=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 19 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    10.783  53.490 -10.374  -99.200  -91.000
       TYR 19     0.840    10.559  37.411  15.069  -99.200  -91.000
       PHE 30     1.000    15.014  43.496  11.872  -99.200  -91.000
       TYR 32     0.840    15.462  39.444  18.379  -99.200  -91.000
       HIS 50     0.900     4.246  53.455   8.197  -99.200  -91.000
       TYR 52     0.840     3.690  51.890  -1.966  -99.200  -91.000
       PHE 66     1.000    10.195  50.371   1.442  -99.200  -91.000
       HIS 73     0.900    15.642  59.882  -0.832  -99.200  -91.000
       PHE 74     1.000    14.736  53.895   2.598  -99.200  -91.000
       PHE 77     1.000    11.753  49.715   6.157  -99.200  -91.000
       TRP 85     1.040    13.112  30.323  22.452  -99.200  -91.000
      TRP6 85     1.020    14.581  30.198  24.299  -99.200  -91.000
       PHE 97     1.000    19.904  41.339  13.717  -99.200  -91.000
       HIS 141     0.900    29.925  39.801  28.836  -99.200  -91.000
       TYR 169     0.840    38.717  33.216  16.995  -99.200  -91.000
       HIS 178     0.900    40.521  44.129  14.717  -99.200  -91.000
       PHE 180     1.000    45.207  41.374  20.326  -99.200  -91.000
       HIS 200     0.900    43.167  36.239  26.495  -99.200  -91.000
       TYR 217     0.840    50.574  33.597  20.493  -99.200  -91.000