=============================================================================
          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
=============================================================================
1a86I1 ASP   2 H      0.00   0.12   0.00  -0.55   8.40     7.98
1a86I1 ASP   2 HA     0.00   0.00   0.00  -0.75   4.63     3.88
1a86I1 ASP   2 HB2    0.00   0.00   0.00  -0.04   2.71     2.67
1a86I1 ASP   2 HB3    0.00   0.00   0.00  -0.04   2.70     2.66