Tab. 1.

Alignment parameters from a series of samples in r = 0.85 PEG/hexanol media. The results from replicate samples are shown in shaded columns.

	dSH3a	dSH3	fSH3	fSH3 (high salt)b	dSH3-sl-dSH3	dSH3-sl-dSH3c	dSH3-ml-dSH3	dSH3-ll-dSH3a	dSH3-ll-dSH3c
Aa (10−3)	2.23	3.01	−1.40	−2.27	−1.56	−1.51	0.67	0.65	0.75
R	0.62	0.40	0.37	0.39	0.37	0.36	0.65	0.27	0.29
{α, β, γ}d	308°	308°	32°	27°	33°	34°	168°	107°	106°
	62°	65°	38°	40°	80°	80°	53°	54°	54°
	81°	80°	320°	325°	63°	63°	159°	155°	155°
N	29	25	46	27	42	42	39	45	45
Q	0.25	0.30	0.22	0.21	0.22	0.21	0.27	0.26	0.27
Δ(2H) (Hz)	24.9	21.8	24.7	25.8	23.3	23.1	16.9	23.5	24.4
GDO (10−3)e	2.03f	2.93	1.19f	1.85	1.41f	1.37	0.92f	0.57f	0.63
NSPg	1.0	0.98	0.94	0.94	−0.53	−0.53	−0.32	0.26	0.27

^aThe RDC fits are shown in Fig. 6.

^b100 mM NaCl added to the buffer solution

^cThe results included in Fig. 7a,b (green triangles)

^dRelative to the crystallographic coordinates 1U06. The rotation as defined in PALES is inverse of the rotation used by other programs.^{102, 103}

^eNormalized toward Δ(²H) = 20 Hz

^fValues used to optimize the electrostatic alignment model

^gRelative to dSH3