=============================================================================
          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.
       TYR 14     0.840   -19.455  16.171  21.563  -99.200  -91.000
       PHE 52     1.000   -26.610   5.869  27.686  -99.200  -91.000