=============================================================================
          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
=============================================================================
1gacB53 ALA   1 HA     0.00   0.00   0.02  -0.75   4.34     3.60
1gacB53 ALA   1 HB3    0.00  -0.00   0.02  -0.04   1.41     1.38
1gacB53 LYS   3 H      0.00   0.12   0.05  -0.55   8.42     8.03
1gacB53 LYS   3 HA     0.00  -0.10   0.27  -0.75   4.32     3.74
1gacB53 LYS   3 HB2    0.00  -0.01   0.14  -0.04   1.87     1.97
1gacB53 LYS   3 HB3    0.00  -0.01   0.01  -0.04   1.79     1.74
1gacB53 LYS   3 HG2    0.00  -0.01   0.06  -0.04   1.46     1.46
1gacB53 LYS   3 HG3    0.00   0.01   0.05  -0.04   1.46     1.48
1gacB53 LYS   3 HD2    0.00  -0.01   0.01  -0.04   1.69     1.66
1gacB53 LYS   3 HD3    0.00   0.00   0.02  -0.04   1.68     1.66
1gacB53 LYS   3 HE2    0.00   0.00  -0.00  -0.04   2.99     2.95
1gacB53 LYS   3 HE3    0.00  -0.00   0.01  -0.04   2.99     2.95
1gacB53 ALA   4 H      0.00   0.21   0.11  -0.55   8.40     8.17
1gacB53 ALA   4 HA     0.00   0.02   0.33  -0.75   4.34     3.94
1gacB53 ALA   4 HB3    0.00   0.07   0.00  -0.04   1.41     1.44
1gacB53 ALA   5 H      0.00   0.14   0.03  -0.55   8.40     8.02
1gacB53 ALA   5 HA     0.00   0.21   0.48  -0.75   4.34     4.28
1gacB53 ALA   5 HB3    0.00   0.04  -0.06  -0.04   1.41     1.34