2LQL

Solution structure of CHCH5

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE	Bruker Avance	500
2	Bruker	AVANCE	Bruker Avance	700
3	Bruker	AVANCE	Bruker Avance	900

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	1	2	3D HN(CA)CO
11	1	2	3D HCCH-TOCSY
12	1	2	3D 1H-15N NOESY
13	1	2	3D 1H-13C NOESY aliphatic
2	1	2	2D 1H-13C HSQC
3	1	1	2D 1H-1H NOESY
4	1	2	3D CBCA(CO)NH
5	1	2	3D HNCACB
6	1	2	3D HNCO
7	1	2	3D HNCA
8	1	2	3D HBHA(CO)NH
9	1	2	3D HN(CO)CA

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7	ambient	308

Conformers

Conformers Calculated Total Number	200
Conformers Submitted Total Number	20