=============================================================================
          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
=============================================================================
1lklB1 GLU 253 HA     0.00  -0.07   0.18  -0.75   4.29     3.65
1lklB1 GLU 253 HB2    0.00  -0.03  -0.01  -0.04   2.09     2.00
1lklB1 GLU 253 HB3    0.00   0.06  -0.09  -0.04   1.99     1.92
1lklB1 GLU 253 HG2    0.00  -0.01   0.03  -0.04   2.34     2.32
1lklB1 GLU 253 HG3    0.00  -0.01   0.00  -0.04   2.34     2.29
1lklB1 GLU 254 H      0.00   0.12   0.12  -0.55   8.60     8.29
1lklB1 GLU 254 HA     0.00   0.13   0.85  -0.75   4.29     4.51
1lklB1 GLU 254 HB2    0.00  -0.02   0.08  -0.04   2.09     2.11
1lklB1 GLU 254 HB3    0.00   0.04   0.02  -0.04   1.99     2.01
1lklB1 GLU 254 HG2    0.00  -0.04  -0.11  -0.04   2.34     2.16
1lklB1 GLU 254 HG3    0.00  -0.01  -0.01  -0.04   2.34     2.28
1lklB1 GLY 255 H      0.00   0.09   0.04  -0.55   8.43     8.02
1lklB1 GLY 255 HA2    0.00   0.23   0.62  -0.51   4.01     4.35
1lklB1 GLY 255 HA3    0.00   0.06   0.15  -0.51   4.01     3.71