BMRB: 6688 released on 2015-09-01
    Title NMR chemical shift entry for protein Rv1980c (MPT64) from M. tuberculosis
  BMRB: 17208 released on 2011-05-04
    Title Backbone 1H, 13C, and 15N chemical shift assignments for the nucleotide-binding domain of E.coli DnaK in the ADP.Pi-bound state
  BMRB: 17209 released on 2011-05-04
    Title Backbone 1H, 13C, and 15N chemical shift assignments for the nucleotide-binding domain of E.coli DnaK in the nucleotide-free state
  BMRB: 17210 released on 2011-05-04
    Title Backbone 1H, 13C, and 15N Chemical Shift Backbone 1H, 13C, and 15N chemical shift assignments for the nucleotide-binding domain of E.coli DnaK in the ATP-bound state
  BMRB: 4503 released on 2008-07-16
    Title Solution Structure of Alpha-conotoxin SI
  BMRB: 5377 released on 2008-07-16
    Title Assignments of 1H, 13C and 15N resonances of human Ca2+-S100B in complex with the TRTK-12 peptide
  BMRB: 6414 released on 2008-07-16
    Title FRAGMENT 33-61 OF BOVINE alpha-HEMOGLBIN: THE EFFECT OF C-TERMINAL AMIDATION AND IDENTIFICATION OF THE MINIMAL PORTION WITH ANTIFUNGAL ACTIVITY
  BMRB: 4921 released on 2008-07-15
    Title Solution structure of poneratoxin
  BMRB: 6411 released on 2008-07-15
    Title FRAGMENT 33-61 OF BOVINE alpha-HEMOGLBIN: THE EFFECT OF C-TERMINAL AMIDATION AND IDENTIFICATION OF THE MINIMAL PORTION WITH ANTIFUNGAL ACTIVITY
  BMRB: 15048 released on 2007-11-20
    Title Rub184
  BMRB: 6650 released on 2007-09-25
    Title 1H Chemical Shift Assignments for fragments of Sticholysin protein
  BMRB: 6651 released on 2007-09-25
    Title 1H Chemical Shift Assignments for fragments of Sticholysin protein
  BMRB: 4349 released on 2007-07-12
    Title Backbone Resonance Assignments for the Fv Fragment of the Catalytic Antibody NPN43C9 with Bound p-nitrophenol
  BMRB: 7126 released on 2007-03-05
    Title 1H,13C and 15N resonance assignments of barnase-barstar complex NMR deuterium methyl relaxation data for free barnase and barnase-barstar complex
  BMRB: 7139 released on 2007-03-05
    Title 1H,13C and 15N resonance assignments of barnase-barstar complex NMR deuterium methyl relaxation data for free barnase and barnase-barstar complex
  BMRB: 7080 released on 2006-10-30
    Title Complex of TM1a(1-14)Zip with TM9a(251-284): a model for the polymerization domain ("overlap region")of tropomyosin
  BMRB: 6838 released on 2006-05-01
    Title 1H, 13C and 15N backbone resonance assignment for PSE-4, a 29.5 kDa class A beta-lactamase from Pseudomonas aeruginosa
  BMRB: 6648 released on 2006-04-26
    Title Solution Structure of a Zap1 Zinc-Responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae
  BMRB: 6653 released on 2006-04-23
    Title Solution Structure of a Zap1 Zinc-Responsive Domain Provides Insights into Metalloregulatory Transcriptional Repression in Saccharomyces cerevisiae
  BMRB: 5328 released on 2006-04-05
    Title Solution NMR structure of the BRCT domain from Thermus thermophilus DNA ligase
  BMRB: 6758 released on 2006-03-09
    Title NMR assignment of the E.coli cytolethal distending toxin CdtB-II subunit
  BMRB: 6533 released on 2006-02-22
    Title 1H, 13C, and 15N Chemical Shift Assignments for the DNA binding domain of STPA from E. coli
  BMRB: 6505 released on 2005-12-08
    Title Solution Structure of the Conserved Protein from the Gene Locus Mm1357 of Methanosarcina Mazei. Northeast Structural Genomics Target Mar30
  BMRB: 6412 released on 2005-10-19
