=============================================================================
          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
=============================================================================
1kyjA51 SER   1 H      0.00   0.00   0.11  -0.55   8.46     8.02
1kyjA51 SER   1 HA     0.00  -0.11   0.21  -0.75   4.49     3.83
1kyjA51 SER   1 HB2    0.00  -0.01   0.03  -0.04   3.95     3.93
1kyjA51 SER   1 HB3    0.00  -0.04   0.05  -0.04   3.93     3.90
1kyjA51 THR   2 H      0.00   0.05   0.06  -0.55   8.28     7.84
1kyjA51 THR   2 HA     0.00   0.20   0.76  -0.75   4.39     4.60
1kyjA51 THR   2 HB     0.00  -0.15   0.24  -0.04   4.32     4.37
1kyjA51 THR   2 HG23   0.00   0.01  -0.01  -0.04   1.22     1.18
1kyjA51 THR   3 H      0.00   0.09   0.15  -0.55   8.28     7.97
1kyjA51 THR   3 HA     0.00   0.21   0.78  -0.75   4.39     4.63
1kyjA51 THR   3 HB     0.00  -0.02   0.01  -0.04   4.32     4.27
1kyjA51 THR   3 HG23   0.00   0.02  -0.05  -0.04   1.22     1.15
1kyjA51 ALA   4 H      0.00   0.22   0.07  -0.55   8.40     8.14
1kyjA51 ALA   4 HA     0.00   0.10   0.65  -0.75   4.34     4.33
1kyjA51 ALA   4 HB3    0.00   0.02  -0.06  -0.04   1.41     1.33
1kyjA51 VAL   5 H      0.00   0.26   0.02  -0.55   8.24     7.96
1kyjA51 VAL   5 HA     0.00   0.22   0.53  -0.75   4.13     4.13
1kyjA51 VAL   5 HB     0.00   0.00  -0.00  -0.04   2.12     2.08
1kyjA51 VAL   5 HG13   0.00   0.01   0.04  -0.04   0.97     0.98
1kyjA51 VAL   5 HG23   0.00   0.01  -0.25  -0.04   0.95     0.67