=============================================================================
          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
=============================================================================
2o40I1 THR   1 HA     0.00  -0.03   0.15  -0.75   4.39     3.76
2o40I1 THR   1 HB     0.00  -0.01   0.06  -0.04   4.32     4.33
2o40I1 THR   1 HG23   0.00  -0.00   0.03  -0.04   1.22     1.20
2o40I1 ILE   2 H      0.00   0.26   0.02  -0.55   8.25     7.97
2o40I1 ILE   2 HA     0.00   0.25   0.82  -0.75   4.18     4.50
2o40I1 ILE   2 HB     0.00  -0.00   0.08  -0.04   1.89     1.93
2o40I1 ILE   2 HG12   0.00  -0.03  -0.24  -0.04   1.49     1.19
2o40I1 ILE   2 HG13   0.00  -0.02  -0.05  -0.04   1.21     1.09
2o40I1 ILE   2 HG23   0.00   0.00   0.03  -0.04   0.93     0.93
2o40I1 ILE   2 HD13   0.00   0.07  -0.13  -0.04   0.88     0.77
2o40I1 GLN   5 HA     0.00   0.01   0.09  -0.75   4.36     3.70
2o40I1 GLN   5 HB2    0.00   0.02  -0.07  -0.04   2.15     2.06
2o40I1 GLN   5 HB3    0.00  -0.01   0.01  -0.04   2.02     1.98
2o40I1 GLN   5 HG2    0.00   0.00   0.00  -0.04   2.40     2.36
2o40I1 GLN   5 HG3    0.00  -0.00  -0.02  -0.04   2.39     2.33
2o40I1 GLN   5 HE21   0.00  -0.01   0.00  -0.04   6.97     6.92
2o40I1 GLN   5 HE22   0.00   0.00   0.00  -0.04   7.69     7.65