=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 22 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    -0.469  27.570  64.916  -99.200  -91.000
       PHE  2     1.000    -0.277  27.717  70.560  -99.200  -91.000
       TYR  9     0.840     9.696  32.167  77.412  -99.200  -91.000
       TYR 16     0.840    20.909  17.098  80.463  -99.200  -91.000
       HIS 22     0.900    26.897  16.185  74.838  -99.200  -91.000
       PHE 23     1.000    24.094  21.110  81.194  -99.200  -91.000
       HIS 42     0.900    31.584  31.104  75.848  -99.200  -91.000
       TYR 56     0.840    13.265  36.684  68.613  -99.200  -91.000
       TYR 65     0.840    19.153  37.712  69.906  -99.200  -91.000
       TYR 75     0.840    23.150  31.346  61.448  -99.200  -91.000
       PHE 86     1.000    15.297  28.343  66.601  -99.200  -91.000
       HIS 94     0.900     9.782  15.844  82.029  -99.200  -91.000
       TYR 95     0.840    12.013  14.551  77.841  -99.200  -91.000
       TYR 98     0.840    13.284  25.256  72.737  -99.200  -91.000
       HIS 103     0.900    13.973  26.795  56.848  -99.200  -91.000
       TRP 108     1.040    14.355  21.099  58.200  -99.200  -91.000
      TRP6 108     1.020    15.495  22.669  56.850  -99.200  -91.000
       PHE 109     1.000    11.008  18.610  65.521  -99.200  -91.000
       HIS 125     0.900    12.740  11.268  62.821  -99.200  -91.000
       TYR 126     0.840     6.550  16.613  65.781  -99.200  -91.000
       TRP 133     1.040    16.579  20.750  72.934  -99.200  -91.000
      TRP6 133     1.020    18.892  21.058  73.320  -99.200  -91.000