=============================================================================
          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
=============================================================================
1csyB1 THR   1 H      0.00   0.00   0.03  -0.55   8.28     7.76
1csyB1 THR   1 HA     0.00  -0.00   0.05  -0.75   4.39     3.69
1csyB1 THR   1 HB     0.00   0.00   0.03  -0.04   4.32     4.31
1csyB1 THR   1 HG23   0.00  -0.00   0.00  -0.04   1.22     1.18
1csyB1 GLU   3 H      0.00   0.03   0.07  -0.55   8.60     8.16
1csyB1 GLU   3 HA     0.00  -0.04   0.21  -0.75   4.29     3.70
1csyB1 GLU   3 HB2    0.00  -0.00  -0.01  -0.04   2.09     2.04
1csyB1 GLU   3 HB3    0.00  -0.01  -0.06  -0.04   1.99     1.88
1csyB1 GLU   3 HG2    0.00   0.00  -0.03  -0.04   2.34     2.27
1csyB1 GLU   3 HG3    0.00   0.02  -0.01  -0.04   2.34     2.31
1csyB1 THR   4 H      0.00   0.16   0.04  -0.55   8.28     7.93
1csyB1 THR   4 HA     0.00   0.16   1.11  -0.75   4.39     4.90
1csyB1 THR   4 HB     0.00   0.12   0.05  -0.04   4.32     4.45
1csyB1 THR   4 HG23   0.00  -0.00  -0.05  -0.04   1.22     1.13
1csyB1 LEU   5 H      0.00   0.19  -0.02  -0.55   8.37     8.00
1csyB1 LEU   5 HA     0.00   0.10   0.15  -0.75   4.35     3.84
1csyB1 LEU   5 HB2    0.00   0.03   0.09  -0.04   1.64     1.72
1csyB1 LEU   5 HB3    0.00   0.03   0.05  -0.04   1.64     1.68
1csyB1 LEU   5 HG     0.00  -0.00  -0.02  -0.04   1.64     1.57
1csyB1 LEU   5 HD13   0.00   0.01  -0.00  -0.04   0.93     0.90
1csyB1 LEU   5 HD23   0.00   0.01   0.02  -0.04   0.89     0.87