=============================================================================
          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
=============================================================================
1kyjA54 SER   1 H      0.00   0.00   0.10  -0.55   8.46     8.01
1kyjA54 SER   1 HA     0.00  -0.08   0.16  -0.75   4.49     3.82
1kyjA54 SER   1 HB2    0.00  -0.10   0.07  -0.04   3.95     3.88
1kyjA54 SER   1 HB3    0.00  -0.03   0.05  -0.04   3.93     3.91
1kyjA54 THR   2 H      0.00   0.05   0.03  -0.55   8.28     7.81
1kyjA54 THR   2 HA     0.00   0.21   0.71  -0.75   4.39     4.56
1kyjA54 THR   2 HB     0.00  -0.14   0.22  -0.04   4.32     4.36
1kyjA54 THR   2 HG23   0.00   0.01  -0.03  -0.04   1.22     1.16
1kyjA54 THR   3 H      0.00   0.13   0.14  -0.55   8.28     8.00
1kyjA54 THR   3 HA     0.00   0.17   0.77  -0.75   4.39     4.58
1kyjA54 THR   3 HB     0.00   0.03  -0.12  -0.04   4.32     4.19
1kyjA54 THR   3 HG23   0.00   0.02  -0.05  -0.04   1.22     1.15
1kyjA54 ALA   4 H      0.00   0.19   0.09  -0.55   8.40     8.13
1kyjA54 ALA   4 HA     0.00   0.12   0.69  -0.75   4.34     4.40
1kyjA54 ALA   4 HB3    0.00   0.02   0.10  -0.04   1.41     1.49
1kyjA54 VAL   5 H      0.00   0.29   0.09  -0.55   8.24     8.06
1kyjA54 VAL   5 HA     0.00   0.20   0.51  -0.75   4.13     4.09
1kyjA54 VAL   5 HB     0.00   0.02   0.08  -0.04   2.12     2.18
1kyjA54 VAL   5 HG13   0.00   0.01   0.03  -0.04   0.97     0.96
1kyjA54 VAL   5 HG23   0.00   0.03  -0.13  -0.04   0.95     0.81