. Author manuscript; available in PMC: 2012 Nov 7.

Published in final edited form as: J Biomol NMR. 2011 Sep 27;51(1-2):21–34. doi: 10.1007/s10858-011-9538-9

Table 1.

Summary of fitted and constrained parameters

Fit parameters	on-enzyme trans/cis	$K_{D}^{t r a n s}$ (mM)	$K_{D}^{c i s}$ (mM)	on-enzyme k_ex (s⁻¹)

	3.9 ± 0.8	1.5 ± 0.4	0.4 ± 0.1	1500 ± 100

Constrained parameters	free trans/cis^a	$K_{D}^{A p p}$ (mM)^b	Uncatalyzed k_ex (s⁻¹)^c	$k_{o f f}^{c i s}$ (s⁻¹)^d	$k_{o f f}^{t r a n s}$ (s⁻¹)^d

	13.6 ± 0.7	1.3 ± 0.3	0.0085 ± 0.0008	≥ 4,000	≥ 20,000

	Proline Protons	Δω trans (ppm)	Δω cis (ppm)	$R_{2, 0}^{f r e e}$ (Hz)

Nucleus-specific parameters	Hα	−0.075	−0.197	4.4
	Hβ₁	−0.074	−0.477	5.0
	Hβ₂	−0.040	−0.434	4.3
	Hδ₁	−0.019	0.357	4.7
	Hδ₂	−0.038	−0.143	4.8

Determined from peak volumes

Determined from NMR titration of enzyme

Determined from binding kinetics (data not shown)

Assuming a diffusion-limited on-rate of ≥ 10⁷ M⁻¹s⁻¹