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BMRB: 27397

6S3W

1H, 13C, 15N Chemical shift assignment for the TolAIII-TolB-peptide complex.

Authors

Redfield, C., Holmes, P., Rajasekar, K., Kleanthous, C.

Assembly

TolAIII-TolBp

Entity

1. TolAIII (polymer, Thiol state: not present), 124 monomers, 13723.33 Da Detail

HMRALAELLS DTTERQQALA DEVGSEVTGS LDDLIVNLVS QQWRRPPSAR NGMSVEVLIE MLPDGTITNA SVSRSSGDKP FDSSAVAAVR NVGRIPEMQQ LPRATFDSLY RQRRIIFKPE DLSL

2. TolBp (polymer, Thiol state: not present), 13 monomers, 1314.403 Da Detail

ADPLVISSGN DRA

Total weight

15037.733 Da

Max. entity weight

13723.33 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Refine. method

simulated annealingmolecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 89.8 %, Completeness: 84.0 %, Completeness (bb): 86.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.0 % (1286 of 1531)	84.4 % (673 of 797)	82.3 % (487 of 592)	88.7 % (126 of 142)
Backbone	86.1 % (694 of 806)	88.3 % (241 of 273)	83.4 % (337 of 404)	89.9 % (116 of 129)
Sidechain	82.0 % (701 of 855)	82.4 % (432 of 524)	81.4 % (259 of 318)	76.9 % (10 of 13)
Aromatic	77.8 % (42 of 54)	77.8 % (21 of 27)	76.9 % (20 of 26)	100.0 % (1 of 1)
Methyl	79.3 % (130 of 164)	81.7 % (67 of 82)	76.8 % (63 of 82)

1. TolAIII

HMRALAELLS DTTERQQALA DEVGSEVTGS LDDLIVNLVS QQWRRPPSAR NGMSVEVLIE MLPDGTITNA SVSRSSGDKP FDSSAVAAVR NVGRIPEMQQ LPRATFDSLY RQRRIIFKPE DLSL

2. TolBp

ADPLVISSGN DRA

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
1	TolAIII	[U-98% 15N]	0.6 (±0.05) mM
2	TolBp	natural abundance	3 (±0.1) mM
3	sodium phosphate	natural abundance	20 (±0.5) mM
4	sodium chloride	natural abundance	60 (±0.5) mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
13	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
14	TolBp	natural abundance	3 (±0.1) mM
15	sodium phosphate	natural abundance	20 (±0.5) mM
16	sodium chloride	natural abundance	60 (±0.5) mM

Chem. Shift Complete2

Sequence coverage: 24.1 %, Completeness: 50.5 %, Completeness (bb): 52.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	50.5 % (1547 of 3062)	52.5 % (837 of 1594)	47.1 % (558 of 1184)	53.5 % (152 of 284)
Backbone	52.4 % (845 of 1612)	56.0 % (306 of 546)	49.3 % (398 of 808)	54.7 % (141 of 258)
Sidechain	48.5 % (830 of 1710)	50.7 % (531 of 1048)	45.3 % (288 of 636)	42.3 % (11 of 26)
Aromatic	42.6 % (46 of 108)	46.3 % (25 of 54)	38.5 % (20 of 52)	50.0 % (1 of 2)
Methyl	51.2 % (168 of 328)	57.3 % (94 of 164)	45.1 % (74 of 164)

1. TolAIII

HMRALAELLS DTTERQQALA DEVGSEVTGS LDDLIVNLVS QQWRRPPSAR NGMSVEVLIE MLPDGTITNA SVSRSSGDKP FDSSAVAAVR NVGRIPEMQQ LPRATFDSLY RQRRIIFKPE DLSL

2. TolBp

ADPLVISSGN DRA

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
1	TolAIII	[U-98% 15N]	0.6 (±0.05) mM
2	TolBp	natural abundance	3 (±0.1) mM
3	sodium phosphate	natural abundance	20 (±0.5) mM
4	sodium chloride	natural abundance	60 (±0.5) mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
13	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
14	TolBp	natural abundance	3 (±0.1) mM
15	sodium phosphate	natural abundance	20 (±0.5) mM
16	sodium chloride	natural abundance	60 (±0.5) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6S3W, Strand ID: A, B Detail

Release date

2018-02-06

Citation

Structure of the TolA-TolB complex suggests 'Pal-uncapping' is the primary role of the Tol-Pal system in bacteria
Holmes, P., Rajasekar, K., Rassam, P., Cassels, E., Redfield, C., Kleanthous, C.
Not known

