=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

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        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1b3lB1 LYS   1 HA     0.00  -0.09   0.19  -0.75   4.32     3.67
1b3lB1 LYS   1 HB2    0.00   0.04  -0.01  -0.04   1.87     1.86
1b3lB1 LYS   1 HB3    0.00  -0.03   0.04  -0.04   1.79     1.76
1b3lB1 LYS   1 HG2    0.00  -0.03   0.01  -0.04   1.46     1.40
1b3lB1 LYS   1 HG3    0.00   0.00  -0.13  -0.04   1.46     1.29
1b3lB1 LYS   1 HD2    0.00  -0.01  -0.05  -0.04   1.69     1.59
1b3lB1 LYS   1 HD3    0.00   0.02  -0.04  -0.04   1.68     1.62
1b3lB1 LYS   1 HE2    0.00  -0.00  -0.01  -0.04   2.99     2.94
1b3lB1 LYS   1 HE3    0.00  -0.01   0.00  -0.04   2.99     2.94
1b3lB1 GLY   2 H      0.00   0.05   0.09  -0.55   8.43     8.03
1b3lB1 GLY   2 HA2    0.00   0.07   0.46  -0.51   4.01     4.02
1b3lB1 GLY   2 HA3    0.00  -0.01   0.29  -0.51   4.01     3.78
1b3lB1 LYS   3 H      0.00   0.10   0.09  -0.55   8.42     8.05
1b3lB1 LYS   3 HA     0.00   0.26   0.72  -0.75   4.32     4.54
1b3lB1 LYS   3 HB2    0.00   0.10  -0.09  -0.04   1.87     1.84
1b3lB1 LYS   3 HB3    0.00  -0.01   0.07  -0.04   1.79     1.81
1b3lB1 LYS   3 HG2    0.00  -0.03   0.05  -0.04   1.46     1.44
1b3lB1 LYS   3 HG3    0.00   0.04   0.03  -0.04   1.46     1.49
1b3lB1 LYS   3 HD2    0.00   0.03  -0.01  -0.04   1.69     1.66
1b3lB1 LYS   3 HD3    0.00  -0.01   0.01  -0.04   1.68     1.64
1b3lB1 LYS   3 HE2    0.00  -0.01   0.00  -0.04   2.99     2.94
1b3lB1 LYS   3 HE3    0.00  -0.02   0.01  -0.04   2.99     2.94