=============================================================================
          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
=============================================================================
2g58B1 ILE   2 HA     0.00  -0.09   0.15  -0.75   4.18     3.49
2g58B1 ILE   2 HB     0.00  -0.04   0.08  -0.04   1.89     1.89
2g58B1 ILE   2 HG12   0.00   0.02   0.03  -0.04   1.49     1.49
2g58B1 ILE   2 HG13   0.00  -0.03   0.04  -0.04   1.21     1.18
2g58B1 ILE   2 HG23   0.00   0.01  -0.12  -0.04   0.93     0.77
2g58B1 ILE   2 HD13   0.00  -0.01   0.02  -0.04   0.88     0.85
2g58B1 ALA   3 H      0.00   0.05  -0.04  -0.55   8.40     7.86
2g58B1 ALA   3 HA     0.00   0.14   0.24  -0.75   4.34     3.97
2g58B1 ALA   3 HB3    0.00   0.00   0.10  -0.04   1.41     1.47
2g58B1 ARG   4 H      0.00   0.06  -0.02  -0.55   8.46     7.94
2g58B1 ARG   4 HA     0.00   0.18   0.43  -0.75   4.34     4.19
2g58B1 ARG   4 HB2    0.00   0.00   0.11  -0.04   1.90     1.97
2g58B1 ARG   4 HB3    0.00  -0.13   0.13  -0.04   1.80     1.75
2g58B1 ARG   4 HG2    0.00  -0.00  -0.01  -0.04   1.67     1.61
2g58B1 ARG   4 HG3    0.00  -0.07  -0.24  -0.04   1.67     1.32
2g58B1 ARG   4 HD2    0.00  -0.01  -0.03  -0.04   3.22     3.14
2g58B1 ARG   4 HD3    0.00   0.04   0.04  -0.04   3.22     3.26
2g58B1 SER   5 H      0.00   0.13   0.07  -0.55   8.46     8.11
2g58B1 SER   5 HA     0.00   0.05   0.22  -0.75   4.49     4.01
2g58B1 SER   5 HB2    0.00  -0.13  -0.62  -0.04   3.95     3.15
2g58B1 SER   5 HB3    0.00   0.20   0.36  -0.04   3.93     4.44