=============================================================================
          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
=============================================================================
1cghS1 VAL   2 H      0.00   0.14   0.07  -0.55   8.24     7.90
1cghS1 VAL   2 HA     0.00  -0.04   0.06  -0.75   4.13     3.39
1cghS1 VAL   2 HB     0.00  -0.05   0.05  -0.04   2.12     2.08
1cghS1 VAL   2 HG13   0.00  -0.00   0.03  -0.04   0.97     0.95
1cghS1 VAL   2 HG23   0.00   0.03   0.04  -0.04   0.95     0.98
1cghS1 PRO   3 HA     0.00   0.13   0.40  -0.51   4.44     4.46
1cghS1 PRO   3 HB2    0.00   0.02   0.04  -0.04   2.28     2.30
1cghS1 PRO   3 HB3    0.00   0.04   0.09  -0.04   2.02     2.11
1cghS1 PRO   3 HG2    0.00   0.02   0.06  -0.04   2.03     2.06
1cghS1 PRO   3 HG3    0.00   0.04   0.05  -0.04   2.03     2.09
1cghS1 PRO   3 HD2    0.00   0.06   0.15  -0.04   3.68     3.84
1cghS1 PRO   3 HD3    0.00   0.13   0.02  -0.04   3.65     3.76