data_5715 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5715 _Entry.Title ; Paramagnetic relaxation enhancements of the amide protons in HHP-tagged thioredoxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-04 _Entry.Accession_date 2003-03-04 _Entry.Last_release_date 2004-03-23 _Entry.Original_release_date 2004-03-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; E. coli Thioredoxin was extended at the N-terminal end with the three amino acids HHP. These three amino acids are capable of binding the paramagnetic Ni(II) ion. Upon addition of the Ni(II) ions to the sample of HHP-Trx a trimer complex is formed (Ni(HHP-Trx)_3). The enhancement of the longitudinal relaxation rates (R1p) of the amide protons caused by the presence of the paramagnetic Ni(II) ion bound to the HHP-tag were measured. These data are deposited here. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Malene Jensen . R. . 5715 2 Connie Lauritzen . . . 5715 3 Soren Dahl . W. . 5715 4 John Pedersen . . . 5715 5 Jens Led . J. . 5715 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_T1_relaxation 1 5715 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 84 5715 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-03-23 2003-03-04 original author . 5715 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5715 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15014231 _Citation.Full_citation . _Citation.Title ; Binding ability of a HHP-tagged protein towards Ni(2+) studied by paramagnetic NMR relaxation: The possibility of obtaining long-range structure information. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 175 _Citation.Page_last 185 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Malene Jensen . R. . 5715 1 2 Connie Lauritzen . . . 5715 1 3 Soren Dahl . W. Sr. 5715 1 4 John Pedersen . . . 5715 1 5 Jens Led . J. . 5715 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HHP-Trx _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HHP-Trx _Assembly.Entry_ID 5715 _Assembly.ID 1 _Assembly.Name 'HHP-tagged E. coli Thioredoxin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic yes _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID trimer 5715 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HHP-Trx unit 1' 1 $HHP-Trx . . . native . . . . . 5715 1 2 'HHP-Trx unit 2' 1 $HHP-Trx . . . native . . . . . 5715 1 3 'HHP-Trx unit 3' 1 $HHP-Trx . . . native . . . . . 5715 1 4 'Nickel ion' 2 $NI . . . native . . . . . 5715 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'HHP-tagged E. coli Thioredoxin' system 5715 1 HHP-Trx abbreviation 5715 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HHP-Trx _Entity.Sf_category entity _Entity.Sf_framecode HHP-Trx _Entity.Entry_ID 5715 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HHP-tagged E. coli Thioredoxin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHPSDKIIHLTDDSFDTDVL KADGAILVDFWAEWCGPCKM IAPILDEIADEYQGKLTVAK LNIDQNPGTAPKYGIRGIPT LLLFKNGEVAATKVGALSKG QLKEFLDANLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17700 . TRX_intact . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 2 no BMRB 1812 . thioredoxin . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 3 no BMRB 1813 . thioredoxin . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 4 no BMRB 62 . thioredoxin . . . . . 97.30 108 99.07 99.07 8.96e-70 . . . . 5715 1 5 no PDB 1F6M . "Crystal Structure Of A Complex Between Thioredoxin Reductase, Thioredoxin, And The Nadp+ Analog, Aadp+" . . . . . 97.30 108 99.07 99.07 1.22e-69 . . . . 5715 1 6 no PDB 1KEB . "Crystal Structure Of Double Mutant M37l,P40s E.Coli Thioredoxin" . . . . . 97.30 108 98.15 99.07 2.82e-69 . . . . 