=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 42 rings
        ring        int.           center             anis.    iso.
       PHE 11     1.000    35.282   6.077  22.755  -99.200  -91.000
       TYR 16     0.840    37.784  14.804  23.512  -99.200  -91.000
       TYR 19     0.840    37.555   9.818  19.061  -99.200  -91.000
       HIS 29     0.900    43.219   4.586  12.470  -99.200  -91.000
       TRP 40     1.040    35.993   2.007   6.765  -99.200  -91.000
      TRP6 40     1.020    38.230   1.223   6.664  -99.200  -91.000
       TYR 45     0.840    41.789  21.561  10.778  -99.200  -91.000
       PHE 57     1.000    35.465   9.982   1.647  -99.200  -91.000
       TRP 61     1.040    21.183   7.177   4.477  -99.200  -91.000
      TRP6 61     1.020    21.997   5.514   5.972  -99.200  -91.000
       HIS 77     0.900    13.175  10.563  -0.122  -99.200  -91.000
       HIS 87     0.900    23.339  20.201  -0.103  -99.200  -91.000
       PHE 98     1.000    17.014  28.377   8.681  -99.200  -91.000
       TRP 137     1.040    13.949  21.152  25.706  -99.200  -91.000
      TRP6 137     1.020    14.584  19.808  23.823  -99.200  -91.000
       PHE 158     1.000     8.873  18.112  17.739  -99.200  -91.000
       TRP 161     1.040     8.659  11.833  19.748  -99.200  -91.000
      TRP6 161     1.020     7.162  13.381  18.752  -99.200  -91.000
       PHE 165     1.000    14.464  11.104  17.249  -99.200  -91.000
       PHE 167     1.000    18.581  10.497  27.455  -99.200  -91.000
       TYR 184     0.840     3.338  17.212  15.781  -99.200  -91.000
       HIS 225     0.900    13.735  14.272  10.910  -99.200  -91.000
       HIS 232     0.900    14.202  19.806  18.693  -99.200  -91.000
       TYR 244     0.840    31.887  20.342  32.639  -99.200  -91.000
       HIS 249     0.900    38.531  24.551  31.487  -99.200  -91.000
       TYR 273     0.840    38.008  22.130  26.265  -99.200  -91.000
       TYR 282     0.840    25.985   6.514  10.002  -99.200  -91.000
       PHE 284     1.000    26.187   6.403   3.611  -99.200  -91.000
       HIS 310     0.900    36.639  21.021  16.336  -99.200  -91.000
       PHE 316     1.000    41.831  24.119  15.924  -99.200  -91.000
       HIS 320     0.900    44.586  17.336  24.917  -99.200  -91.000
       PHE 322     1.000    36.685  27.203  27.430  -99.200  -91.000
       HIS 331     0.900    34.567  26.367  14.879  -99.200  -91.000
       PHE 334     1.000    28.323  26.405  13.858  -99.200  -91.000
       HIS 336     0.900    35.787  22.743   4.310  -99.200  -91.000
       HIS 339     0.900    26.094  17.653   2.381  -99.200  -91.000
       PHE 340     1.000    29.701  26.556   7.787  -99.200  -91.000
       TRP 376     1.040    30.146  14.192  30.268  -99.200  -91.000
      TRP6 376     1.020    30.347  16.090  28.870  -99.200  -91.000
       TYR 377     0.840    23.078  13.811  26.006  -99.200  -91.000
       TRP 392     1.040    21.141  32.218  41.106  -99.200  -91.000
      TRP6 392     1.020    20.187  30.259  40.172  -99.200  -91.000