=============================================================================
          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
=============================================================================
1ovfB1 THR  18 H      0.00   0.09   0.05  -0.55   8.28     7.87
1ovfB1 THR  18 HA     0.00   0.16  -0.53  -0.75   4.39     3.26
1ovfB1 THR  18 HB     0.00   0.00  -0.10  -0.04   4.32     4.19
1ovfB1 THR  18 HG23   0.00  -0.00  -0.04  -0.04   1.22     1.14
1ovfB1 PRO  20 HA     0.00   0.13  -1.77  -0.51   4.44     2.29
1ovfB1 PRO  20 HB2    0.00  -0.03  -0.02  -0.04   2.28     2.19
1ovfB1 PRO  20 HB3    0.00   0.05  -0.04  -0.04   2.02     2.00
1ovfB1 PRO  20 HG2    0.00  -0.02   0.06  -0.04   2.03     2.03
1ovfB1 PRO  20 HG3    0.00  -0.01  -0.07  -0.04   2.03     1.91
1ovfB1 PRO  20 HD2    0.00  -0.03   0.19  -0.04   3.68     3.81
1ovfB1 PRO  20 HD3    0.00  -0.00  -0.52  -0.04   3.65     3.09
1ovfB1 THR  23 H      0.00   0.09   0.04  -0.55   8.28     7.86
1ovfB1 THR  23 HA     0.00   0.16   0.23  -0.75   4.39     4.03
1ovfB1 THR  23 HB     0.00   0.01   0.01  -0.04   4.32     4.30
1ovfB1 THR  23 HG23   0.00  -0.00  -0.01  -0.04   1.22     1.16
1ovfB1 PRO  25 HA     0.00   0.10  -2.08  -0.51   4.44     1.95
1ovfB1 PRO  25 HB2    0.00  -0.03  -0.02  -0.04   2.28     2.19
1ovfB1 PRO  25 HB3    0.00   0.07   0.21  -0.04   2.02     2.26
1ovfB1 PRO  25 HG2    0.00  -0.02   0.06  -0.04   2.03     2.03
1ovfB1 PRO  25 HG3    0.00  -0.01   0.07  -0.04   2.03     2.05
1ovfB1 PRO  25 HD2    0.00  -0.03   0.07  -0.04   3.68     3.68
1ovfB1 PRO  25 HD3    0.00  -0.00  -0.07  -0.04   3.65     3.54