5715 1 7 no PDB 1SKR . "T7 Dna Polymerase Complexed To Dna Primer/template And Ddatp" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 8 no PDB 1SKS . "Binary 3' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A CIS-Syn Thymine Dimer On The Template" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 9 no PDB 1SKW . "Binary 3' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A DISORDERED CIS-Syn Thymine Dimer On The Template" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 10 no PDB 1SL0 . "Ternary 3' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A DISORDERED CIS-Syn Thymine Dimer On The Template" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 11 no PDB 1SL1 . "Binary 5' Complex Of T7 Dna Polymerase With A Dna Primer/template Containing A Cis-syn Thymine Dimer On The Template" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 12 no PDB 1SL2 . "Ternary 5' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A CIS-Syn Thymine Dimer On The Template And An Inc" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 13 no PDB 1T7P . "T7 Dna Polymerase Complexed To Dna PrimerTEMPLATE,A Nucleoside Triphosphate, And Its Processivity Factor Thioredoxin" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 14 no PDB 1T8E . "T7 Dna Polymerase Ternary Complex With Dctp At The Insertion Site." . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 15 no PDB 1THO . "Crystal Structure Of A Mutant Escherichia Coli Thioredoxin With An Arginine Insertion In The Active Site" . . . . . 98.20 109 99.08 99.08 5.01e-69 . . . . 5715 1 16 no PDB 1TK0 . "T7 Dna Polymerase Ternary Complex With 8 Oxo Guanosine And Ddctp At The Insertion Site" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 17 no PDB 1TK5 . "T7 Dna Polymerase Binary Complex With 8 Oxo Guanosine In The Templating Strand" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 18 no PDB 1TK8 . "T7 Dna Polymerase Ternary Complex With 8 Oxo Guanosine And Damp At The Elongation Site" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 19 no PDB 1TKD . "T7 Dna Polymerase Ternary Complex With 8 Oxo Guanosine And Dcmp At The Elongation Site" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 20 no PDB 1TXX . "Active-Site Variant Of E.Coli Thioredoxin" . . . . . 97.30 108 98.15 98.15 5.59e-68 . . . . 5715 1 21 no PDB 1X9M . "T7 Dna Polymerase In Complex With An N-2- Acetylaminofluorene-adducted Dna" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 22 no PDB 1X9S . "T7 Dna Polymerase In Complex With A PrimerTEMPLATE DNA Containing A Disordered N-2 Aminofluorene On The Template, Crystallized " . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 23 no PDB 1X9W . "T7 Dna Polymerase In Complex With A Primer/template Dna Containing A Disordered N-2 Aminofluorene On The Template, Crystallized" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 24 no PDB 1XOA . "Thioredoxin (Oxidized Disulfide Form), Nmr, 20 Structures" . . . . . 96.40 108 100.00 100.00 5.54e-70 . . . . 5715 1 25 no PDB 1XOB . "Thioredoxin (Reduced Dithio Form), Nmr, 20 Structures" . . . . . 96.40 108 100.00 100.00 5.54e-70 . . . . 5715 1 26 no PDB 1ZCP . "Crystal Structure Of A Catalytic Site Mutant E. Coli Trxa (Caca)" . . . . . 97.30 108 97.22 97.22 2.23e-67 . . . . 5715 1 27 no PDB 1ZYQ . "T7 Dna Polymerase In Complex With 8og And Incoming Ddatp" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 28 no PDB 1ZZY . "Crystal Structure Of Thioredoxin Mutant L7v" . . . . . 97.30 108 99.07 100.00 1.82e-70 . . . . 5715 1 29 no PDB 2AJQ . "Structure Of Replicative Dna Polymerase Provides Insigts Into The Mechanisms For Processivity, Frameshifting And Editing" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 30 no PDB 2BTO . "Structure Of Btuba From Prosthecobacter Dejongeii" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 31 no PDB 2EIO . "Design Of Disulfide-Linked Thioredoxin Dimers And Multimers Through Analysis Of Crystal Contacts" . . . . . 