2MWH

NMR solution structure of ligand-free OAA

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE	Bruker Avance	600
2	Bruker	AVANCE	Bruker Avance	700
3	Bruker	AVANCE	Bruker Avance	800
4	Bruker	AVANCE	Bruker Avance	900

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	3	2D 1H-15N HSQC
10	1	2	2D 1H-15N IPAP-HSQC
11	1	1	2D 1H-15N IPAP-HSQC
2	1	3	2D 1H-13C HSQC aliphatic
3	1	3	2D 1H-13C HSQC aromatic
4	1	2	3D HNCA
5	1	2	3D HNCO
6	1	3	3D HCCH-TOCSY
7	1	2	3D 1H-15N NOESY
8	1	2	3D 1H-13C NOESY aliphatic
9	1	2	3D 1H-13C NOESY aromatic

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	5	ambient	298

Conformers

Conformers Calculated Total Number	200
Conformers Submitted Total Number	20