=============================================================================
          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
=============================================================================
3iiwB1 ALA  25 HA     0.00  -0.10   0.20  -0.75   4.34     3.69
3iiwB1 ALA  25 HB3    0.00  -0.01   0.03  -0.04   1.41     1.39
3iiwB1 ARG  26 H      0.00   0.08   0.01  -0.55   8.46     8.00
3iiwB1 ARG  26 HA     0.00   0.20   0.74  -0.75   4.34     4.53
3iiwB1 ARG  26 HB2    0.00  -0.07  -0.01  -0.04   1.90     1.78
3iiwB1 ARG  26 HB3    0.00  -0.02  -0.09  -0.04   1.80     1.64
3iiwB1 ARG  26 HG2    0.00   0.02   0.06  -0.04   1.67     1.71
3iiwB1 ARG  26 HG3    0.00   0.26   0.12  -0.04   1.67     2.01
3iiwB1 ARG  26 HD2    0.00   0.01   0.11  -0.04   3.22     3.30
3iiwB1 ARG  26 HD3    0.00  -0.08   0.04  -0.04   3.22     3.14
3iiwB1 SER  28 HA     0.00  -0.07   0.35  -0.75   4.49     4.01
3iiwB1 SER  28 HB2    0.00  -0.07  -0.01  -0.04   3.95     3.83
3iiwB1 SER  28 HB3    0.00  -0.01   0.09  -0.04   3.93     3.97
3iiwB1 ALA  29 H      0.00   0.06   0.01  -0.55   8.40     7.93
3iiwB1 ALA  29 HA     0.00   0.19   0.45  -0.75   4.34     4.23
3iiwB1 ALA  29 HB3    0.00   0.01   0.06  -0.04   1.41     1.44