=============================================================================
          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
=============================================================================
2cnnI1 ILE 902 HA     0.00  -0.09   0.21  -0.75   4.18     3.54
2cnnI1 ILE 902 HB     0.00  -0.03   0.05  -0.04   1.89     1.86
2cnnI1 ILE 902 HG12   0.00  -0.04  -0.05  -0.04   1.49     1.36
2cnnI1 ILE 902 HG13   0.00   0.23  -0.09  -0.04   1.21     1.31
2cnnI1 ILE 902 HG23   0.00  -0.01  -0.07  -0.04   0.93     0.80
2cnnI1 ILE 902 HD13   0.00  -0.02   0.04  -0.04   0.88     0.86
2cnnI1 GLU 903 H      0.00   0.07   0.12  -0.55   8.60     8.25
2cnnI1 GLU 903 HA     0.00   0.20   0.86  -0.75   4.29     4.59
2cnnI1 GLU 903 HB2    0.00  -0.03   0.03  -0.04   2.09     2.05
2cnnI1 GLU 903 HB3    0.00   0.00   0.09  -0.04   1.99     2.04
2cnnI1 GLU 903 HG2    0.00   0.10  -0.18  -0.04   2.34     2.22
2cnnI1 GLU 903 HG3    0.00  -0.02  -0.04  -0.04   2.34     2.24
2cnnI1 THR 904 H      0.00   0.20   0.05  -0.55   8.28     7.98
2cnnI1 THR 904 HA     0.00   0.31   0.88  -0.75   4.39     4.82
2cnnI1 THR 904 HB     0.00   0.07  -0.16  -0.04   4.32     4.19
2cnnI1 THR 904 HG23   0.00   0.00   0.04  -0.04   1.22     1.22