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BMRB: 7276

2MEY

Complete 1H, 13C and 15N resonance assignments of Blo t 5, a major mite allergen from Blomia tropicalis.

Authors

Naik, M.T., Chang, C., Huang, T.

Assembly

Blo t 5

Entity

1. Blo t 5 (polymer, Thiol state: all free), 119 monomers, 14035.63 Da Detail

GSQEHKPKKD DFRNEFDHLL IEQANHAIEK GEHQLLYLQH QLDELNENKS KELQEKIIRE LDVVCAMIEG AQGALERELK RTDLNILERF NYEEAQTLSK ILLKDLKETE QKVKDIQTQ

Formula weight

14035.63 Da

Source organism

Blomia tropicalis

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.4 %, Completeness (bb): 99.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	99.4 % (1457 of 1466)	99.1 % (771 of 778)	99.8 % (552 of 553)	99.3 % (134 of 135)
Backbone	99.7 % (710 of 712)	99.6 % (240 of 241)	100.0 % (353 of 353)	99.2 % (117 of 118)
Sidechain	99.2 % (862 of 869)	98.9 % (531 of 537)	99.7 % (314 of 315)	100.0 % (17 of 17)
Aromatic	97.0 % (64 of 66)	97.0 % (32 of 33)	97.0 % (32 of 33)
Methyl	100.0 % (132 of 132)	100.0 % (66 of 66)	100.0 % (66 of 66)

1. Blo t 5

GSQEHKPKKD DFRNEFDHLL IEQANHAIEK GEHQLLYLQH QLDELNENKS KELQEKIIRE LDVVCAMIEG AQGALERELK RTDLNILERF NYEEAQTLSK ILLKDLKETE QKVKDIQTQ

Show sample condition

Sample #1

Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

Sample #2

Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
6	Blo t 5	[U-15N]	protein	1 (±0.05) mM
7	Potassium Phosphate		buffer	50 (±0.01) mM
8	Sodium Chloride		salt	100 (±0.01) mM
9	EDTA		chelating agent	2 (±0.01) mM
10	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

Sample #3

Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details Blo t 5

#	Name	Type	Concentration
11	Blo t 5	protein	1 (±0.05) mM
12	Potassium Phosphate	buffer	50 (±0.01) mM
13	Sodium Chloride	salt	100 (±0.01) mM
14	EDTA	chelating agent	2 (±0.01) mM
15	Sodium Azide	antimicrobial agent	0.001 (±1.0E-4) %

Sample #4

Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 10% 13C Blo t 5

#	Name	Isotope labeling	Type	Concentration
16	Blo t 5	[U-10% 13C]	protein	0.8 (±0.05) mM
17	Potassium Phosphate		buffer	50 (±0.01) mM
18	Sodium Chloride		salt	100 (±0.01) mM
19	EDTA		chelating agent	2 (±0.01) mM
20	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

LACS Plot; CA

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

Referencing offset: -0.26 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.26 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.84 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MEY, Strand ID: A Detail

Release date

2007-01-09

Citation

Complete 1H, 13C and 15N resonance assignments of Blo t 5, a major mite allergen from Blomia tropicalis
Naik, M.T., Chang, C., Kuo, I., Yu, T., Fang, P., Chua, K., Huang, T.
J. Biomol. NMR (2007), 38, 189-189, PubMed 17206470 , DOI 10.1007/s10858-006-9113-y , Abstract

Related entities 1. Blo t 5, : 1 : 1 : 1 : 11 entities Detail

Experiments performed 27 experiments Detail

1 15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
6	Blo t 5	[U-15N]	protein	1 (±0.05) mM
7	Potassium Phosphate		buffer	50 (±0.01) mM
8	Sodium Chloride		salt	100 (±0.01) mM
9	EDTA		chelating agent	2 (±0.01) mM
10	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

