=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 36 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900   -22.816 -13.213 -22.965  -99.200  -91.000
       TYR 13     0.840   -12.800 -31.132 -19.816  -99.200  -91.000
       HIS 22     0.900   -13.174 -51.708 -20.764  -99.200  -91.000
       PHE 24     1.000   -15.167 -45.017 -21.609  -99.200  -91.000
       TYR 33     0.840    -5.338 -19.050 -22.711  -99.200  -91.000
       PHE 35     1.000   -14.096 -13.716 -24.841  -99.200  -91.000
       PHE 53     1.000   -12.460 -46.815 -25.672  -99.200  -91.000
       PHE 62     1.000   -12.759 -36.306 -22.519  -99.200  -91.000
       PHE 66     1.000   -12.703 -23.148 -23.576  -99.200  -91.000
       TYR 69     0.840   -18.769 -18.259 -33.158  -99.200  -91.000
       TYR 76     0.840   -27.305 -21.458 -29.883  -99.200  -91.000
       PHE 77     1.000   -21.886 -23.171 -30.061  -99.200  -91.000
       TYR 85     0.840   -22.464 -26.007 -25.929  -99.200  -91.000
       TRP 87     1.040   -21.592 -31.199 -26.809  -99.200  -91.000
      TRP6 87     1.020   -20.846 -33.347 -27.523  -99.200  -91.000
       PHE 91     1.000   -18.757 -38.861 -31.802  -99.200  -91.000
       PHE 93     1.000   -15.761 -43.975 -35.784  -99.200  -91.000
       TYR 115     0.840   -17.064 -27.639 -12.257  -99.200  -91.000
       HIS 116     0.900   -17.315 -31.774 -21.657  -99.200  -91.000
       PHE 120     1.000   -17.506 -41.785 -27.282  -99.200  -91.000
       TYR 121     0.840   -23.790 -44.090 -23.341  -99.200  -91.000
       PHE 125     1.000   -15.731 -47.813 -32.333  -99.200  -91.000
       TRP 139     1.040   -10.308 -37.552 -34.468  -99.200  -91.000
      TRP6 139     1.020   -11.975 -38.820 -35.618  -99.200  -91.000
       TYR 162     0.840   -11.862 -37.860 -44.557  -99.200  -91.000
       PHE 175     1.000   -16.937 -36.275 -35.274  -99.200  -91.000
       TYR 179     0.840   -22.925 -27.945 -31.931  -99.200  -91.000
       TRP 191     1.040   -24.899 -20.501 -44.597  -99.200  -91.000
      TRP6 191     1.020   -22.658 -21.018 -45.195  -99.200  -91.000
       HIS 192     0.900   -21.548 -20.008 -37.462  -99.200  -91.000
       PHE 193     1.000   -18.084 -23.057 -44.392  -99.200  -91.000
       HIS 196     0.900   -14.174 -27.855 -35.001  -99.200  -91.000
       TRP 211     1.040    -6.128 -38.645 -23.992  -99.200  -91.000
      TRP6 211     1.020    -7.389 -40.312 -22.887  -99.200  -91.000
       HIS 212     0.900    -1.696 -31.281 -23.037  -99.200  -91.000
       HIS 216     0.900    -6.076 -22.041 -33.095  -99.200  -91.000