8K3M

Solution NMR structure of trans X-Pro peptide bond conformer of a single disulfide conopeptide Mo1853

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE		700

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D DQF-COSY
10	5	2	2D TOCSY
11	6	2	2D TOCSY
12	7	2	2D TOCSY
13	8	2	2D TOCSY
14	9	2	2D TOCSY
15	10	2	2D TOCSY
16	11	2	2D TOCSY
17	12	2	2D TOCSY
18	13	2	2D TOCSY
2	1	1	2D TOCSY
3	1	1	2D NOESY
4	1	1	2D ROESY
5	1	1	2D 1H-13C HSQC aliphatic
6	1	1	1D Proton
7	2	2	2D TOCSY
8	3	2	2D TOCSY
9	4	2	2D TOCSY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6	1	303
10	6	1	318
11	6	1	323
12	6	1	328
13	6	1	332
2	6	1	278
3	6	1	283
4	6	1	288
5	6	1	293
6	6	1	298
7	6	1	303
8	6	1	308
9	6	1	313

Conformers

Conformers Calculated Total Number	200
Conformers Submitted Total Number	20