=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 4 rings
        ring        int.           center             anis.    iso.
       HIS  3     0.900     6.309  27.968  -5.850  -99.200  -91.000
       TYR  5     0.840     9.416  26.410 -10.322  -99.200  -91.000
       PHE  6     1.000     5.359  16.390  -9.145  -99.200  -91.000
       PHE 28     1.000    18.690  -6.183  -1.004  -99.200  -91.000