=============================================================================
          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
=============================================================================
1wcyC1 ILE   1 HA     0.00  -0.02   0.18  -0.75   4.18     3.58
1wcyC1 ILE   1 HB     0.00  -0.02   0.00  -0.04   1.89     1.84
1wcyC1 ILE   1 HG12   0.00   0.00   0.01  -0.04   1.49     1.46
1wcyC1 ILE   1 HG13   0.00  -0.01   0.02  -0.04   1.21     1.18
1wcyC1 ILE   1 HG23   0.00  -0.02  -0.28  -0.04   0.93     0.59
1wcyC1 ILE   1 HD13   0.00  -0.01  -0.02  -0.04   0.88     0.81
1wcyC1 PRO   2 HA     0.00   0.10   0.56  -0.51   4.44     4.58
1wcyC1 PRO   2 HB2    0.00  -0.01   0.17  -0.04   2.28     2.40
1wcyC1 PRO   2 HB3    0.00   0.01   0.10  -0.04   2.02     2.09
1wcyC1 PRO   2 HG2    0.00   0.01   0.12  -0.04   2.03     2.12
1wcyC1 PRO   2 HG3    0.00   0.01   0.08  -0.04   2.03     2.08
1wcyC1 PRO   2 HD2    0.00   0.07   0.11  -0.04   3.68     3.82
1wcyC1 PRO   2 HD3    0.00   0.11   0.09  -0.04   3.65     3.82
1wcyC1 ILE   3 H      0.00   0.69   0.02  -0.55   8.25     8.42
1wcyC1 ILE   3 HA     0.00   0.11   0.31  -0.75   4.18     3.85
1wcyC1 ILE   3 HB     0.00   0.09  -0.29  -0.04   1.89     1.65
1wcyC1 ILE   3 HG12   0.00  -0.02   0.02  -0.04   1.49     1.45
1wcyC1 ILE   3 HG13   0.00   0.01   0.05  -0.04   1.21     1.22
1wcyC1 ILE   3 HG23   0.00   0.01  -0.14  -0.04   0.93     0.76
1wcyC1 ILE   3 HD13   0.00  -0.01  -0.02  -0.04   0.88     0.81