2K19

NMR solution structure of PisI

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Varian	INOVA	Varian INOVA	500
2	Varian	INOVA	Varian INOVA	800

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	2	2D 1H-15N HSQC
10	1	1	3D HCCH-COSY
11	1	2	2D NNOE
2	1	2	3D CBCA(CO)NH
3	1	2	3D HNCACB
4	1	2	3D H(CCO)NH
5	1	2	3D HCCH-TOCSY
6	1	3	3D HNHA
7	1	3	3D 1H-15N NOESY
8	1	2	3D 1H-15N TOCSY
9	1	1	3D 1H-13C NOESY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	5.9	ambient	298

Conformers

Conformers Calculated Total Number	100
Conformers Submitted Total Number	20