=============================================================================
          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
=============================================================================
1x3zI1 VAL   1 HA     0.00  -0.11   0.20  -0.75   4.13     3.47
1x3zI1 VAL   1 HB     0.00  -0.03   0.04  -0.04   2.12     2.09
1x3zI1 VAL   1 HG13   0.00  -0.01   0.02  -0.04   0.97     0.94
1x3zI1 VAL   1 HG23   0.00   0.02  -0.14  -0.04   0.95     0.79
1x3zI1 ALA   2 H      0.00   0.05   0.00  -0.55   8.40     7.90
1x3zI1 ALA   2 HA     0.00   0.17   0.10  -0.75   4.34     3.86
1x3zI1 ALA   2 HB3    0.00   0.01   0.06  -0.04   1.41     1.44