=============================================================================
          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
=============================================================================
2wa9K1 LEU   1 HA     0.00  -0.04   0.11  -0.75   4.35     3.67
2wa9K1 LEU   1 HB2    0.00  -0.02  -0.09  -0.04   1.64     1.49
2wa9K1 LEU   1 HB3    0.00  -0.07   0.08  -0.04   1.64     1.61
2wa9K1 LEU   1 HG     0.00  -0.01   0.01  -0.04   1.64     1.60
2wa9K1 LEU   1 HD13   0.00   0.00  -0.00  -0.04   0.93     0.89
2wa9K1 LEU   1 HD23   0.00  -0.00   0.02  -0.04   0.89     0.87
2wa9K1 LEU   2 H      0.00   0.12   0.06  -0.55   8.37     8.00
2wa9K1 LEU   2 HA     0.00   0.12   0.85  -0.75   4.35     4.57
2wa9K1 LEU   2 HB2    0.00  -0.06   0.19  -0.04   1.64     1.73
2wa9K1 LEU   2 HB3    0.00   0.09   0.01  -0.04   1.64     1.70
2wa9K1 LEU   2 HG     0.00  -0.02   0.01  -0.04   1.64     1.59
2wa9K1 LEU   2 HD13   0.00  -0.00   0.00  -0.04   0.93     0.89
2wa9K1 LEU   2 HD23   0.00   0.02   0.04  -0.04   0.89     0.91
2wa9K1 THR   3 H      0.00   0.11  -0.04  -0.55   8.28     7.80
2wa9K1 THR   3 HA     0.00   0.11  -0.20  -0.75   4.39     3.55
2wa9K1 THR   3 HB     0.00   0.03  -0.02  -0.04   4.32     4.29
2wa9K1 THR   3 HG23   0.00   0.03   0.02  -0.04   1.22     1.23