Mass: 1130.052 Da / Num. of mol.: 1 / Fragment: UNP RESIDUES 1404-1412 / Source method: obtained synthetically / Details: The peptide was chemically synthesized. / Source: (synth.) Homo sapiens (human) / References: UniProt: Q8WWN8
Has protein modification
Y
-
Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
2D 1H-15N HSQC
1
2
1
3DCBCA(CO)NH
1
3
1
3D HN(CA)CB
1
4
1
3D HNCO
1
5
1
3D HCACO
1
6
1
3DHBHA(CO)NH
1
7
1
3DC(CO)NH
1
8
1
3D 1H-15N NOESY
1
9
1
3DH(CCO)NH
1
10
2
3D (H)CCH-TOCSY
1
11
2
3D (H)CCH-COSY
1
12
2
3D 1H-13C NOESY
-
Sample preparation
Details
Solution-ID
Contents
Solvent system
1
1 mM [U-100% 13C; U-100% 15N] entity_1-1, 3 mM entity_2-2, 5 mM potassium phosphate-3, 20 mM sodium phosphate-4, 5 mM DTT-5, 2 mM EDTA-6, 75 mM sodium chloride-7, 90% H2O/10% D2O
90% H2O/10% D2O
2
1 mM [U-100% 13C; U-100% 15N] entity_1-8, 3 mM entity_2-9, 5 mM potassium phosphate-10, 75 mM sodium chloride-11, 5 mM DTT-12, 2 mM EDTA-13, 20 mM sodium phosphate-14, 100% D2O
Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 600 MHz
-
Processing
NMR software
Name
Developer
Classification
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
processing
Sparky
Goddard
chemicalshiftassignment
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
chemicalshiftcalculation
CNS
refinement
Refinement
Method: simulated annealing / Software ordinal: 1
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 20 / Representative conformer: 1
+
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