=============================================================================
          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
=============================================================================
2qt5X1 GLY 1006 HA2    0.00  -0.06   0.17  -0.51   4.01     3.61
2qt5X1 GLY 1006 HA3    0.00  -0.03   0.12  -0.51   4.01     3.58
2qt5X1 THR 1007 H      0.00   0.15   0.10  -0.55   8.28     7.98
2qt5X1 THR 1007 HA     0.00   0.18   0.96  -0.75   4.39     4.78
2qt5X1 THR 1007 HB     0.00  -0.03   0.00  -0.04   4.32     4.25
2qt5X1 THR 1007 HG23   0.00   0.04  -0.03  -0.04   1.22     1.19
2qt5X1 GLU 1008 H      0.00   0.15   0.13  -0.55   8.60     8.34
2qt5X1 GLU 1008 HA     0.00   0.08   0.64  -0.75   4.29     4.25
2qt5X1 GLU 1008 HB2    0.00   0.01   0.06  -0.04   2.09     2.12
2qt5X1 GLU 1008 HB3    0.00  -0.02   0.10  -0.04   1.99     2.02
2qt5X1 GLU 1008 HG2    0.00   0.09  -0.18  -0.04   2.34     2.21
2qt5X1 GLU 1008 HG3    0.00  -0.01   0.04  -0.04   2.34     2.33
2qt5X1 VAL 1009 H      0.00   0.17   0.09  -0.55   8.24     7.95
2qt5X1 VAL 1009 HA     0.00   0.24   0.64  -0.75   4.13     4.26
2qt5X1 VAL 1009 HB     0.00   0.01   0.06  -0.04   2.12     2.15
2qt5X1 VAL 1009 HG13   0.00   0.03  -0.19  -0.04   0.97     0.76
2qt5X1 VAL 1009 HG23   0.00   0.01   0.05  -0.04   0.95     0.97