=============================================================================
          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  1     1.000   -25.997  23.662  22.684  -99.200  -91.000
       PHE 14     1.000    -7.700  17.498  45.693  -99.200  -91.000
       TYR 30     0.840    -0.781  29.869  35.130  -99.200  -91.000