=============================================================================
          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
=============================================================================
2qlbE1 GLU 702 HA     0.00  -0.10   0.23  -0.75   4.29     3.66
2qlbE1 GLU 702 HB2    0.00  -0.03   0.03  -0.04   2.09     2.05
2qlbE1 GLU 702 HB3    0.00   0.07  -0.06  -0.04   1.99     1.96
2qlbE1 GLU 702 HG2    0.00   0.01   0.03  -0.04   2.34     2.34
2qlbE1 GLU 702 HG3    0.00  -0.02   0.06  -0.04   2.34     2.34
2qlbE1 SER 703 H      0.00   0.09   0.12  -0.55   8.46     8.12
2qlbE1 SER 703 HA     0.00   0.20   0.84  -0.75   4.49     4.78
2qlbE1 SER 703 HB2    0.00  -0.01   0.10  -0.04   3.95     4.00
2qlbE1 SER 703 HB3    0.00   0.03  -0.01  -0.04   3.93     3.91
2qlbE1 MET 704 H      0.00   0.16   0.05  -0.55   8.47     8.13
2qlbE1 MET 704 HA     0.00   0.29   0.79  -0.75   4.52     4.84
2qlbE1 MET 704 HB2    0.00   0.00   0.07  -0.04   2.15     2.18
2qlbE1 MET 704 HB3    0.00   0.02   0.05  -0.04   2.03     2.06
2qlbE1 MET 704 HG2    0.00   0.04  -0.11  -0.04   2.63     2.51
2qlbE1 MET 704 HG3    0.00  -0.03  -0.46  -0.04   2.56     2.03
2qlbE1 MET 704 HE3    0.00   0.01  -0.01  -0.04   2.10     2.07