=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 21 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    43.753  39.515  41.626  -99.200  -91.000
       PHE  2     1.000    41.192  39.736  36.901  -99.200  -91.000
       TYR  9     0.840    29.827  44.054  33.144  -99.200  -91.000
       TYR 16     0.840    18.264  28.747  33.894  -99.200  -91.000
       HIS 22     0.900    13.668  28.141  41.480  -99.200  -91.000
       PHE 23     1.000    14.519  32.994  34.474  -99.200  -91.000
       HIS 42     0.900     9.240  43.324  41.240  -99.200  -91.000
       TYR 56     0.840    28.022  49.090  42.897  -99.200  -91.000
       TYR 65     0.840    23.050  50.086  43.881  -99.200  -91.000
       TYR 75     0.840    21.325  43.943  52.402  -99.200  -91.000
       PHE 86     1.000    27.340  40.421  45.399  -99.200  -91.000
       HIS 94     0.900    28.269  27.120  29.500  -99.200  -91.000
       TYR 95     0.840    27.143  26.345  34.250  -99.200  -91.000
       TYR 98     0.840    27.488  37.156  39.163  -99.200  -91.000
       HIS 103     0.900    31.164  38.988  54.585  -99.200  -91.000
       TRP 108     1.040    30.676  33.660  53.510  -99.200  -91.000
      TRP6 108     1.020    29.722  35.181  55.046  -99.200  -91.000
       PHE 109     1.000    31.471  30.749  45.277  -99.200  -91.000
       HIS 125     0.900    30.237  23.560  49.030  -99.200  -91.000
       TYR 126     0.840    35.527  28.412  43.951  -99.200  -91.000
       PHE 133     1.000    23.172  32.605  40.045  -99.200  -91.000