2 13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

3 HNCa

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

4 HN(CO)Ca

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

5 HNCaCb

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

6 CbCa(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

7 HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

8 HN(Ca)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

9 HCaCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

10 HbHa(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

11 (H)C(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

12 H(CCO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

13 15N_TocsyHSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

14 HCCH-Cosy

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

15 CCH-Tocsy

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

16 HCCH-Tocsy

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

17 Cosy

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details Blo t 5

#	Name	Type	Concentration
11	Blo t 5	protein	1 (±0.05) mM
12	Potassium Phosphate	buffer	50 (±0.01) mM
13	Sodium Chloride	salt	100 (±0.01) mM
14	EDTA	chelating agent	2 (±0.01) mM
15	Sodium Azide	antimicrobial agent	0.001 (±1.0E-4) %

18 null

19 null

20 Tocsy

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details Blo t 5

#	Name	Type	Concentration
11	Blo t 5	protein	1 (±0.05) mM
12	Potassium Phosphate	buffer	50 (±0.01) mM
13	Sodium Chloride	salt	100 (±0.01) mM
14	EDTA	chelating agent	2 (±0.01) mM
15	Sodium Azide	antimicrobial agent	0.001 (±1.0E-4) %

21 Noesy

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details Blo t 5

#	Name	Type	Concentration
11	Blo t 5	protein	1 (±0.05) mM
12	Potassium Phosphate	buffer	50 (±0.01) mM
13	Sodium Chloride	salt	100 (±0.01) mM
14	EDTA	chelating agent	2 (±0.01) mM
15	Sodium Azide	antimicrobial agent	0.001 (±1.0E-4) %

22 (Hb)Cb(CgCd)Hd

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

23 (Hb)Cb(CgCdCe)He

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

24 15N HMBC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
6	Blo t 5	[U-15N]	protein	1 (±0.05) mM
7	Potassium Phosphate		buffer	50 (±0.01) mM
8	Sodium Chloride		salt	100 (±0.01) mM
9	EDTA		chelating agent	2 (±0.01) mM
10	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

25 15N HMQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
6	Blo t 5	[U-15N]	protein	1 (±0.05) mM
7	Potassium Phosphate		buffer	50 (±0.01) mM
8	Sodium Chloride		salt	100 (±0.01) mM
9	EDTA		chelating agent	2 (±0.01) mM
10	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

26 HNHa

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 13C, 15N Blo t 5

#	Name	Isotope labeling	Type	Concentration
1	Blo t 5	[U-13C; U-15N]	protein	1 (±0.05) mM
2	Potassium Phosphate		buffer	50 (±0.01) mM
3	Sodium Chloride		salt	100 (±0.01) mM
4	EDTA		chelating agent	2 (±0.01) mM
5	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

27 13C CT-HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 295 (±0.1) K, pH 7.5 (±0.01), Details 10% 13C Blo t 5

#	Name	Isotope labeling	Type	Concentration
16	Blo t 5	[U-10% 13C]	protein	0.8 (±0.05) mM
17	Potassium Phosphate		buffer	50 (±0.01) mM
18	Sodium Chloride		salt	100 (±0.01) mM
19	EDTA		chelating agent	2 (±0.01) mM
20	Sodium Azide		antimicrobial agent	0.001 (±1.0E-4) %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_7276_2mey.nef
Input source #2: Coordindates	2mey.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1
GSQEHKPKKDDFRNEFDHLLIEQANHAIEKGEHQLLYLQHQLDELNENKSKELQEKIIRELDVVCAMIEGAQGALERELKRTDLNILERFNYEEAQTLSK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSQEHKPKKDDFRNEFDHLLIEQANHAIEKGEHQLLYLQHQLDELNENKSKELQEKIIRELDVVCAMIEGAQGALERELKRTDLNILERFNYEEAQTLSK
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

00-------110-------
ILLKDLKETEQKVKDIQTQ
|||||||||||||||||||
ILLKDLKETEQKVKDIQTQ
-------110---------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	119	0	0	100.0

Content subtype: combined_7276_2mey.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1506		100.0 (chain: A, length: 119)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1991 (1)	noe	95.8 (chain: A, length: 119)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	156 (1)	hbond	78.2 (chain: A, length: 119)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	186 (186)	.	89.1 (chain: A, length: 119)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_6	OK	340 (340)	.	89.1 (chain: A, length: 119)

