=============================================================================
          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
=============================================================================
3hu6C1 GLU  97 HA     0.00  -0.10   0.22  -0.75   4.29     3.66
3hu6C1 VAL  98 H      0.00   0.10   0.11  -0.55   8.24     7.90
3hu6C1 VAL  98 HA     0.00   0.14   0.80  -0.75   4.13     4.32
3hu6C1 VAL  98 HB     0.00  -0.04   0.13  -0.04   2.12     2.17
3hu6C1 VAL  98 HG13   0.00  -0.01  -0.12  -0.04   0.97     0.81
3hu6C1 VAL  98 HG23   0.00   0.00  -0.04  -0.04   0.95     0.87
3hu6C1 THR  99 H      0.00   0.26   0.20  -0.55   8.28     8.19
3hu6C1 THR  99 HA     0.00   0.15   0.70  -0.75   4.39     4.48
3hu6C1 THR  99 HB     0.00  -0.01   0.14  -0.04   4.32     4.41
3hu6C1 THR  99 HG23   0.00   0.01  -0.29  -0.04   1.22     0.89
3hu6C1 SER 100 H      0.00   0.28   0.17  -0.55   8.46     8.36
3hu6C1 SER 100 HA     0.00   0.15   0.88  -0.75   4.49     4.77
3hu6C1 SER 100 HB2    0.00   0.03  -0.05  -0.04   3.95     3.88
3hu6C1 SER 100 HB3    0.00   0.16   0.04  -0.04   3.93     4.08
3hu6C1 THR 101 H      0.00   0.11   0.15  -0.55   8.28     8.00
3hu6C1 THR 101 HA     0.00   0.14   0.52  -0.75   4.39     4.30
3hu6C1 THR 101 HB     0.00   0.02   0.09  -0.04   4.32     4.39
3hu6C1 THR 101 HG23   0.00   0.00   0.03  -0.04   1.22     1.22
3hu6C1 THR 102 H      0.00  -0.09  -0.23  -0.55   8.28     7.41
3hu6C1 THR 102 HA     0.00   0.26   0.59  -0.75   4.39     4.48
3hu6C1 THR 102 HB     0.00   0.06   0.03  -0.04   4.32     4.37
3hu6C1 THR 102 HG23   0.00  -0.00  -0.06  -0.04   1.22     1.11