=============================================================================
          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
=============================================================================
5er1I1 VAL   2 HA     0.00  -0.10   0.20  -0.75   4.13     3.48
5er1I1 VAL   2 HB     0.00  -0.03   0.12  -0.04   2.12     2.17
5er1I1 VAL   2 HG13   0.00   0.00  -0.18  -0.04   0.97     0.75
5er1I1 VAL   2 HG23   0.00  -0.01   0.02  -0.04   0.95     0.93
5er1I1 ILE   3 H      0.00   0.07   0.00  -0.55   8.25     7.77
5er1I1 ILE   3 HA     0.00   0.12   0.27  -0.75   4.18     3.82
5er1I1 ILE   3 HB     0.00   0.02   0.07  -0.04   1.89     1.94
5er1I1 ILE   3 HG12   0.00  -0.01   0.03  -0.04   1.49     1.47
5er1I1 ILE   3 HG13   0.00   0.03   0.05  -0.04   1.21     1.25
5er1I1 ILE   3 HG23   0.00   0.00   0.04  -0.04   0.93     0.93
5er1I1 ILE   3 HD13   0.00  -0.00   0.02  -0.04   0.88     0.85