=============================================================================
          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
=============================================================================
1kyjA41 SER   1 H      0.00   0.00   0.09  -0.55   8.46     8.00
1kyjA41 SER   1 HA     0.00  -0.07   0.16  -0.75   4.49     3.82
1kyjA41 SER   1 HB2    0.00  -0.13   0.10  -0.04   3.95     3.88
1kyjA41 SER   1 HB3    0.00  -0.03   0.06  -0.04   3.93     3.92
1kyjA41 THR   2 H      0.00   0.05   0.06  -0.55   8.28     7.84
1kyjA41 THR   2 HA     0.00   0.18   0.71  -0.75   4.39     4.53
1kyjA41 THR   2 HB     0.00  -0.15   0.24  -0.04   4.32     4.36
1kyjA41 THR   2 HG23   0.00   0.01   0.00  -0.04   1.22     1.20
1kyjA41 THR   3 H      0.00   0.08   0.15  -0.55   8.28     7.95
1kyjA41 THR   3 HA     0.00   0.22   0.74  -0.75   4.39     4.60
1kyjA41 THR   3 HB     0.00  -0.04   0.04  -0.04   4.32     4.28
1kyjA41 THR   3 HG23   0.00   0.03  -0.04  -0.04   1.22     1.17
1kyjA41 ALA   4 H      0.00   0.22   0.05  -0.55   8.40     8.12
1kyjA41 ALA   4 HA     0.00   0.06   0.64  -0.75   4.34     4.29
1kyjA41 ALA   4 HB3    0.00   0.03  -0.04  -0.04   1.41     1.36
1kyjA41 VAL   5 H      0.00   0.15   0.00  -0.55   8.24     7.85
1kyjA41 VAL   5 HA     0.00   0.22   0.57  -0.75   4.13     4.16
1kyjA41 VAL   5 HB     0.00   0.05   0.06  -0.04   2.12     2.19
1kyjA41 VAL   5 HG13   0.00   0.01  -0.06  -0.04   0.97     0.88
1kyjA41 VAL   5 HG23   0.00   0.01   0.04  -0.04   0.95     0.96