Automated NMR relaxation dispersion data analysis using NESSY

BMC Bioinformatics

Table 1 Extracted dynamics parameters of synthetic relaxation dispersion data.

	Model	R₂ [1/s]	err	k_ex [1/s]	err	p_b	err	Φ	δω
Model 2, original	2	15.23		3750.3				47457.4
Model 2, ± 2%	2	14.93	0.06	4015.0	34.8			51506.0
Model 2, ± 5%	2	15.49	0.29	3742.5	188.1			46250.6
Model 2, ± 8%	2	15.11	0.4	3795.6	251.8			48212.4
Model 2, ± 10%	2	14.35	0.24	4303.7	148.4			57796.3
Model 3, original	3	15.23		306.2		0.072			1875.5
Model 3, ± 2%	3	15.18	0.03	330.8	21.8	0.067	0.004		1874.8
Model 3, ± 5%	3	15.18	0.09	330.3	64.4	0.068	0.017		1921.0
Model 3, ± 8%	3	15.67	0.32	231.7	152.0	0.092	0.110		1800.0
Model 3, ± 10%	3	15.52	0.33	363.9	170.4	0.060	0.082		1767.5

ISSN: 1471-2105