=============================================================================
          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
=============================================================================
1oxqF1 ALA   1 HA     0.00  -0.06   0.18  -0.75   4.34     3.71
1oxqF1 ALA   1 HB3    0.00  -0.02  -0.01  -0.04   1.41     1.34
1oxqF1 VAL   2 H      0.00   0.22   0.12  -0.55   8.24     8.03
1oxqF1 VAL   2 HA     0.00   0.15   0.75  -0.75   4.13     4.28
1oxqF1 VAL   2 HB     0.00   0.03   0.08  -0.04   2.12     2.19
1oxqF1 VAL   2 HG13   0.00  -0.00  -0.20  -0.04   0.97     0.72
1oxqF1 VAL   2 HG23   0.00   0.00  -0.05  -0.04   0.95     0.86
1oxqF1 PRO   3 HA     0.00   0.02   0.53  -0.51   4.44     4.48
1oxqF1 PRO   3 HB2    0.00  -0.00   0.01  -0.04   2.28     2.25
1oxqF1 PRO   3 HB3    0.00   0.04   0.09  -0.04   2.02     2.12
1oxqF1 PRO   3 HG2    0.00   0.03   0.07  -0.04   2.03     2.10
1oxqF1 PRO   3 HG3    0.00   0.04   0.06  -0.04   2.03     2.10
1oxqF1 PRO   3 HD2    0.00   0.09   0.20  -0.04   3.68     3.93
1oxqF1 PRO   3 HD3    0.00   0.18   0.17  -0.04   3.65     3.96
1oxqF1 ILE   4 H      0.00   0.13   0.09  -0.55   8.25     7.92
1oxqF1 ILE   4 HA     0.00   0.19   0.51  -0.75   4.18     4.12
1oxqF1 ILE   4 HB     0.00  -0.01   0.10  -0.04   1.89     1.93
1oxqF1 ILE   4 HG12   0.00   0.04   0.02  -0.04   1.49     1.51
1oxqF1 ILE   4 HG13   0.00   0.00   0.05  -0.04   1.21     1.22
1oxqF1 ILE   4 HG23   0.00   0.01   0.04  -0.04   0.93     0.94
1oxqF1 ILE   4 HD13   0.00  -0.00   0.03  -0.04   0.88     0.86