97.30 108 99.07 99.07 2.50e-69 . . . . 5715 1 32 no PDB 2EIQ . "Design Of Disulfide-linked Thioredoxin Dimers And Multimers Through Analysis Of Crystal Contacts" . . . . . 97.30 108 99.07 99.07 9.16e-70 . . . . 5715 1 33 no PDB 2EIR . "Design Of Disulfide-Linked Thioredoxin Dimers And Multimers Through Analysis Of Crystal Contacts" . . . . . 97.30 108 98.15 98.15 8.20e-69 . . . . 5715 1 34 no PDB 2FCH . "Crystal Structure Of Thioredoxin Mutant G74s" . . . . . 97.30 108 99.07 99.07 4.46e-70 . . . . 5715 1 35 no PDB 2FD3 . "Crystal Structure Of Thioredoxin Mutant P34h" . . . . . 97.30 108 99.07 99.07 1.65e-69 . . . . 5715 1 36 no PDB 2H6X . "Crystal Structure Of Thioredoxin Wild Type In Hexagonal (P61) Space Group" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 37 no PDB 2H6Y . "Crystal Structure Of Thioredoxin Mutant E48d In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 4.08e-70 . . . . 5715 1 38 no PDB 2H6Z . "Crystal Structure Of Thioredoxin Mutant E44d In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 4.08e-70 . . . . 5715 1 39 no PDB 2H70 . "Crystal Structure Of Thioredoxin Mutant D9e In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 2.47e-70 . . . . 5715 1 40 no PDB 2H71 . "Crystal Structure Of Thioredoxin Mutant D47e In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 2.47e-70 . . . . 5715 1 41 no PDB 2H72 . "Crystal Structure Of Thioredoxin Mutant E85d In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 4.08e-70 . . . . 5715 1 42 no PDB 2H73 . "Crystal Structure Of Thioredoxin Mutant D43e In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 2.47e-70 . . . . 5715 1 43 no PDB 2H74 . "Crystal Structure Of Thioredoxin Mutant D2e In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 2.47e-70 . . . . 5715 1 44 no PDB 2H75 . "Crystal Structure Of Thioredoxin Mutant D13e In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 2.47e-70 . . . . 5715 1 45 no PDB 2H76 . "Crystal Structure Of Thioredoxin Mutant D10e In Hexagonal (P61) Space Group" . . . . . 97.30 108 99.07 100.00 2.47e-70 . . . . 5715 1 46 no PDB 2O8V . "Paps Reductase In A Covalent Complex With Thioredoxin C35a" . . . . . 97.30 128 99.07 99.07 7.75e-70 . . . . 5715 1 47 no PDB 2TIR . "Crystal Structure Analysis Of A Mutant Escherichia Coli Thioredoxin In Which Lysine 36 Is Replaced By Glutamic Acid" . . . . . 97.30 108 99.07 100.00 2.61e-70 . . . . 5715 1 48 no PDB 2TRX . "Crystal Structure Of Thioredoxin From Escherichia Coli At 1.68 Angstroms Resolution" . . . . . 97.30 108 100.00 100.00 7.61e-71 . . . . 5715 1 49 no PDB 3DXB . "Structure Of The Uhm Domain Of Puf60 Fused To Thioredoxin" . . . . . 100.90 222 99.11 99.11 3.44e-72 . . . . 5715 1 50 no PDB 3DYR . "Crystal Structure Of E. Coli Thioredoxin Mutant I76t In Its Oxidized Form" . . . . . 97.30 111 99.07 99.07 3.57e-70 . . . . 5715 1 51 no PDB 4KCA . "Crystal Structure Of Endo-1,5-alpha-l-arabinanase From A Bovine Ruminal Metagenomic Library" . . . . . 97.30 692 100.00 100.00 1.13e-65 . . . . 5715 1 52 no PDB 4KCB . "Crystal Structure Of Exo-1,5-alpha-l-arabinanase From Bovine Ruminal Metagenomic Library" . . . . . 97.30 447 100.00 100.00 6.91e-69 . . . . 5715 1 53 no DBJ BAA00903 . "thioredoxin [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 54 no DBJ BAB38137 . "thioredoxin 1 [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.10 127 98.18 99.09 5.79e-71 . . . . 5715 1 55 no DBJ BAE77517 . "thioredoxin 1 [Escherichia coli str. K-12 substr. W3110]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 56 no DBJ BAG79587 . "thioredoxin [Escherichia coli SE11]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 57 no DBJ BAH61053 . "thioredoxin [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 97.30 113 97.22 98.15 5.04e-69 . . . . 