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BMRB: 25590

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1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica

Authors

Moraes, A.H., Asam, C., Batista, A., Almeida, F.C.L., Wallner, M., Ferreira, F., Valente, A.

Assembly

Fag s 1

Entity

1. Fag s 1 (polymer, Thiol state: all free), 159 monomers, 17229.20 Da Detail

GVFTYESETT TVITPARLFK AFVLDADNLI PKVAPQAIKS SEIIEGSGGP GTIKKITFGE GSQFNYVKHR IDEIDNANFT YACTLIEGDA ISETLEKIAY EIKLVASPDG GSILKSTSKY HTKGDHEIKE DQIKAGKEEA SGIFKAVEAY LLANPAAYH

Formula weight

17229.2 Da

Source organism

Fagus sylvatica

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 94.0 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.0 % (1702 of 1811)	95.0 % (885 of 932)	92.6 % (665 of 718)	94.4 % (152 of 161)
Backbone	96.8 % (912 of 942)	96.0 % (312 of 325)	97.8 % (454 of 464)	95.4 % (146 of 153)
Sidechain	92.2 % (936 of 1015)	94.4 % (573 of 607)	89.2 % (357 of 400)	75.0 % (6 of 8)
Aromatic	61.3 % (87 of 142)	76.1 % (54 of 71)	46.5 % (33 of 71)
Methyl	100.0 % (190 of 190)	100.0 % (95 of 95)	100.0 % (95 of 95)

1. Fag s 1

GVFTYESETT TVITPARLFK AFVLDADNLI PKVAPQAIKS SEIIEGSGGP GTIKKITFGE GSQFNYVKHR IDEIDNANFT YACTLIEGDA ISETLEKIAY EIKLVASPDG GSILKSTSKY HTKGDHEIKE DQIKAGKEEA SGIFKAVEAY LLANPAAYH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.8

#	Name	Isotope labeling	Concentration
1	Fag_s_1	natural abundance	600 uM
2	sodium phosphate	natural abundance	10 mM
3	sodium chloride	natural abundance	150 mM
4	TFE	[U-100% 2H]	5 %
5	D2O	[U-100% 2H]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.21 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.21 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.35 ppm, Outliers: 1 Detail

Release date

2015-04-30

Citation

1H, 13C and 15N resonance assignments and second structure information of Fag s 1: Fagales allergen from Fagus sylvatica
Moraes, A.H., Asam, C., Batista, A., Almeida, F.C., Wallner, M., Ferreira, F., Valente, A.P.
Biomol. NMR Assign. (2016), 10, 45-48, PubMed 26289775 , DOI 10.1007/s12104-015-9634-y , Abstract

Related entities 1. Fag s 1, : 1 : 200 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC