=============================================================================
          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    -3.059  27.753  67.214  -99.200  -91.000
       PHE  2     1.000    -0.661  27.849  70.675  -99.200  -91.000
       TYR  9     0.840     9.024  32.778  77.363  -99.200  -91.000
       TYR 16     0.840    20.668  18.039  80.481  -99.200  -91.000
       HIS 22     0.900    26.857  17.494  74.628  -99.200  -91.000
       PHE 23     1.000    24.198  22.112  81.147  -99.200  -91.000
       HIS 42     0.900    30.772  32.748  75.701  -99.200  -91.000
       TYR 56     0.840    12.613  37.403  68.384  -99.200  -91.000
       TYR 65     0.840    18.326  38.623  69.629  -99.200  -91.000
       TYR 75     0.840    22.503  32.260  61.374  -99.200  -91.000
       PHE 86     1.000    14.751  28.653  66.561  -99.200  -91.000
       HIS 94     0.900     9.982  15.730  81.447  -99.200  -91.000
       TYR 95     0.840    12.172  15.298  77.847  -99.200  -91.000
       TYR 98     0.840    12.924  25.715  72.556  -99.200  -91.000
       HIS 103     0.900    13.535  27.431  56.751  -99.200  -91.000
       TRP 108     1.040    14.116  21.676  57.988  -99.200  -91.000
      TRP6 108     1.020    15.157  23.324  56.648  -99.200  -91.000
       PHE 109     1.000    11.091  18.995  65.515  -99.200  -91.000
       HIS 125     0.900    13.917  13.172  60.301  -99.200  -91.000
       TYR 126     0.840     6.963  16.414  65.966  -99.200  -91.000
       PHE 133     1.000    17.422  21.414  72.993  -99.200  -91.000