=============================================================================
          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
=============================================================================
2wa9J1 LEU   1 HA     0.00  -0.10   0.20  -0.75   4.35     3.70
2wa9J1 LEU   1 HB2    0.00  -0.02  -0.03  -0.04   1.64     1.55
2wa9J1 LEU   1 HB3    0.00   0.02  -0.02  -0.04   1.64     1.60
2wa9J1 LEU   1 HG     0.00  -0.01   0.03  -0.04   1.64     1.62
2wa9J1 LEU   1 HD13   0.00   0.00  -0.00  -0.04   0.93     0.88
2wa9J1 LEU   1 HD23   0.00  -0.00   0.02  -0.04   0.89     0.86
2wa9J1 LEU   2 H      0.00   0.07   0.07  -0.55   8.37     7.96
2wa9J1 LEU   2 HA     0.00  -0.00   0.39  -0.75   4.35     3.98
2wa9J1 LEU   2 HB2    0.00  -0.02   0.17  -0.04   1.64     1.74
2wa9J1 LEU   2 HB3    0.00   0.05  -0.04  -0.04   1.64     1.61
2wa9J1 LEU   2 HG     0.00  -0.01   0.05  -0.04   1.64     1.65
2wa9J1 LEU   2 HD13   0.00  -0.00   0.02  -0.04   0.93     0.91
2wa9J1 LEU   2 HD23   0.00  -0.00   0.01  -0.04   0.89     0.86
2wa9J1 THR   3 H      0.00   0.10   0.14  -0.55   8.28     7.97
2wa9J1 THR   3 HA     0.00   0.06   0.22  -0.75   4.39     3.92
2wa9J1 THR   3 HB     0.00   0.01   0.06  -0.04   4.32     4.35
2wa9J1 THR   3 HG23   0.00  -0.01   0.02  -0.04   1.22     1.19