9HSA

Solution structure of X55, a computationally designed protein

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE III HD		700
2	Bruker	AVANCE III HD		900

Experiment

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

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7	1	298

Conformers

Conformers Calculated Total Number	200
Conformers Submitted Total Number	20