=============================================================================
          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.
       TRP  4     1.040    -6.569  -4.471  21.131  -99.200  -91.000
      TRP6  4     1.020    -6.522  -3.393  23.215  -99.200  -91.000
       PHE  7     1.000    -5.752 -15.024  14.395  -99.200  -91.000
       TYR 28     0.840    15.722 -16.402   2.926  -99.200  -91.000
       PHE 36     1.000    13.060 -13.395   5.701  -99.200  -91.000
       HIS 45     0.900     1.869 -14.650  -0.689  -99.200  -91.000
       PHE 54     1.000    -6.486 -10.118  13.140  -99.200  -91.000
       TRP 63     1.040   -13.386  -1.377  13.780  -99.200  -91.000
      TRP6 63     1.020   -12.397  -2.438  15.647  -99.200  -91.000
       HIS 65     0.900    -7.554   3.856  18.416  -99.200  -91.000
       HIS 85     0.900    23.743   0.232  22.733  -99.200  -91.000
       TRP 86     1.040    20.827   0.702  19.829  -99.200  -91.000
      TRP6 86     1.020    22.157   0.638  17.883  -99.200  -91.000
       PHE 99     1.000    15.385 -14.756   9.666  -99.200  -91.000
       TYR 104     0.840     3.242 -13.446  12.876  -99.200  -91.000
       PHE 112     1.000     9.819   2.736   6.585  -99.200  -91.000
       TRP 114     1.040    13.107   5.706   9.952  -99.200  -91.000
      TRP6 114     1.020    12.349   7.526   8.662  -99.200  -91.000
       HIS 134     0.900    15.027   9.627  34.884  -99.200  -91.000
       TRP 147     1.040     0.238  11.807  24.351  -99.200  -91.000
      TRP6 147     1.020    -0.020  13.522  22.753  -99.200  -91.000
       HIS 148     0.900     6.236   7.795  20.180  -99.200  -91.000
       PHE 153     1.000    11.977  12.956  11.062  -99.200  -91.000
       TYR 156     0.840     9.956  11.002   2.426  -99.200  -91.000
       TYR 160     0.840    -0.858  -0.542   8.905  -99.200  -91.000
       PHE 193     1.000    -8.758  17.810   8.955  -99.200  -91.000
       PHE 197     1.000    -1.177  22.979  14.271  -99.200  -91.000
       HIS 205     0.900    15.056   9.415  13.055  -99.200  -91.000
       PHE 216     1.000    23.109  10.289  11.926  -99.200  -91.000
       HIS 235     0.900   -14.599  11.664   5.938  -99.200  -91.000
       HIS 240     0.900    -5.337   8.431   7.732  -99.200  -91.000
       PHE 247     1.000    10.964  15.910  20.810  -99.200  -91.000
       TYR 273     0.840    -6.442   2.641  23.870  -99.200  -91.000
       PHE 284     1.000     2.271  -6.448  12.803  -99.200  -91.000
       HIS 292     0.900     3.975   4.432  19.046  -99.200  -91.000
       PHE 297     1.000    10.518  -0.231  31.770  -99.200  -91.000
       TYR 301     0.840    19.078  -0.933  33.824  -99.200  -91.000
       TRP 307     1.040    14.976  -7.701  23.425  -99.200  -91.000
      TRP6 307     1.020    16.172  -9.739  23.473  -99.200  -91.000
       HIS 318     0.900     8.072   1.899  -5.780  -99.200  -91.000
       TRP 324     1.040    13.296   4.520  -1.842  -99.200  -91.000
      TRP6 324     1.020    12.927   3.337  -3.849  -99.200  -91.000