=============================================================================
          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
=============================================================================
1kyjA10 SER   1 H      0.00   0.00   0.15  -0.55   8.46     8.06
1kyjA10 SER   1 HA     0.00  -0.10   0.20  -0.75   4.49     3.84
1kyjA10 SER   1 HB2    0.00  -0.00   0.04  -0.04   3.95     3.95
1kyjA10 SER   1 HB3    0.00  -0.04   0.05  -0.04   3.93     3.90
1kyjA10 THR   2 H      0.00   0.07   0.07  -0.55   8.28     7.88
1kyjA10 THR   2 HA     0.00   0.17   0.74  -0.75   4.39     4.55
1kyjA10 THR   2 HB     0.00  -0.04   0.22  -0.04   4.32     4.46
1kyjA10 THR   2 HG23   0.00   0.01   0.00  -0.04   1.22     1.20
1kyjA10 THR   3 H      0.00   0.10   0.16  -0.55   8.28     8.00
1kyjA10 THR   3 HA     0.00   0.23   0.84  -0.75   4.39     4.70
1kyjA10 THR   3 HB     0.00  -0.01   0.04  -0.04   4.32     4.30
1kyjA10 THR   3 HG23   0.00   0.02  -0.11  -0.04   1.22     1.09
1kyjA10 ALA   4 H      0.00   0.22   0.08  -0.55   8.40     8.15
1kyjA10 ALA   4 HA     0.00   0.09   0.62  -0.75   4.34     4.30
1kyjA10 ALA   4 HB3    0.00   0.02  -0.06  -0.04   1.41     1.33
1kyjA10 VAL   5 H      0.00   0.28   0.02  -0.55   8.24     7.99
1kyjA10 VAL   5 HA     0.00   0.22   0.52  -0.75   4.13     4.12
1kyjA10 VAL   5 HB     0.00   0.05  -0.20  -0.04   2.12     1.93
1kyjA10 VAL   5 HG13   0.00   0.00  -0.02  -0.04   0.97     0.91
1kyjA10 VAL   5 HG23   0.00   0.01   0.04  -0.04   0.95     0.96