=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 16 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    29.132  -2.751 -26.272  -99.200  -91.000
       HIS  2     0.900    28.130  -2.103 -21.341  -99.200  -91.000
       HIS  3     0.900    35.243  -2.598 -22.439  -99.200  -91.000
       PHE  9     1.000    40.386  10.696  -9.893  -99.200  -91.000
       TYR 12     0.840    40.928  16.396  -8.459  -99.200  -91.000
       HIS 45     0.900    26.946   1.864  15.015  -99.200  -91.000
       HIS 48     0.900    26.633   4.193   4.296  -99.200  -91.000
       TYR 71     0.840    31.519  -5.084   6.651  -99.200  -91.000
       HIS 89     0.900    26.468  -0.485  -4.354  -99.200  -91.000
       HIS 97     0.900    31.251   2.118   2.700  -99.200  -91.000
       TYR 116     0.840    43.028  11.572   6.001  -99.200  -91.000
       PHE 119     1.000    41.897   8.140   2.397  -99.200  -91.000
       PHE 135     1.000    32.206  11.510  11.856  -99.200  -91.000
       TYR 155     0.840    43.752  12.445  -8.394  -99.200  -91.000
       TYR 164     0.840    39.770  24.360  -3.606  -99.200  -91.000
       TYR 171     0.840    49.224  21.882   2.342  -99.200  -91.000