=============================================================================
          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
=============================================================================
2ie3I1 ARG 402 HA     0.00   0.01   0.05  -0.75   4.34     3.65
2ie3I1 ARG 402 HB2    0.00  -0.00   0.01  -0.04   1.90     1.86
2ie3I1 ARG 402 HB3    0.00  -0.01   0.01  -0.04   1.80     1.76
2ie3I1 ARG 402 HG2    0.00   0.01  -0.06  -0.04   1.67     1.59
2ie3I1 ARG 402 HG3    0.00  -0.01  -0.02  -0.04   1.67     1.60
2ie3I1 ARG 402 HD2    0.00  -0.01  -0.01  -0.04   3.22     3.16
2ie3I1 ARG 402 HD3    0.00   0.01  -0.02  -0.04   3.22     3.17
2ie3I1 LEU 407 HA     0.00  -0.01   0.03  -0.75   4.35     3.61
2ie3I1 LEU 407 HB2    0.00   0.00   0.00  -0.04   1.64     1.60
2ie3I1 LEU 407 HB3    0.00  -0.01   0.01  -0.04   1.64     1.60
2ie3I1 LEU 407 HG     0.00  -0.00   0.01  -0.04   1.64     1.61
2ie3I1 LEU 407 HD13   0.00  -0.00   0.00  -0.04   0.93     0.89
2ie3I1 LEU 407 HD23   0.00  -0.00   0.01  -0.04   0.89     0.86