=============================================================================
          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
=============================================================================
1apwI1 VAL   3 HA     0.00  -0.05   0.18  -0.75   4.13     3.50
1apwI1 VAL   3 HB     0.00  -0.06   0.03  -0.04   2.12     2.06
1apwI1 VAL   3 HG13   0.00   0.00   0.03  -0.04   0.97     0.96
1apwI1 VAL   3 HG23   0.00  -0.01  -0.10  -0.04   0.95     0.80
1apwI1 VAL   2 H      0.00   0.18   0.00  -0.55   8.24     7.87
1apwI1 VAL   2 HA     0.00   0.23   0.55  -0.75   4.13     4.15
1apwI1 VAL   2 HB     0.00  -0.02   0.04  -0.04   2.12     2.10
1apwI1 VAL   2 HG13   0.00   0.00   0.03  -0.04   0.97     0.97
1apwI1 VAL   2 HG23   0.00   0.02  -0.20  -0.04   0.95     0.73