=============================================================================
          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
=============================================================================
1b3lD1 LYS   1 HA     0.00  -0.09   0.16  -0.75   4.32     3.63
1b3lD1 LYS   1 HB2    0.00   0.03   0.06  -0.04   1.87     1.92
1b3lD1 LYS   1 HB3    0.00  -0.03   0.06  -0.04   1.79     1.79
1b3lD1 LYS   1 HG2    0.00  -0.03   0.03  -0.04   1.46     1.42
1b3lD1 LYS   1 HG3    0.00   0.02  -0.10  -0.04   1.46     1.34
1b3lD1 LYS   1 HD2    0.00  -0.01  -0.02  -0.04   1.69     1.62
1b3lD1 LYS   1 HD3    0.00   0.02  -0.01  -0.04   1.68     1.64
1b3lD1 LYS   1 HE2    0.00  -0.00   0.00  -0.04   2.99     2.95
1b3lD1 LYS   1 HE3    0.00  -0.01   0.02  -0.04   2.99     2.96
1b3lD1 GLY   2 H      0.00   0.06   0.08  -0.55   8.43     8.03
1b3lD1 GLY   2 HA2    0.00   0.10   0.64  -0.51   4.01     4.23
1b3lD1 GLY   2 HA3    0.00  -0.01   0.26  -0.51   4.01     3.75
1b3lD1 LYS   3 H      0.00   0.08   0.06  -0.55   8.42     8.01
1b3lD1 LYS   3 HA     0.00   0.26   0.76  -0.75   4.32     4.59
1b3lD1 LYS   3 HB2    0.00   0.10  -0.25  -0.04   1.87     1.68
1b3lD1 LYS   3 HB3    0.00  -0.01   0.03  -0.04   1.79     1.77
1b3lD1 LYS   3 HG2    0.00  -0.03   0.04  -0.04   1.46     1.43
1b3lD1 LYS   3 HG3    0.00   0.04  -0.01  -0.04   1.46     1.45
1b3lD1 LYS   3 HD2    0.00   0.03  -0.03  -0.04   1.69     1.65
1b3lD1 LYS   3 HD3    0.00  -0.02   0.00  -0.04   1.68     1.62
1b3lD1 LYS   3 HE2    0.00   0.02  -0.02  -0.04   2.99     2.94
1b3lD1 LYS   3 HE3    0.00  -0.01  -0.01  -0.04   2.99     2.93