=============================================================================
          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
=============================================================================
1gacB45 ALA   1 HA     0.00  -0.01   0.02  -0.75   4.34     3.60
1gacB45 ALA   1 HB3    0.00   0.00  -0.00  -0.04   1.41     1.37
1gacB45 LYS   3 H      0.00   0.02   0.09  -0.55   8.42     7.98
1gacB45 LYS   3 HA     0.00  -0.02   0.17  -0.75   4.32     3.72
1gacB45 LYS   3 HB2    0.00  -0.03   0.08  -0.04   1.87     1.88
1gacB45 LYS   3 HB3    0.00  -0.06   0.02  -0.04   1.79     1.71
1gacB45 LYS   3 HG2    0.00   0.00   0.08  -0.04   1.46     1.51
1gacB45 LYS   3 HG3    0.00   0.05   0.18  -0.04   1.46     1.65
1gacB45 LYS   3 HD2    0.00  -0.01   0.03  -0.04   1.69     1.67
1gacB45 LYS   3 HD3    0.00  -0.03   0.02  -0.04   1.68     1.63
1gacB45 LYS   3 HE2    0.00   0.00   0.03  -0.04   2.99     2.98
1gacB45 LYS   3 HE3    0.00   0.02   0.04  -0.04   2.99     3.01
1gacB45 ALA   4 H      0.00   0.18   0.13  -0.55   8.40     8.16
1gacB45 ALA   4 HA     0.00   0.24   0.85  -0.75   4.34     4.68
1gacB45 ALA   4 HB3    0.00  -0.01  -0.02  -0.04   1.41     1.34
1gacB45 ALA   5 H      0.00   0.14   0.06  -0.55   8.40     8.06
1gacB45 ALA   5 HA     0.00   0.14   0.29  -0.75   4.34     4.02
1gacB45 ALA   5 HB3    0.00   0.07  -0.08  -0.04   1.41     1.36