=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 16 rings
        ring        int.           center             anis.    iso.
       HIS  1     0.900    49.572  45.039  24.955  -99.200  -91.000
       HIS  2     0.900    46.209  39.274  23.897  -99.200  -91.000
       HIS  3     0.900    41.097  39.688  22.667  -99.200  -91.000
       PHE  9     1.000    36.068  52.628   9.610  -99.200  -91.000
       TYR 12     0.840    35.994  58.214   7.661  -99.200  -91.000
       HIS 45     0.900    48.256  40.239 -14.488  -99.200  -91.000
       HIS 48     0.900    48.758  43.148  -4.163  -99.200  -91.000
       TYR 71     0.840    42.513  34.089  -4.610  -99.200  -91.000
       HIS 89     0.900    48.879  39.831   5.023  -99.200  -91.000
       HIS 97     0.900    44.056  41.861  -2.141  -99.200  -91.000
       TYR 116     0.840    33.109  52.125  -6.235  -99.200  -91.000
       PHE 119     1.000    34.030  48.929  -2.267  -99.200  -91.000
       PHE 135     1.000    43.946  50.429 -11.200  -99.200  -91.000
       TYR 155     0.840    32.844  54.442   8.012  -99.200  -91.000
       TYR 164     0.840    37.113  66.274   3.078  -99.200  -91.000
       TYR 171     0.840    27.109  67.272   2.804  -99.200  -91.000