=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 15 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    17.311  22.009  15.236  -99.200  -91.000
       HIS  2     0.900    18.162  15.477  14.407  -99.200  -91.000
       HIS  3     0.900    19.945  16.925  18.336  -99.200  -91.000
       TYR  7     0.840    17.982  28.111  24.530  -99.200  -91.000
       PHE  8     1.000     8.803  27.556  22.546  -99.200  -91.000
       PHE 27     1.000     5.677  23.086  49.916  -99.200  -91.000
       PHE 31     1.000     6.629  27.351  46.088  -99.200  -91.000
       TYR 48     0.840     7.784  30.492  41.653  -99.200  -91.000
       TYR 60     0.840     1.314  21.846  48.808  -99.200  -91.000
       TYR 66     0.840    10.306  30.632  35.138  -99.200  -91.000
       HIS 73     0.900    18.357  35.989  37.710  -99.200  -91.000
       HIS 74     0.900    12.717  30.608  39.493  -99.200  -91.000
       TYR 79     0.840    15.550  35.199  45.069  -99.200  -91.000
       PHE 80     1.000    15.014  27.498  42.749  -99.200  -91.000
       TYR 97     0.840    11.904  22.538  32.875  -99.200  -91.000