=============================================================================
          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
=============================================================================
1lybJ1 VAL   2 H      0.00   0.05  -0.12  -0.55   8.24     7.62
1lybJ1 VAL   2 HA     0.00  -0.06   0.19  -0.75   4.13     3.51
1lybJ1 VAL   2 HB     0.00  -0.01   0.08  -0.04   2.12     2.15
1lybJ1 VAL   2 HG13   0.00  -0.01  -0.06  -0.04   0.97     0.86
1lybJ1 VAL   2 HG23   0.00  -0.00   0.03  -0.04   0.95     0.94
1lybJ1 VAL   3 H      0.00   0.28   0.03  -0.55   8.24     8.00
1lybJ1 VAL   3 HA     0.00   0.22   0.39  -0.75   4.13     3.98
1lybJ1 VAL   3 HB     0.00   0.08   0.08  -0.04   2.12     2.24
1lybJ1 VAL   3 HG13   0.00  -0.01  -0.12  -0.04   0.97     0.80
1lybJ1 VAL   3 HG23   0.00   0.01   0.02  -0.04   0.95     0.94
1lybJ1 ALA   5 H      0.00   0.14  -0.00  -0.55   8.40     7.99
1lybJ1 ALA   5 HA     0.00   0.01   0.14  -0.75   4.34     3.73
1lybJ1 ALA   5 HB3    0.00  -0.00   0.03  -0.04   1.41     1.40