=============================================================================
          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   -22.786  59.072  37.412  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2jxrI1 PHE 328 HA     0.00   0.00   0.00  -0.75   4.62     3.87
2jxrI1 PHE 328 HB2    0.00   0.00   0.00  -0.04   3.15     3.11
2jxrI1 PHE 328 HB3    0.00   0.00   0.00  -0.04   3.06     3.02
2jxrI1 PHE 328 HD2    0.00  -0.00   0.00  -0.04   7.28     7.24
2jxrI1 PHE 328 HE2    0.00  -0.00   0.00  -0.04   7.38     7.34
2jxrI1 PHE 328 HZ     0.00   0.00   0.00  -0.04   7.32     7.28