=============================================================================
          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
=============================================================================
1ppbI1 PRO   2 HA     0.00  -0.11   0.19  -0.51   4.44     4.01
1ppbI1 PRO   2 HB2    0.00  -0.00  -0.03  -0.04   2.28     2.21
1ppbI1 PRO   2 HB3    0.00  -0.03   0.05  -0.04   2.02     2.00
1ppbI1 PRO   2 HG2    0.00   0.00   0.02  -0.04   2.03     2.02
1ppbI1 PRO   2 HG3    0.00  -0.00   0.03  -0.04   2.03     2.02
1ppbI1 PRO   2 HD2    0.00   0.01   0.08  -0.04   3.68     3.73
1ppbI1 PRO   2 HD3    0.00  -0.00   0.04  -0.04   3.65     3.64
1ppbI1 ARG   3 H      0.00   0.09   0.00  -0.55   8.46     7.99
1ppbI1 ARG   3 HA     0.00   0.29   0.60  -0.75   4.34     4.48
1ppbI1 ARG   3 HB2    0.00  -0.02   0.08  -0.04   1.90     1.93
1ppbI1 ARG   3 HB3    0.00   0.02   0.08  -0.04   1.80     1.86
1ppbI1 ARG   3 HG2    0.00   0.05   0.01  -0.04   1.67     1.68
1ppbI1 ARG   3 HG3    0.00  -0.01  -0.23  -0.04   1.67     1.39
1ppbI1 ARG   3 HD2    0.00  -0.02  -0.01  -0.04   3.22     3.15
1ppbI1 ARG   3 HD3    0.00  -0.00   0.01  -0.04   3.22     3.18