BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	70.6 % (120 of 170)	77.9 % (67 of 86)	59.4 % (41 of 69)	80.0 % (12 of 15)
Backbone	78.2 % (61 of 78)	92.6 % (25 of 27)	65.8 % (25 of 38)	84.6 % (11 of 13)
Sidechain	68.3 % (71 of 104)	71.2 % (42 of 59)	65.1 % (28 of 43)	50.0 % (1 of 2)
Aromatic	3.1 % (1 of 32)	0.0 % (0 of 16)	0.0 % (0 of 15)	100.0 % (1 of 1)
Methyl	100.0 % (20 of 20)	100.0 % (10 of 10)	100.0 % (10 of 10)

1. entity 1

IFWLFRGKAD VALX

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Sample

Solvent system 70% H20/30% TFE, Pressure 1 atm, Temperature 298 K, pH 3.9, Details 1.0 mM peptide, 70% H20/30% TFE

#	Name	Isotope labeling	Type	Concentration
1	peptide	natural abundance		1.0 mM

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Calculated from 20 models in PDB: 7JGX, Strand ID: A Detail

Release date

2020-08-16

Citation

Antimicrobial and Anticancer Properties of Synthetic Peptides Derived from the Wasp Parachartergus fraternus
Muller, J., Lawrence, N., Chan, L.Y., Harvey, P.J., Elliott, A.G., Blaskovich, M., Goncalves, J.C., Galante, P., Mortari, M.R., Toffoli-Kadri, M.C., Koehbach, J., Craik, D.
Chembiochem. (2021), 22, 1415-1423, PubMed 33244888 , DOI 10.1002/cbic.202000716 , Abstract

Related entities 1. neuroVAL derived peptide, : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30775_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: bmr30775_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	140		92.9 (chain: 1, length: 14)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 14, Sequence coverage: 92.9%
- Total number of assignments
  - ¹H chemical shifts: 87
  - ¹³C chemical shifts: 41
  - ¹⁵N chemical shifts: 12
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	88	67	76.1
¹³C chemical shifts	69	41	59.4
¹⁵N chemical shifts	16	12	75.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	25	92.6
¹³C chemical shifts	26	13	50.0
¹⁵N chemical shifts	14	11	78.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	61	42	68.9
¹³C chemical shifts	43	28	65.1
¹⁵N chemical shifts	2	1	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	10	10	100.0
¹³C chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	0	0.0
¹³C chemical shifts	15	0	0.0
¹⁵N chemical shifts	1	1	100.0

Keywords ANTIMICROBIAL PROTEIN, alpha-helical, antimicrobial, non-haemolytic.

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BMRB: 30775

Sample

Related entities 1. neuroVAL derived peptide, : 1 entities Detail

Experiments performed 4 experiments Detail

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Chemical shift validation 3 contents Detail