=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 27 rings
        ring        int.           center             anis.    iso.
       TRP  1     1.040   -23.148   3.136  21.486  -99.200  -91.000
      TRP6  1     1.020   -21.642   1.927  20.124  -99.200  -91.000
       HIS  3     0.900   -27.465  10.928  23.893  -99.200  -91.000
       HIS 12     0.900   -13.000  13.796  13.168  -99.200  -91.000
       TYR 17     0.840    -4.406   9.838  21.984  -99.200  -91.000
       PHE 22     1.000    -1.245  13.260  20.461  -99.200  -91.000
       HIS 23     0.900    -5.113  22.736  19.393  -99.200  -91.000
       HIS 26     0.900    -8.744  20.413  24.039  -99.200  -91.000
       PHE 29     1.000   -12.523  12.502  22.162  -99.200  -91.000
       TRP 33     1.040   -17.643  18.704  28.663  -99.200  -91.000
      TRP6 33     1.020   -17.450  21.018  29.090  -99.200  -91.000
       TYR 34     0.840   -18.287  23.824  24.788  -99.200  -91.000
       TYR 36     0.840   -23.886  14.708  25.232  -99.200  -91.000
       PHE 45     1.000   -16.260   8.448  26.575  -99.200  -91.000
       HIS 47     0.900   -13.918  18.406  31.700  -99.200  -91.000
       TYR 57     0.840    -1.201  20.395  21.425  -99.200  -91.000
       HIS 59     0.900     5.403  12.428  26.599  -99.200  -91.000
       PHE 60     1.000     3.252  11.151  22.330  -99.200  -91.000
       PHE 62     1.000     2.855  22.655  23.077  -99.200  -91.000
       PHE 72     1.000    -2.158  11.393  30.300  -99.200  -91.000
       TYR 78     0.840   -13.550  15.968  35.141  -99.200  -91.000
       PHE 79     1.000   -11.503   8.967  30.926  -99.200  -91.000
       TYR 86     0.840   -20.463   6.021  27.994  -99.200  -91.000
       TYR 87     0.840   -22.004   6.690  23.362  -99.200  -91.000
       HIS 109     0.900     7.105   7.636  24.434  -99.200  -91.000
       TRP 111     1.040    -2.775   3.243  24.651  -99.200  -91.000
      TRP6 111     1.020    -4.014   5.171  25.251  -99.200  -91.000