=============================================================================
          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
=============================================================================
2jacB1 GLU 1000 HA     0.00  -0.00   0.06  -0.75   4.29     3.59
2jacB1 GLU 1000 HB2    0.00  -0.05  -0.51  -0.04   2.09     1.49
2jacB1 GLU 1000 HB3    0.00  -0.05  -0.68  -0.04   1.99     1.22
2jacB1 GLU 1000 HG2    0.00  -0.10 -19.52  -0.04   2.34   -17.32
2jacB1 GLU 1000 HG3    0.00  -0.07   0.90  -0.04   2.34     3.13
2jacB1 CYS 1001 HA     0.00  -0.10   0.21  -0.75   4.58     3.94
2jacB1 CYS 1001 HB2    0.00  -0.01   0.02  -0.04   2.97     2.94
2jacB1 CYS 1001 HB3    0.00   0.04  -0.04  -0.04   2.97     2.93
2jacB1 GLY 1002 H      0.00   0.01   0.01  -0.55   8.43     7.91
2jacB1 GLY 1002 HA2    0.00   0.14   0.26  -0.51   4.01     3.90
2jacB1 GLY 1002 HA3    0.00   0.00   0.20  -0.51   4.01     3.71