=============================================================================
          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
=============================================================================
1kyjA13 SER   1 H      0.00   0.00   0.09  -0.55   8.46     8.00
1kyjA13 SER   1 HA     0.00  -0.08   0.16  -0.75   4.49     3.82
1kyjA13 SER   1 HB2    0.00  -0.10   0.11  -0.04   3.95     3.92
1kyjA13 SER   1 HB3    0.00  -0.03   0.06  -0.04   3.93     3.92
1kyjA13 THR   2 H      0.00   0.06   0.08  -0.55   8.28     7.86
1kyjA13 THR   2 HA     0.00   0.18   0.74  -0.75   4.39     4.56
1kyjA13 THR   2 HB     0.00  -0.07   0.22  -0.04   4.32     4.43
1kyjA13 THR   2 HG23   0.00   0.02  -0.01  -0.04   1.22     1.19
1kyjA13 THR   3 H      0.00   0.09   0.15  -0.55   8.28     7.97
1kyjA13 THR   3 HA     0.00   0.22   0.79  -0.75   4.39     4.64
1kyjA13 THR   3 HB     0.00  -0.04   0.04  -0.04   4.32     4.28
1kyjA13 THR   3 HG23   0.00   0.02  -0.06  -0.04   1.22     1.14
1kyjA13 ALA   4 H      0.00   0.21   0.05  -0.55   8.40     8.12
1kyjA13 ALA   4 HA     0.00   0.09   0.64  -0.75   4.34     4.32
1kyjA13 ALA   4 HB3    0.00   0.01  -0.05  -0.04   1.41     1.33
1kyjA13 VAL   5 H      0.00   0.26   0.01  -0.55   8.24     7.96
1kyjA13 VAL   5 HA     0.00   0.22   0.53  -0.75   4.13     4.12
1kyjA13 VAL   5 HB     0.00   0.03   0.05  -0.04   2.12     2.17
1kyjA13 VAL   5 HG13   0.00   0.01  -0.08  -0.04   0.97     0.85
1kyjA13 VAL   5 HG23   0.00  -0.01  -0.09  -0.04   0.95     0.81