=============================================================================
          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
=============================================================================
1wcyD1 ILE   1 HA     0.00  -0.02   0.18  -0.75   4.18     3.58
1wcyD1 ILE   1 HB     0.00  -0.01   0.02  -0.04   1.89     1.85
1wcyD1 ILE   1 HG12   0.00   0.00   0.01  -0.04   1.49     1.46
1wcyD1 ILE   1 HG13   0.00  -0.01   0.02  -0.04   1.21     1.18
1wcyD1 ILE   1 HG23   0.00  -0.02  -0.27  -0.04   0.93     0.60
1wcyD1 ILE   1 HD13   0.00  -0.01  -0.02  -0.04   0.88     0.82
1wcyD1 PRO   2 HA     0.00   0.09   0.56  -0.51   4.44     4.58
1wcyD1 PRO   2 HB2    0.00  -0.01   0.16  -0.04   2.28     2.39
1wcyD1 PRO   2 HB3    0.00   0.01   0.10  -0.04   2.02     2.09
1wcyD1 PRO   2 HG2    0.00   0.01   0.12  -0.04   2.03     2.12
1wcyD1 PRO   2 HG3    0.00   0.01   0.09  -0.04   2.03     2.08
1wcyD1 PRO   2 HD2    0.00   0.07   0.10  -0.04   3.68     3.81
1wcyD1 PRO   2 HD3    0.00   0.11   0.11  -0.04   3.65     3.83
1wcyD1 ILE   3 H      0.00   0.71   0.08  -0.55   8.25     8.49
1wcyD1 ILE   3 HA     0.00   0.11   0.28  -0.75   4.18     3.81
1wcyD1 ILE   3 HB     0.00   0.09  -0.25  -0.04   1.89     1.69
1wcyD1 ILE   3 HG12   0.00  -0.02   0.02  -0.04   1.49     1.45
1wcyD1 ILE   3 HG13   0.00   0.01   0.05  -0.04   1.21     1.23
1wcyD1 ILE   3 HG23   0.00   0.01  -0.13  -0.04   0.93     0.78
1wcyD1 ILE   3 HD13   0.00  -0.01  -0.02  -0.04   0.88     0.81