8CLR

Integrated NMR/MD structure determination of a dynamic and thermodynamically stable CUUG RNA tetraloop

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE		600
2	Bruker	AVANCE III HD		700
3	Bruker	AVANCE		800
4	Bruker	AVANCE		900
5	Bruker	AVANCE II		600

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	3	2D 1H-1H NOESY
10	1	1	2D HNN-COSY
11	1	2	2D gamma HCCH
12	1	2	2D gamma HCNCH
13	1	2	2D gamma HCP
14	1	2	2D 1H-13C HSQC
15	1	1	2D 1H-15N HSQC
16	1	1	2D HCN
17	1	2	3D forward directed HCCH-TOCSY
18	1	2	3D HCP
2	1	6	2D 1H-13C HSQC
3	1	7	2D 1H-13C HSQC
4	1	7	2D 1H-15N HSQC
5	1	6	2D 1H-15N HSQC
6	1	2	3D qHCP
7	1	2	2D qHCP
8	1	2	2D P-FIDS
9	1	2	3D HCC-TOCSY-CCH-E.COSY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6.4	ambient	308

Conformers

Conformers Calculated Total Number	20100
Conformers Submitted Total Number	100