=============================================================================
          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
=============================================================================
1qfiC1 THR  23 HA     0.00   0.00   0.06  -0.75   4.39     3.69
1qfiC1 THR  23 HB     0.00  -0.03   0.03  -0.04   4.32     4.27
1qfiC1 THR  23 HG23   0.00  -0.00  -0.00  -0.04   1.22     1.17
1qfiC1 THR  28 HA     0.00   0.03  -1.13  -0.75   4.39     2.54
1qfiC1 THR  28 HB     0.00  -0.04  -0.04  -0.04   4.32     4.20
1qfiC1 THR  28 HG23   0.00  -0.01  -0.02  -0.04   1.22     1.16