=============================================================================
          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
=============================================================================
1qtnC1 ILE 501 HA     0.00  -0.09   0.20  -0.75   4.18     3.54
1qtnC1 ILE 501 HB     0.00  -0.03   0.05  -0.04   1.89     1.88
1qtnC1 ILE 501 HG12   0.00   0.11   0.04  -0.04   1.49     1.60
1qtnC1 ILE 501 HG13   0.00  -0.03   0.06  -0.04   1.21     1.20
1qtnC1 ILE 501 HG23   0.00  -0.01  -0.13  -0.04   0.93     0.75
1qtnC1 ILE 501 HD13   0.00  -0.01  -0.01  -0.04   0.88     0.81
1qtnC1 GLU 502 H      0.00   0.13   0.14  -0.55   8.60     8.32
1qtnC1 GLU 502 HA     0.00   0.19   0.85  -0.75   4.29     4.57
1qtnC1 GLU 502 HB2    0.00  -0.04   0.02  -0.04   2.09     2.03
1qtnC1 GLU 502 HB3    0.00   0.02   0.08  -0.04   1.99     2.05
1qtnC1 GLU 502 HG2    0.00   0.09  -0.08  -0.04   2.34     2.31
1qtnC1 GLU 502 HG3    0.00  -0.03  -0.28  -0.04   2.34     1.99
1qtnC1 THR 503 H      0.00   0.18   0.04  -0.55   8.28     7.95
1qtnC1 THR 503 HA     0.00   0.28   0.76  -0.75   4.39     4.67
1qtnC1 THR 503 HB     0.00   0.02   0.06  -0.04   4.32     4.36
1qtnC1 THR 503 HG23   0.00   0.02  -0.11  -0.04   1.22     1.09