=============================================================================
          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
=============================================================================
1iauB1 ILE 402 HA     0.00  -0.09   0.23  -0.75   4.18     3.57
1iauB1 ILE 402 HB     0.00  -0.02   0.08  -0.04   1.89     1.91
1iauB1 ILE 402 HG12   0.00  -0.00   0.02  -0.04   1.49     1.46
1iauB1 ILE 402 HG13   0.00  -0.01   0.04  -0.04   1.21     1.21
1iauB1 ILE 402 HG23   0.00  -0.01  -0.20  -0.04   0.93     0.68
1iauB1 ILE 402 HD13   0.00  -0.01   0.01  -0.04   0.88     0.84
1iauB1 GLU 403 H      0.00   0.15   0.13  -0.55   8.60     8.33
1iauB1 GLU 403 HA     0.00   0.17   0.81  -0.75   4.29     4.51
1iauB1 GLU 403 HB2    0.00  -0.05   0.00  -0.04   2.09     2.00
1iauB1 GLU 403 HB3    0.00   0.09   0.01  -0.04   1.99     2.04
1iauB1 GLU 403 HG2    0.00  -0.00  -0.04  -0.04   2.34     2.26
1iauB1 GLU 403 HG3    0.00   0.08  -0.56  -0.04   2.34     1.82
1iauB1 PRO 404 HA     0.00   0.14   0.40  -0.51   4.44     4.47
1iauB1 PRO 404 HB2    0.00   0.02   0.08  -0.04   2.28     2.34
1iauB1 PRO 404 HB3    0.00   0.03   0.06  -0.04   2.02     2.08
1iauB1 PRO 404 HG2    0.00   0.03   0.06  -0.04   2.03     2.08
1iauB1 PRO 404 HG3    0.00   0.04   0.07  -0.04   2.03     2.10
1iauB1 PRO 404 HD2    0.00   0.11   0.19  -0.04   3.68     3.94
1iauB1 PRO 404 HD3    0.00   0.16   0.13  -0.04   3.65     3.90