Table 1.

Structural statistics

Experimental restraints			Number of restraints
Total NOEs			1,260
	Intra-residuea	|i − j| = 0	657
	Sequential	|i − j| = 1	261
	Medium	1<|i − j|<5	77
	Long range	|i − j|>5	265
Backbone hydrogen bondb			30
cdih total			88
	φ		8
	ψ		24
	ω		55
J coupling			23
Residual dipolar coupling	NH		27
Total restraints			1,428
Restraint statistics			Deviation
RMSD from standard geometry
Bonds (Å)		0.004	0.0005
Angles (deg)		0.508	0.017
Improper (deg)		0.401	0.023
RMSD from experimental restraints
Distance (Å)		0.041	0.002
cdih (deg)		0.44	0.102
Ramachandran plot
Core		76.9	3.7
Allowed		17.0	3.6
Generously allowed		4.6	2.5
Disallowed		1.5	1.4
Average RMSD	Backbone	N,Cα,C′	0.55 Å
ItkSH3	Heavy atoms		1.27 Å

^aThe variables i and j refer to residue numbers

^bThere are two restraints for each of 15 hydrogen bonds