=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

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        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3d3xC1 ARG 180 HA     0.00  -0.09   0.22  -0.75   4.34     3.72
3d3xC1 ILE 181 H      0.00   0.09   0.08  -0.55   8.25     7.87
3d3xC1 ILE 181 HA     0.00   0.12   0.42  -0.75   4.18     3.97
3d3xC1 ILE 181 HB     0.00  -0.00   0.09  -0.04   1.89     1.94
3d3xC1 ILE 181 HG12   0.00  -0.02  -0.02  -0.04   1.49     1.41
3d3xC1 ILE 181 HG13   0.00   0.01  -0.26  -0.04   1.21     0.92
3d3xC1 ILE 181 HG23   0.00   0.00   0.00  -0.04   0.93     0.89
3d3xC1 ILE 181 HD13   0.00   0.01   0.09  -0.04   0.88     0.93
3d3xC1 MET 182 H      0.00   0.12  -0.26  -0.55   8.47     7.78
3d3xC1 MET 182 HA     0.00   0.22   0.41  -0.75   4.52     4.39
3d3xC1 MET 182 HB2    0.00   0.10  -0.18  -0.04   2.15     2.03
3d3xC1 MET 182 HB3    0.00  -0.04  -0.05  -0.04   2.03     1.89
3d3xC1 MET 182 HG2    0.00  -0.00   0.02  -0.04   2.63     2.61
3d3xC1 MET 182 HG3    0.00   0.03   0.02  -0.04   2.56     2.57
3d3xC1 MET 182 HE3    0.00  -0.00  -0.00  -0.04   2.10     2.05