=============================================================================
          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.
       HIS  6     0.900   -42.229  28.248 -24.071  -99.200  -91.000
       HIS 49     0.900   -48.676  24.785 -32.832  -99.200  -91.000
       PHE 50     1.000   -49.138  32.874 -26.159  -99.200  -91.000