=============================================================================
          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
=============================================================================
1vaiC1 ALA   2 HA     0.00  -0.05   0.13  -0.75   4.34     3.67
1vaiC1 ALA   2 HB3    0.00  -0.04   0.02  -0.04   1.41     1.34
1vaiC1 ALA   3 H      0.00   0.04  -0.09  -0.55   8.40     7.80
1vaiC1 ALA   3 HA     0.00   0.09   0.38  -0.75   4.34     4.05
1vaiC1 ALA   3 HB3    0.00   0.06   0.00  -0.04   1.41     1.43
1vaiC1 PRO   4 HA     0.00  -0.03   0.44  -0.51   4.44     4.34
1vaiC1 PRO   4 HB2    0.00   0.06   0.02  -0.04   2.28     2.32
1vaiC1 PRO   4 HB3    0.00   0.01   0.11  -0.04   2.02     2.10
1vaiC1 PRO   4 HG2    0.00   0.04   0.10  -0.04   2.03     2.13
1vaiC1 PRO   4 HG3    0.00   0.04   0.07  -0.04   2.03     2.10
1vaiC1 PRO   4 HD2    0.00   0.15   0.13  -0.04   3.68     3.91
1vaiC1 PRO   4 HD3    0.00   0.09   0.10  -0.04   3.65     3.80
1vaiC1 ALA   5 H      0.00   0.07   0.16  -0.55   8.40     8.08
1vaiC1 ALA   5 HA     0.00   0.17   0.35  -0.75   4.34     4.11
1vaiC1 ALA   5 HB3    0.00   0.01   0.10  -0.04   1.41     1.48