=============================================================================
          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
=============================================================================
1lkkB1 GLU 253 H      0.00   0.06   0.09  -0.55   8.60     8.20
1lkkB1 GLU 253 HA     0.00  -0.07   0.21  -0.75   4.29     3.67
1lkkB1 GLU 253 HB2    0.00  -0.03  -0.03  -0.04   2.09     1.99
1lkkB1 GLU 253 HB3    0.00   0.04  -0.09  -0.04   1.99     1.90
1lkkB1 GLU 253 HG2    0.00  -0.01   0.03  -0.04   2.34     2.32
1lkkB1 GLU 253 HG3    0.00  -0.01  -0.00  -0.04   2.34     2.29
1lkkB1 GLU 254 H      0.00   0.17   0.13  -0.55   8.60     8.35
1lkkB1 GLU 254 HA     0.00   0.14   0.80  -0.75   4.29     4.47
1lkkB1 GLU 254 HB2    0.00  -0.03   0.03  -0.04   2.09     2.05
1lkkB1 GLU 254 HB3    0.00   0.14   0.00  -0.04   1.99     2.09
1lkkB1 GLU 254 HG2    0.00  -0.07  -0.25  -0.04   2.34     1.99
1lkkB1 GLU 254 HG3    0.00   0.00  -0.04  -0.04   2.34     2.26
1lkkB1 ILE 255 H      0.00   0.14   0.03  -0.55   8.25     7.87
1lkkB1 ILE 255 HA     0.00   0.17   0.52  -0.75   4.18     4.11
1lkkB1 ILE 255 HB     0.00   0.00   0.10  -0.04   1.89     1.95
1lkkB1 ILE 255 HG12   0.00   0.03   0.00  -0.04   1.49     1.48
1lkkB1 ILE 255 HG13   0.00  -0.03  -0.01  -0.04   1.21     1.13
1lkkB1 ILE 255 HG23   0.00   0.01   0.04  -0.04   0.93     0.94
1lkkB1 ILE 255 HD13   0.00   0.01   0.01  -0.04   0.88     0.86