6TTA

Haddock model of NDM-1/quercetin complex

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE II		600
2	Bruker	AVANCE III		800

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	2	2D 1H-15N HSQC
2	1	2	2D 1H-15N HSQC
3	1	2	3D HNCO
4	1	2	3D HNCA
5	1	2	3D HNCACB
6	1	2	3D HN(CO)CA
7	1	2	3D HN(COCA)CB
8	1	2	3D HNCACO

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7	1	293

Conformers

Conformers Calculated Total Number	200
Conformers Submitted Total Number	4