=============================================================================
          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
=============================================================================
2b6nB1 ALA   1 HA     0.00  -0.04   0.21  -0.75   4.34     3.75
2b6nB1 ALA   1 HB3    0.00  -0.01   0.01  -0.04   1.41     1.36
2b6nB1 PRO   2 HA     0.00   0.05   0.61  -0.51   4.44     4.58
2b6nB1 PRO   2 HB2    0.00   0.04  -0.02  -0.04   2.28     2.26
2b6nB1 PRO   2 HB3    0.00   0.00   0.10  -0.04   2.02     2.08
2b6nB1 PRO   2 HG2    0.00   0.01   0.07  -0.04   2.03     2.07
2b6nB1 PRO   2 HG3    0.00   0.01   0.06  -0.04   2.03     2.06
2b6nB1 PRO   2 HD2    0.00   0.07   0.18  -0.04   3.68     3.89
2b6nB1 PRO   2 HD3    0.00   0.11   0.11  -0.04   3.65     3.83
2b6nB1 THR   3 H      0.00   0.15   0.07  -0.55   8.28     7.95
2b6nB1 THR   3 HA     0.00   0.25   0.68  -0.75   4.39     4.56
2b6nB1 THR   3 HB     0.00  -0.02   0.04  -0.04   4.32     4.30
2b6nB1 THR   3 HG23   0.00   0.05  -0.21  -0.04   1.22     1.02