BMRB Entry 27343

Name: Backbone 1H, 13C, 15N Chemical Shift Assignments of GB1 Seq2
Published: 2018-03-08

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27343

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone 1H, 13C, 15N Chemical Shift Assignments of GB1 Seq2 PubMed: 29512300

Deposition date: 2017-12-19 Original release date: 2018-03-08

Authors: Tian, Pengfei; Louis, John; Baber, James; Best, Robert

Citation: Tian, Pengfei; Louis, John; Baber, James; Aniana, A.; Best, Robert. "Co-evolutionary fitness landscapes for sequence design" Angew. Chem. Int. Ed. Engl. 57, 5674-5678 (2018).

Assembly members:
GB1_Seq2, polymer, 68 residues, Formula weight is not available

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: na

Entity Sequences (FASTA):
GB1_Seq2: GSSHHHHHHSSGMTYKLVIK GKTLKGSTTVEASDAETAEK YFKNYANDNGVYGVWTYDSA TGTWTVTE

Data sets:

RDCs
- RDC_list_1
assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	160
15N chemical shifts	54
1H chemical shifts	179
residual dipolar couplings	51

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GB1 Seq2 monomer	1

Entities:

Entity 1, GB1 Seq2 monomer 68 residues - Formula weight is not available

1

GLY

SER

HIS

SER

2

SER

GLY

MET

THR

TYR

LYS

LEU

VAL

ILE

LYS

3

GLY

LYS

THR

LEU

LYS

GLY

SER

THR

VAL

4

GLU

ALA

SER

ASP

ALA

GLU

THR

ALA

GLU

LYS

5

TYR

PHE

LYS

ASN

TYR

ALA

ASN

ASP

ASN

GLY

6

VAL

TYR

GLY

VAL

TRP

THR

TYR

ASP

SER

ALA

7

THR

GLY

THR

TRP

THR

VAL

THR

GLU

Samples:

sample_1: GB1 Seq2, [U-99% 13C; U-99% 15N], 0.52 mM; sodium phosphate 50 mM

sample_2: GB1 Seq2, [U-99% 13C; U-99% 15N], 0.38 mM; sodium phosphate 50 mM; Pf1 phage 13 mg/mL

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC IPAP	sample_2	anisotropic	sample_conditions_1

Software:

ccpnmr, CCPN - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts