=============================================================================
          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    42.118  36.864  50.091  -99.200  -91.000
       PHE  2     1.000    40.937  39.695  37.134  -99.200  -91.000
       TYR  9     0.840    29.346  44.046  33.447  -99.200  -91.000
       TYR 16     0.840    17.874  28.703  34.279  -99.200  -91.000
       HIS 22     0.900    13.758  28.004  41.684  -99.200  -91.000
       PHE 23     1.000    14.233  32.935  34.671  -99.200  -91.000
       HIS 42     0.900     9.054  42.993  41.665  -99.200  -91.000
       TYR 56     0.840    27.908  49.014  43.097  -99.200  -91.000
       TYR 65     0.840    22.906  49.904  44.133  -99.200  -91.000
       TYR 75     0.840    21.291  43.933  52.614  -99.200  -91.000
       PHE 86     1.000    27.248  40.303  45.578  -99.200  -91.000
       HIS 94     0.900    28.064  27.207  29.707  -99.200  -91.000
       TYR 95     0.840    26.998  26.409  34.348  -99.200  -91.000
       TYR 98     0.840    27.367  37.234  39.292  -99.200  -91.000
       HIS 103     0.900    31.186  38.880  54.674  -99.200  -91.000
       TRP 108     1.040    30.680  33.516  53.674  -99.200  -91.000
      TRP6 108     1.020    29.780  35.090  55.183  -99.200  -91.000
       PHE 109     1.000    31.377  30.774  45.513  -99.200  -91.000
       HIS 125     0.900    30.465  23.628  49.216  -99.200  -91.000
       TYR 126     0.840    35.468  28.577  43.952  -99.200  -91.000
       PHE 133     1.000    23.033  32.501  40.234  -99.200  -91.000