=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 44 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    28.852  -3.738  -7.682  -99.200  -91.000
       HIS  5     0.900    34.938  -4.233  -4.023  -99.200  -91.000
       PHE  8     1.000    33.472  -9.814   2.830  -99.200  -91.000
       TRP 20     1.040    37.141   8.330  15.275  -99.200  -91.000
      TRP6 20     1.020    35.209   9.599  15.836  -99.200  -91.000
       HIS 31     0.900    33.456   7.612  35.666  -99.200  -91.000
       TYR 37     0.840    39.743  27.614  39.549  -99.200  -91.000
       HIS 39     0.900    43.878  17.495  36.853  -99.200  -91.000
       PHE 47     1.000    34.436  15.890  27.313  -99.200  -91.000
       PHE 50     1.000    36.947  13.581  23.054  -99.200  -91.000
       HIS 67     0.900    23.789   8.630   0.566  -99.200  -91.000
       HIS 77     0.900    23.962  -6.953  -0.100  -99.200  -91.000
       TRP 86     1.040    26.685  -5.416   9.871  -99.200  -91.000
      TRP6 86     1.020    27.640  -5.551   7.719  -99.200  -91.000
       TRP 94     1.040    26.606  10.103  16.229  -99.200  -91.000
      TRP6 94     1.020    28.741  10.979  16.799  -99.200  -91.000
       TYR 112     0.840    35.592  26.485  36.440  -99.200  -91.000
       HIS 115     0.900    38.449  20.675  42.251  -99.200  -91.000
       PHE 117     1.000    32.408  27.833  48.578  -99.200  -91.000
       TYR 118     0.840    34.989  23.502  49.211  -99.200  -91.000
       HIS 119     0.900    41.275  29.742  43.039  -99.200  -91.000
       PHE 125     1.000    40.453  32.108  56.961  -99.200  -91.000
       HIS 132     0.900    42.173  41.661  61.937  -99.200  -91.000
       HIS 153     0.900    41.730  52.556  59.730  -99.200  -91.000
       PHE 156     1.000    44.115  48.016  56.762  -99.200  -91.000
       HIS 158     0.900    40.124  53.012  47.509  -99.200  -91.000
       TYR 181     0.840    26.685  20.159  44.255  -99.200  -91.000
       TRP 200     1.040    33.708  41.296  54.989  -99.200  -91.000
      TRP6 200     1.020    35.484  42.596  54.111  -99.200  -91.000
       PHE 221     1.000    47.247  63.690  71.276  -99.200  -91.000
       PHE 223     1.000    39.282  70.638  75.444  -99.200  -91.000
       PHE 224     1.000    44.052  67.211  76.330  -99.200  -91.000
       TRP 233     1.040    45.047  86.413  73.282  -99.200  -91.000
      TRP6 233     1.020    42.846  86.303  74.164  -99.200  -91.000
       HIS 260     0.900    41.957  98.293  80.363  -99.200  -91.000
       PHE 274     1.000    38.252  82.515  75.590  -99.200  -91.000
       HIS 289     0.900    38.657  61.224  74.785  -99.200  -91.000
       TYR 290     0.840    41.383  57.952  75.904  -99.200  -91.000
       TRP 313     1.040    39.735  95.438  79.522  -99.200  -91.000
      TRP6 313     1.020    37.650  96.610  79.720  -99.200  -91.000
       TRP 317     1.040    36.114 100.807  81.378  -99.200  -91.000
      TRP6 317     1.020    37.224 102.329  79.959  -99.200  -91.000
       TRP 319     1.040    41.986 103.093  90.750  -99.200  -91.000
      TRP6 319     1.020    41.011 102.538  92.825  -99.200  -91.000