6VH8

NMR Solution Structure of Excelsatoxin A

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE III		600
2	Bruker	AVANCE NEO		900

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-1H TOCSY
2	1	1	2D 1H-1H NOESY
3	1	2	2D 1H-1H ECOSY
4	1	2	2D 1H-1H TOCSY
5	1	1	2D 1H-15N HSQC
6	1	2	2D 1H-13C HSQC aliphatic

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	3	1	298

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20