=============================================================================
          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 18     1.000   -21.240 -49.682  21.024  -99.200  -91.000
       HIS 20     0.900   -19.371 -37.756  24.230  -99.200  -91.000
       HIS 54     0.900   -17.940 -42.046  20.380  -99.200  -91.000