=============================================================================
          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
=============================================================================
1l1vB1 THR  18 H      0.00   0.11   0.03  -0.55   8.28     7.88
1l1vB1 THR  18 HA     0.00   0.12  -0.43  -0.75   4.39     3.32
1l1vB1 THR  18 HB     0.00  -0.01  -0.08  -0.04   4.32     4.20
1l1vB1 THR  18 HG23   0.00   0.00  -0.06  -0.04   1.22     1.12
1l1vB1 PRO  20 HA     0.00   0.16  -1.79  -0.51   4.44     2.30
1l1vB1 PRO  20 HB2    0.00  -0.03   0.01  -0.04   2.28     2.23
1l1vB1 PRO  20 HB3    0.00   0.05   0.08  -0.04   2.02     2.10
1l1vB1 PRO  20 HG2    0.00  -0.02   0.05  -0.04   2.03     2.02
1l1vB1 PRO  20 HG3    0.00  -0.01  -0.07  -0.04   2.03     1.91
1l1vB1 PRO  20 HD2    0.00  -0.03   0.14  -0.04   3.68     3.75
1l1vB1 PRO  20 HD3    0.00   0.01  -0.86  -0.04   3.65     2.76
1l1vB1 THR  23 H      0.00   0.15   0.03  -0.55   8.28     7.91
1l1vB1 THR  23 HA     0.00   0.15   0.18  -0.75   4.39     3.97
1l1vB1 THR  23 HB     0.00   0.00   0.02  -0.04   4.32     4.30
1l1vB1 THR  23 HG23   0.00   0.00  -0.04  -0.04   1.22     1.14
1l1vB1 PRO  25 HA     0.00   0.17  -2.26  -0.51   4.44     1.84
1l1vB1 PRO  25 HB2    0.00  -0.03   0.02  -0.04   2.28     2.23
1l1vB1 PRO  25 HB3    0.00   0.05   0.25  -0.04   2.02     2.28
1l1vB1 PRO  25 HG2    0.00  -0.02   0.06  -0.04   2.03     2.03
1l1vB1 PRO  25 HG3    0.00  -0.01   0.06  -0.04   2.03     2.04
1l1vB1 PRO  25 HD2    0.00  -0.03   0.07  -0.04   3.68     3.68
1l1vB1 PRO  25 HD3    0.00  -0.00  -0.10  -0.04   3.65     3.51