=============================================================================
          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
=============================================================================
1e9wA1 THR   2 HA     0.00  -0.00   0.02  -0.75   4.39     3.65
1e9wA1 THR   2 HB     0.00   0.04  -0.22  -0.04   4.32     4.10
1e9wA1 THR   2 HG23   0.00  -0.00  -0.07  -0.04   1.22     1.10
1e9wA1 ILE   8 HA     0.00  -0.05   0.16  -0.75   4.18     3.54
1e9wA1 ILE   8 HB     0.00  -0.02   0.07  -0.04   1.89     1.89
1e9wA1 ILE   8 HG12   0.00  -0.01   0.02  -0.04   1.49     1.46
1e9wA1 ILE   8 HG13   0.00   0.04  -0.15  -0.04   1.21     1.06
1e9wA1 ILE   8 HG23   0.00  -0.01   0.04  -0.04   0.93     0.92
1e9wA1 ILE   8 HD13   0.00  -0.01  -0.02  -0.04   0.88     0.80
1e9wA1 ALA   9 H      0.00   0.46   0.07  -0.55   8.40     8.39
1e9wA1 ALA   9 HA     0.00   0.10   0.36  -0.75   4.34     4.05
1e9wA1 ALA   9 HB3    0.00   0.02  -0.00  -0.04   1.41     1.38
1e9wA1 ALA  11 HA     0.00  -0.00   0.06  -0.75   4.34     3.65
1e9wA1 ALA  11 HB3    0.00  -0.01   0.03  -0.04   1.41     1.39