=============================================================================
          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
=============================================================================
1gacB50 ALA   1 HA     0.00  -0.00   0.02  -0.75   4.34     3.60
1gacB50 ALA   1 HB3    0.00  -0.00  -0.00  -0.04   1.41     1.37
1gacB50 LYS   3 H      0.00   0.03   0.08  -0.55   8.42     7.98
1gacB50 LYS   3 HA     0.00  -0.04   0.13  -0.75   4.32     3.66
1gacB50 LYS   3 HB2    0.00  -0.03   0.07  -0.04   1.87     1.87
1gacB50 LYS   3 HB3    0.00  -0.03   0.03  -0.04   1.79     1.75
1gacB50 LYS   3 HG2    0.00  -0.00   0.08  -0.04   1.46     1.49
1gacB50 LYS   3 HG3    0.00   0.04   0.17  -0.04   1.46     1.63
1gacB50 LYS   3 HD2    0.00  -0.02   0.03  -0.04   1.69     1.66
1gacB50 LYS   3 HD3    0.00  -0.01   0.03  -0.04   1.68     1.65
1gacB50 LYS   3 HE2    0.00  -0.02   0.02  -0.04   2.99     2.94
1gacB50 LYS   3 HE3    0.00   0.00   0.03  -0.04   2.99     2.98
1gacB50 ALA   4 H      0.00   0.20   0.07  -0.55   8.40     8.12
1gacB50 ALA   4 HA     0.00   0.11   0.86  -0.75   4.34     4.56
1gacB50 ALA   4 HB3    0.00   0.02  -0.04  -0.04   1.41     1.35
1gacB50 ALA   5 H      0.00   0.11   0.03  -0.55   8.40     7.99
1gacB50 ALA   5 HA     0.00   0.26   0.70  -0.75   4.34     4.55
1gacB50 ALA   5 HB3    0.00   0.03   0.03  -0.04   1.41     1.42