=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 43 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900    12.807  -4.411  12.645  -99.200  -91.000
       TYR 18     0.840     7.061   7.489  11.519  -99.200  -91.000
       TYR 27     0.840    18.459   4.791  16.130  -99.200  -91.000
       TYR 30     0.840     9.881  15.936  11.083  -99.200  -91.000
       HIS 32     0.900     6.222  19.853  16.075  -99.200  -91.000
       TYR 37     0.840     0.815  25.837  13.547  -99.200  -91.000
       PHE 51     1.000    15.222  11.856   6.791  -99.200  -91.000
       TYR 56     0.840    20.393   7.629   7.718  -99.200  -91.000
       TYR 63     0.840     9.109  21.593  18.656  -99.200  -91.000
       HIS 73     0.900    11.322  25.516  30.962  -99.200  -91.000
       PHE 82     1.000    20.059  13.741  20.590  -99.200  -91.000
       PHE 95     1.000    22.766  12.308  16.901  -99.200  -91.000
       TYR 105     0.840    15.942  29.290  16.716  -99.200  -91.000
       PHE 122     1.000    22.120  12.521   8.156  -99.200  -91.000
       PHE 126     1.000    12.882  19.213   3.949  -99.200  -91.000
       TYR 127     0.840     9.997  24.612   4.715  -99.200  -91.000
       TYR 129     0.840    13.142  30.201  12.240  -99.200  -91.000
       PHE 134     1.000    12.337  34.616  10.989  -99.200  -91.000
       TRP 161     1.040     5.532  17.185  27.123  -99.200  -91.000
      TRP6 161     1.020     7.820  17.692  26.802  -99.200  -91.000
       PHE 165     1.000    -6.637  15.555  16.519  -99.200  -91.000
       TYR 169     0.840    -3.155  28.223  10.841  -99.200  -91.000
       TYR 172     0.840     3.251  31.016  13.855  -99.200  -91.000
       HIS 173     0.900    -0.536  32.096  10.729  -99.200  -91.000
       TYR 174     0.840    -4.873  37.528  18.975  -99.200  -91.000
       HIS 183     0.900     4.493  39.363  26.595  -99.200  -91.000
       PHE 184     1.000     1.178  34.986  22.464  -99.200  -91.000
       TYR 185     0.840     8.556  32.738  19.150  -99.200  -91.000
       TRP 193     1.040    15.024  39.665  20.640  -99.200  -91.000
      TRP6 193     1.020    13.435  39.697  18.893  -99.200  -91.000
       TYR 196     0.840    16.444  34.053  22.969  -99.200  -91.000
       PHE 206     1.000    25.864  24.035  14.208  -99.200  -91.000
       PHE 210     1.000    19.083  18.558   0.263  -99.200  -91.000
       PHE 222     1.000    15.671  32.517  -1.572  -99.200  -91.000
       TYR 224     0.840    17.228  34.005   8.861  -99.200  -91.000
       PHE 237     1.000    19.474  27.550  -0.988  -99.200  -91.000
       TYR 241     0.840    14.511  29.171  -7.927  -99.200  -91.000
       TYR 242     0.840     8.545  31.942  -9.692  -99.200  -91.000
       HIS 245     0.900     7.832  28.702   6.062  -99.200  -91.000
       PHE 247     1.000     9.910  23.286   0.046  -99.200  -91.000
       PHE 260     1.000    10.505  15.052  -0.188  -99.200  -91.000
       TRP 266     1.040    23.583  16.112   1.074  -99.200  -91.000
      TRP6 266     1.020    22.888  15.746   3.314  -99.200  -91.000