=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 38 rings
        ring        int.           center             anis.    iso.
       HIS 13     0.900    54.663  -5.595   6.500  -99.200  -91.000
       TYR 17     0.840    57.081   4.418   6.343  -99.200  -91.000
       TYR 22     0.840    52.640  10.075  14.580  -99.200  -91.000
       HIS 38     0.900    69.286  22.084  30.041  -99.200  -91.000
       TYR 43     0.840    70.275  28.662  31.762  -99.200  -91.000
       TYR 45     0.840    62.703  37.093  29.354  -99.200  -91.000
       TRP 60     1.040    62.749  30.305  22.300  -99.200  -91.000
      TRP6 60     1.020    61.167  30.711  24.003  -99.200  -91.000
       TYR 70     0.840    58.690  22.217  18.290  -99.200  -91.000
       PHE 75     1.000    60.162  31.223  31.505  -99.200  -91.000
       TYR 88     0.840    56.458  27.600  11.381  -99.200  -91.000
       PHE 90     1.000    50.684  23.674   8.334  -99.200  -91.000
       TYR 109     0.840    48.596  24.534  28.685  -99.200  -91.000
       PHE 110     1.000    50.780  26.952  35.631  -99.200  -91.000
       TYR 112     0.840    51.593  16.185  33.272  -99.200  -91.000
       TRP 124     1.040    46.941  18.187  29.385  -99.200  -91.000
      TRP6 124     1.020    46.572  16.861  31.298  -99.200  -91.000
       TYR 137     0.840    36.004  27.457  16.511  -99.200  -91.000
       TYR 157     0.840    56.078  25.457  35.334  -99.200  -91.000
       TYR 166     0.840    54.056  20.283   9.884  -99.200  -91.000
       TYR 173     0.840    47.608   9.475   0.950  -99.200  -91.000
       PHE 179     1.000    46.803   0.660   3.550  -99.200  -91.000
       HIS 180     0.900    43.565   8.760   2.827  -99.200  -91.000
       HIS 186     0.900    42.779   9.085  27.159  -99.200  -91.000
       PHE 189     1.000    34.695  11.117  22.542  -99.200  -91.000
       TYR 190     0.840    37.664   8.467  14.696  -99.200  -91.000
       TYR 200     0.840    39.315  18.247  16.516  -99.200  -91.000
       PHE 210     1.000    30.766  11.501  13.728  -99.200  -91.000
       PHE 212     1.000    37.958   2.022  16.468  -99.200  -91.000
       TYR 215     0.840    34.305   0.700  13.220  -99.200  -91.000
       TRP 219     1.040    37.262   1.197  22.914  -99.200  -91.000
      TRP6 219     1.020    38.903   2.755  22.159  -99.200  -91.000
       TYR 229     0.840    43.434  -8.776   9.914  -99.200  -91.000
       TYR 231     0.840    36.193  -8.212   5.885  -99.200  -91.000
       HIS 235     0.900    33.708   0.579   7.541  -99.200  -91.000
       PHE 239     1.000    43.450  -3.594  16.433  -99.200  -91.000
       PHE 244     1.000    54.076  12.399  18.943  -99.200  -91.000
       HIS 251     0.900    44.393   3.339  21.313  -99.200  -91.000