=============================================================================
          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
=============================================================================
2da8B1 ALA   2 H      0.00   0.06   0.01  -0.55   8.40     7.92
2da8B1 ALA   2 HA     0.00  -0.02   0.10  -0.75   4.34     3.67
2da8B1 ALA   2 HB3    0.00   0.00   0.00  -0.04   1.41     1.37
2da8B1 VAL   4 H      0.00   0.06   0.00  -0.55   8.24     7.75
2da8B1 VAL   4 HA     0.00  -0.01   0.08  -0.75   4.13     3.45
2da8B1 VAL   4 HB     0.00   0.03  -0.00  -0.04   2.12     2.10
2da8B1 VAL   4 HG13   0.00   0.00  -0.00  -0.04   0.97     0.93
2da8B1 VAL   4 HG23   0.00  -0.01  -0.09  -0.04   0.95     0.81