    Title FRAGMENT 33-61 OF BOVINE alpha-HEMOGLBIN: THE EFFECT OF C-TERMINAL AMIDATION AND IDENTIFICATION OF THE MINIMAL PORTION WITH ANTIFUNGAL ACTIVITY
  BMRB: 6413 released on 2005-10-19
    Title FRAGMENT 33-61 OF BOVINE alpha-HEMOGLBIN: THE EFFECT OF C-TERMINAL AMIDATION AND IDENTIFICATION OF THE MINIMAL PORTION WITH ANTIFUNGAL ACTIVITY
  BMRB: 6318 released on 2005-09-07
    Title Solution structure of thioredoxin h1 from Arabidopsis thaliana
  BMRB: 4898 released on 2005-06-01
    Title Assignment of 1H, 13C, 15N and 31P resonances of the FYVE domain in the complex with phosphatidylinositol 3-phosphate.
  BMRB: 4401 released on 2005-05-25
    Title Structure and Interaction Site of the Regulatory Domain of Troponin-C when Complexed with the 96-148 Region of Troponin-I
  BMRB: 6211 released on 2004-11-11
    Title Chemical Shift Assignments for Carnobacteriocin B2 immunity protein
  BMRB: 6243 released on 2004-09-19
    Title NMR Relaxation data for Protein Azurin from Pseudomonas aeruginosa
  BMRB: 5844 released on 2004-07-25
    Title ZR18 Structure determination
  BMRB: 5998 released on 2004-07-05
    Title 1H, 15N and 13C resonance assignments of the ApaG/CorD protein of the phytopathogen Xanthomonas axonopodis pv. citri
  BMRB: 6069 released on 2004-06-29
    Title Chemical Shift Assignments for Precarnobacteriocin B2
  BMRB: 6057 released on 2004-06-27
    Title Sequence-specific resonance assignments of the tandem SH3 domains in autoinhibitory form of p47phox
  BMRB: 6176 released on 2004-06-24
    Title Solution structure of a ubiquitin-like domain of tubulin-folding cofactor B
  BMRB: 6056 released on 2004-05-14
    Title Yeast oligosaccharyltransferase subunit Ost4p
  BMRB: 6128 released on 2004-05-14
    Title Structure of At3g01050.1, a ubiquitin-fold protein from Arabidopsis thaliana
  BMRB: 5854 released on 2004-02-09
    Title 1H, 13C, and 15N backbone assignments for the 60.8 kD dimer of the NAD+ synthetase from Bacillus subtilis
  BMRB: 5237 released on 2003-12-07
    Title Assignment of 1H, 13C, and 15N resonances of Type II R67 Dihydrofolate Reductase
  BMRB: 5480 released on 2003-12-07
    Title 1H,15N and 13C assigned Chemical Shifts for a complex of calmodulin with a peptide of the olfactory CNGC channel
  BMRB: 5859 released on 2003-10-16
    Title Structure of Antibacterial Peptide Microcin J25: A 21-Residue Lariat Protoknot
  BMRB: 5792 released on 2003-10-15
    Title Assignment of the 1H, 15N and 13C resonances of E. coli frataxin orthologue, CyaY
  BMRB: 5905 released on 2003-10-05
    Title Backbone 15N and 1HN Chemical Shift Assignments for Sac7d
  BMRB: 5908 released on 2003-10-05
    Title Backbone 1HN and 15N Chemical Shift Assignments for Sac7d V30I
  BMRB: 5935 released on 2003-10-05
    Title Sequence-specific 1H, 13C and 15N resonance assignments of rat liver fructose-2,6-bisphosphatase domain
  BMRB: 5596 released on 2003-09-04
    Title Solution Structure of the hypothetical protein yggU from E. coli. Northeast Structural Genomics Consortium Target ER14.
  BMRB: 5693 released on 2003-08-06
    Title Backbone chemical shift assignments of Grb2 complexed with ligand peptides for SH3 and SH2 domains
  BMRB: 5334 released on 2003-06-09
    Title Backbone 1H, 13C, and 15N resonance assignments and secondary structure of the D54A mutant of HTLV-I capsid protein
  BMRB: 5231 released on 2003-06-08
    Title Resonance assignments for stromelysin complexed with a beta-sulfonyl hydroxamate inhibitor
  BMRB: 4982 released on 2003-05-22
