=============================================================================
          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
=============================================================================
1lk6C1 SER   2 HA     0.00  -0.08   0.20  -0.75   4.49     3.86
1lk6C1 SER   2 HB2    0.00  -0.02   0.01  -0.04   3.95     3.90
1lk6C1 SER   2 HB3    0.00  -0.02  -0.13  -0.04   3.93     3.74
1lk6C1 GLU   3 H      0.00   0.19   0.06  -0.55   8.60     8.31
1lk6C1 GLU   3 HA     0.00   0.15   0.83  -0.75   4.29     4.52
1lk6C1 GLU   3 HB2    0.00   0.05  -0.08  -0.04   2.09     2.02
1lk6C1 GLU   3 HB3    0.00  -0.04   0.12  -0.04   1.99     2.03
1lk6C1 GLU   3 HG2    0.00  -0.01  -0.21  -0.04   2.34     2.08
1lk6C1 GLU   3 HG3    0.00   0.03   0.02  -0.04   2.34     2.35
1lk6C1 ALA   4 H      0.00   0.27   0.13  -0.55   8.40     8.25
1lk6C1 ALA   4 HA     0.00   0.18   0.90  -0.75   4.34     4.66
1lk6C1 ALA   4 HB3    0.00   0.01  -0.04  -0.04   1.41     1.34
1lk6C1 ALA   5 H      0.00   0.32   0.21  -0.55   8.40     8.39
1lk6C1 ALA   5 HA     0.00   0.13   0.68  -0.75   4.34     4.39
1lk6C1 ALA   5 HB3    0.00   0.02  -0.07  -0.04   1.41     1.32
1lk6C1 ALA   6 H      0.00   0.30   0.20  -0.55   8.40     8.35
1lk6C1 ALA   6 HA     0.00   0.11   0.58  -0.75   4.34     4.28
1lk6C1 ALA   6 HB3    0.00   0.03  -0.06  -0.04   1.41     1.34
1lk6C1 SER   7 H      0.00   0.38   0.06  -0.55   8.46     8.35
1lk6C1 SER   7 HA     0.00   0.15   0.28  -0.75   4.49     4.17
1lk6C1 SER   7 HB2    0.00   0.13  -0.21  -0.04   3.95     3.83
1lk6C1 SER   7 HB3    0.00  -0.00  -0.03  -0.04   3.93     3.86