=============================================================================
          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
=============================================================================
1kyjA35 SER   1 H      0.00   0.00   0.11  -0.55   8.46     8.02
1kyjA35 SER   1 HA     0.00  -0.10   0.18  -0.75   4.49     3.82
1kyjA35 SER   1 HB2    0.00  -0.05   0.03  -0.04   3.95     3.89
1kyjA35 SER   1 HB3    0.00  -0.03   0.05  -0.04   3.93     3.91
1kyjA35 THR   2 H      0.00   0.04   0.03  -0.55   8.28     7.80
1kyjA35 THR   2 HA     0.00   0.22   0.73  -0.75   4.39     4.59
1kyjA35 THR   2 HB     0.00  -0.17   0.23  -0.04   4.32     4.35
1kyjA35 THR   2 HG23   0.00   0.01  -0.02  -0.04   1.22     1.17
1kyjA35 THR   3 H      0.00   0.12   0.14  -0.55   8.28     7.99
1kyjA35 THR   3 HA     0.00   0.18   0.78  -0.75   4.39     4.60
1kyjA35 THR   3 HB     0.00   0.05  -0.11  -0.04   4.32     4.21
1kyjA35 THR   3 HG23   0.00   0.03  -0.04  -0.04   1.22     1.16
1kyjA35 ALA   4 H      0.00   0.20   0.09  -0.55   8.40     8.14
1kyjA35 ALA   4 HA     0.00   0.07   0.66  -0.75   4.34     4.32
1kyjA35 ALA   4 HB3    0.00   0.02   0.10  -0.04   1.41     1.49
1kyjA35 VAL   5 H      0.00   0.24   0.10  -0.55   8.24     8.03
1kyjA35 VAL   5 HA     0.00   0.19   0.47  -0.75   4.13     4.04
1kyjA35 VAL   5 HB     0.00   0.01   0.03  -0.04   2.12     2.12
1kyjA35 VAL   5 HG13   0.00  -0.00  -0.25  -0.04   0.97     0.68
1kyjA35 VAL   5 HG23   0.00   0.02  -0.09  -0.04   0.95     0.84