=============================================================================
          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
=============================================================================
2ql9E1 ASP 702 HA     0.00  -0.09   0.22  -0.75   4.63     4.01
2ql9E1 ASP 702 HB2    0.00  -0.03  -0.00  -0.04   2.71     2.64
2ql9E1 ASP 702 HB3    0.00   0.03  -0.03  -0.04   2.70     2.66
2ql9E1 GLN 703 H      0.00   0.13   0.13  -0.55   8.47     8.19
2ql9E1 GLN 703 HA     0.00   0.20   0.90  -0.75   4.36     4.70
2ql9E1 GLN 703 HB2    0.00  -0.03   0.01  -0.04   2.15     2.10
2ql9E1 GLN 703 HB3    0.00   0.02   0.07  -0.04   2.02     2.07
2ql9E1 GLN 703 HG2    0.00   0.09  -0.13  -0.04   2.40     2.31
2ql9E1 GLN 703 HG3    0.00  -0.04  -0.18  -0.04   2.39     2.13
2ql9E1 GLN 703 HE21   0.00  -0.02  -0.02  -0.04   6.97     6.89
2ql9E1 GLN 703 HE22   0.00   0.02  -0.02  -0.04   7.69     7.65
2ql9E1 MET 704 H      0.00   0.15   0.05  -0.55   8.47     8.12
2ql9E1 MET 704 HA     0.00   0.25   0.65  -0.75   4.52     4.67
2ql9E1 MET 704 HB2    0.00   0.00   0.09  -0.04   2.15     2.20
2ql9E1 MET 704 HB3    0.00   0.02   0.06  -0.04   2.03     2.07
2ql9E1 MET 704 HG2    0.00   0.01  -0.04  -0.04   2.63     2.57
2ql9E1 MET 704 HG3    0.00   0.03  -0.25  -0.04   2.56     2.31
2ql9E1 MET 704 HE3    0.00   0.00  -0.02  -0.04   2.10     2.04