=============================================================================
          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
=============================================================================
1nkkF1 VAL 561 HA     0.00  -0.00   0.02  -0.75   4.13     3.40
1nkkF1 VAL 561 HB     0.00  -0.01   0.01  -0.04   2.12     2.08
1nkkF1 VAL 561 HG13   0.00   0.01   0.01  -0.04   0.97     0.95
1nkkF1 VAL 561 HG23   0.00  -0.00   0.01  -0.04   0.95     0.91
1nkkF1 ALA 564 HA     0.00   0.00   0.03  -0.75   4.34     3.62
1nkkF1 ALA 564 HB3    0.00  -0.00   0.01  -0.04   1.41     1.38