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BMRB: 4417

1B6F

1H, 13C and 15N Chemical Shift Assignments of the Birch Pollen Allergen Bet v 1

Authors

Schweimer, K., Sticht, H., Boehm, M., Roesch, P.

Assembly

Major Pollen Allergen Bet v 1-L

Entity

1. Major Pollen Allergen Bet v 1-L (polymer), 159 monomers, 17421.36 Da Detail

GVFNYETETT SVIPAARLFK AFILDGDNLF PKVAPQAISS VENIEGNGGP GTIKKISFPE GFPFKYVKDR VDEVDHTNFK YNYSVIEGGP IGDTLEKISN EIKIVATPDG GSILKISNKY HTKGDHEVKA EQVKASKELG ETLLRAVESY LLAHSDAYN

Formula weight

17421.36 Da

Source organism

Betula pendula

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 82.2 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.2 % (1510 of 1837)	81.8 % (778 of 951)	79.8 % (578 of 724)	95.1 % (154 of 162)
Backbone	96.9 % (909 of 938)	96.9 % (314 of 324)	96.8 % (448 of 463)	97.4 % (147 of 151)
Sidechain	71.4 % (745 of 1044)	74.0 % (464 of 627)	67.5 % (274 of 406)	63.6 % (7 of 11)
Aromatic	19.1 % (29 of 152)	38.2 % (29 of 76)	0.0 % (0 of 76)
Methyl	93.3 % (168 of 180)	93.3 % (84 of 90)	93.3 % (84 of 90)

1. Major Pollen Allergen Bet v 1-L

GVFNYETETT SVIPAARLFK AFILDGDNLF PKVAPQAISS VENIEGNGGP GTIKKISFPE GFPFKYVKDR VDEVDHTNFK YNYSVIEGGP IGDTLEKISN EIKIVATPDG GSILKISNKY HTKGDHEVKA EQVKASKELG ETLLRAVESY LLAHSDAYN

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

LACS Plot; CA

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

Referencing offset: -0.26 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.26 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.16 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.13 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 23 models in PDB: 1B6F, Strand ID: A Detail

Release date

2000-01-10

Citation 1

NMR Spectroscopy Reveals Common Structural Features of the Birch Pollen Allergen Bet v 1 and the Cherry Allergen Pru a 1
Schweimer, K., Sticht, H., Nerkamp, J., Boehm, M., Breitenbach, M., Vieths, S., Roesch, P.
Appl. Magn. Reson. (1999), 17, 449-646, PubMed , DOI:

Show more 1 citaion

Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. Major Pollen Allergen Bet v 1-L, : 1 : 14 : 187 entities Detail

Experiments performed 12 experiments Detail

1 3D-HNCO

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

2 3D-HNCA

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

3 3D-CBCA(CO)NH

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

4 3D-HNCACB

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

5 3D-HCCH-COSY

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

6 3D-HCCH-TOCSY

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

7 3D-13C-NOESYHSQC

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

8 3D-15N-NOESYHSQC

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

9 3D-15N-TOCSYHSQC,

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

10 3D-HNHA

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

11 2D-NOESY(D2O)

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

12 2D-TOCSY(D2O)

Instrument

Model Bruker DRX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Major Pollen Allergen Bet v 1-L	[U-95% 13C; U-95% 15N]		0.7 ~ 1.1 mM

Sample #2

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	Major Pollen Allergen Bet v 1-L	[U-98% 15N]		1.0 mM

Sample #3

Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	Major Pollen Allergen Bet v 1-L			0.8 mM

nullKeywords major birch pollen allergen, NMR Structure, pathogenesis-related protein

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Found 1 Document (1.724 seconds)

BMRB: 4417

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Major Pollen Allergen Bet v 1-L, : 1 : 14 : 187 entities Detail

Experiments performed 12 experiments Detail

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