=============================================================================
          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
=============================================================================
1cwjC1 VAL   2 HA     0.00  -0.00   0.06  -0.75   4.13     3.43
1cwjC1 VAL   2 HB     0.00  -0.01   0.02  -0.04   2.12     2.10
1cwjC1 VAL   2 HG13   0.00  -0.00   0.02  -0.04   0.97     0.95
1cwjC1 VAL   2 HG23   0.00  -0.00   0.01  -0.04   0.95     0.91
1cwjC1 VAL   5 HA     0.00   0.03   0.04  -0.75   4.13     3.45
1cwjC1 VAL   5 HB     0.00  -0.03   0.05  -0.04   2.12     2.10
1cwjC1 VAL   5 HG13   0.00   0.00  -0.01  -0.04   0.97     0.93
1cwjC1 VAL   5 HG23   0.00  -0.00   0.07  -0.04   0.95     0.98
1cwjC1 ALA   7 HA     0.00   0.00  -0.01  -0.75   4.34     3.58
1cwjC1 ALA   7 HB3    0.00  -0.00   0.05  -0.04   1.41     1.42