=============================================================================
          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    26.951  57.895 -22.435  -99.200  -91.000
       PHE  2     1.000    29.560  71.138 -23.564  -99.200  -91.000
       TYR  9     0.840    38.293  76.400 -15.316  -99.200  -91.000
       TYR 16     0.840    30.072  74.923   1.779  -99.200  -91.000
       HIS 22     0.900    32.304  67.807   6.088  -99.200  -91.000
       PHE 23     1.000    35.535  74.841   3.191  -99.200  -91.000
       HIS 42     0.900    47.524  69.295   3.487  -99.200  -91.000
       TYR 56     0.840    44.104  67.934 -16.456  -99.200  -91.000
       TYR 65     0.840    47.418  66.520 -11.722  -99.200  -91.000
       TYR 75     0.840    43.696  57.449  -7.314  -99.200  -91.000
       PHE 86     1.000    37.459  63.815 -11.309  -99.200  -91.000
       HIS 94     0.900    21.329  79.149  -8.937  -99.200  -91.000
       TYR 95     0.840    24.687  74.563  -4.897  -99.200  -91.000
       TYR 98     0.840    33.952  69.687 -10.252  -99.200  -91.000
       HIS 103     0.900    35.490  54.654 -14.185  -99.200  -91.000
       TRP 108     1.040    30.556  55.187 -11.156  -99.200  -91.000
      TRP6 108     1.020    32.436  53.726 -11.198  -99.200  -91.000
       PHE 109     1.000    26.756  62.795 -10.847  -99.200  -91.000
       HIS 125     0.900    21.585  58.551  -6.533  -99.200  -91.000
       TYR 126     0.840    22.841  64.163 -13.351  -99.200  -91.000
       PHE 133     1.000    31.863  68.813  -4.385  -99.200  -91.000