=============================================================================
          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
=============================================================================
1gduB1 GLY   1 HA2    0.00  -0.02   0.13  -0.51   4.01     3.61
1gduB1 GLY   1 HA3    0.00  -0.05   0.12  -0.51   4.01     3.57
1gduB1 ALA   2 H      0.00   0.16   0.08  -0.55   8.40     8.09
1gduB1 ALA   2 HA     0.00   0.01   0.40  -0.75   4.34     3.99
1gduB1 ALA   2 HB3    0.00  -0.00   0.09  -0.04   1.41     1.46
1gduB1 ARG   3 H      0.00   0.10   0.10  -0.55   8.46     8.11
1gduB1 ARG   3 HA     0.00   0.17   0.45  -0.75   4.34     4.21
1gduB1 ARG   3 HB2    0.00  -0.03   0.12  -0.04   1.90     1.95
1gduB1 ARG   3 HB3    0.00  -0.01   0.07  -0.04   1.80     1.82
1gduB1 ARG   3 HG2    0.00   0.03  -0.06  -0.04   1.67     1.60
1gduB1 ARG   3 HG3    0.00   0.14  -0.06  -0.04   1.67     1.72
1gduB1 ARG   3 HD2    0.00  -0.03   0.02  -0.04   3.22     3.17
1gduB1 ARG   3 HD3    0.00  -0.03   0.01  -0.04   3.22     3.16