=============================================================================
          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
=============================================================================
12gsC1 GLU   1 HA     0.00   0.00   0.03  -0.75   4.29     3.57
12gsC1 GLU   1 HB2    0.00   0.00   0.07  -0.04   2.09     2.12
12gsC1 GLU   1 HB3    0.00  -0.01   0.04  -0.04   1.99     1.98
12gsC1 GLU   1 HG2    0.00  -0.01   0.11  -0.04   2.34     2.39
12gsC1 GLU   1 HG3    0.00  -0.00   0.35  -0.04   2.34     2.64
12gsC1 GLY   3 HA2    0.00  -0.01   0.02  -0.51   4.01     3.51
12gsC1 GLY   3 HA3    0.00   0.00   0.03  -0.51   4.01     3.54