. Author manuscript; available in PMC: 2013 Apr 11.

Published in final edited form as: J Am Chem Soc. 2012 Mar 28;134(14):6191–6203. doi: 10.1021/ja210510g

Table 3.

Simulated NMR linewidth of the “bound resonance” as a function of the ratio ligand/protein for different kinetic models, shown in Figures 3 and 7.

Model	Two site	Two site	Two site	Five-site
K_A^app	3×10⁷ M⁻¹	3×10⁷ M⁻¹	3×10⁶ M⁻¹	3×10⁷ M⁻¹
k_on	3×10⁹ M⁻¹s⁻¹	3×10¹⁰ M⁻¹s⁻¹	3×10¹⁰ M⁻¹s⁻¹	complex
k_Off	100 s⁻¹	1000 s⁻¹	10000 s⁻¹	complex
R₂^bound	1000 s⁻¹	1000 s⁻¹	1000 s⁻¹	1000 s⁻¹
δν_(free-bound)	50000 Hz	50000 Hz	50000 Hz	50000 Hz

Ratio	δν_1/2^bound (Hz)	δν_1/2^bound (Hz)	δν_1/2^bound (Hz)	δν_1/2^bound (Hz)

0.25	318	318	318	318
0.5	318	318	318	318
0.75	318	318	318	318
1	330	500	1400	318
1.25	340	600	3000	414
1.5	340	600	3000	628
1.75	340	600	3000	1068
2	340	600	3000	2100