=============================================================================
          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    22.726 -23.196 -14.723  -99.200  -91.000
       PHE  2     1.000    22.855 -28.756 -15.583  -99.200  -91.000
       TYR  9     0.840    23.425 -35.579 -26.213  -99.200  -91.000
       TYR 16     0.840     4.795 -39.622 -29.731  -99.200  -91.000
       HIS 22     0.900     1.053 -33.950 -34.422  -99.200  -91.000
       PHE 23     1.000     7.508 -39.853 -34.354  -99.200  -91.000
       HIS 42     0.900    12.610 -34.062 -45.353  -99.200  -91.000
       TYR 56     0.840    25.553 -27.046 -31.380  -99.200  -91.000
       TYR 65     0.840    23.741 -27.450 -36.901  -99.200  -91.000
       TYR 75     0.840    15.582 -19.601 -37.776  -99.200  -91.000
       PHE 86     1.000    16.568 -24.940 -29.518  -99.200  -91.000
       HIS 94     0.900     8.523 -40.938 -19.201  -99.200  -91.000
       TYR 95     0.840     6.120 -36.995 -20.729  -99.200  -91.000
       TYR 98     0.840    15.071 -31.409 -26.402  -99.200  -91.000
       HIS 103     0.900    15.297 -15.544 -27.521  -99.200  -91.000
       TRP 108     1.040    10.045 -16.914 -25.260  -99.200  -91.000
      TRP6 108     1.020    10.851 -15.430 -26.910  -99.200  -91.000
       PHE 109     1.000     9.667 -24.380 -21.428  -99.200  -91.000
       HIS 125     0.900     2.284 -22.077 -19.827  -99.200  -91.000
       TYR 126     0.840     9.753 -25.107 -16.592  -99.200  -91.000
       PHE 133     1.000     9.096 -31.938 -28.297  -99.200  -91.000