=============================================================================
          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
=============================================================================
1fy5B1 GLY   1 HA2    0.00  -0.01   0.12  -0.51   4.01     3.61
1fy5B1 GLY   1 HA3    0.00  -0.04   0.14  -0.51   4.01     3.60
1fy5B1 ALA   2 H      0.00   0.19   0.07  -0.55   8.40     8.12
1fy5B1 ALA   2 HA     0.00  -0.02   0.26  -0.75   4.34     3.82
1fy5B1 ALA   2 HB3    0.00  -0.01   0.09  -0.04   1.41     1.46
1fy5B1 LYS   3 H      0.00   0.07   0.08  -0.55   8.42     8.01
1fy5B1 LYS   3 HA     0.00   0.43   0.93  -0.75   4.32     4.93
1fy5B1 LYS   3 HB2    0.00  -0.03   0.11  -0.04   1.87     1.91
1fy5B1 LYS   3 HB3    0.00  -0.01   0.09  -0.04   1.79     1.83
1fy5B1 LYS   3 HG2    0.00   0.03  -0.03  -0.04   1.46     1.42
1fy5B1 LYS   3 HG3    0.00   0.12  -0.13  -0.04   1.46     1.41
1fy5B1 LYS   3 HD2    0.00  -0.03   0.01  -0.04   1.69     1.63
1fy5B1 LYS   3 HD3    0.00  -0.03   0.01  -0.04   1.68     1.62
1fy5B1 LYS   3 HE2    0.00   0.01  -0.02  -0.04   2.99     2.94
1fy5B1 LYS   3 HE3    0.00   0.07  -0.01  -0.04   2.99     3.01