=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       PHE 12     1.000    33.169 -21.970 101.476  -99.200  -91.000
       TYR 28     0.840    48.399 -18.177 108.654  -99.200  -91.000