=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 24 rings
        ring        int.           center             anis.    iso.
       TYR  3     0.840    37.545  35.587  -4.078  -99.200  -91.000
       PHE  4     1.000    41.226  33.290  -7.620  -99.200  -91.000
       PHE 17     1.000    34.712   6.965  16.704  -99.200  -91.000
       TYR 25     0.840    32.776  12.263  15.328  -99.200  -91.000
       HIS 31     0.900    45.974  23.650   5.318  -99.200  -91.000
       PHE 43     1.000    26.568  15.763  16.257  -99.200  -91.000
       PHE 46     1.000    32.285  18.192  12.890  -99.200  -91.000
       HIS 50     0.900    24.624  24.307  10.483  -99.200  -91.000
       PHE 57     1.000    29.307  33.646   6.642  -99.200  -91.000
       PHE 65     1.000    25.142  19.864  13.093  -99.200  -91.000
       HIS 67     0.900    17.394  15.634   9.591  -99.200  -91.000
       TRP 68     1.040    20.837  16.006  16.653  -99.200  -91.000
      TRP6 68     1.020    19.357  15.448  18.385  -99.200  -91.000
       TRP 69     1.040    15.685  13.555  14.463  -99.200  -91.000
      TRP6 69     1.020    16.635  15.558  13.710  -99.200  -91.000
       HIS 70     0.900    16.374  10.740  11.128  -99.200  -91.000
       PHE 73     1.000    24.696  11.547  14.130  -99.200  -91.000
       HIS 78     0.900    32.151   2.217   9.333  -99.200  -91.000
       PHE 81     1.000    33.720   7.400  11.925  -99.200  -91.000
       HIS 86     0.900    26.159  15.505   1.845  -99.200  -91.000
       TYR 87     0.840    27.989  20.899   8.679  -99.200  -91.000
       HIS 96     0.900    37.247  34.182  -0.753  -99.200  -91.000
       PHE 107     1.000    34.984  22.368  13.417  -99.200  -91.000
       PHE 108     1.000    36.720  22.329   8.870  -99.200  -91.000