6EWU

Solution Structure of Rhabdopeptide NRPS Docking Domain Kj12C-NDD

Spectrometer

Experimental method: SOLID-STATE NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Bruker	AVANCE		600
10	Bruker	AVANCE		600
2	Bruker	AVANCE		600
6	Bruker	AVANCE		950
7	Bruker	AVANCE		800
8	Bruker	AVANCE		800
9	Bruker	AVANCE		700

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	3D 1H-15N NOESY
12	1	1	2D 1H-15N HSQC
13	1	2	2D 1H-13C HSQC aromatic
14	1	2	2D 1H-13C HSQC aliphatic
15	1	2	3D HCCH-TOCSY
16	1	2	3D HCCH-TOCSY
17	1	2	3D (H)C(CCO)NH
18	1	2	3D H(CCO)NH
19	1	2	3D HBHA(CO)NH
2	1	2	3D 1H-13C NOESY aliphatic
20	1	2	3D HN(CA)CO
3	1	2	3D 1H-13C NOESY aromatic
4	1	2	3D HNCACB
5	1	2	3D HNCO

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	6.5	AMBIENT	293

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20