=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 25 rings
        ring        int.           center             anis.    iso.
       HIS 18     0.900    14.763  72.227  31.115  -99.200  -91.000
       HIS 26     0.900     4.751  69.986  39.276  -99.200  -91.000
       HIS 28     0.900     7.397  67.023  42.182  -99.200  -91.000
       TYR 34     0.840    28.242  67.137  44.393  -99.200  -91.000
       HIS 38     0.900    30.191  72.799  35.914  -99.200  -91.000
       TYR 53     0.840    31.491  62.314  45.401  -99.200  -91.000
       PHE 56     1.000    25.291  57.013  41.376  -99.200  -91.000
       PHE 64     1.000    23.215  58.641  45.880  -99.200  -91.000
       HIS 80     0.900    18.207  54.943  39.127  -99.200  -91.000
       TRP 85     1.040    30.406  58.102  24.545  -99.200  -91.000
      TRP6 85     1.020    32.454  59.188  24.022  -99.200  -91.000
       PHE 97     1.000    30.991  46.297  28.082  -99.200  -91.000
       PHE 100     1.000    28.001  46.021  35.651  -99.200  -91.000
       HIS 103     0.900    25.843  54.279  31.263  -99.200  -91.000
       TYR 107     0.840    20.635  44.472  40.961  -99.200  -91.000
       HIS 112     0.900    20.941  48.080  48.937  -99.200  -91.000
       HIS 127     0.900    15.375  51.963  35.391  -99.200  -91.000
       HIS 140     0.900    30.092  56.208  20.204  -99.200  -91.000
       TYR 143     0.840    26.440  55.633  25.689  -99.200  -91.000
       PHE 157     1.000    15.070  46.807  39.912  -99.200  -91.000
       PHE 161     1.000    11.419  47.575  43.308  -99.200  -91.000
       TYR 191     0.840     9.484  69.021  34.006  -99.200  -91.000
       TYR 196     0.840     2.438  59.709  29.386  -99.200  -91.000
       TYR 202     0.840    -4.105  50.946  32.648  -99.200  -91.000
       HIS 215     0.900    11.309  55.802  15.331  -99.200  -91.000