    Title 1H, 13C and 15N NMR sequence-specific resonance assignments for bovine apo-S100A1(aa) in oxidized form
  BMRB: 4943 released on 2003-05-20
    Title 1H Chemical shift Assignments for Lysozymes marketed by Seikagaku and Sigma companies at pH 3.8, 308K
  BMRB: 5599 released on 2003-05-13
    Title The Tertiary Structure and Backbone Dynamics of Human Prolactin: Evidence for Reversible Oligomerization in Solution
  BMRB: 5691 released on 2003-02-24
    Title Solution Structure of the 30S ribosomal protein S28E from Pyrococcus horikoshii. Northeast Structural Genomics Consortium target JR19
  BMRB: 5354 released on 2003-01-26
    Title Structure and Interactions of PAS kinase N-terminal PAS domain: Model for intramolecular kinase regulation
  BMRB: 5482 released on 2003-01-13
    Title Assignment of 1H, 13C and 15N resonances of the N-terminal microtubule-binding domain of human doublecortin
  BMRB: 5498 released on 2002-08-21
    Title Backbone and Sidechain 1H, 13C, and 15N Chemical Shift Assigments for Complex between p67SH3(C) and p47 Tail Peptide
  BMRB: 5189 released on 2002-05-06
    Title 1H, 15N and 13C resonance assignments of rabbit apo-S100A11
  BMRB: 5177 released on 2002-05-05
    Title Backbone and side-chain 1H, 13C, and 15N chemical shift assignments for chick cofilin
  BMRB: 5003 released on 2002-04-04
    Title Backbone Sequential Resonance Assignments of Yeast iso-2 Cytochrome c, Reduced and Oxidized forms
  BMRB: 5010 released on 2002-04-04
    Title 1H, 15N, and 13C chemical shift assignments for DNA polymerase X
  BMRB: 5044 released on 2001-11-13
    Title 1H, 13C, and 15N Chemical shift assignments for the third Immunoglobulin domain from the neural cell adhesion molecule, N-CAM
  BMRB: 4870 released on 2001-06-28
    Title Sequence-specific 1H, 15N, and 13C resonance assignments for the whole region 4 of Escherichia coli RNA polymerase sigma70 subunit
  BMRB: 4935 released on 2001-06-28
    Title Backbone Assignments for Af19
  BMRB: 4899 released on 2001-05-02
    Title SMN Tudor Domain Structure and its Interaction with the Sm Proteins
  BMRB: 4584 released on 2001-05-01
    Title Solution Structure of the DNA-binding Domain of TraM
  BMRB: 4981 released on 2001-04-30
    Title Identification of the phospholipid binding site of human beta2-glycoprotein I domain V by heteronuclear magnetic resonance
  BMRB: 4841 released on 2001-04-25
    Title 1H, 15N and 13C chemical shift assignments for the PAH2 domain of mSin3B complexed to Mad1-SID
  BMRB: 4874 released on 2001-04-25
    Title Sequence-specific assignment of the PAH2 domain of Sin3B free and complexed to Mad1
  BMRB: 4980 released on 2001-03-24
    Title 1H and 15N sequential assignment and secondary structure of the monomeric N67D mutant of bovine seminal ribonuclease
  BMRB: 4814 released on 2001-02-13
    Title Complete 1H, 15N, and 13C assignments of an exchangeable apolipoprotein, Locusta migratoria apolipophorin III
  BMRB: 4802 released on 2001-01-22
    Title 1H, 13C, and 15N sequential assignment of the triple labelled N-terminal domain of the Histone like Nucleoid Structuring protein (H-NS) from Salmonella typhimurium (first 64 residues of the protein)
  BMRB: 4422 released on 2000-12-18
    Title NMR Solution Structure of Apis mellifera Chymotrypsin Inhibitor (AMCI).
  BMRB: 4373 released on 2000-12-13
    Title 1H, 15N, and 13C Resonance Assignment of the PH Domain from C. elegans UNC-89
  BMRB: 4803 released on 2000-11-14
