=============================================================================
          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
=============================================================================
2jueA16 GLY   2 H      0.00   0.12   0.00  -0.55   8.43     8.00
2jueA16 GLY   2 HA2    0.00   0.00   0.00  -0.51   4.01     3.51
2jueA16 GLY   2 HA3    0.00   0.00   0.00  -0.51   4.01     3.51
2jueA16 GLY   7 H      0.00   0.11   0.08  -0.55   8.43     8.07
2jueA16 GLY   7 HA2    0.00  -0.01   0.16  -0.51   4.01     3.66
2jueA16 GLY   7 HA3    0.00  -0.00   0.14  -0.51   4.01     3.64
2jueA16 GLY   8 H      0.00   0.13   0.03  -0.55   8.43     8.04
2jueA16 GLY   8 HA2    0.00   0.17   0.37  -0.51   4.01     4.04
2jueA16 GLY   8 HA3    0.00   0.04   0.20  -0.51   4.01     3.74
2jueA16 GLY  14 H      0.00   0.13   0.01  -0.55   8.43     8.02
2jueA16 GLY  14 HA2    0.00   0.00   0.03  -0.51   4.01     3.53
2jueA16 GLY  14 HA3    0.00   0.01   0.02  -0.51   4.01     3.53
2jueA16 GLY  26 H      0.00   0.09  -0.00  -0.55   8.43     7.97
2jueA16 GLY  26 HA2    0.00   0.00   0.04  -0.51   4.01     3.54
2jueA16 GLY  26 HA3    0.00  -0.01   0.03  -0.51   4.01     3.53