7UBF

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)

Spectrometer

Experimental method: SOLUTION NMR

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

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	1D 1H
10	1	1	2D 1H-15N SOFAST
11	1	1	1H-13C HMBC
2	1	1	2D 1H-1H NOESY
3	1	2	1D 1H
4	1	2	2D 1H-1H NOESY
5	1	2	2D 1H-1H TOCSY
6	1	2	2D 1H-1H ROESY
7	1	2	2D 1H-1H COSY
8	1	2	2D 1H-13C HSQC
9	1	1	2D 1H-13C HSQC-TOCSY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	0	1	293

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20