=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 13 rings
        ring        int.           center             anis.    iso.
       HIS  7     0.900    22.681  22.959  -1.446  -99.200  -91.000
       PHE 15     1.000     9.380  27.392   9.323  -99.200  -91.000
       HIS 16     0.900    12.882  25.520  12.544  -99.200  -91.000
       TYR 18     0.840    12.050  35.325   7.932  -99.200  -91.000
       HIS 24     0.900     1.857  27.943  19.487  -99.200  -91.000
       PHE 25     1.000     9.644  25.200  18.975  -99.200  -91.000
       PHE 58     1.000     3.415  37.610  -1.829  -99.200  -91.000
       PHE 71     1.000    11.102  22.815   6.807  -99.200  -91.000
       PHE 74     1.000    10.036  27.978   4.334  -99.200  -91.000
       HIS 85     0.900     9.160  28.340 -16.667  -99.200  -91.000
       TYR 86     0.840    11.350  23.945 -11.087  -99.200  -91.000
       HIS 87     0.900    15.500  30.134 -14.685  -99.200  -91.000
       HIS 89     0.900    19.424  32.365 -12.402  -99.200  -91.000