    Title 1H,13C and 15N chemical shifts of bovine ferrous cytochrome b5
  BMRB: 4804 released on 2000-11-14
    Title 1H,13C and 15N chemical shifts of bovine ferrous cytochrome b5-N17D
  BMRB: 4805 released on 2000-11-14
    Title 1H, 13C and 15N chemical shifts of bovine ferric cytochrome b5 in complex with horse heart ferric cytochrome c
  BMRB: 4806 released on 2000-11-14
    Title 1H, 13C and 15N chemical shifts of bovine ferric cytochrome b5
  BMRB: 4807 released on 2000-11-14
    Title 1H, 13C and 15N chemical shifts of bovine ferric cytochrome b5-N17D
  BMRB: 4808 released on 2000-11-14
    Title 1H, 13C and 15N chemical shifts of bovine ferrous cytochrome b5 in complex with horse heart ferrous cytochrome c
  BMRB: 4809 released on 2000-11-14
    Title 1H, 13C and 15N chemical shifts of bovine ferrous cytochrome b5-N17D in complex with horse heart ferrous cytochrome c
  BMRB: 4810 released on 2000-11-14
    Title 1H, 13C and 15N chemical shifts of bovine ferric cytochrome b5 in complex with horse heart ferric cytochrome c
  BMRB: 4789 released on 2000-10-22
    Title Backbone 1H, 13C, and 15N Chemical Shift Assignments for TAZ2 domain of CBP
  BMRB: 4664 released on 2000-07-07
    Title Sequence-Specific Resonance Assignments of Q83, a Lipocalin Highly Expressed in v-myc-Transformed Avian Fibroblasts
  BMRB: 4683 released on 2000-06-18
    Title Multiple Modes of Peptide Recognition by the PTB Domain of the cell fate Determinant Numb
  BMRB: 4214 released on 2000-06-16
    Title N-terminal Domain of Tissue Inhibitor of Metalloproteinase-2 (N-TIMP-2)
  BMRB: 4737 released on 2000-06-12
    Title The Structure of the Transcriptional Antiterminator NusB from Escherichia Coli
  BMRB: 4432 released on 2000-05-04
    Title 1H-NMR Spectral Assignment of Second Transmembrane Segments of Human Glycine Receptor
  BMRB: 4433 released on 2000-05-04
    Title 1H-NMR Spectral Assignment of Second Transmembrane Segments of Human Glycine Receptor
  BMRB: 4381 released on 2000-03-19
    Title Letter to the Editor:Sequence-specific 1H, 13C, and 15N assignments for the third EH domain of Eps15 (EH3)
  BMRB: 4388 released on 2000-03-19
    Title Backbone NMR Assignments of a High Molecular Weight Protein (47kD), Cyclic AMP Receptor Protein (apo-CRP)
  BMRB: 4677 released on 2000-03-01
    Title Solution Structure of the Cysteine-rich Domain of the Escherichia coli Chaperone Protein DnaJ
  BMRB: 4250 released on 2000-02-24
    Title Structure of the 3' hairpin of the TYMV pseudoknot: Preformation in RNA folding
  BMRB: 4352 released on 1999-10-06
    Title Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Inhibitor-Bound DNase Domain of Colicin E9.
  BMRB: 4249 released on 1999-08-05
    Title Solution Structure of the DNA- and RPA-binding Domain of the Human Repair Factor XPA
  BMRB: 4293 released on 1999-03-08
    Title Assignment of 1H, 13C and 15N Signals of the DNase Domain of Colicin E9
  BMRB: 4312 released on 1999-03-02
    Title 1H, 15N and 13C Resonance Assignments for the Bromodomain of the Histone Acetyltransferase hsP/CAF
  BMRB: 4109 released on 1999-02-01
    Title Sequence Specific 1H, 13C and 15N Resonance Assignment of Rat CD2 Domain 1
  BMRB: 4098 released on 1998-12-20
    Title 1H, 15N and 13C Resonance Assignments and Secondary Structure of Apo Liver Fatty Acid-Binding Protein
  BMRB: 4110 released on 1998-10-13
    Title 1H, 13C, 15N Resonance Assignment of the 20 KDa Double Stranded RNA Binding Domain of PKR

