=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 26 rings
        ring        int.           center             anis.    iso.
       TYR  5     0.840   -14.949  36.027  -3.717  -99.200  -91.000
       TYR 12     0.840    -3.891  50.787 -15.667  -99.200  -91.000
       TYR 18     0.840    -3.813  60.329  -1.460  -99.200  -91.000
       TYR 35     0.840    15.265  34.455 -28.807  -99.200  -91.000
       HIS 46     0.900     2.955  54.732   0.754  -99.200  -91.000
       HIS 50     0.900    -0.967  51.607  -0.678  -99.200  -91.000
       HIS 56     0.900     5.580  48.901  16.218  -99.200  -91.000
       PHE 61     1.000    19.619  39.464   3.578  -99.200  -91.000
       PHE 76     1.000   -17.199  43.461  10.028  -99.200  -91.000
       HIS 80     0.900   -24.413  51.035   6.215  -99.200  -91.000
       HIS 92     0.900   -23.666  48.255  14.129  -99.200  -91.000
       PHE 100     1.000    -5.407  42.534   8.233  -99.200  -91.000
       PHE 103     1.000   -13.834  48.780   8.474  -99.200  -91.000
       PHE 109     1.000   -20.247  48.608  -5.104  -99.200  -91.000
       PHE 113     1.000    -7.820  60.373  -5.371  -99.200  -91.000
       HIS 114     0.900   -14.856  59.114  -7.793  -99.200  -91.000
       PHE 115     1.000    -8.656  65.523  -5.265  -99.200  -91.000
       PHE 117     1.000    -9.829  58.951   0.370  -99.200  -91.000
       PHE 119     1.000   -12.248  60.651   6.398  -99.200  -91.000
       TYR 127     0.840   -15.006  50.189  18.580  -99.200  -91.000
       HIS 150     0.900    -1.684  62.673   7.262  -99.200  -91.000
       HIS 153     0.900    -2.328  56.873   7.563  -99.200  -91.000
       PHE 157     1.000     0.880  53.109  10.710  -99.200  -91.000
       TYR 177     0.840   -14.727  36.485   2.054  -99.200  -91.000
       PHE 178     1.000    -5.799  31.543   5.295  -99.200  -91.000
       PHE 199     1.000    -6.963  31.765  -1.176  -99.200  -91.000