=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 14 rings
        ring        int.           center             anis.    iso.
       TYR 15     0.840    50.242  38.426  49.651  -99.200  -91.000
       HIS 21     0.900    53.874  38.093  56.261  -99.200  -91.000
       PHE 31     1.000    40.222  47.188  60.029  -99.200  -91.000
       TYR 32     0.840    41.157  44.671  63.920  -99.200  -91.000
       PHE 44     1.000    28.811  46.081  67.225  -99.200  -91.000
       PHE 45     1.000    35.821  44.741  66.877  -99.200  -91.000
       PHE 60     1.000    37.990  37.647  54.627  -99.200  -91.000
       PHE 61     1.000    41.260  43.036  55.650  -99.200  -91.000
       TYR 71     0.840    39.245  33.497  56.877  -99.200  -91.000
       HIS 80     0.900    31.847  39.554  60.736  -99.200  -91.000
       HIS 88     0.900    26.661  54.235  61.393  -99.200  -91.000
       HIS 89     0.900    27.013  49.294  63.828  -99.200  -91.000
       PHE 90     1.000    30.913  46.008  54.909  -99.200  -91.000
       HIS 96     0.900    37.051  53.614  61.397  -99.200  -91.000