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5005_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	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

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

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:89:MET:SD	2:1:HEC:FE	unknown	unknown	n/a
1:23:CYS:SG	2:1:HEC:CAB	oxidized, CA 54.5, CB 36.0 ppm	unknown	n/a
1:26:CYS:SG	2:1:HEC:CAC	oxidized, CA 58.0, CB 37.3 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr5005_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	csr1	Warning	882		99.1 (chain: 1, length: 112)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

1. Saveframe: csr1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: 1, Chain length: 112, Sequence coverage: 99.1%

     --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
     AKESTGFKPGSAKKGATLFKTRCQQCHTIEEGGPNKVGPNLHGIFGRHSGQVKGYSYTDANINKNVKWDEDSMSEYLTNPAKYIPGTKMAFAGLKKEKDR
      |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
     .KESTGFKPGSAKKGATLFKTRCQQCHTIEEGGPNKVGPNLHGIFGRHSGQVKGYSYTDANINKNVKWDEDSMSEYLTNPAKYIPGTKMAFAGLKKEKDR
     
     -------110--
     NDLITYMTKAAK
     ||||||||||||
     NDLITYMTKAAK
     

   • Total number of assignments
     • ¹³C chemical shifts: 418
     • ¹H chemical shifts: 360
     • ¹⁵N chemical shifts: 104
   • Completeness of assignments
     • Entity_assemble_ID: 1
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	499	418	83.8
         1H chemical shifts	685	348	50.8
         15N chemical shifts	121	104	86.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	224	219	97.8
         1H chemical shifts	231	210	90.9
         15N chemical shifts	107	104	97.2

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	275	199	72.4
         1H chemical shifts	454	138	30.4
         15N chemical shifts	14	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	47	37	78.7
         1H chemical shifts	47	6	12.8

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         13C chemical shifts	51	0	0.0
         1H chemical shifts	52	0	0.0
         15N chemical shifts	1	0	0.0

   • Redox state of CYS
     • 1:23:CYS, CA: 54.5 ppm, CB: 36.0 ppm
       • Redox_state (pred. by CS): oxidized
     • 1:26:CYS, CA: 58.0 ppm, CB: 37.3 ppm
       • Redox_state (pred. by CS): oxidized
   • Peptide bond of PRO
     • 1:9:PRO, CB: 31.8 ppm, CG: 27.2 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:34:PRO, CB: 31.9 ppm, CG: 27.3 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:39:PRO, CB: 30.1 ppm, CG: 24.3 ppm
       • Peptide_bond (pred. by CS): cis 0.6%, trans 99.4%
     • 1:80:PRO, CB: 31.6 ppm, CG: 28.0 ppm
       • Peptide_bond (pred. by CS): trans
     • 1:85:PRO, CB: 31.5 ppm, CG: 27.9 ppm
       • Peptide_bond (pred. by CS): trans
   • Rotameric state of ILE , LEU, and VAL
     • 1:18:LEU, CD1: 23.0 ppm, CD2: 23.0 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:29:ILE, CD1: 15.0 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.7%, trans 95.3%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:37:VAL, CG1: 20.0 ppm, CG2: 22.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.3%, trans 39.7%, gauche- 7.9%
       • Rotameric_state (coordinates): unknown
     • 1:44:ILE, CD1: 14.9 ppm
       • Rotameric_state (pred. by CS): gauche+ 4.7%, trans 95.3%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:52:VAL, CG1: 21.1 ppm, CG2: 22.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 38.8%, trans 49.4%, gauche- 11.8%
       • Rotameric_state (coordinates): unknown
     • 1:62:ILE, CD1: 13.7 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.8%, trans 76.2%, gauche- 20.0%
       • Rotameric_state (coordinates): unknown
     • 1:66:VAL, CG1: 17.7 ppm, CG2: 20.5 ppm
       • Rotameric_state (pred. by CS): gauche+ 81.4%, trans 10.6%, gauche- 8.0%
       • Rotameric_state (coordinates): unknown
     • 1:94:LEU, CD1: 24.3 ppm, CD2: 24.3 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:103:LEU, CD1: 24.0 ppm, CD2: 24.0 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.0%, trans 50.0%, gauche- 0.0%
       • Rotameric_state (coordinates): unknown
     • 1:104:ILE, CD1: 12.8 ppm
       • Rotameric_state (pred. by CS): gauche+ 3.0%, trans 60.6%, gauche- 36.4%
       • Rotameric_state (coordinates): unknown
   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: 1