=============================================================================
          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
=============================================================================
1twqP1 ALA 996 HA     0.00  -0.01   0.03  -0.75   4.34     3.61
1twqP1 ALA 996 HB3    0.00   0.01   0.00  -0.04   1.41     1.38
1twqP1 LYS 998 HA     0.00  -0.00   0.03  -0.75   4.32     3.60
1twqP1 LYS 998 HB2    0.00   0.00   0.03  -0.04   1.87     1.85
1twqP1 LYS 998 HB3    0.00  -0.01   0.02  -0.04   1.79     1.76
1twqP1 LYS 998 HG2    0.00  -0.00   0.01  -0.04   1.46     1.43
1twqP1 LYS 998 HG3    0.00   0.01   0.03  -0.04   1.46     1.47
1twqP1 LYS 998 HD2    0.00  -0.00   0.01  -0.04   1.69     1.66
1twqP1 LYS 998 HD3    0.00  -0.01   0.01  -0.04   1.68     1.64
1twqP1 LYS 998 HE2    0.00  -0.00   0.00  -0.04   2.99     2.95
1twqP1 LYS 998 HE3    0.00   0.01   0.01  -0.04   2.99     2.97