=============================================================================
          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
=============================================================================
1b05B1 LYS   1 HA     0.00  -0.09   0.17  -0.75   4.32     3.65
1b05B1 LYS   1 HB2    0.00   0.02   0.02  -0.04   1.87     1.87
1b05B1 LYS   1 HB3    0.00  -0.02   0.05  -0.04   1.79     1.77
1b05B1 LYS   1 HG2    0.00  -0.03   0.01  -0.04   1.46     1.41
1b05B1 LYS   1 HG3    0.00   0.01  -0.16  -0.04   1.46     1.27
1b05B1 LYS   1 HD2    0.00  -0.01  -0.04  -0.04   1.69     1.60
1b05B1 LYS   1 HD3    0.00   0.03  -0.04  -0.04   1.68     1.62
1b05B1 LYS   1 HE2    0.00  -0.00  -0.00  -0.04   2.99     2.94
1b05B1 LYS   1 HE3    0.00  -0.01   0.01  -0.04   2.99     2.95
1b05B1 CYS   2 H      0.00   0.06   0.08  -0.55   8.50     8.10
1b05B1 CYS   2 HA     0.00   0.06   0.60  -0.75   4.58     4.48
1b05B1 CYS   2 HB2    0.00   0.00   0.09  -0.04   2.97     3.02
1b05B1 CYS   2 HB3    0.00  -0.02  -0.07  -0.04   2.97     2.84
1b05B1 LYS   3 H      0.00   0.10   0.09  -0.55   8.42     8.05
1b05B1 LYS   3 HA     0.00   0.32   0.94  -0.75   4.32     4.83
1b05B1 LYS   3 HB2    0.00   0.09  -0.12  -0.04   1.87     1.80
1b05B1 LYS   3 HB3    0.00  -0.01   0.06  -0.04   1.79     1.79
1b05B1 LYS   3 HG2    0.00  -0.03   0.04  -0.04   1.46     1.43
1b05B1 LYS   3 HG3    0.00   0.05   0.02  -0.04   1.46     1.49
1b05B1 LYS   3 HD2    0.00   0.03  -0.03  -0.04   1.69     1.65
1b05B1 LYS   3 HD3    0.00  -0.02   0.00  -0.04   1.68     1.62
1b05B1 LYS   3 HE2    0.00   0.01  -0.01  -0.04   2.99     2.95
1b05B1 LYS   3 HE3    0.00  -0.01  -0.01  -0.04   2.99     2.93