=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2fheH1 GLU 233 HA     0.00  -0.02   0.08  -0.75   4.29     3.60
2fheH1 GLU 233 HB2    0.00  -0.04  -0.42  -0.04   2.09     1.58
2fheH1 GLU 233 HB3    0.00  -0.01  -1.11  -0.04   1.99     0.83
2fheH1 GLU 233 HG2    0.00  -0.05   2.71  -0.04   2.34     4.96
2fheH1 GLU 233 HG3    0.00  -0.14   0.20  -0.04   2.34     2.36
2fheH1 CYS 234 HA     0.00  -0.02   0.16  -0.75   4.58     3.96
2fheH1 CYS 234 HB2    0.00  -0.01   0.04  -0.04   2.97     2.96
2fheH1 CYS 234 HB3    0.00  -0.01   0.14  -0.04   2.97     3.07
2fheH1 GLY 235 H      0.00   0.16   0.04  -0.55   8.43     8.09
2fheH1 GLY 235 HA2    0.00   0.22   0.72  -0.51   4.01     4.44
2fheH1 GLY 235 HA3    0.00   0.02   0.15  -0.51   4.01     3.67