=============================================================================
          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
=============================================================================
1kyjA37 SER   1 H      0.00   0.00   0.10  -0.55   8.46     8.01
1kyjA37 SER   1 HA     0.00  -0.09   0.17  -0.75   4.49     3.82
1kyjA37 SER   1 HB2    0.00  -0.10   0.05  -0.04   3.95     3.85
1kyjA37 SER   1 HB3    0.00  -0.03   0.04  -0.04   3.93     3.91
1kyjA37 THR   2 H      0.00   0.04   0.02  -0.55   8.28     7.79
1kyjA37 THR   2 HA     0.00   0.21   0.71  -0.75   4.39     4.55
1kyjA37 THR   2 HB     0.00  -0.16   0.23  -0.04   4.32     4.35
1kyjA37 THR   2 HG23   0.00   0.02  -0.01  -0.04   1.22     1.19
1kyjA37 THR   3 H      0.00   0.13   0.14  -0.55   8.28     8.00
1kyjA37 THR   3 HA     0.00   0.19   0.81  -0.75   4.39     4.63
1kyjA37 THR   3 HB     0.00   0.05  -0.11  -0.04   4.32     4.22
1kyjA37 THR   3 HG23   0.00   0.02  -0.04  -0.04   1.22     1.16
1kyjA37 ALA   4 H      0.00   0.20   0.09  -0.55   8.40     8.15
1kyjA37 ALA   4 HA     0.00   0.07   0.66  -0.75   4.34     4.32
1kyjA37 ALA   4 HB3    0.00   0.02   0.09  -0.04   1.41     1.49
1kyjA37 VAL   5 H      0.00   0.23   0.10  -0.55   8.24     8.02
1kyjA37 VAL   5 HA     0.00   0.19   0.48  -0.75   4.13     4.04
1kyjA37 VAL   5 HB     0.00   0.02   0.03  -0.04   2.12     2.12
1kyjA37 VAL   5 HG13   0.00  -0.00  -0.30  -0.04   0.97     0.63
1kyjA37 VAL   5 HG23   0.00   0.03  -0.06  -0.04   0.95     0.87