=============================================================================
          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
=============================================================================
2ajbL1 PRO 803 HA     0.00  -0.07   0.08  -0.51   4.44     3.94
2ajbL1 PRO 803 HB2    0.00  -0.01   0.10  -0.04   2.28     2.33
2ajbL1 PRO 803 HB3    0.00  -0.01   0.02  -0.04   2.02     1.99
2ajbL1 PRO 803 HG2    0.00  -0.01   0.07  -0.04   2.03     2.05
2ajbL1 PRO 803 HG3    0.00  -0.01   0.01  -0.04   2.03     1.99
2ajbL1 PRO 803 HD2    0.00  -0.01  -0.07  -0.04   3.68     3.56
2ajbL1 PRO 803 HD3    0.00  -0.01  -0.05  -0.04   3.65     3.56
2ajbL1 ILE 804 H      0.00   0.25   0.00  -0.55   8.25     7.95
2ajbL1 ILE 804 HA     0.00   0.07  -0.52  -0.75   4.18     2.98
2ajbL1 ILE 804 HB     0.00   0.19   0.30  -0.04   1.89     2.34
2ajbL1 ILE 804 HG12   0.00  -0.05   0.03  -0.04   1.49     1.44
2ajbL1 ILE 804 HG13   0.00   0.03   0.04  -0.04   1.21     1.25
2ajbL1 ILE 804 HG23   0.00  -0.01   0.04  -0.04   0.93     0.92
2ajbL1 ILE 804 HD13   0.00  -0.01   0.03  -0.04   0.88     0.87