=============================================================================
          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   -21.611 -21.426  27.382  -99.200  -91.000
       TYR  7     0.840    -9.923 -12.600  32.700  -99.200  -91.000
       PHE  8     1.000    -8.840 -12.194  24.323  -99.200  -91.000
       TYR  9     0.840    -2.929  -9.880  31.239  -99.200  -91.000
       PHE 22     1.000    -1.787  -5.032  31.676  -99.200  -91.000
       TYR 27     0.840   -14.081  -9.924  24.488  -99.200  -91.000
       PHE 33     1.000   -15.762 -11.304  32.275  -99.200  -91.000
       PHE 36     1.000    -5.897  -1.789  34.961  -99.200  -91.000
       TRP 51     1.040   -23.225 -11.248  32.213  -99.200  -91.000
      TRP6 51     1.020   -21.007 -11.939  32.623  -99.200  -91.000
       TYR 59     0.840   -15.004 -10.069  40.296  -99.200  -91.000
       TRP 60     1.040   -16.391  -5.153  41.056  -99.200  -91.000
      TRP6 60     1.020   -16.031  -5.560  38.758  -99.200  -91.000
       TYR 74     0.840     2.440  -9.482  30.554  -99.200  -91.000
       TYR 84     0.840    14.941 -12.581  27.638  -99.200  -91.000
       TYR 85     0.840    12.995 -11.377  20.674  -99.200  -91.000
       HIS 93     0.900    10.174  -3.170  20.048  -99.200  -91.000
       TYR 99     0.840    -5.215 -15.395  32.082  -99.200  -91.000
       TYR 113     0.840    -7.442 -22.419  24.719  -99.200  -91.000
       TYR 118     0.840     9.053  -8.171  21.688  -99.200  -91.000
       TYR 123     0.840     8.814 -14.446  24.437  -99.200  -91.000
       TRP 133     1.040     6.129 -23.518  30.274  -99.200  -91.000
      TRP6 133     1.020     4.350 -21.980  30.463  -99.200  -91.000
       TRP 147     1.040     7.783 -18.061  32.772  -99.200  -91.000
      TRP6 147     1.020     6.170 -17.604  31.117  -99.200  -91.000
       TYR 159     0.840    -6.971 -18.821  36.251  -99.200  -91.000
       TYR 171     0.840   -17.305 -14.521  35.905  -99.200  -91.000
       HIS 188     0.900   -31.490  -9.519   3.533  -99.200  -91.000
       HIS 191     0.900   -30.991  -9.854  -9.226  -99.200  -91.000
       HIS 192     0.900   -27.562  -5.246  -4.589  -99.200  -91.000
       HIS 197     0.900   -26.220 -10.340 -21.261  -99.200  -91.000
       TRP 204     1.040   -27.075  -8.739   2.968  -99.200  -91.000
      TRP6 204     1.020   -25.679  -7.272   4.174  -99.200  -91.000
       PHE 208     1.000   -24.098 -13.820  12.776  -99.200  -91.000
       TYR 209     0.840   -23.634 -13.972  21.937  -99.200  -91.000
       TRP 217     1.040   -23.603 -17.115  -2.196  -99.200  -91.000
      TRP6 217     1.020   -25.868 -17.150  -2.879  -99.200  -91.000
       PHE 241     1.000   -20.401 -10.851  17.233  -99.200  -91.000
       TRP 244     1.040   -21.630  -8.406   3.031  -99.200  -91.000
      TRP6 244     1.020   -20.179  -8.646   1.183  -99.200  -91.000
       TYR 257     0.840   -24.652 -19.222  -8.907  -99.200  -91.000
       HIS 260     0.900   -26.512 -24.767   0.773  -99.200  -91.000
       HIS 263     0.900   -25.811 -18.539  15.064  -99.200  -91.000
       TRP 274     1.040   -33.341 -13.026  -7.056  -99.200  -91.000
      TRP6 274     1.020   -33.859 -11.187  -5.672  -99.200  -91.000