=============================================================================
          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.
       PHE  8     1.000   -28.157   8.286   3.823  -99.200  -91.000
       PHE 39     1.000   -15.705  10.582   7.781  -99.200  -91.000
       HIS 42     0.900   -11.252  14.964  13.036  -99.200  -91.000
       PHE 71     1.000   -19.451  -0.654  12.868  -99.200  -91.000