TABLE 1.

Structural statistics for 30 NMR structures of cCTnC in complex with EGCg

	Backbone atoms	Heavy atoms
r.m.s.d. from the average structure (Å)a
Residues (90–161)	1.08 ± 0.14	1.52 ± 0.15
Well defined residues	0.80 ± 0.14	1.27 ± 0.13
NOE restraints
Total	927
Short range (|i − j| = 1)	519
Medium range (1 〈|i − j|〉 5)	201
Long range (|i − j| ≥ 5)	179
Intermolecular NOEs	18
Intramolecular EGCg NOEs	10
Ca2+ distance restraints	12
Dihedral restraints (φ/ψ)	114
Energiesb
Etotal	208 ± 1
ENOE	0.28 ± 0.22
Edihedral	0.30 ± 0.20
NOE violationsc
>0.5 Å	0
>0.3 Å	0
>0.1 Å	3
Dihedral violations	0.0°
φ/ψ in core or allowed regionsd	99.3%

^a Residues 94–121, 132–143, and 145–157 have well defined backbone atoms.

^b The final K_NOE and K_dihedral used were 50 kcal/mol and 200 kcal/mol·rad².

^c Violations are for the 30 NMR lowest energy structures.

^d Data were determined by PROCHECK (58, 59).