=============================================================================
          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
=============================================================================
1b4hB1 LYS   1 HA     0.00  -0.02   0.04  -0.75   4.32     3.59
1b4hB1 LYS   1 HB2    0.00   0.01   0.02  -0.04   1.87     1.86
1b4hB1 LYS   1 HB3    0.00  -0.03   0.01  -0.04   1.79     1.74
1b4hB1 LYS   1 HG2    0.00  -0.02   0.00  -0.04   1.46     1.41
1b4hB1 LYS   1 HG3    0.00   0.04  -0.05  -0.04   1.46     1.41
1b4hB1 LYS   1 HD2    0.00  -0.00  -0.02  -0.04   1.69     1.63
1b4hB1 LYS   1 HD3    0.00   0.00  -0.01  -0.04   1.68     1.63
1b4hB1 LYS   1 HE2    0.00  -0.01  -0.00  -0.04   2.99     2.94
1b4hB1 LYS   1 HE3    0.00  -0.00   0.00  -0.04   2.99     2.95
1b4hB1 LYS   3 HA     0.00  -0.03   0.02  -0.75   4.32     3.55
1b4hB1 LYS   3 HB2    0.00   0.08  -0.11  -0.04   1.87     1.79
1b4hB1 LYS   3 HB3    0.00  -0.01   0.06  -0.04   1.79     1.80
1b4hB1 LYS   3 HG2    0.00  -0.02  -0.00  -0.04   1.46     1.39
1b4hB1 LYS   3 HG3    0.00  -0.01  -0.05  -0.04   1.46     1.36
1b4hB1 LYS   3 HD2    0.00   0.03  -0.01  -0.04   1.69     1.67
1b4hB1 LYS   3 HD3    0.00  -0.02   0.00  -0.04   1.68     1.62
1b4hB1 LYS   3 HE2    0.00   0.01  -0.02  -0.04   2.99     2.93
1b4hB1 LYS   3 HE3    0.00  -0.00  -0.01  -0.04   2.99     2.94