=============================================================================
          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
=============================================================================
2aocC1 ILE 402 HA     0.00   0.23   0.76  -0.75   4.18     4.42
2aocC1 ILE 402 HB     0.00  -0.00   0.08  -0.04   1.89     1.93
2aocC1 ILE 402 HG12   0.00  -0.03  -0.19  -0.04   1.49     1.23
2aocC1 ILE 402 HG13   0.00  -0.02  -0.05  -0.04   1.21     1.10
2aocC1 ILE 402 HG23   0.00   0.00   0.03  -0.04   0.93     0.93
2aocC1 ILE 402 HD13   0.00   0.06  -0.18  -0.04   0.88     0.72
2aocC1 GLN 405 HA     0.00  -0.07   0.29  -0.75   4.36     3.83
2aocC1 GLN 405 HB2    0.00   0.02  -0.04  -0.04   2.15     2.09
2aocC1 GLN 405 HB3    0.00  -0.03   0.01  -0.04   2.02     1.96
2aocC1 GLN 405 HG2    0.00   0.00  -0.03  -0.04   2.40     2.33
2aocC1 GLN 405 HG3    0.00  -0.01  -0.05  -0.04   2.39     2.29
2aocC1 GLN 405 HE21   0.00  -0.06  -0.10  -0.04   6.97     6.77
2aocC1 GLN 405 HE22   0.00   0.12  -0.08  -0.04   7.69     7.69
2aocC1 ARG 406 H      0.00   0.21   0.03  -0.55   8.46     8.14
2aocC1 ARG 406 HA     0.00   0.26   0.74  -0.75   4.34     4.58
2aocC1 ARG 406 HB2    0.00  -0.01   0.04  -0.04   1.90     1.89
2aocC1 ARG 406 HB3    0.00  -0.02   0.05  -0.04   1.80     1.80
2aocC1 ARG 406 HG2    0.00   0.04  -0.06  -0.04   1.67     1.61
2aocC1 ARG 406 HG3    0.00   0.05  -0.28  -0.04   1.67     1.40
2aocC1 ARG 406 HD2    0.00  -0.01  -0.03  -0.04   3.22     3.14
2aocC1 ARG 406 HD3    0.00  -0.03  -0.01  -0.04   3.22     3.14