=============================================================================
          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
=============================================================================
1dkyD1 ARG   2 HA     0.00  -0.09   0.21  -0.75   4.34     3.71
1dkyD1 LEU   3 H      0.00   0.07   0.09  -0.55   8.37     7.98
1dkyD1 LEU   3 HA     0.00   0.13   0.72  -0.75   4.35     4.44
1dkyD1 LEU   3 HB2    0.00  -0.04   0.02  -0.04   1.64     1.58
1dkyD1 LEU   3 HB3    0.00   0.03   0.02  -0.04   1.64     1.65
1dkyD1 LEU   3 HG     0.00  -0.02   0.03  -0.04   1.64     1.60
1dkyD1 LEU   3 HD13   0.00  -0.01  -0.01  -0.04   0.93     0.87
1dkyD1 LEU   3 HD23   0.00   0.03  -0.11  -0.04   0.89     0.77
1dkyD1 LEU   4 H      0.00   0.18   0.18  -0.55   8.37     8.18
1dkyD1 LEU   4 HA     0.00   0.11   0.82  -0.75   4.35     4.53
1dkyD1 LEU   4 HB2    0.00   0.01   0.04  -0.04   1.64     1.66
1dkyD1 LEU   4 HB3    0.00   0.02   0.02  -0.04   1.64     1.64
1dkyD1 LEU   4 HG     0.00   0.01  -0.00  -0.04   1.64     1.60
1dkyD1 LEU   4 HD13   0.00  -0.00  -0.01  -0.04   0.93     0.88
1dkyD1 LEU   4 HD23   0.00   0.02  -0.22  -0.04   0.89     0.65
1dkyD1 LEU   5 H      0.00   0.09   0.05  -0.55   8.37     7.96
1dkyD1 LEU   5 HA     0.00   0.23   0.64  -0.75   4.35     4.47
1dkyD1 LEU   5 HB2    0.00   0.01   0.08  -0.04   1.64     1.69
1dkyD1 LEU   5 HB3    0.00   0.02   0.06  -0.04   1.64     1.68
1dkyD1 LEU   5 HG     0.00   0.01  -0.12  -0.04   1.64     1.49
1dkyD1 LEU   5 HD13   0.00   0.00  -0.01  -0.04   0.93     0.88
1dkyD1 LEU   5 HD23   0.00   0.02  -0.08  -0.04   0.89     0.79