=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 44 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    45.060  73.418 -20.621  -99.200  -91.000
       HIS  2     0.900    49.347  69.067 -16.755  -99.200  -91.000
       HIS  3     0.900    50.008  74.956 -21.902  -99.200  -91.000
       HIS  4     0.900    52.591  68.408 -26.172  -99.200  -91.000
       HIS  5     0.900    58.961  74.023 -28.769  -99.200  -91.000
       TYR 13     0.840    58.939  64.492 -16.951  -99.200  -91.000
       PHE 14     1.000    52.578  66.205 -15.783  -99.200  -91.000
       TYR 25     0.840    49.758  80.593 -23.601  -99.200  -91.000
       TYR 26     0.840    53.325  83.012 -17.752  -99.200  -91.000
       TRP 37     1.040    68.820  73.909  -7.578  -99.200  -91.000
      TRP6 37     1.020    67.225  75.556  -8.199  -99.200  -91.000
       TYR 60     0.840    69.909  67.905 -18.557  -99.200  -91.000
       PHE 61     1.000    68.723  67.931 -10.324  -99.200  -91.000
       PHE 68     1.000    59.279  66.880 -11.876  -99.200  -91.000
       HIS 80     0.900    43.832  77.223   2.177  -99.200  -91.000
       TYR 87     0.840    48.878  80.918 -10.569  -99.200  -91.000
       PHE 90     1.000    53.662  77.153 -20.548  -99.200  -91.000
       TYR 97     0.840    60.831  77.110 -18.727  -99.200  -91.000
       PHE 109     1.000    63.074  79.375  11.637  -99.200  -91.000
       HIS 114     0.900    68.475  92.008  13.844  -99.200  -91.000
       PHE 118     1.000    58.080  84.699  13.873  -99.200  -91.000
       TYR 136     0.840    42.435  73.247  -0.201  -99.200  -91.000
       HIS 138     0.900    45.815  66.490   7.151  -99.200  -91.000
       HIS 144     0.900    54.238  69.590   3.670  -99.200  -91.000
       PHE 152     1.000    54.441  76.333   6.621  -99.200  -91.000
       PHE 154     1.000    55.686  85.667   6.778  -99.200  -91.000
       PHE 168     1.000    52.203  71.185  -0.865  -99.200  -91.000
       PHE 174     1.000    44.742  61.215   3.582  -99.200  -91.000
       TYR 188     0.840    64.834  68.525  15.029  -99.200  -91.000
       TYR 189     0.840    60.518  70.626  12.999  -99.200  -91.000
       TYR 199     0.840    53.199  57.982   8.095  -99.200  -91.000
       TRP 206     1.040    54.695  64.998  16.751  -99.200  -91.000
      TRP6 206     1.020    54.223  64.065  18.875  -99.200  -91.000
       TYR 213     0.840    58.554  73.443  23.216  -99.200  -91.000
       TYR 219     0.840    63.782  75.630  24.401  -99.200  -91.000
       PHE 222     1.000    58.853  65.257  22.104  -99.200  -91.000
       PHE 238     1.000    55.132  68.483  25.246  -99.200  -91.000
       PHE 240     1.000    54.406  73.525  27.282  -99.200  -91.000
       TRP 245     1.040    58.265  77.421  27.072  -99.200  -91.000
      TRP6 245     1.020    56.707  77.315  25.313  -99.200  -91.000
       HIS 276     0.900    43.259  76.060  22.290  -99.200  -91.000
       TRP 278     1.040    47.690  81.001  21.677  -99.200  -91.000
      TRP6 278     1.020    48.765  80.533  19.623  -99.200  -91.000
       PHE 279     1.000    44.879  79.691  16.354  -99.200  -91.000