=============================================================================
          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
=============================================================================
1kyjA11 SER   1 H      0.00   0.00   0.10  -0.55   8.46     8.02
1kyjA11 SER   1 HA     0.00  -0.11   0.21  -0.75   4.49     3.83
1kyjA11 SER   1 HB2    0.00   0.04  -0.00  -0.04   3.95     3.95
1kyjA11 SER   1 HB3    0.00  -0.05   0.05  -0.04   3.93     3.90
1kyjA11 THR   2 H      0.00   0.05   0.06  -0.55   8.28     7.85
1kyjA11 THR   2 HA     0.00   0.19   0.74  -0.75   4.39     4.56
1kyjA11 THR   2 HB     0.00  -0.13   0.24  -0.04   4.32     4.39
1kyjA11 THR   2 HG23   0.00   0.01   0.00  -0.04   1.22     1.19
1kyjA11 THR   3 H      0.00   0.08   0.16  -0.55   8.28     7.97
1kyjA11 THR   3 HA     0.00   0.19   0.76  -0.75   4.39     4.58
1kyjA11 THR   3 HB     0.00   0.04   0.13  -0.04   4.32     4.45
1kyjA11 THR   3 HG23   0.00   0.01  -0.02  -0.04   1.22     1.18
1kyjA11 ALA   4 H      0.00   0.17   0.10  -0.55   8.40     8.13
1kyjA11 ALA   4 HA     0.00   0.15   0.57  -0.75   4.34     4.30
1kyjA11 ALA   4 HB3    0.00   0.04  -0.04  -0.04   1.41     1.37
1kyjA11 VAL   5 H      0.00   0.17   0.05  -0.55   8.24     7.91
1kyjA11 VAL   5 HA     0.00   0.22   0.56  -0.75   4.13     4.17
1kyjA11 VAL   5 HB     0.00   0.01   0.09  -0.04   2.12     2.19
1kyjA11 VAL   5 HG13   0.00   0.02   0.04  -0.04   0.97     0.99
1kyjA11 VAL   5 HG23   0.00   0.01  -0.03  -0.04   0.95     0.90