Experiment: 2LVH

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D 1H-15N HSQC	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
2	2D 1H-13C HSQC	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
3	2D 1H-13C HSQC aliphatic	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
4	3D CBCA(CO)NH	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
5	3D HNCACB	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
6	3D HNCO	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
7	3D C(CO)NH	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
8	3D H(CCO)NH	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
9	3D HNHA	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
10	3D 1H-15N NOESY	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
11	2D 1H-13C HSQC aliphatic	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
12	2D 1H-13C HSQC aromatic	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
13	2D (HB)CB(CGCD)HD aromatic	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
14	2D (HB)CB(CGCDCE)HE aromatic	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
15	3D 1H-13C NOESY aliphatic	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15
16	3D 1H-13C NOESY aromatic	0.8-1 mM [U-98% 13C; U-98% 15N] AFV1p06	88% H2O/12% D2O	200	7.4	ambient	298.15

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Varian	NMR System	600

NMR Refinement
Method	Details	Software
simulated annealing, torsion angle dynamics		VnmrJ

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	150
Conformers Submitted Total Number	10
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	VnmrJ	2.3A	Varian
2	processing	NMRPipe		Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3	data analysis	NMRView	5.3	Johnson, One Moon Scientific
4	peak picking	NMRView	5.3	Johnson, One Moon Scientific
5	chemical shift assignment	NMRView	5.3	Johnson, One Moon Scientific
6	automated noe assignment	ARIA	2.2	Linge, O'Donoghue and Nilges
7	structure solution	ARIA	2.2	Linge, O'Donoghue and Nilges
8	structure solution	CNS	1.2	Brunger, Adams, Clore, Gros, Nilges and Read
9	refinement	CNS	1.2	Brunger, Adams, Clore, Gros, Nilges and Read
10	dihedral constraints	TALOS		Cornilescu, Delaglio and Bax
11	structure analysis	Procheck	3.5.4	Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho
12	structure analysis	WhatCheck		Vriend
13	data analysis	MOLMOL	2K.2	Koradi, Billeter and Wuthrich

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.