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BMRB: 27687

6Z98

NMR resonance assignments of the peach allergen Pru p 1

Authors

Fuehrer, S., Trimmel, S., Breuker, K., Tollinger, M.

Assembly

Pru p 1.0101

Entity

1. Pru p 1.0101 (polymer, Thiol state: all free), 159 monomers, 17516.41 Da Detail

GVFTYESEFT SEIPPPRLFK AFVLDADNLV PKIAPQAIKH SEILEGDGGP GTIKKITFGE GSQYGYVKHK IDSIDKENHS YSYTLIEGDA LGDNLEKISY ETKLVASPSG GSIIKSTSHY HTKGDVEIKE EHVKAGKEKA SNLFKLIETY LKGHPDAYN

Formula weight

17516.41 Da

Source organism

Prunus persica

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.9 %, Completeness: 86.5 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.5 % (1596 of 1846)	85.7 % (822 of 959)	85.5 % (623 of 729)	95.6 % (151 of 158)
Backbone	95.6 % (897 of 938)	94.5 % (307 of 325)	96.5 % (446 of 462)	95.4 % (144 of 151)
Sidechain	79.8 % (839 of 1052)	81.2 % (515 of 634)	77.1 % (317 of 411)	100.0 % (7 of 7)
Aromatic	10.6 % (17 of 160)	13.8 % (11 of 80)	7.5 % (6 of 80)
Methyl	89.6 % (147 of 164)	89.0 % (73 of 82)	90.2 % (74 of 82)

1. Pru p 1.0101

GVFTYESEFT SEIPPPRLFK AFVLDADNLV PKIAPQAIKH SEILEGDGGP GTIKKITFGE GSQYGYVKHK IDSIDKENHS YSYTLIEGDA LGDNLEKISY ETKLVASPSG GSIIKSTSHY HTKGDVEIKE EHVKAGKEKA SNLFKLIETY LKGHPDAYN

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	Pru p 1.0101	[U-99% 13C; U-99% 15N]		0.6 mM
2	sodium phosphate	natural abundance		20 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Pru p 1.0101	[U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

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: -0.38 ppm, Outliers: 2 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: -0.38 ppm, Outliers: 2 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: -0.16 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: 0.14 ppm, Outliers: 3 Detail

Release date

2018-11-08

Citation

NMR resonance assignments of the pathogenesis-related peach allergen Pru p 1.0101
Fuehrer, S., Trimmel, S., Breuker, K., Tollinger, M.
Biomol. NMR Assign. (2018), 13, 127-130, PubMed 30542820 , DOI 10.1007/s12104-018-9864-x , Abstract

Related entities 1. Pru p 1.0101, : 1 : 202 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC