=============================================================================
          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
=============================================================================
2wa9I1 LEU   1 HA     0.00  -0.06   0.14  -0.75   4.35     3.68
2wa9I1 LEU   1 HB2    0.00  -0.01  -0.06  -0.04   1.64     1.54
2wa9I1 LEU   1 HB3    0.00  -0.03   0.11  -0.04   1.64     1.68
2wa9I1 LEU   1 HG     0.00  -0.01   0.02  -0.04   1.64     1.61
2wa9I1 LEU   1 HD13   0.00  -0.00   0.01  -0.04   0.93     0.90
2wa9I1 LEU   1 HD23   0.00  -0.00   0.03  -0.04   0.89     0.88
2wa9I1 LEU   2 H      0.00   0.10   0.11  -0.55   8.37     8.03
2wa9I1 LEU   2 HA     0.00   0.17   0.81  -0.75   4.35     4.58
2wa9I1 LEU   2 HB2    0.00  -0.02   0.11  -0.04   1.64     1.68
2wa9I1 LEU   2 HB3    0.00  -0.00  -0.04  -0.04   1.64     1.56
2wa9I1 LEU   2 HG     0.00  -0.01  -0.04  -0.04   1.64     1.55
2wa9I1 LEU   2 HD13   0.00  -0.00  -0.01  -0.04   0.93     0.88
2wa9I1 LEU   2 HD23   0.00   0.03   0.01  -0.04   0.89     0.89
2wa9I1 THR   3 H      0.00   0.15   0.02  -0.55   8.28     7.90
2wa9I1 THR   3 HA     0.00   0.16   0.14  -0.75   4.39     3.94
2wa9I1 THR   3 HB     0.00   0.03   0.03  -0.04   4.32     4.34
2wa9I1 THR   3 HG23   0.00   0.00   0.04  -0.04   1.22     1.22