=============================================================================
          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
=============================================================================
2hpqI1 PRO   2 HA     0.00  -0.08   0.19  -0.51   4.44     4.04
2hpqI1 PRO   2 HB2    0.00  -0.02  -0.13  -0.04   2.28     2.09
2hpqI1 PRO   2 HB3    0.00  -0.01   0.04  -0.04   2.02     2.00
2hpqI1 PRO   2 HG2    0.00   0.00   0.01  -0.04   2.03     2.00
2hpqI1 PRO   2 HG3    0.00  -0.00   0.02  -0.04   2.03     2.01
2hpqI1 PRO   2 HD2    0.00   0.00   0.06  -0.04   3.68     3.71
2hpqI1 PRO   2 HD3    0.00  -0.00   0.04  -0.04   3.65     3.64
2hpqI1 ARG   3 H      0.00   0.10   0.00  -0.55   8.46     8.00
2hpqI1 ARG   3 HA     0.00   0.28   0.68  -0.75   4.34     4.55
2hpqI1 ARG   3 HB2    0.00  -0.02   0.03  -0.04   1.90     1.87
2hpqI1 ARG   3 HB3    0.00   0.02   0.06  -0.04   1.80     1.83
2hpqI1 ARG   3 HG2    0.00  -0.00  -0.00  -0.04   1.67     1.62
2hpqI1 ARG   3 HG3    0.00   0.06   0.00  -0.04   1.67     1.69
2hpqI1 ARG   3 HD2    0.00   0.07  -0.24  -0.04   3.22     3.01
2hpqI1 ARG   3 HD3    0.00  -0.03  -0.08  -0.04   3.22     3.06