=============================================================================
          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
=============================================================================
1ktrM1 GLY 150 HA2    0.00  -0.07   0.17  -0.51   4.01     3.60
1ktrM1 GLY 150 HA3    0.00  -0.07   0.12  -0.51   4.01     3.55
1ktrM1 GLY 151 H      0.00   0.01   0.00  -0.55   8.43     7.90
1ktrM1 GLY 151 HA2    0.00   0.01   0.19  -0.51   4.01     3.70
1ktrM1 GLY 151 HA3    0.00   0.13   0.28  -0.51   4.01     3.91