5715 1 58 no EMBL CAA79851 . "thioredoxin [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 59 no EMBL CAD09400 . "thioredoxin [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 60 no EMBL CAP78228 . "Thioredoxin 1 [Escherichia coli LF82]" . . . . . 99.10 144 98.18 99.09 3.58e-71 . . . . 5715 1 61 no EMBL CAQ34125 . "thioredoxin 1 [Escherichia coli BL21(DE3)]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 62 no EMBL CAQ91183 . "thioredoxin 1 [Escherichia fergusonii ATCC 35469]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 63 no GB AAA24533 . "thioredoxin (trxA) [Escherichia coli]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 64 no GB AAA24534 . "thioredoxin [Escherichia coli]" . . . . . 99.10 127 98.18 99.09 5.79e-71 . . . . 5715 1 65 no GB AAA24693 . "thioredoxin [Escherichia coli]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 66 no GB AAA24694 . "thioredoxin (trxA) [Escherichia coli]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 67 no GB AAA24696 . "thioredoxin [Escherichia coli]" . . . . . 98.20 110 99.08 99.08 4.11e-69 . . . . 5715 1 68 no PIR AF0922 . "thioredoxin [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 69 no PIR B91218 . "thioredoxin 1 [imported] - Escherichia coli (strain O157:H7, substrain RIMD 0509952)" . . . . . 99.10 127 98.18 99.09 5.79e-71 . . . . 5715 1 70 no PIR C86064 . "thioredoxin 1 [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 99.10 127 98.18 99.09 5.79e-71 . . . . 5715 1 71 no REF NP_290411 . "thioredoxin [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.10 127 98.18 99.09 5.79e-71 . . . . 5715 1 72 no REF NP_312741 . "thioredoxin [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.10 127 98.18 99.09 5.79e-71 . . . . 5715 1 73 no REF NP_418228 . "thioredoxin 1 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 74 no REF NP_457831 . "thioredoxin [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 75 no REF NP_462806 . "thioredoxin [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 76 no SP P0AA25 . "RecName: Full=Thioredoxin-1; Short=Trx-1 [Escherichia coli K-12]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 77 no SP P0AA26 . "RecName: Full=Thioredoxin-1; Short=Trx-1 [Escherichia coli CFT073]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 78 no SP P0AA27 . "RecName: Full=Thioredoxin-1; Short=Trx-1 [Escherichia coli O157:H7]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 79 no SP P0AA28 . "RecName: Full=Thioredoxin-1; Short=Trx-1 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 80 no SP P0AA29 . "RecName: Full=Thioredoxin-1; Short=Trx-1 [Salmonella enterica subsp. enterica serovar Typhi]" . . . . . 97.30 109 100.00 100.00 7.04e-71 . . . . 5715 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'HHP-tagged E. coli Thioredoxin' common 5715 1 HHP-Trx abbreviation 5715 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HIS . 5715 1 2 . HIS . 5715 1 3 . PRO . 5715 1 4 . SER . 5715 1 5 . ASP . 5715 1 6 . LYS . 5715 1 7 . ILE . 5715 1 8 . ILE . 5715 1 9 . HIS . 5715 1 10 . LEU . 5715 1 11 . THR . 5715 1 12 . ASP . 5715 1 13 . ASP . 5715 1 14 . SER . 5715 1 15 . PHE . 5715 1 16 . ASP . 5715 1 17 . THR . 5715 1 18 . ASP . 5715 1 19 . VAL . 5715 1 20 . LEU . 5715 1 21 . LYS . 5715 1 22 . ALA . 5715 1 23 . ASP . 5715 1 24 . GLY . 5715 1 25 . ALA . 5715 1 26 . ILE . 5715 1 27 . LEU . 5715 1 28 . VAL . 5715 1 29 . ASP . 5715 1 30 . PHE . 5715 1 31 . TRP . 5715 1 32 . ALA . 5715 1 33 . GLU . 5715 1 34 . TRP . 5715 1 35 . CYS . 5715 1 36 . GLY . 5715 1 37 . PRO . 5715 1 38 . CYS . 5715 1 39 . LYS . 