2JOA

HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	DRX	Bruker DRX	600
2	Bruker	DRX	Bruker DRX	800

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	1	3	3D HCCH-TOCSY
11	1	5	2D 1H-1H NOESY 13C,15N-filtered in F1
12	1	5	2D 1H-1H TOCSY,13C,15N-filtered in F1
13	1	6	3D 1H-13C NOESY, 13C-filtered in F1
2	1	2	3D HNCA
3	1	2	3D HNCO
4	1	2	3D HNCACB
5	1	2	3D CBCA(CO)NH
6	1	2	3D HN(CO)CA
7	1	4	2D 1H-13C HSQC
8	1	1	3D 1H-15N NOESY
9	1	3	3D 1H-13C NOESY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6	ambient	298

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20