=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       PHE  1     1.000    35.785  -3.450  -2.947  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1epoI1 PHE   3 HA     0.00   0.00   0.00  -0.75   4.62     3.87
1epoI1 PHE   3 HB2    0.00   0.00   0.00  -0.04   3.15     3.11
1epoI1 PHE   3 HB3    0.00   0.00   0.00  -0.04   3.06     3.02
1epoI1 PHE   3 HD2    0.00  -0.00   0.00  -0.04   7.28     7.24
1epoI1 PHE   3 HE2    0.00  -0.00   0.00  -0.04   7.38     7.34
1epoI1 PHE   3 HZ     0.00   0.00   0.00  -0.04   7.32     7.28