=============================================================================
          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
=============================================================================
1gacB14 ALA   1 HA     0.00  -0.00   0.03  -0.75   4.34     3.62
1gacB14 ALA   1 HB3    0.00  -0.00   0.01  -0.04   1.41     1.38
1gacB14 LYS   3 H      0.00   0.06   0.09  -0.55   8.42     8.01
1gacB14 LYS   3 HA     0.00  -0.06   0.24  -0.75   4.32     3.75
1gacB14 LYS   3 HB2    0.00  -0.02   0.06  -0.04   1.87     1.87
1gacB14 LYS   3 HB3    0.00  -0.02  -0.01  -0.04   1.79     1.71
1gacB14 LYS   3 HG2    0.00   0.01   0.07  -0.04   1.46     1.50
1gacB14 LYS   3 HG3    0.00  -0.01   0.04  -0.04   1.46     1.45
1gacB14 LYS   3 HD2    0.00  -0.00   0.03  -0.04   1.69     1.67
1gacB14 LYS   3 HD3    0.00  -0.01   0.02  -0.04   1.68     1.65
1gacB14 LYS   3 HE2    0.00  -0.08   0.12  -0.04   2.99     2.98
1gacB14 LYS   3 HE3    0.00   0.02   0.06  -0.04   2.99     3.03
1gacB14 ALA   4 H      0.00   0.18   0.15  -0.55   8.40     8.18
1gacB14 ALA   4 HA     0.00   0.22   0.81  -0.75   4.34     4.61
1gacB14 ALA   4 HB3    0.00   0.01  -0.03  -0.04   1.41     1.35
1gacB14 ALA   5 H      0.00   0.30   0.07  -0.55   8.40     8.21
1gacB14 ALA   5 HA     0.00   0.14   0.32  -0.75   4.34     4.05
1gacB14 ALA   5 HB3    0.00   0.06  -0.07  -0.04   1.41     1.36