BMRB Entry 6963

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PDB ID: 2ddj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6963
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: 1H Chemical Shift Assignments for the Second Kunitz domain of human WFIKKN1, Pro61 in cis- or trans- conformation PubMed: 16791741

Deposition date: 2006-01-30 Original release date: 2006-06-28

Authors: Liepinsh, Edvards; Otting, Gottfried

Citation: Liepinsh, Edvards; Nagy, Alinda; Trexler, Maria; Patthy, Laszlo; Otting, Gottfried. "Second Kunitz-type protease inhibitor domain of the human WFIKKN1 protein" J. Biomol. NMR 35, 73-78 (2006).

Assembly members:
second Kunitz domain, polymer, 70 residues, Formula weight is not available

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
second Kunitz domain: EAEAEFTDACVLPAVQGPCR GWEPRWAYSPLLQQCHPFVY GGCEGNGNNFHSRESCEDAC PVVDHHHHHH

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
1H chemical shifts	820

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	Second Kunitz domain of human WFIKKN1, cis-conformer	1
2	Second Kunitz domain of human WFIKKN1, trans-conformer	1

1	GLU	ALA	GLU	ALA	GLU	PHE	THR	ASP	ALA	CYS
2	VAL	LEU	PRO	ALA	VAL	GLN	GLY	PRO	CYS	ARG
3	GLY	TRP	GLU	PRO	ARG	TRP	ALA	TYR	SER	PRO
4	LEU	LEU	GLN	GLN	CYS	HIS	PRO	PHE	VAL	TYR
5	GLY	GLY	CYS	GLU	GLY	ASN	GLY	ASN	ASN	PHE
6	HIS	SER	ARG	GLU	SER	CYS	GLU	ASP	ALA	CYS
7	PRO	VAL	VAL	ASP	HIS	HIS	HIS	HIS	HIS	HIS

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	conditions_1
TOCSY	sample_1	not available	conditions_1
DQF-COSY	sample_1	not available	conditions_1

Biological Magnetic Resonance Data Bank

BMRB Entry 6963

Title: 1H Chemical Shift Assignments for the Second Kunitz domain of human WFIKKN1, Pro61 in cis- or trans- conformation PubMed: 16791741

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLU	ALA	GLU	ALA	GLU	PHE	THR	ASP	ALA	CYS
2	VAL	LEU	PRO	ALA	VAL	GLN	GLY	PRO	CYS	ARG
3	GLY	TRP	GLU	PRO	ARG	TRP	ALA	TYR	SER	PRO
4	LEU	LEU	GLN	GLN	CYS	HIS	PRO	PHE	VAL	TYR
5	GLY	GLY	CYS	GLU	GLY	ASN	GLY	ASN	ASN	PHE
6	HIS	SER	ARG	GLU	SER	CYS	GLU	ASP	ALA	CYS
7	PRO	VAL	VAL	ASP	HIS	HIS	HIS	HIS	HIS	HIS

1	GLU	ALA	GLU	ALA	GLU	PHE	THR	ASP	ALA	CYS
2	VAL	LEU	PRO	ALA	VAL	GLN	GLY	PRO	CYS	ARG
3	GLY	TRP	GLU	PRO	ARG	TRP	ALA	TYR	SER	PRO
4	LEU	LEU	GLN	GLN	CYS	HIS	PRO	PHE	VAL	TYR
5	GLY	GLY	CYS	GLU	GLY	ASN	GLY	ASN	ASN	PHE
6	HIS	SER	ARG	GLU	SER	CYS	GLU	ASP	ALA	CYS
7	PRO	VAL	VAL	ASP	HIS	HIS	HIS	HIS	HIS	HIS

1	GLU	ALA	GLU	ALA	GLU	PHE	THR	ASP	ALA	CYS
2	VAL	LEU	PRO	ALA	VAL	GLN	GLY	PRO	CYS	ARG
3	GLY	TRP	GLU	PRO	ARG	TRP	ALA	TYR	SER	PRO
4	LEU	LEU	GLN	GLN	CYS	HIS	PRO	PHE	VAL	TYR
5	GLY	GLY	CYS	GLU	GLY	ASN	GLY	ASN	ASN	PHE
6	HIS	SER	ARG	GLU	SER	CYS	GLU	ASP	ALA	CYS
7	PRO	VAL	VAL	ASP	HIS	HIS	HIS	HIS	HIS	HIS