5715 1 40 . MET . 5715 1 41 . ILE . 5715 1 42 . ALA . 5715 1 43 . PRO . 5715 1 44 . ILE . 5715 1 45 . LEU . 5715 1 46 . ASP . 5715 1 47 . GLU . 5715 1 48 . ILE . 5715 1 49 . ALA . 5715 1 50 . ASP . 5715 1 51 . GLU . 5715 1 52 . TYR . 5715 1 53 . GLN . 5715 1 54 . GLY . 5715 1 55 . LYS . 5715 1 56 . LEU . 5715 1 57 . THR . 5715 1 58 . VAL . 5715 1 59 . ALA . 5715 1 60 . LYS . 5715 1 61 . LEU . 5715 1 62 . ASN . 5715 1 63 . ILE . 5715 1 64 . ASP . 5715 1 65 . GLN . 5715 1 66 . ASN . 5715 1 67 . PRO . 5715 1 68 . GLY . 5715 1 69 . THR . 5715 1 70 . ALA . 5715 1 71 . PRO . 5715 1 72 . LYS . 5715 1 73 . TYR . 5715 1 74 . GLY . 5715 1 75 . ILE . 5715 1 76 . ARG . 5715 1 77 . GLY . 5715 1 78 . ILE . 5715 1 79 . PRO . 5715 1 80 . THR . 5715 1 81 . LEU . 5715 1 82 . LEU . 5715 1 83 . LEU . 5715 1 84 . PHE . 5715 1 85 . LYS . 5715 1 86 . ASN . 5715 1 87 . GLY . 5715 1 88 . GLU . 5715 1 89 . VAL . 5715 1 90 . ALA . 5715 1 91 . ALA . 5715 1 92 . THR . 5715 1 93 . LYS . 5715 1 94 . VAL . 5715 1 95 . GLY . 5715 1 96 . ALA . 5715 1 97 . LEU . 5715 1 98 . SER . 5715 1 99 . LYS . 5715 1 100 . GLY . 5715 1 101 . GLN . 5715 1 102 . LEU . 5715 1 103 . LYS . 5715 1 104 . GLU . 5715 1 105 . PHE . 5715 1 106 . LEU . 5715 1 107 . ASP . 5715 1 108 . ALA . 5715 1 109 . ASN . 5715 1 110 . LEU . 5715 1 111 . ALA . 5715 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . HIS 1 1 5715 1 . HIS 2 2 5715 1 . PRO 3 3 5715 1 . SER 4 4 5715 1 . ASP 5 5 5715 1 . LYS 6 6 5715 1 . ILE 7 7 5715 1 . ILE 8 8 5715 1 . HIS 9 9 5715 1 . LEU 10 10 5715 1 . THR 11 11 5715 1 . ASP 12 12 5715 1 . ASP 13 13 5715 1 . SER 14 14 5715 1 . PHE 15 15 5715 1 . ASP 16 16 5715 1 . THR 17 17 5715 1 . ASP 18 18 5715 1 . VAL 19 19 5715 1 . LEU 20 20 5715 1 . LYS 21 21 5715 1 . ALA 22 22 5715 1 . ASP 23 23 5715 1 . GLY 24 24 5715 1 . ALA 25 25 5715 1 . ILE 26 26 5715 1 . LEU 27 27 5715 1 . VAL 28 28 5715 1 . ASP 29 29 5715 1 . PHE 30 30 5715 1 . TRP 31 31 5715 1 . ALA 32 32 5715 1 . GLU 33 33 5715 1 . TRP 34 34 5715 1 . CYS 35 35 5715 1 . GLY 36 36 5715 1 . PRO 37 37 5715 1 . CYS 38 38 5715 1 . LYS 39 39 5715 1 . MET 40 40 5715 1 . ILE 41 41 5715 1 . ALA 42 42 5715 1 . PRO 43 43 5715 1 . ILE 44 44 5715 1 . LEU 45 45 5715 1 . ASP 46 46 5715 1 . GLU 47 47 5715 1 . ILE 48 48 5715 1 . ALA 49 49 5715 1 . ASP 50 50 5715 1 . GLU 51 51 5715 1 . TYR 52 52 5715 1 . GLN 53 53 5715 1 . GLY 54 54 5715 1 . LYS 55 55 5715 1 . LEU 56 56 5715 1 . THR 57 57 5715 1 . VAL 58 58 5715 1 . ALA 59 59 5715 1 . LYS 60 60 5715 1 . LEU 61 61 5715 1 . ASN 62 62 5715 1 . ILE 63 63 5715 1 . ASP 64 64 5715 1 . GLN 65 65 5715 1 . ASN 66 66 5715 1 . PRO 67 67 5715 1 . GLY 68 68 5715 1 . THR 69 69 5715 1 . ALA 70 70 5715 1 . PRO 71 71 5715 1 . LYS 72 72 5715 1 . TYR 73 73 5715 1 . GLY 74 74 5715 1 . ILE 75 75 5715 1 . ARG 76 76 5715 1 . GLY 77 77 5715 1 . ILE 78 78 5715 1 . PRO 79 79 5715 1 . THR 80 80 5715 1 . LEU 81 81 5715 1 . LEU 82 82 5715 1 . LEU 83 83 5715 1 . PHE 84 84 5715 1 . LYS 85 85 5715 1 . ASN 86 86 5715 1 . GLY 87 87 5715 1 . GLU 88 88 5715 1 . VAL 89 89 5715 1 . ALA 90 90 5715 1 . ALA 91 91 5715 1 . THR 92 92 5715 1 . LYS 93 93 5715 1 . VAL 94 94 5715 1 . GLY 95 95 5715 1 . ALA 96 96 5715 1 . LEU 97 97 5715 1 . SER 98 98 5715 1 . LYS 99 99 5715 1 . GLY 100 100 5715 1 . GLN 101 101 5715 1 . LEU 102 102 5715 1 . LYS 103 103 5715 1 . GLU 104 104 5715 1 . PHE 105 105 5715 1 . LEU 106 106 5715 1 . ASP 107 107 5715 1 . ALA 108 108 5715 1 . ASN 109 109 5715 1 . LEU 110 110 5715 1 . ALA 111 111 5715 1 stop_ save_ save_NI _Entity.Sf_category entity _Entity.Sf_framecode NI _Entity.Entry_ID 5715 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NI _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID NI _Entity.Nonpolymer_comp_label $chem_comp_NI _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . NI . 5715 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5715 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HHP-Trx . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5715 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5715 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HHP-Trx . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5715 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NI _Chem_comp.Entry_ID 5715 _Chem_comp.ID NI _Chem_comp.Provenance . _Chem_comp.Name 'NICKEL (II) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NI _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NI _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ni _Chem_comp.Formula_weight 58.693 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 13:12:39 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Ni/q+2 InChI InChI 1.03 5715 NI [Ni++] SMILES CACTVS 3.341 5715 NI [Ni++] SMILES_CANONICAL CACTVS 3.341 5715 NI [Ni+2] SMILES ACDLabs 10.04 5715 NI [Ni+2] SMILES 'OpenEye OEToolkits' 1.5.0 5715 NI [Ni+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5715 NI VEQPNABPJHWNSG-UHFFFAOYSA-N InChIKey InChI 1.03 5715 NI stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID nickel(2+) 'SYSTEMATIC NAME' ACDLabs 10.04 5715 NI 'nickel(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5715 NI stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID NI . NI . . NI . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5715 NI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5715 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; A titration of the sample with the paramagnetic Ni(II) was performed. The Ni(II) concentration was increased from 0.0mM to 1.0mM in steps of 0.1mM. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5715 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 2 2 'Nickel ion' . . . 2 $NI . . 0.1 . . mM . . . . 5715 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5715 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 3 2 'Nickel ion' . . . 2 $NI . . 0.2 . . mM . . . . 5715 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5715 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 4 2 'Nickel ion' . . . 2 $NI . . 0.3 . . mM . . . . 5715 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 5715 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 5 2 'Nickel ion' . . . 2 $NI . . 0.4 . . mM . . . . 5715 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 5715 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 6 2 'Nickel ion' . . . 2 $NI . . 0.5 . . mM . . . . 5715 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 5715 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 7 2 'Nickel ion' . . . 2 $NI . . 0.6 . . mM . . . . 5715 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 5715 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 8 2 'Nickel ion' . . . 2 $NI . . 0.7 . . mM . . . . 5715 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 5715 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 9 2 'Nickel ion' . . . 2 $NI . . 0.8 . . mM . . . . 5715 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 5715 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 10 2 'Nickel ion' . . . 2 $NI . . 0.9 . . mM . . . . 5715 10 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 5715 _Sample.ID 11 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HHP-tagged E. coli Thioredoxin' [U-15N] . . 1 $HHP-Trx . . 1.0 . . mM . . . . 5715 11 2 'Nickel ion' . . . 2 $NI . . 1.0 . . mM . . . . 