=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 17 rings
        ring        int.           center             anis.    iso.
       HIS  4     0.900    57.922   1.028  38.836  -99.200  -91.000
       TYR 15     0.840    56.863   8.828  38.745  -99.200  -91.000
       HIS 23     0.900    68.317   1.504  33.906  -99.200  -91.000
       TYR 26     0.840    66.452  12.639  27.501  -99.200  -91.000
       PHE 35     1.000    52.670  15.825  24.375  -99.200  -91.000
       PHE 39     1.000    61.828  12.071  25.721  -99.200  -91.000
       HIS 41     0.900    65.396   7.319  15.594  -99.200  -91.000
       PHE 46     1.000    52.227   2.062  12.175  -99.200  -91.000
       TYR 51     0.840    51.178  -2.638  23.531  -99.200  -91.000
       PHE 52     1.000    49.178   2.448  24.557  -99.200  -91.000
       TYR 53     0.840    42.884   1.303  15.543  -99.200  -91.000
       HIS 55     0.900    48.486  -5.171  22.094  -99.200  -91.000
       PHE 61     1.000    59.073   2.086  23.820  -99.200  -91.000
       PHE 63     1.000    63.699   7.048  25.827  -99.200  -91.000
       HIS 68     0.900    71.760  13.559  20.213  -99.200  -91.000
       TRP 72     1.040    65.937  -2.747  20.293  -99.200  -91.000
      TRP6 72     1.020    63.828  -2.650  19.166  -99.200  -91.000