=============================================================================
          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    -0.604  33.046  15.836  -99.200  -91.000
       HIS  2     0.900     3.151  25.675  15.692  -99.200  -91.000
       HIS  3     0.900    -1.017  23.142  18.211  -99.200  -91.000
       HIS  4     0.900    -5.324  30.314  12.195  -99.200  -91.000
       HIS  5     0.900    -1.375  31.580  11.296  -99.200  -91.000
       TYR  9     0.840     2.551  22.316   5.594  -99.200  -91.000
       PHE 10     1.000     0.367  19.105   8.992  -99.200  -91.000
       TYR 13     0.840     0.805  16.946   3.868  -99.200  -91.000
       HIS 18     0.900    -7.752  19.978  13.755  -99.200  -91.000
       TYR 25     0.840    -5.740   9.724  18.992  -99.200  -91.000
       PHE 26     1.000    -1.875  11.005  29.607  -99.200  -91.000
       PHE 39     1.000    20.346   9.545  29.090  -99.200  -91.000
       PHE 42     1.000     9.173  11.927  27.945  -99.200  -91.000
       TYR 49     0.840     4.167  22.191  29.088  -99.200  -91.000
       TYR 53     0.840     4.636  23.010  24.005  -99.200  -91.000
       TYR 56     0.840    -3.849  17.597  11.215  -99.200  -91.000
       TYR 73     0.840     5.275  18.351   8.572  -99.200  -91.000
       PHE 125     1.000    -0.652  12.534  10.605  -99.200  -91.000
       TYR 134     0.840    13.055  26.696  16.657  -99.200  -91.000
       PHE 158     1.000    23.703   4.482  11.256  -99.200  -91.000
       TYR 162     0.840    23.010   1.891   7.257  -99.200  -91.000