=============================================================================
          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
=============================================================================
3hqlD1 ASP  96 HA     0.00  -0.01   0.10  -0.75   4.63     3.96
3hqlD1 GLU  97 H      0.00   0.18   0.07  -0.55   8.60     8.30
3hqlD1 GLU  97 HA     0.00   0.01   0.58  -0.75   4.29     4.13
3hqlD1 VAL  98 H      0.00   0.11   0.19  -0.55   8.24     7.99
3hqlD1 VAL  98 HA     0.00   0.12   0.79  -0.75   4.13     4.28
3hqlD1 VAL  98 HB     0.00  -0.04   0.16  -0.04   2.12     2.20
3hqlD1 VAL  98 HG13   0.00  -0.01  -0.09  -0.04   0.97     0.83
3hqlD1 VAL  98 HG23   0.00   0.02   0.02  -0.04   0.95     0.95
3hqlD1 THR  99 H      0.00   0.24   0.17  -0.55   8.28     8.14
3hqlD1 THR  99 HA     0.00   0.16   0.66  -0.75   4.39     4.46
3hqlD1 THR  99 HB     0.00   0.03   0.12  -0.04   4.32     4.43
3hqlD1 THR  99 HG23   0.00   0.00  -0.23  -0.04   1.22     0.95
3hqlD1 SER 100 H      0.00   0.24   0.17  -0.55   8.46     8.32
3hqlD1 SER 100 HA     0.00   0.17   0.88  -0.75   4.49     4.79
3hqlD1 SER 100 HB2    0.00   0.02  -0.01  -0.04   3.95     3.92
3hqlD1 SER 100 HB3    0.00   0.19   0.06  -0.04   3.93     4.14
3hqlD1 THR 101 H      0.00   0.15   0.11  -0.55   8.28     8.00
3hqlD1 THR 101 HA     0.00   0.16   0.61  -0.75   4.39     4.40
3hqlD1 THR 101 HB     0.00   0.02   0.13  -0.04   4.32     4.43
3hqlD1 THR 101 HG23   0.00   0.01   0.01  -0.04   1.22     1.20
3hqlD1 THR 102 H      0.00   0.07  -0.34  -0.55   8.28     7.45
3hqlD1 THR 102 HA     0.00   0.28   0.57  -0.75   4.39     4.49
3hqlD1 THR 102 HB     0.00   0.04   0.04  -0.04   4.32     4.35
3hqlD1 THR 102 HG23   0.00   0.01  -0.13  -0.04   1.22     1.05