=============================================================================
          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
=============================================================================
1be9B1 LYS   5 HA     0.00  -0.07   0.20  -0.75   4.32     3.69
1be9B1 GLN   6 H      0.00   0.20   0.10  -0.55   8.47     8.22
1be9B1 GLN   6 HA     0.00   0.15   0.80  -0.75   4.36     4.56
1be9B1 GLN   6 HB2    0.00  -0.04   0.05  -0.04   2.15     2.12
1be9B1 GLN   6 HB3    0.00  -0.02  -0.07  -0.04   2.02     1.89
1be9B1 GLN   6 HG2    0.00   0.23  -0.06  -0.04   2.40     2.53
1be9B1 GLN   6 HG3    0.00  -0.02  -0.19  -0.04   2.39     2.14
1be9B1 GLN   6 HE21   0.00  -0.03  -0.02  -0.04   6.97     6.88
1be9B1 GLN   6 HE22   0.00   0.02  -0.04  -0.04   7.69     7.63
1be9B1 THR   7 H      0.00   0.25   0.11  -0.55   8.28     8.09
1be9B1 THR   7 HA     0.00   0.18   0.98  -0.75   4.39     4.80
1be9B1 THR   7 HB     0.00  -0.01  -0.01  -0.04   4.32     4.25
1be9B1 THR   7 HG23   0.00   0.03  -0.12  -0.04   1.22     1.09
1be9B1 SER   8 H      0.00   0.18   0.13  -0.55   8.46     8.23
1be9B1 SER   8 HA     0.00   0.09   0.73  -0.75   4.49     4.55
1be9B1 SER   8 HB2    0.00  -0.00   0.01  -0.04   3.95     3.91
1be9B1 SER   8 HB3    0.00   0.03   0.05  -0.04   3.93     3.97
1be9B1 VAL   9 H      0.00   0.13   0.07  -0.55   8.24     7.89
1be9B1 VAL   9 HA     0.00   0.26   0.74  -0.75   4.13     4.37
1be9B1 VAL   9 HB     0.00   0.02   0.03  -0.04   2.12     2.13
1be9B1 VAL   9 HG13   0.00   0.03  -0.30  -0.04   0.97     0.66
1be9B1 VAL   9 HG23   0.00   0.01   0.04  -0.04   0.95     0.96