=============================================================================
          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
=============================================================================
1apvI1 VAL   3 HA     0.00  -0.06   0.17  -0.75   4.13     3.49
1apvI1 VAL   3 HB     0.00  -0.06   0.04  -0.04   2.12     2.06
1apvI1 VAL   3 HG13   0.00   0.00   0.03  -0.04   0.97     0.96
1apvI1 VAL   3 HG23   0.00  -0.01  -0.11  -0.04   0.95     0.79
1apvI1 VAL   2 H      0.00   0.17   0.00  -0.55   8.24     7.86
1apvI1 VAL   2 HA     0.00   0.22   0.52  -0.75   4.13     4.12
1apvI1 VAL   2 HB     0.00  -0.02   0.03  -0.04   2.12     2.09
1apvI1 VAL   2 HG13   0.00   0.00   0.04  -0.04   0.97     0.97
1apvI1 VAL   2 HG23   0.00   0.02  -0.19  -0.04   0.95     0.74