=============================================================================
          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
=============================================================================
1wcoL8 ALA  35 H      0.00   0.08   0.03  -0.55   8.40     7.97
1wcoL8 ALA  35 HA     0.00   0.01   0.05  -0.75   4.34     3.64
1wcoL8 ALA  35 HB3    0.00   0.00   0.02  -0.04   1.41     1.39
1wcoL8 LYS  37 H      0.00   0.10   0.00  -0.55   8.42     7.97
1wcoL8 LYS  37 HA     0.00   0.00   0.04  -0.75   4.32     3.61
1wcoL8 LYS  37 HB2    0.00  -0.00   0.03  -0.04   1.87     1.85
1wcoL8 LYS  37 HB3    0.00   0.01   0.02  -0.04   1.79     1.78
1wcoL8 LYS  37 HG2    0.00   0.00   0.02  -0.04   1.46     1.44
1wcoL8 LYS  37 HG3    0.00  -0.01   0.03  -0.04   1.46     1.44
1wcoL8 LYS  37 HD2    0.00   0.00   0.01  -0.04   1.69     1.66
1wcoL8 LYS  37 HD3    0.00   0.00   0.01  -0.04   1.68     1.65
1wcoL8 LYS  37 HE2    0.00   0.00   0.01  -0.04   2.99     2.96
1wcoL8 LYS  37 HE3    0.00   0.00   0.01  -0.04   2.99     2.96