=============================================================================
          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
=============================================================================
13gsC1 GLU   1 HA     0.00   0.00   0.00  -0.75   4.29     3.54
13gsC1 GLU   1 HB2    0.00  -0.05   0.08  -0.04   2.09     2.08
13gsC1 GLU   1 HB3    0.00  -0.05   0.15  -0.04   1.99     2.05
13gsC1 GLU   1 HG2    0.00  -0.11   4.53  -0.04   2.34     6.72
13gsC1 GLU   1 HG3    0.00  -0.06  -2.06  -0.04   2.34     0.18
13gsC1 CYS   2 HA     0.00  -0.09   0.23  -0.75   4.58     3.97
13gsC1 CYS   2 HB2    0.00   0.00  -0.06  -0.04   2.97     2.87
13gsC1 CYS   2 HB3    0.00  -0.06   0.03  -0.04   2.97     2.90
13gsC1 GLY   3 H      0.00   0.09   0.02  -0.55   8.43     7.99
13gsC1 GLY   3 HA2    0.00   0.00   0.18  -0.51   4.01     3.68
13gsC1 GLY   3 HA3    0.00   0.27   0.71  -0.51   4.01     4.47