=============================================================================
          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
=============================================================================
1n0wL1 THR   1 HA     0.00  -0.08   0.21  -0.75   4.39     3.76
1n0wL1 THR   1 HB     0.00  -0.02   0.06  -0.04   4.32     4.31
1n0wL1 THR   1 HG23   0.00  -0.00  -0.16  -0.04   1.22     1.01
1n0wL1 GLY   2 H      0.00   0.08   0.11  -0.55   8.43     8.07
1n0wL1 GLY   2 HA2    0.00   0.19   0.87  -0.51   4.01     4.56
1n0wL1 GLY   2 HA3    0.00  -0.01   0.29  -0.51   4.01     3.78
1n0wL1 SER   3 H      0.00   0.31   0.06  -0.55   8.46     8.29
1n0wL1 SER   3 HA     0.00   0.18   0.46  -0.75   4.49     4.38
1n0wL1 SER   3 HB2    0.00  -0.00   0.04  -0.04   3.95     3.95
1n0wL1 SER   3 HB3    0.00   0.10  -0.22  -0.04   3.93     3.77