=============================================================================
          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
=============================================================================
1a8gC1 VAL   4 HA     0.00   0.00   0.00  -0.75   4.13     3.38
1a8gC1 VAL   4 HB     0.00   0.00   0.00  -0.04   2.12     2.08
1a8gC1 VAL   4 HG13   0.00   0.00   0.00  -0.04   0.97     0.93
1a8gC1 VAL   4 HG23   0.00   0.00   0.00  -0.04   0.95     0.91