=============================================================================
          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  8     1.000    -3.163   8.160  15.505  -99.200  -91.000
       PHE 39     1.000     7.366  16.061  15.724  -99.200  -91.000
       HIS 42     0.900    15.820  16.227  15.935  -99.200  -91.000