2LLE

Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE III	Bruker AvanceIII	600
2	Bruker	AVANCE III	Bruker AvanceIII	800

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	2	3D HNCO
10	1	1	3D 1H-15N NOESY
11	1	2	3D 1H-13C NOESY
12	1	2	3D CNH-NOESY
13	1	2	3D CCH-NOESY
14	1	1	3D NNH-NOESY
15	1	1	2D 15N-filtered 1H-1H NOESY
2	1	2	3D HNCA
3	1	2	3D HNCACB
4	1	2	3D C(CO)NH
5	1	2	3D CCH-TOCSY
6	1	2	3D CCH-COSY
7	1	2	2D PLUSH-TACSY
8	1	1	3D HNHA
9	1	1	3D HNHB

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7.5	ambient	313

Conformers

Conformers Calculated Total Number	50
Conformers Submitted Total Number	17