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BMRB: 6052

1SGO

Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Haemophilus human protein HR969

Authors

Ramelot, T.A., Montelione, G.T., Kennedy, M.A.

Assembly

HR969

Entity

1. HR969 (polymer, Thiol state: all free), 149 monomers, 16883.60 Da Detail

MGHHHHHHSH METDCNPMEL SSMSGFEEGS ELNGFEGTDM KDMRLEAEAV VNDVLFAVNN MFVSKSLRCA DDVAYINVET KERNRYCLEL TEAGLKVVGY AFDQVDDHLQ TPYHETVYSL LDTLSPAYRE AFGNALLQRL EALKRDGQS

Formula weight

16883.6 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING, TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.6 %, Completeness: 89.6 %, Completeness (bb): 93.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.6 % (1508 of 1683)	88.9 % (771 of 867)	89.8 % (591 of 658)	92.4 % (146 of 158)
Backbone	93.7 % (832 of 888)	93.4 % (284 of 304)	93.6 % (410 of 438)	94.5 % (138 of 146)
Sidechain	86.5 % (809 of 935)	86.5 % (487 of 563)	87.2 % (314 of 360)	66.7 % (8 of 12)
Aromatic	58.3 % (84 of 144)	58.3 % (42 of 72)	58.3 % (42 of 72)
Methyl	100.0 % (148 of 148)	100.0 % (74 of 74)	100.0 % (74 of 74)

1. HR969

MGHHHHHHSH METDCNPMEL SSMSGFEEGS ELNGFEGTDM KDMRLEAEAV VNDVLFAVNN MFVSKSLRCA DDVAYINVET KERNRYCLEL TEAGLKVVGY AFDQVDDHLQ TPYHETVYSL LDTLSPAYRE AFGNALLQRL EALKRDGQS

Show sample condition

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

LACS Plot; CA

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

Referencing offset: -0.2 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.2 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.07 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1SGO, Strand ID: A Detail

Release date

2004-09-29

Citation 1

Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Haemophilus human protein HR969
Ramelot, T.A., Montelione, G.T., Kennedy, M.A.

Show more 1 citaion

Citation 2

The Xplor-NIH NMR molecular structure determination package
Schwieters, C.D., Kuszewski, J.J., Tjandra, N., Clore, G.M.
J. Magn. Reson. (2003), 160, 65-73, PubMed 12565051 , DOI: , Abstract

Hide non-primary 1 citaion

Entries sharing articles BMRB: 5 entries Detail

  BMRB: 7106 released on 2006-08-14
    Title NMR Assignment of human RGS18 (regulator of G-protein signalling)
  BMRB: 6318 released on 2005-09-07
    Title Solution structure of thioredoxin h1 from Arabidopsis thaliana
  BMRB: 5842 released on 2005-05-02
    Title Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Haemophilus influenza protein IR24
  BMRB: 6176 released on 2004-06-24
    Title Solution structure of a ubiquitin-like domain of tubulin-folding cofactor B
  BMRB: 6128 released on 2004-05-14
    Title Structure of At3g01050.1, a ubiquitin-fold protein from Arabidopsis thaliana

Related entities 1. HR969, : 1 : 3 : 12 entities Detail

Interaction partners 1. HR969, : 8 interactors Detail

More details for 8 interactors identified by 5 citations

Experiments performed 18 experiments Detail

1 1H-15N HSQC

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

2 1H-13C HSQC (aliph)

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

3 15N-edited NOESY-HQSC

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

4 HCC-TOCSY-NNH

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

5 HCCH-TOCSY

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

6 13C-edited-NOESY-HSQC (aliph)

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

7 CBCACOCAHA

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

8 HNCA

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

9 HN(CO)CA

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

10 HNCO

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

11 HNCACB

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

12 CBCA(CO)NH

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

13 CC-TOCSY-NNH

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

14 HNHA

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

15 4D CC-NOESY

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

16 1H-13C HSQC (arom)

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

17 1H-13C HSQC (alpha)

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

18 13C-edited-NOESY-HSQC (arom)

Instrument

#1 Model Varian Inova (500 MHz)

#2 Model Varian Inova (600 MHz)

#3 Model Varian Inova (750 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR969	[U-15N; U-13C]	1 mM
2	MES		20 mM
3	NaCl		100 mM
4	CaCl2		5 mM

Sample #2

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
5	HR969	[U-15N]	1 mM
6	MES		20 mM
7	NaCl		100 mM
8	CaCl2		5 mM

Sample #3

Temperature 293 (±1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
9	HR969	[U-5% 13C; U-100% 15N]	1 mM
10	MES		20 mM
11	NaCl		100 mM
12	CaCl2		5 mM

null

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Found 1 Document (3.353 seconds)

BMRB: 6052

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 5 entries Detail

Related entities 1. HR969, : 1 : 3 : 12 entities Detail

Interaction partners 1. HR969, : 8 interactors Detail

Experiments performed 18 experiments Detail

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