Table 2.

Values of the order parameter S² and the effective distance <r⁻⁶>^−1/6 for Mn²⁺-¹H_N vectors determined by non-linear least-squares fitting, and values of the center distances R and the distribution radii R_P calculated from S² and <r⁻⁶>^−1/6 using Fitting Procedure 1.^a

1HN b	S2	<r−6>−1/6(Å)	R(Å)	RP(Å)
I13	0.65 ± 0.04	20.6 ± 0.3	22.1 ± 0.5	8.0 ± 0.7
V14	0.68 ± 0.04	21.9 ± 0.3	23.3 ± 0.5	8.1 ± 0.7
W15	0.73 ± 0.04	22.9 ± 0.4	24.1 ± 0.6	7.6 ± 0.8
S16	0.74 ± 0.04	23.8 ± 0.4	25.0 ± 0.6	7.7 ± 0.8
Y41	0.73 ± 0.04	22.3 ± 0.3	23.5 ± 0.5	7.4 ± 0.7
W43	0.71 ± 0.04	21.9 ± 0.3	23.2 ± 0.5	7.7 ± 0.7
K44	0.71 ± 0.04	20.8 ± 0.3	22.0 ± 0.5	7.2 ± 0.7
M45	0.72 ± 0.04	21.3 ± 0.3	22.5 ± 0.5	7.3 ± 0.7
L46	0.75 ± 0.04	21.5 ± 0.3	22.5 ± 0.5	6.9 ± 0.7
W52	0.78 ± 0.03	21.6 ± 0.3	22.5 ± 0.5	6.4 ± 0.7
F54	0.73 ± 0.04	21.9 ± 0.3	23.1 ± 0.5	7.3 ± 0.7
F55	0.78 ± 0.04	21.0 ± 0.3	21.9 ± 0.5	6.1 ± 0.7
Q56	0.76 ± 0.04	21.3 ± 0.3	22.3 ± 0.5	6.7 ± 0.7
E57	0.76 ± 0.04	22.4 ± 0.4	23.5 ± 0.5	7.0 ± 0.7
A58	0.78 ± 0.03	21.6 ± 0.4	22.6 ± 0.5	6.4 ± 0.7
Q59	0.82 ± 0.03	20.8 ± 0.3	21.5 ± 0.5	5.5 ± 0.7
K60	0.77 ± 0.03	22.3 ± 0.4	23.3 ± 0.5	6.7 ± 0.7
L61	0.78 ± 0.04	22.8 ± 0.4	23.8 ± 0.6	6.6 ± 0.7
A63	0.83 ± 0.03	22.0 ± 0.4	22.7 ± 0.5	5.6 ± 0.7
M64	0.73 ± 0.04	24.1 ± 0.4	25.4 ± 0.6	8.0 ± 0.8
H65	0.84 ± 0.03	24.2 ± 0.4	24.9 ± 0.6	5.9 ± 0.8
R66	0.84 ± 0.03	23.3 ± 0.4	24.0 ± 0.6	5.8 ± 0.7

^aValues were obtained via minimization of the χ² function defined by Eq. [14] together with Eq. [13]. The distribution radii (RP) and center distances (R) were calculated using Eqs. [8] and [15], respectively. The optimized values of the correlation times τ_c and τ_i are 7.2 ± 0.9 ns and 0.20 ± 0.02 ns, respectively. bAmide protons that satisfied the four criteria described in the main text. Numbering of SRY residues is according to Murphy et al.¹⁹