=============================================================================
          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
=============================================================================
1gdnB1 GLY   1 HA2    0.00  -0.01   0.12  -0.51   4.01     3.61
1gdnB1 GLY   1 HA3    0.00  -0.04   0.15  -0.51   4.01     3.60
1gdnB1 ALA   2 H      0.00   0.18   0.08  -0.55   8.40     8.11
1gdnB1 ALA   2 HA     0.00  -0.02   0.40  -0.75   4.34     3.97
1gdnB1 ALA   2 HB3    0.00  -0.01   0.07  -0.04   1.41     1.43
1gdnB1 LYS   3 H      0.00   0.09   0.09  -0.55   8.42     8.05
1gdnB1 LYS   3 HA     0.00   0.24   0.53  -0.75   4.32     4.34
1gdnB1 LYS   3 HB2    0.00  -0.02   0.10  -0.04   1.87     1.91
1gdnB1 LYS   3 HB3    0.00  -0.00   0.07  -0.04   1.79     1.81
1gdnB1 LYS   3 HG2    0.00   0.01  -0.05  -0.04   1.46     1.38
1gdnB1 LYS   3 HG3    0.00   0.14  -0.17  -0.04   1.46     1.39
1gdnB1 LYS   3 HD2    0.00  -0.01   0.01  -0.04   1.69     1.65
1gdnB1 LYS   3 HD3    0.00  -0.04   0.01  -0.04   1.68     1.61
1gdnB1 LYS   3 HE2    0.00  -0.00  -0.02  -0.04   2.99     2.92
1gdnB1 LYS   3 HE3    0.00   0.08  -0.01  -0.04   2.99     3.02