=============================================================================
          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
=============================================================================
2k1qB1 GLU 188 H      0.00   0.16   0.08  -0.55   8.60     8.30
2k1qB1 GLU 188 HA     0.00  -0.10   0.19  -0.75   4.29     3.63
2k1qB1 GLU 188 HB2    0.00  -0.03   0.04  -0.04   2.09     2.07
2k1qB1 GLU 188 HB3    0.00  -0.02   0.05  -0.04   1.99     1.98
2k1qB1 GLU 188 HG2    0.00   0.20  -0.27  -0.04   2.34     2.23
2k1qB1 GLU 188 HG3    0.00  -0.06  -0.01  -0.04   2.34     2.23
2k1qB1 LEU 189 H      0.00   0.09   0.00  -0.55   8.37     7.91
2k1qB1 LEU 189 HA     0.00   0.13   0.26  -0.75   4.35     3.99
2k1qB1 LEU 189 HB2    0.00  -0.01   0.10  -0.04   1.64     1.69
2k1qB1 LEU 189 HB3    0.00   0.04   0.07  -0.04   1.64     1.70
2k1qB1 LEU 189 HG     0.00   0.04   0.00  -0.04   1.64     1.64
2k1qB1 LEU 189 HD13   0.00   0.00  -0.04  -0.04   0.93     0.85
2k1qB1 LEU 189 HD23   0.00   0.01   0.01  -0.04   0.89     0.87