=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 3 rings
        ring        int.           center             anis.    iso.
       PHE  2     1.000    11.404 -48.468 107.817  -99.200  -91.000
       PHE 15     1.000    24.895 -30.109  94.887  -99.200  -91.000
       TYR 31     0.840    37.212 -34.679 106.808  -99.200  -91.000