Related entities 1. TolAIII, : 1 : 2 entities Detail

Related entities 2. TolBp, : 1 : 1 entities Detail

Experiments performed 25 experiments Detail

1 3D HNCO

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

2 3D HNCA

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

3 3D CBCANH

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

5 3D H(CCO)NH

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

6 3D C(CO)NH

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

8 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

9 3D 1H-15N NOESY

Instrument

Home-built OMEGA - 750 MHz RT probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
1	TolAIII	[U-98% 15N]	0.6 (±0.05) mM
2	TolBp	natural abundance	3 (±0.1) mM
3	sodium phosphate	natural abundance	20 (±0.5) mM
4	sodium chloride	natural abundance	60 (±0.5) mM

10 3D 1H-15N TOCSY

Instrument

Home-built OMEGA - 750 MHz RT probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
1	TolAIII	[U-98% 15N]	0.6 (±0.05) mM
2	TolBp	natural abundance	3 (±0.1) mM
3	sodium phosphate	natural abundance	20 (±0.5) mM
4	sodium chloride	natural abundance	60 (±0.5) mM

11 2D 1H-15N HSQC

Instrument

Home-built OMEGA - 750 MHz RT probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
1	TolAIII	[U-98% 15N]	0.6 (±0.05) mM
2	TolBp	natural abundance	3 (±0.1) mM
3	sodium phosphate	natural abundance	20 (±0.5) mM
4	sodium chloride	natural abundance	60 (±0.5) mM

12 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

13 3D 1H-13C NOESY aliphatic

Instrument

Home-built OMEGA - 950 MHz RT probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

14 3D 1H-13C NOESY aliphatic

Instrument

Home-built OMEGA - 950 MHz RT probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
13	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
14	TolBp	natural abundance	3 (±0.1) mM
15	sodium phosphate	natural abundance	20 (±0.5) mM
16	sodium chloride	natural abundance	60 (±0.5) mM

15 2D HNCO

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

16 2D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

17 2D HNCA

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

18 2D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

19 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

20 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

21 2D HN(CA)CO

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

22 2D 1H-13C NOESY

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

23 2D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz with cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
9	TolAIII	natural abundance	1.1 (±0.05) mM
10	TolBp	[U-98% 13C; U-98% 15N]	0.2 (±0.02) mM
11	sodium phosphate	natural abundance	20 (±0.5) mM
12	sodium chloride	natural abundance	60 (±0.5) mM

24 3D HCCH-TOCSY

Instrument

Home-built OMEGA - 750 MHz RT probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

25 2D 1H-13C HSQC

Instrument

Home-built OMEGA - 750 MHz RT probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Concentration
5	TolAIII	[U-98% 13C; U-98% 15N]	0.6 (±0.05) mM
6	TolBp	natural abundance	3 (±0.1) mM
7	sodium phosphate	natural abundance	20 (±0.5) mM
8	sodium chloride	natural abundance	60 (±0.5) mM

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27397_3.str
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

Content subtype: bmr27397_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1428	98.4 (chain: 1, length: 124)
2	Assigned chemical shifts	assignedchem_shift_list_2	Warning	126	100.0 (chain: 2, length: 13)
1	Chemical shift references	chemical_shift_reference_1	OK	3	No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 124, Sequence coverage: 98.4%
- Total number of assignments
  - ¹H chemical shifts: 818
  - ¹³C chemical shifts: 483
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- 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: 1
Saveframe: assignedchem_shift_list_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 13, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 73
  - ¹³C chemical shifts: 40
  - ¹⁵N chemical shifts: 13
- Completeness of assignments
  - Entity_assemble_ID: 2
- Peptide bond of PRO
- 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: 2

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
48	SER	HG	4.806
76	SER	HG	5.497
84	SER	HG	6.099

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	731	673	92.1
¹³C chemical shifts	542	483	89.1
¹⁵N chemical shifts	141	127	90.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	247	241	97.6
¹³C chemical shifts	248	225	90.7
¹⁵N chemical shifts	117	115	98.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	78	71	91.0
¹³C chemical shifts	78	66	84.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	8	6	75.0
¹³C chemical shifts	8	3	37.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	484	432	89.3
¹³C chemical shifts	294	258	87.8
¹⁵N chemical shifts	24	12	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	21	77.8
¹³C chemical shifts	26	20	76.9
¹⁵N chemical shifts	1	1	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	61	92.4
¹³C chemical shifts	50	40	80.0
¹⁵N chemical shifts	14	13	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	25	96.2
¹³C chemical shifts	26	26	100.0
¹⁵N chemical shifts	12	11	91.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	36	90.0
¹³C chemical shifts	24	14	58.3
¹⁵N chemical shifts	2	2	100.0

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Found 1 Document (0.76 seconds)

BMRB: 27397

Sample #1

Sample #2

Sample #3

Sample #4

Sample #1

Sample #2

Sample #3

Sample #4

Related entities 1. TolAIII, : 1 : 2 entities Detail

Related entities 2. TolBp, : 1 : 1 entities Detail

Experiments performed 25 experiments Detail

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