=============================================================================
          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
=============================================================================
3meuC1 ALA   1 HA     0.00  -0.03   0.05  -0.75   4.34     3.61
3meuC1 ALA   1 HB3    0.00  -0.01  -0.00  -0.04   1.41     1.36
3meuC1 THR   3 HA     0.00  -0.04   0.10  -0.75   4.39     3.70
3meuC1 THR   3 HB     0.00  -0.00   0.03  -0.04   4.32     4.31
3meuC1 THR   3 HG23   0.00  -0.00  -0.17  -0.04   1.22     1.00
3meuC1 GLN   5 HA     0.00   0.01  -0.12  -0.75   4.36     3.50