=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 13 rings
        ring        int.           center             anis.    iso.
       TYR  3     0.840   -12.644   0.819  60.477  -99.200  -91.000
       PHE 14     1.000    -5.835   7.463  59.278  -99.200  -91.000
       HIS 23     0.900    -1.521   6.997  61.548  -99.200  -91.000
       HIS 27     0.900     1.779   5.878  65.509  -99.200  -91.000
       PHE 33     1.000     6.326  -1.007  49.724  -99.200  -91.000
       PHE 42     1.000    12.687   5.340  49.531  -99.200  -91.000
       HIS 47     0.900     5.309   8.797  49.052  -99.200  -91.000
       HIS 51     0.900    15.062   7.138  46.262  -99.200  -91.000
       HIS 55     0.900    18.998   6.461  42.894  -99.200  -91.000
       PHE 61     1.000     4.247  12.963  35.865  -99.200  -91.000
       PHE 70     1.000     9.227  20.617  36.467  -99.200  -91.000
       HIS 79     0.900     7.865  25.115  35.468  -99.200  -91.000
       HIS 83     0.900     5.727  28.972  32.499  -99.200  -91.000