=============================================================================
          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
=============================================================================
1kdvB1 ILE 1002 HA     0.00  -0.00   0.12  -0.75   4.18     3.54
1kdvB1 ILE 1002 HB     0.00  -0.01   0.11  -0.04   1.89     1.94
1kdvB1 ILE 1002 HG12   0.00  -0.01  -0.02  -0.04   1.49     1.42
1kdvB1 ILE 1002 HG13   0.00  -0.00  -0.21  -0.04   1.21     0.95
1kdvB1 ILE 1002 HG23   0.00  -0.00   0.03  -0.04   0.93     0.92
1kdvB1 ILE 1002 HD13   0.00  -0.00  -0.02  -0.04   0.88     0.82
1kdvB1 ALA 1003 H      0.00   0.15   0.00  -0.55   8.40     8.01
1kdvB1 ALA 1003 HA     0.00   0.08   0.26  -0.75   4.34     3.93
1kdvB1 ALA 1003 HB3    0.00   0.00   0.08  -0.04   1.41     1.45