=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 4 rings
        ring        int.           center             anis.    iso.
       HIS  6     0.900    34.583  -6.328 -47.728  -99.200  -91.000
       TYR  8     0.840    30.145  -9.259 -39.162  -99.200  -91.000
       PHE  9     1.000    34.432 -12.559 -39.067  -99.200  -91.000
       PHE 31     1.000    47.108  13.349 -44.270  -99.200  -91.000