=============================================================================
          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.
       HIS  2     0.900     9.932   3.758 -13.773  -99.200  -91.000
       PHE  5     1.000    10.613  -1.468 -11.441  -99.200  -91.000