Assigned chemical shifts

Saveframe: chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 100.0%

-0--------10--------20--------30--------40--------50--------60--------70--------80--------90-------1
GSQEHKPKKDDFRNEFDHLLIEQANHAIEKGEHQLLYLQHQLDELNENKSKELQEKIIRELDVVCAMIEGAQGALERELKRTDLNILERFNYEEAQTLSK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSQEHKPKKDDFRNEFDHLLIEQANHAIEKGEHQLLYLQHQLDELNENKSKELQEKIIRELDVVCAMIEGAQGALERELKRTDLNILERFNYEEAQTLSK

00-------110-------
ILLKDLKETEQKVKDIQTQ
|||||||||||||||||||
ILLKDLKETEQKVKDIQTQ

Total number of assignments
- ¹H chemical shifts: 769
- ¹³C chemical shifts: 595
- ¹⁵N chemical shifts: 142

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	GLN	CD	179.139
2	GLU	CD	183.87
3	HIS	ND1	187.624
3	HIS	NE2	181.012
8	ASP	CG	178.458
9	ASP	CG	171.079
12	ASN	CG	176.953
13	GLU	CD	183.871
15	ASP	CG	180.359
16	HIS	ND1	204.739
16	HIS	NE2	178.782
20	GLU	CD	183.698
21	GLN	CD	179.779
23	ASN	CG	175.356
24	HIS	ND1	202.18
24	HIS	NE2	186.448
27	GLU	CD	182.83
30	GLU	CD	182.83
31	HIS	ND1	212.259
31	HIS	NE2	178.642
32	GLN	CD	178.656
37	GLN	CD	179.566
38	HIS	ND1	193.341
38	HIS	NE2	178.949
39	GLN	CD	180.772
41	ASP	CG	179.242
42	GLU	CD	183.945
44	ASN	CG	176.151
45	GLU	CD	182.064
46	ASN	CG	175.834
50	GLU	CD	183.924
52	GLN	CD	178.985
53	GLU	CD	183.396
58	GLU	CD	183.897
60	ASP	CG	178.88
67	GLU	CD	183.393
70	GLN	CD	179.069
74	GLU	CD	183.585
76	GLU	CD	183.887
81	ASP	CG	178.731
83	ASN	CG	176.095
86	GLU	CD	183.509
89	ASN	CG	175.37
91	GLU	CD	183.434
92	GLU	CD	183.863
94	GLN	CD	178.729
103	ASP	CG	178.214
106	GLU	CD	183.828
108	GLU	CD	183.811
109	GLN	CD	180.69
113	ASP	CG	178.752
115	GLN	CD	180.571
117	GLN	CD	181.429

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	778	769	98.8
¹³C chemical shifts	553	552	99.8
¹⁵N chemical shifts	140	132	94.3

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	241	238	98.8
¹³C chemical shifts	238	238	100.0
¹⁵N chemical shifts	118	115	97.5

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	537	531	98.9
¹³C chemical shifts	315	314	99.7
¹⁵N chemical shifts	22	17	77.3

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	67	67	100.0
¹³C chemical shifts	67	67	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	32	97.0
¹³C chemical shifts	33	32	97.0

Redox state of CYS
Peptide bond of PRO
Tautomeric state of HIS
Rotameric state of ILE , LEU, and VAL
Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 95.8%
- Total number of restraints: 1950
- Weight of restraints: 1.0 (1950)
- Potential type of restraints: square-well-parabolic (1950)
- Range of distance target values: 2.1, 3.65 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 78.2%
  - Total number of restraints: 156
  - Weight of restraints: 1.0 (156)
  - Potential type of restraints: square-well-parabolic (156)
  - Range of distance target values: 2.01, 2.46 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 89.1%
- Total number of restraints: 186
- Total number of restraints per polymer type: 186
- Weight of restraints: 1.0 (186)
- Potential type of restraints: square-well-parabolic (186)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_6
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 119, Sequence coverage: 89.1%
- Total number of restraints: 340
- Potential type of restraints: undefined (340)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords Mite group 5 allergen, Allergen, Blomia tropicalis, House dust mite

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BMRB: 7276

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Chemical shift reference

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Related entities 1. Blo t 5, : 1 : 1 : 1 : 11 entities Detail

Experiments performed 27 experiments Detail

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