=============================================================================
          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     6.214  27.806  -6.103  -99.200  -91.000
       TYR  5     0.840     9.619  26.247 -10.380  -99.200  -91.000
       PHE  6     1.000     5.250  16.326  -9.261  -99.200  -91.000
       PHE 28     1.000    18.556  -6.301  -1.059  -99.200  -91.000