=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 45 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900    21.709 -21.123 -27.270  -99.200  -91.000
       TYR  7     0.840    10.029 -12.318 -32.550  -99.200  -91.000
       PHE  8     1.000     8.883 -12.038 -24.192  -99.200  -91.000
       TYR  9     0.840     3.054  -9.786 -31.106  -99.200  -91.000
       PHE 22     1.000     1.713  -4.893 -31.584  -99.200  -91.000
       TYR 27     0.840    14.069  -9.747 -24.251  -99.200  -91.000
       PHE 33     1.000    15.813 -11.005 -32.071  -99.200  -91.000
       PHE 36     1.000     5.954  -1.485 -34.708  -99.200  -91.000
       TRP 51     1.040    23.287 -10.971 -32.014  -99.200  -91.000
      TRP6 51     1.020    21.062 -11.635 -32.397  -99.200  -91.000
       TYR 59     0.840    15.070  -9.803 -40.033  -99.200  -91.000
       TRP 60     1.040    16.524  -4.905 -40.788  -99.200  -91.000
      TRP6 60     1.020    16.123  -5.221 -38.477  -99.200  -91.000
       TYR 74     0.840    -2.298  -8.627 -31.053  -99.200  -91.000
       TYR 84     0.840   -14.800 -12.459 -27.565  -99.200  -91.000
       TYR 85     0.840   -12.925 -11.225 -20.616  -99.200  -91.000
       HIS 93     0.900   -10.217  -3.106 -20.021  -99.200  -91.000
       TYR 99     0.840     5.346 -15.209 -31.967  -99.200  -91.000
       TYR 113     0.840     7.784 -22.335 -24.730  -99.200  -91.000
       TYR 118     0.840    -9.015  -8.064 -21.733  -99.200  -91.000
       TYR 123     0.840    -8.727 -14.357 -24.355  -99.200  -91.000
       TRP 133     1.040    -6.002 -23.466 -30.072  -99.200  -91.000
      TRP6 133     1.020    -4.273 -21.872 -30.284  -99.200  -91.000
       TRP 147     1.040    -7.766 -17.927 -32.692  -99.200  -91.000
      TRP6 147     1.020    -6.149 -17.427 -31.054  -99.200  -91.000
       TYR 159     0.840     7.121 -18.590 -36.276  -99.200  -91.000
       TYR 171     0.840    17.417 -14.226 -35.724  -99.200  -91.000
       HIS 188     0.900    31.363  -9.679  -3.160  -99.200  -91.000
       HIS 191     0.900    30.356 -10.067   9.611  -99.200  -91.000
       HIS 192     0.900    26.705  -5.831   4.738  -99.200  -91.000
       HIS 197     0.900    22.500 -10.149  21.765  -99.200  -91.000
       TRP 204     1.040    26.872  -8.879  -2.543  -99.200  -91.000
      TRP6 204     1.020    25.527  -7.298  -3.675  -99.200  -91.000
       PHE 208     1.000    24.076 -13.733 -12.554  -99.200  -91.000
       TYR 209     0.840    23.627 -13.757 -21.745  -99.200  -91.000
       TRP 217     1.040    23.311 -17.404   2.282  -99.200  -91.000
      TRP6 217     1.020    25.552 -17.403   3.022  -99.200  -91.000
       PHE 241     1.000    20.340 -10.642 -16.970  -99.200  -91.000
       TRP 244     1.040    21.415  -8.557  -2.730  -99.200  -91.000
      TRP6 244     1.020    19.931  -8.867  -0.915  -99.200  -91.000
       TYR 257     0.840    24.264 -19.568   8.809  -99.200  -91.000
       HIS 260     0.900    26.459 -24.943  -0.789  -99.200  -91.000
       HIS 263     0.900    25.717 -18.402 -14.913  -99.200  -91.000
       TRP 274     1.040    32.865 -13.149   7.387  -99.200  -91.000
      TRP6 274     1.020    33.316 -11.259   6.048  -99.200  -91.000