2KXC

1H, 13C, and 15N Chemical Shift Assignments for IRTKS-SH3 and EspFu-R47 complex

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Varian	INOVA	Varian INOVA	800
2	Varian	INOVA	Varian INOVA	600

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	3D 1H-15N NOESY
10	1	2	2D 1H-13C HSQC
11	1	1	3D HNCACB
12	1	2	3D HNCACB
13	1	1	3D CBCA(CO)NH
14	1	2	3D CBCA(CO)NH
15	1	1	3D HBHA(CO)NH
16	1	2	3D HBHA(CO)NH
17	1	1	3D C(CO)NH
18	1	2	3D C(CO)NH
19	1	1	3D H(CCO)NH
2	1	1	3D 1H-13C NOESY
20	1	2	3D H(CCO)NH
3	1	1	3D HCCH-COSY
4	1	2	3D 1H-15N NOESY
5	1	2	3D 1H-13C NOESY
6	1	2	3D HCCH-COSY
7	1	1	2D 1H-15N HSQC
8	1	2	2D 1H-15N HSQC
9	1	1	2D 1H-13C HSQC

NMR Sample

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

Conformers

Conformers Calculated Total Number	200
Conformers Submitted Total Number	20