=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 41 rings
        ring        int.           center             anis.    iso.
       HIS  5     0.900     9.582  13.206  22.950  -99.200  -91.000
       PHE 12     1.000    20.626  18.106  11.832  -99.200  -91.000
       TYR 18     0.840     5.063  26.412  24.798  -99.200  -91.000
       PHE 52     1.000    16.771  44.676  49.623  -99.200  -91.000
       HIS 54     0.900    27.157  42.616  48.341  -99.200  -91.000
       HIS 57     0.900    16.039  49.572  53.455  -99.200  -91.000
       TYR 59     0.840    22.152  49.618  43.948  -99.200  -91.000
       HIS 60     0.900    19.026  46.638  46.994  -99.200  -91.000
       PHE 94     1.000    42.049  36.730  61.077  -99.200  -91.000
       TYR 108     0.840    44.953  27.088  71.122  -99.200  -91.000
       PHE 115     1.000    41.375  36.968  72.823  -99.200  -91.000
       PHE 124     1.000    40.770  32.516  63.522  -99.200  -91.000
       TYR 125     0.840    34.201  37.189  67.894  -99.200  -91.000
       TYR 128     0.840    26.765  29.239  65.605  -99.200  -91.000
       TYR 140     0.840    37.515  17.461  58.508  -99.200  -91.000
       TYR 142     0.840    34.865  22.667  54.657  -99.200  -91.000
       HIS 155     0.900    34.624  21.359  72.968  -99.200  -91.000
       HIS 169     0.900    43.513  31.096  51.808  -99.200  -91.000
       PHE 199     1.000    12.924  49.418  50.776  -99.200  -91.000
       PHE 209     1.000    13.966  34.907  44.320  -99.200  -91.000
       PHE 212     1.000    22.807  28.998  56.740  -99.200  -91.000
       HIS 242     0.900    24.345  19.536  57.441  -99.200  -91.000
       TYR 304     0.840    34.118  39.889  34.701  -99.200  -91.000
       PHE 321     1.000    16.954  18.084  28.467  -99.200  -91.000
       TYR 338     0.840    30.564  40.053  26.515  -99.200  -91.000
       TYR 345     0.840    24.324  30.234  24.288  -99.200  -91.000
       TYR 360     0.840     1.257  11.088  28.488  -99.200  -91.000
       PHE 362     1.000     9.223  16.670  33.915  -99.200  -91.000
       PHE 363     1.000    -1.363  13.975  32.519  -99.200  -91.000
       HIS 371     0.900    -6.002  10.200  48.918  -99.200  -91.000
       TYR 389     0.840     0.184  15.587  27.359  -99.200  -91.000
       TYR 412     0.840    -1.768  17.182  37.843  -99.200  -91.000
       PHE 441     1.000    -4.993  44.199  34.858  -99.200  -91.000
       PHE 442     1.000   -11.927  41.052  31.569  -99.200  -91.000
       HIS 449     0.900   -18.153  44.018  38.970  -99.200  -91.000
       HIS 455     0.900   -17.567  40.480  28.003  -99.200  -91.000
       PHE 463     1.000    -0.871  36.143  25.346  -99.200  -91.000
       TYR 469     0.840     1.301  30.583  22.199  -99.200  -91.000
       TYR 475     0.840   -11.121  19.813  19.378  -99.200  -91.000
       HIS 480     0.900   -14.810  28.712  37.362  -99.200  -91.000
       TYR 482     0.840   -12.366  24.032  43.734  -99.200  -91.000