=============================================================================
          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
=============================================================================
2ajbK1 PRO 803 HA     0.00  -0.07   0.07  -0.51   4.44     3.93
2ajbK1 PRO 803 HB2    0.00  -0.01   0.10  -0.04   2.28     2.33
2ajbK1 PRO 803 HB3    0.00  -0.01   0.03  -0.04   2.02     2.00
2ajbK1 PRO 803 HG2    0.00  -0.01   0.06  -0.04   2.03     2.04
2ajbK1 PRO 803 HG3    0.00  -0.01   0.01  -0.04   2.03     1.99
2ajbK1 PRO 803 HD2    0.00  -0.01  -0.06  -0.04   3.68     3.57
2ajbK1 PRO 803 HD3    0.00  -0.01  -0.04  -0.04   3.65     3.56
2ajbK1 ILE 804 H      0.00   0.26   0.00  -0.55   8.25     7.96
2ajbK1 ILE 804 HA     0.00   0.08  -0.55  -0.75   4.18     2.95
2ajbK1 ILE 804 HB     0.00   0.13   0.24  -0.04   1.89     2.22
2ajbK1 ILE 804 HG12   0.00  -0.05   0.03  -0.04   1.49     1.43
2ajbK1 ILE 804 HG13   0.00   0.07   0.06  -0.04   1.21     1.30
2ajbK1 ILE 804 HG23   0.00  -0.01   0.05  -0.04   0.93     0.93
2ajbK1 ILE 804 HD13   0.00  -0.01   0.03  -0.04   0.88     0.87