=============================================================================
          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
=============================================================================
1ikfC1 VAL 505 HA     0.00   0.01   0.07  -0.75   4.13     3.45
1ikfC1 VAL 505 HB     0.00  -0.03   0.01  -0.04   2.12     2.06
1ikfC1 VAL 505 HG13   0.00   0.01  -0.08  -0.04   0.97     0.86
1ikfC1 VAL 505 HG23   0.00  -0.01   0.01  -0.04   0.95     0.91
1ikfC1 ALA 507 HA     0.00   0.03   0.09  -0.75   4.34     3.70
1ikfC1 ALA 507 HB3    0.00  -0.00   0.04  -0.04   1.41     1.40