=============================================================================
          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
=============================================================================
1xb0L1 ALA 901 HA     0.00  -0.05   0.16  -0.75   4.34     3.69
1xb0L1 ALA 901 HB3    0.00  -0.03   0.00  -0.04   1.41     1.35
1xb0L1 VAL 902 H      0.00   0.16   0.11  -0.55   8.24     7.96
1xb0L1 VAL 902 HA     0.00   0.20   0.84  -0.75   4.13     4.42
1xb0L1 VAL 902 HB     0.00  -0.09  -0.03  -0.04   2.12     1.96
1xb0L1 VAL 902 HG13   0.00   0.02  -0.10  -0.04   0.97     0.85
1xb0L1 VAL 902 HG23   0.00   0.01  -0.12  -0.04   0.95     0.80
1xb0L1 PRO 903 HA     0.00   0.03   0.52  -0.51   4.44     4.47
1xb0L1 PRO 903 HB2    0.00   0.06  -0.01  -0.04   2.28     2.28
1xb0L1 PRO 903 HB3    0.00   0.02   0.10  -0.04   2.02     2.10
1xb0L1 PRO 903 HG2    0.00   0.01   0.10  -0.04   2.03     2.10
1xb0L1 PRO 903 HG3    0.00   0.04   0.08  -0.04   2.03     2.11
1xb0L1 PRO 903 HD2    0.00   0.11   0.25  -0.04   3.68     4.00
1xb0L1 PRO 903 HD3    0.00   0.15   0.12  -0.04   3.65     3.87
1xb0L1 ILE 904 H      0.00   0.11   0.09  -0.55   8.25     7.90
1xb0L1 ILE 904 HA     0.00   0.17   0.29  -0.75   4.18     3.88
1xb0L1 ILE 904 HB     0.00  -0.01   0.10  -0.04   1.89     1.94
1xb0L1 ILE 904 HG12   0.00   0.05   0.01  -0.04   1.49     1.52
1xb0L1 ILE 904 HG13   0.00  -0.02   0.10  -0.04   1.21     1.24
1xb0L1 ILE 904 HG23   0.00   0.01   0.04  -0.04   0.93     0.94
1xb0L1 ILE 904 HD13   0.00  -0.00   0.03  -0.04   0.88     0.87