=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 28 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    30.468  75.457   8.155  -99.200  -91.000
       HIS 17     0.900    48.193  49.763  11.650  -99.200  -91.000
       TYR 22     0.840    50.391  54.079   8.063  -99.200  -91.000
       PHE 31     1.000    32.319  64.393   9.660  -99.200  -91.000
       PHE 35     1.000    29.044  67.780   8.299  -99.200  -91.000
       PHE 77     1.000    29.163  54.411  -3.214  -99.200  -91.000
       TRP 79     1.040    39.647  58.015   0.312  -99.200  -91.000
      TRP6 79     1.020    40.185  57.536   2.564  -99.200  -91.000
       PHE 80     1.000    43.924  56.054  -0.497  -99.200  -91.000
       TRP 82     1.040    46.194  50.889  -1.320  -99.200  -91.000
      TRP6 82     1.020    47.585  49.103  -0.631  -99.200  -91.000
       HIS 83     0.900    50.455  50.977  -7.691  -99.200  -91.000
       HIS 84     0.900    50.878  45.576  -1.491  -99.200  -91.000
       HIS 90     0.900    71.924  52.321   6.325  -99.200  -91.000
       HIS 92     0.900    68.458  43.737   1.510  -99.200  -91.000
       TRP 108     1.040    66.778  39.420  -1.040  -99.200  -91.000
      TRP6 108     1.020    68.814  39.649   0.064  -99.200  -91.000
       TYR 113     0.840    50.470  44.785   4.938  -99.200  -91.000
       PHE 127     1.000    56.873  37.588  -5.082  -99.200  -91.000
       TYR 149     0.840    59.658  41.306  14.868  -99.200  -91.000
       HIS 179     0.900    59.260  48.257 -11.234  -99.200  -91.000
       PHE 181     1.000    54.769  43.687  -5.682  -99.200  -91.000
       TRP 187     1.040    37.047  48.732  -2.727  -99.200  -91.000
      TRP6 187     1.020    36.150  49.497  -4.779  -99.200  -91.000
       TYR 199     0.840    26.019  62.559  10.723  -99.200  -91.000
       TRP 201     1.040    23.511  60.419   2.239  -99.200  -91.000
      TRP6 201     1.020    23.525  58.228   1.373  -99.200  -91.000
       PHE 203     1.000    34.177  60.320   6.441  -99.200  -91.000