=============================================================================
          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
=============================================================================
1kyjA59 SER   1 H      0.00   0.00   0.09  -0.55   8.46     8.00
1kyjA59 SER   1 HA     0.00  -0.07   0.16  -0.75   4.49     3.82
1kyjA59 SER   1 HB2    0.00  -0.12   0.09  -0.04   3.95     3.88
1kyjA59 SER   1 HB3    0.00  -0.02   0.05  -0.04   3.93     3.92
1kyjA59 THR   2 H      0.00   0.05   0.04  -0.55   8.28     7.82
1kyjA59 THR   2 HA     0.00   0.21   0.72  -0.75   4.39     4.56
1kyjA59 THR   2 HB     0.00  -0.13   0.22  -0.04   4.32     4.37
1kyjA59 THR   2 HG23   0.00   0.02  -0.02  -0.04   1.22     1.19
1kyjA59 THR   3 H      0.00   0.13   0.15  -0.55   8.28     8.00
1kyjA59 THR   3 HA     0.00   0.18   0.77  -0.75   4.39     4.58
1kyjA59 THR   3 HB     0.00   0.04  -0.11  -0.04   4.32     4.21
1kyjA59 THR   3 HG23   0.00   0.02  -0.05  -0.04   1.22     1.15
1kyjA59 ALA   4 H      0.00   0.20   0.09  -0.55   8.40     8.14
1kyjA59 ALA   4 HA     0.00   0.08   0.67  -0.75   4.34     4.34
1kyjA59 ALA   4 HB3    0.00   0.02   0.11  -0.04   1.41     1.50
1kyjA59 VAL   5 H      0.00   0.24   0.10  -0.55   8.24     8.03
1kyjA59 VAL   5 HA     0.00   0.19   0.47  -0.75   4.13     4.03
1kyjA59 VAL   5 HB     0.00   0.07  -0.24  -0.04   2.12     1.90
1kyjA59 VAL   5 HG13   0.00   0.03  -0.10  -0.04   0.97     0.86
1kyjA59 VAL   5 HG23   0.00   0.00   0.02  -0.04   0.95     0.93