=============================================================================
          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
=============================================================================
1gacB18 ALA   1 HA     0.00  -0.00   0.03  -0.75   4.34     3.61
1gacB18 ALA   1 HB3    0.00  -0.00   0.01  -0.04   1.41     1.38
1gacB18 LYS   3 H      0.00   0.05   0.08  -0.55   8.42     8.00
1gacB18 LYS   3 HA     0.00  -0.06   0.19  -0.75   4.32     3.70
1gacB18 LYS   3 HB2    0.00  -0.01   0.05  -0.04   1.87     1.87
1gacB18 LYS   3 HB3    0.00  -0.02   0.01  -0.04   1.79     1.74
1gacB18 LYS   3 HG2    0.00  -0.01   0.06  -0.04   1.46     1.47
1gacB18 LYS   3 HG3    0.00   0.01   0.06  -0.04   1.46     1.49
1gacB18 LYS   3 HD2    0.00  -0.01   0.01  -0.04   1.69     1.66
1gacB18 LYS   3 HD3    0.00  -0.00   0.02  -0.04   1.68     1.65
1gacB18 LYS   3 HE2    0.00   0.00   0.02  -0.04   2.99     2.97
1gacB18 LYS   3 HE3    0.00   0.00   0.01  -0.04   2.99     2.96
1gacB18 ALA   4 H      0.00   0.20   0.09  -0.55   8.40     8.14
1gacB18 ALA   4 HA     0.00   0.18   0.84  -0.75   4.34     4.61
1gacB18 ALA   4 HB3    0.00   0.01  -0.03  -0.04   1.41     1.36
1gacB18 ALA   5 H      0.00   0.24   0.03  -0.55   8.40     8.12
1gacB18 ALA   5 HA     0.00   0.29   0.88  -0.75   4.34     4.75
1gacB18 ALA   5 HB3    0.00   0.03  -0.02  -0.04   1.41     1.38