=============================================================================
          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
=============================================================================
1kyjA1 SER   1 H      0.00   0.00   0.16  -0.55   8.46     8.07
1kyjA1 SER   1 HA     0.00  -0.08   0.17  -0.75   4.49     3.82
1kyjA1 SER   1 HB2    0.00  -0.06   0.08  -0.04   3.95     3.92
1kyjA1 SER   1 HB3    0.00  -0.04   0.06  -0.04   3.93     3.91
1kyjA1 THR   2 H      0.00   0.06   0.06  -0.55   8.28     7.85
1kyjA1 THR   2 HA     0.00   0.18   0.72  -0.75   4.39     4.54
1kyjA1 THR   2 HB     0.00  -0.05   0.22  -0.04   4.32     4.45
1kyjA1 THR   2 HG23   0.00   0.00  -0.01  -0.04   1.22     1.17
1kyjA1 THR   3 H      0.00   0.14   0.18  -0.55   8.28     8.04
1kyjA1 THR   3 HA     0.00   0.13   0.81  -0.75   4.39     4.58
1kyjA1 THR   3 HB     0.00   0.05   0.02  -0.04   4.32     4.35
1kyjA1 THR   3 HG23   0.00   0.00  -0.04  -0.04   1.22     1.15
1kyjA1 ALA   4 H      0.00   0.08   0.08  -0.55   8.40     8.02
1kyjA1 ALA   4 HA     0.00   0.18   0.57  -0.75   4.34     4.34
1kyjA1 ALA   4 HB3    0.00   0.02   0.13  -0.04   1.41     1.52
1kyjA1 VAL   5 H      0.00   0.08   0.05  -0.55   8.24     7.81
1kyjA1 VAL   5 HA     0.00   0.21   0.49  -0.75   4.13     4.07
1kyjA1 VAL   5 HB     0.00   0.02   0.05  -0.04   2.12     2.15
1kyjA1 VAL   5 HG13   0.00   0.03  -0.12  -0.04   0.97     0.84
1kyjA1 VAL   5 HG23   0.00  -0.01  -0.04  -0.04   0.95     0.86