=============================================================================
          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
=============================================================================
3knlZ1 SER   6 HA     0.00   0.00   0.00  -0.75   4.49     3.74
3knlZ1 SER   6 HB2    0.00   0.00   0.00  -0.04   3.95     3.91
3knlZ1 SER   6 HB3    0.00   0.00   0.00  -0.04   3.93     3.89