=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 22 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900   -27.814   5.847 -10.013  -99.200  -91.000
       PHE  2     1.000   -28.031   5.823 -15.925  -99.200  -91.000
       TYR  9     0.840   -33.198  -3.388 -22.872  -99.200  -91.000
       TYR 16     0.840   -18.326 -14.795 -26.760  -99.200  -91.000
       HIS 22     0.900   -17.270 -21.121 -21.178  -99.200  -91.000
       PHE 23     1.000   -22.483 -18.344 -27.337  -99.200  -91.000
       HIS 42     0.900   -31.946 -25.654 -21.824  -99.200  -91.000
       PHE 45     1.000   -30.253 -16.123 -20.969  -99.200  -91.000
       TYR 56     0.840   -37.347  -7.351 -13.640  -99.200  -91.000
       TYR 65     0.840   -38.423 -13.115 -15.257  -99.200  -91.000
       TYR 75     0.840   -31.887 -17.434  -7.196  -99.200  -91.000
       PHE 86     1.000   -28.465  -9.559 -12.449  -99.200  -91.000
       HIS 94     0.900   -16.753  -3.699 -27.806  -99.200  -91.000
       TYR 95     0.840   -15.464  -6.285 -23.924  -99.200  -91.000
       TYR 98     0.840   -25.936  -7.473 -18.609  -99.200  -91.000
       HIS 103     0.900   -27.079  -8.548  -2.492  -99.200  -91.000
       TRP 108     1.040   -21.305  -9.133  -3.963  -99.200  -91.000
      TRP6 108     1.020   -22.865 -10.266  -2.592  -99.200  -91.000
       PHE 109     1.000   -18.936  -5.669 -11.222  -99.200  -91.000
       HIS 125     0.900   -11.760  -7.682  -8.975  -99.200  -91.000
       TYR 126     0.840   -16.914  -1.243 -11.604  -99.200  -91.000
       PHE 133     1.000   -21.515 -11.771 -19.303  -99.200  -91.000