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. Author manuscript; available in PMC: 2016 Apr 1.
Published in final edited form as: J Magn Reson. 2015 Apr;253:166–172. doi: 10.1016/j.jmr.2015.02.006

Table 2.

Summary of results from MCSA assignment simulations on MLKL N-terminal domain (PDB 2MSV)

chemical shift uncertainties (ppm) number of 3D spectra ambiguous residue-type assignments? “invisible” segments? number of successful runs from 10 attempts maximum number of incorrect NCACX assignments in successful runs
0.1 4 no no 10 0
0.2 4 no no 10 4
0.3 4 no no 5 6
0.4 4 no no 2 8
0.6 4 no no 0 -
0.8 4 no no 0 -
0.1 3 no no 10 0
0.2 3 no no 10 4
0.3 3 no no 10 12
0.4 3 no no 10 14
0.6 3 no no 5 26
0.8 3 no no 2 48
0.1 2 no no 10 4
0.2 2 no no 10 8
0.3 2 no no 9 22
0.4 2 no no 10 26
0.6 2 no no 0 -
0.8 2 no no 1 87
0.1 4 yes no 10 0
0.2 4 yes no 10 4
0.3 4 yes no 7 12
0.4 4 yes no 1 8
0.6 4 yes no 0 -
0.8 4 yes no 0 -
0.1 4 no yes 10 0
0.2 4 no yes 10 4
0.3 4 no yes 5 12
0.4 4 no yes 3 8
0.6 4 no yes 0 -
0.8 4 no yes 0 -