=============================================================================
          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     0.840  26.774  62.560  -99.200  -91.000
       PHE  2     1.000    -0.416  27.842  70.202  -99.200  -91.000
       TYR  9     0.840     9.141  32.425  76.784  -99.200  -91.000
       TYR 16     0.840    20.342  17.581  80.274  -99.200  -91.000
       HIS 22     0.900    26.881  16.978  74.403  -99.200  -91.000
       PHE 23     1.000    24.231  21.748  80.603  -99.200  -91.000
       HIS 42     0.900    31.175  31.838  75.215  -99.200  -91.000
       TYR 56     0.840    13.013  37.090  67.873  -99.200  -91.000
       TYR 65     0.840    18.696  38.149  69.155  -99.200  -91.000
       TYR 75     0.840    22.828  31.931  60.914  -99.200  -91.000
       PHE 86     1.000    15.023  28.565  66.077  -99.200  -91.000
       HIS 94     0.900     9.519  15.853  81.370  -99.200  -91.000
       TYR 95     0.840    12.056  14.923  77.292  -99.200  -91.000
       TYR 98     0.840    13.136  25.545  72.111  -99.200  -91.000
       HIS 103     0.900    13.932  27.027  56.418  -99.200  -91.000
       TRP 108     1.040    14.312  21.254  57.664  -99.200  -91.000
      TRP6 108     1.020    15.382  22.803  56.222  -99.200  -91.000
       PHE 109     1.000    11.305  18.805  65.174  -99.200  -91.000
       HIS 125     0.900    13.629  11.481  62.443  -99.200  -91.000
       TYR 126     0.840     7.044  16.328  65.510  -99.200  -91.000
       PHE 133     1.000    17.529  21.029  72.592  -99.200  -91.000