=============================================================================
          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
=============================================================================
1qs8D1 VAL 412 HA     0.00  -0.08   0.20  -0.75   4.13     3.50
1qs8D1 VAL 412 HB     0.00  -0.01   0.02  -0.04   2.12     2.09
1qs8D1 VAL 412 HG13   0.00  -0.01  -0.09  -0.04   0.97     0.82
1qs8D1 VAL 412 HG23   0.00  -0.00   0.03  -0.04   0.95     0.93
1qs8D1 VAL 413 H      0.00   0.18   0.02  -0.55   8.24     7.90
1qs8D1 VAL 413 HA     0.00   0.24   0.68  -0.75   4.13     4.30
1qs8D1 VAL 413 HB     0.00  -0.03   0.06  -0.04   2.12     2.11
1qs8D1 VAL 413 HG13   0.00   0.01   0.01  -0.04   0.97     0.95
1qs8D1 VAL 413 HG23   0.00   0.01  -0.17  -0.04   0.95     0.75
1qs8D1 ALA 415 HA     0.00   0.02   0.16  -0.75   4.34     3.76
1qs8D1 ALA 415 HB3    0.00  -0.00   0.03  -0.04   1.41     1.39