BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	89.3 % (125 of 140)	94.5 % (69 of 73)	83.6 % (46 of 55)	83.3 % (10 of 12)
Backbone	75.0 % (36 of 48)	87.5 % (14 of 16)	66.7 % (16 of 24)	75.0 % (6 of 8)
Sidechain	97.0 % (97 of 100)	96.5 % (55 of 57)	97.4 % (38 of 39)	100.0 % (4 of 4)
Aromatic	100.0 % (48 of 48)	100.0 % (24 of 24)	100.0 % (20 of 20)	100.0 % (4 of 4)
Methyl	100.0 % (8 of 8)	100.0 % (4 of 4)	100.0 % (4 of 4)

1. entity 1

WWWLRKIWX

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.01) atm, Temperature 298 (±0.2) K, pH 6.2 (±0.1), Details 4.0 mM WW291, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	WW291	natural abundance		4.0 (±0.1) mM

Protein Blocks Logo

Calculated from 5 models in PDB: 6NM2, Strand ID: A Detail

Release date

2019-03-06

Citation

Two distinct amphipathic peptide antibiotics with systemic efficacy
Lakshmaiah Narayana, J., Mishra, B., Lushnikova, T., Wu, Q., Chhonker, Y.S., Zhang, Y., Zarena, D., Salnikov, E.S., Dang, X., Wang, F., Murphy, C., Foster, K.W., Gorantla, S., Bechinger, B., Murry, D.J., Wang, G.
Proc. Natl. Acad. Sci. U. S. A. (2020), 117, 19446-19454, PubMed 32723829 , DOI 10.1073/pnas.2005540117 , Abstract

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30557_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	OK

Disulfide bonds

None

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

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	9	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr30557_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	136		100.0 (chain: 1, length: 9)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 9, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 79
  - ¹³C chemical shifts: 46
  - ¹⁵N chemical shifts: 11
- 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	75	71	94.7
¹³C chemical shifts	55	46	83.6
¹⁵N chemical shifts	14	11	78.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	14	87.5
¹³C chemical shifts	16	8	50.0
¹⁵N chemical shifts	9	7	77.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	59	57	96.6
¹³C chemical shifts	39	38	97.4
¹⁵N chemical shifts	5	4	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	4	100.0
¹³C chemical shifts	4	4	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	24	24	100.0
¹³C chemical shifts	20	20	100.0
¹⁵N chemical shifts	4	4	100.0

Keywords ANTIMICROBIAL PROTEIN

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BMRB: 30557

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Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail