339  37.666  -99.200  -91.000
       HIS 95     0.900    18.058  20.843  36.913  -99.200  -91.000
       TYR 97     0.840    16.815  27.318  34.681  -99.200  -91.000
       PHE 98     1.000    10.697  25.894  27.803  -99.200  -91.000
       PHE 104     1.000     0.792  24.826  28.369  -99.200  -91.000