=============================================================================
          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
=============================================================================
1dkyC1 ARG   2 HA     0.00  -0.10   0.24  -0.75   4.34     3.72
1dkyC1 LEU   3 H      0.00   0.07   0.12  -0.55   8.37     8.01
1dkyC1 LEU   3 HA     0.00   0.16   0.79  -0.75   4.35     4.55
1dkyC1 LEU   3 HB2    0.00  -0.03  -0.02  -0.04   1.64     1.55
1dkyC1 LEU   3 HB3    0.00   0.02   0.10  -0.04   1.64     1.73
1dkyC1 LEU   3 HG     0.00  -0.02  -0.01  -0.04   1.64     1.58
1dkyC1 LEU   3 HD13   0.00  -0.01  -0.01  -0.04   0.93     0.87
1dkyC1 LEU   3 HD23   0.00   0.03  -0.15  -0.04   0.89     0.73
1dkyC1 LEU   4 H      0.00   0.20   0.20  -0.55   8.37     8.22
1dkyC1 LEU   4 HA     0.00   0.16   0.78  -0.75   4.35     4.53
1dkyC1 LEU   4 HB2    0.00   0.00  -0.03  -0.04   1.64     1.57
1dkyC1 LEU   4 HB3    0.00   0.01   0.08  -0.04   1.64     1.68
1dkyC1 LEU   4 HG     0.00  -0.01  -0.15  -0.04   1.64     1.44
1dkyC1 LEU   4 HD13   0.00  -0.00  -0.03  -0.04   0.93     0.86
1dkyC1 LEU   4 HD23   0.00   0.04  -0.17  -0.04   0.89     0.71
1dkyC1 LEU   5 H      0.00   0.17   0.05  -0.55   8.37     8.04
1dkyC1 LEU   5 HA     0.00   0.26   0.73  -0.75   4.35     4.59
1dkyC1 LEU   5 HB2    0.00   0.00   0.08  -0.04   1.64     1.68
1dkyC1 LEU   5 HB3    0.00   0.03   0.06  -0.04   1.64     1.69
1dkyC1 LEU   5 HG     0.00  -0.01  -0.16  -0.04   1.64     1.43
1dkyC1 LEU   5 HD13   0.00   0.00  -0.01  -0.04   0.93     0.88
1dkyC1 LEU   5 HD23   0.00   0.03  -0.03  -0.04   0.89     0.85