=============================================================================
          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    -2.931   8.725  42.863  -99.200  -91.000
       PHE  2     1.000    -2.779   7.349  37.137  -99.200  -91.000
       TYR  9     0.840     8.551   3.543  33.277  -99.200  -91.000
       TYR 16     0.840    19.292  19.679  33.040  -99.200  -91.000
       HIS 22     0.900    23.782  20.535  40.428  -99.200  -91.000
       PHE 23     1.000    23.072  15.567  33.419  -99.200  -91.000
       HIS 42     0.900    28.979   5.749  40.659  -99.200  -91.000
       TYR 56     0.840    10.212  -0.958  42.577  -99.200  -91.000
       TYR 65     0.840    16.123  -1.545  42.980  -99.200  -91.000
       TYR 75     0.840    17.726   4.848  52.249  -99.200  -91.000
       PHE 86     1.000    11.174   7.661  45.298  -99.200  -91.000
       HIS 94     0.900     9.067  21.241  29.687  -99.200  -91.000
       TYR 95     0.840     9.952  21.664  33.873  -99.200  -91.000
       TYR 98     0.840    10.600  10.786  38.968  -99.200  -91.000
       HIS 103     0.900     7.741   8.821  54.198  -99.200  -91.000
       TRP 108     1.040     7.704  14.580  53.316  -99.200  -91.000
      TRP6 108     1.020     8.602  13.144  54.965  -99.200  -91.000
       PHE 109     1.000     6.418  17.107  45.202  -99.200  -91.000
       HIS 125     0.900     7.254  22.935  50.887  -99.200  -91.000
       TYR 126     0.840     2.361  19.362  43.733  -99.200  -91.000
       PHE 133     1.000    14.674  15.610  39.604  -99.200  -91.000