5J6Z

Structure of anastellin bound to beta-strands A and B from the third type III domain of fibronectin

Spectrometer

Experimental method: SOLUTION NMR

Spectrometer ID	Spectrometer maker	Spectrometer model	Spectrometer type	Spectrometer field strength
1	Agilent	NMR system		600

Experiment

experiment id	conditions id	solution id	Experiment type
1	1	1	2D 1H-15N HSQC
10	1	1	3D HCCH-TOCSY
11	1	1	3D 1H-13C NOESY aliphatic
12	1	1	3D 13C/15N-filtered, 13C(aliphatic)-edited NOESY
13	1	1	2D 13C/15N-filtered, 13C(aliphatic)-selected NOESY
14	1	1	3D 13C/15N-filtered, 15N-edited NOESY
15	1	1	2D 13C,15N-filtered, 15N-selected NOESY
16	1	2	2D 1H-15N HSQC
17	1	2	2D 1H-13C HSQC aliphatic
18	1	2	2D 1H-13C HSQC aromatic
19	1	2	3D HNCACB
2	1	1	2D 1H-13C HSQC aliphatic
20	1	2	3D CBCA(CO)NH
21	1	2	3D C(CO)NH
22	1	2	3D H(CCO)NH
23	1	2	3D HNCO
24	1	2	3D HN(CA)CO
25	1	2	3D CCH-TOCSY
26	1	2	3D HCCH-TOCSY
27	1	2	3D 1H-13C NOESY aliphatic
28	1	2	3D 1H-13C NOESY aromatic
29	1	2	2D HBCB(CGCD)HD
3	1	1	2D 1H-13C HSQC aromatic
30	1	2	3D 13C/15N-filtered, 13C(aliphatic)-edited NOESY
31	1	2	2D 13C/15N-filtered, 13C(aliphatic)-selected NOESY
32	1	2	3D 13C/15N-filtered, 13C(aromatic)-edited NOESY
33	1	2	2D 13C/15N-filtered, 13C(aromatic)-selected NOESY
34	1	2	3D 13C/15N-filtered, 15N-edited NOESY
35	1	2	2D 13C/15N-filtered, 15N-selected NOESY
36	1	3	2D 1H-15N HSQC
37	1	3	3D 1H-15N NOESY
38	1	3	3D 1H-15N TOCSY
39	1	3	2D DQF-COSY
4	1	1	3D HNCACB
40	1	3	2D TOCSY
41	1	4	2D 1H-15N HSQC
42	1	4	3D 1H-15N NOESY
43	1	4	3D 1H-15N TOCSY
5	1	1	3D C(CO)NH
6	1	1	3D H(CCO)NH
7	1	1	3D HNCO
8	1	1	3D HN(CA)CO
9	1	1	3D CCH-TOCSY

NMR Sample

conditions id	NMR sample pH	NMR sample pressure	NMR sample temperature
1	7.5	100000	298

Conformers

Conformers Calculated Total Number	40
Conformers Submitted Total Number	19