=============================================================================
          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
=============================================================================
1a5iI1 GLU   1 HA     0.00  -0.12   0.21  -0.75   4.29     3.63
1a5iI1 GLU   1 HB2    0.00   0.03  -0.01  -0.04   2.09     2.07
1a5iI1 GLU   1 HB3    0.00  -0.01   0.04  -0.04   1.99     1.98
1a5iI1 GLU   1 HG2    0.00  -0.02   0.03  -0.04   2.34     2.31
1a5iI1 GLU   1 HG3    0.00  -0.02   0.04  -0.04   2.34     2.32
1a5iI1 GLY   2 H      0.00   0.02   0.09  -0.55   8.43     7.99
1a5iI1 GLY   2 HA2    0.00   0.07   0.49  -0.51   4.01     4.07
1a5iI1 GLY   2 HA3    0.00  -0.03   0.33  -0.51   4.01     3.80
1a5iI1 ARG   3 H      0.00   0.09   0.07  -0.55   8.46     8.07
1a5iI1 ARG   3 HA     0.00   0.23   0.60  -0.75   4.34     4.42
1a5iI1 ARG   3 HB2    0.00  -0.02   0.08  -0.04   1.90     1.91
1a5iI1 ARG   3 HB3    0.00  -0.01   0.06  -0.04   1.80     1.81
1a5iI1 ARG   3 HG2    0.00  -0.00  -0.04  -0.04   1.67     1.58
1a5iI1 ARG   3 HG3    0.00   0.17  -0.33  -0.04   1.67     1.46
1a5iI1 ARG   3 HD2    0.00  -0.03  -0.00  -0.04   3.22     3.14
1a5iI1 ARG   3 HD3    0.00  -0.04  -0.00  -0.04   3.22     3.14