5715 11 stop_ save_ ####################### # Sample conditions # ####################### save_Condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Condition_1 _Sample_condition_list.Entry_ID 5715 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 n/a 5715 1 temperature 298 0.1 K 5715 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5715 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5715 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Inova . 500 . . . 5715 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5715 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'Inversion recovery 1H-15N HSQC experiments' . 1 $NMR_applied_experiment . . . . . . . . . . . . . 1 $Condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5715 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 5715 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'Inversion recovery 1H-15N HSQC experiments' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_500 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_500 _Heteronucl_T1_list.Entry_ID 5715 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $Condition_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 5715 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 9 9 HIS H H 1 5.087 0.440 . . . . . 5715 1 2 . 1 1 10 10 LEU H H 1 1.786 0.127 . . . . . 5715 1 3 . 1 1 11 11 THR H H 1 1.366 0.172 . . . . . 5715 1 4 . 1 1 12 12 ASP H H 1 0.506 0.046 . . . . . 5715 1 5 . 1 1 13 13 ASP H H 1 0.786 0.127 . . . . . 5715 1 6 . 1 1 14 14 SER H H 1 1.039 0.119 . . . . . 5715 1 7 . 1 1 15 15 PHE H H 1 0.562 0.100 . . . . . 5715 1 8 . 1 1 16 16 ASP H H 1 0.524 0.095 . . . . . 5715 1 9 . 1 1 17 17 THR H H 1 1.113 0.142 . . . . . 5715 1 10 . 1 1 18 18 ASP H H 1 2.072 0.200 . . . . . 5715 1 11 . 1 1 19 19 VAL H H 1 1.124 0.140 . . . . . 5715 1 12 . 1 1 20 20 LEU H H 1 0.631 0.066 . . . . . 5715 1 13 . 1 1 21 21 LYS H H 1 0.869 0.079 . . . . . 5715 1 14 . 1 1 22 22 ALA H H 1 1.398 0.206 . . . . . 5715 1 15 . 1 1 23 23 ASP H H 1 2.790 0.066 . . . . . 5715 1 16 . 1 1 24 24 GLY H H 1 1.881 0.218 . . . . . 5715 1 17 . 1 1 25 25 ALA H H 1 2.175 0.114 . . . . . 5715 1 18 . 1 1 26 26 ILE H H 1 0.697 0.051 . . . . . 5715 1 19 . 1 1 27 27 LEU H H 1 1.154 0.067 . . . . . 5715 1 20 . 1 1 28 28 VAL H H 1 0.419 0.102 . . . . . 5715 1 21 . 1 1 29 29 ASP H H 1 2.868 0.491 . . . . . 5715 1 22 . 1 1 30 30 PHE H H 1 0.397 0.158 . . . . . 5715 1 23 . 1 1 31 31 TRP H H 1 0.510 0.039 . . . . . 5715 1 24 . 1 1 32 32 ALA H H 1 0.521 0.098 . . . . . 5715 1 25 . 1 1 33 33 GLU H H 1 0.793 0.234 . . . . . 5715 1 26 . 1 1 34 34 TRP H H 1 0.307 0.138 . . . . . 5715 1 27 . 1 1 35 35 CYS H H 1 0.419 0.095 . . . . . 5715 1 28 . 1 1 38 38 CYS H H 1 0.817 0.086 . . . . . 5715 1 29 . 1 1 39 39 LYS H H 1 0.888 0.139 . . . . . 5715 1 30 . 1 1 40 40 MET H H 1 0.777 0.120 . . . . . 5715 1 31 . 1 1 41 41 ILE H H 1 0.978 0.279 . . . . . 5715 1 32 . 1 1 42 42 ALA H H 1 3.256 0.141 . . . . . 5715 1 33 . 1 1 44 44 ILE H H 1 7.156 0.389 . . . . . 5715 1 34 . 1 1 45 45 LEU H H 1 2.637 0.458 . . . . . 5715 1 35 . 1 1 50 50 ASP H H 1 14.976 1.193 . . . . . 5715 1 36 . 1 1 51 51 GLU H H 1 5.109 0.368 . . . . . 5715 1 37 . 1 1 52 52 TYR H H 1 1.911 0.068 . . . . . 5715 1 38 . 1 1 53 53 GLN H H 1 2.959 0.038 . . . . . 5715 1 39 . 1 1 55 55 LYS H H 1 1.892 0.052 . . . . . 5715 1 40 . 1 1 56 56 LEU H H 1 2.844 0.013 . . . . . 5715 1 41 . 1 1 57 57 THR H H 1 3.829 0.284 . . . . . 5715 1 42 . 1 1 58 58 VAL H H 1 4.082 0.483 . . . . . 5715 1 43 . 1 1 59 59 ALA H H 1 1.495 0.170 . . . . . 5715 1 44 . 1 1 60 60 LYS H H 1 1.938 0.108 . . . . . 5715 1 45 . 1 1 61 61 LEU H H 1 0.791 0.115 . . . . . 5715 1 46 . 1 1 62 62 ASN H H 1 0.780 0.154 . . . . . 5715 1 47 . 1 1 63 63 ILE H H 1 0.411 0.080 . . . . . 5715 1 48 . 1 1 64 64 ASP H H 1 0.296 0.017 . . . . . 5715 1 49 . 1 1 65 65 GLN H H 1 0.334 0.104 . . . . . 5715 1 50 . 1 1 66 66 ASN H H 1 0.288 0.015 . . . . . 5715 1 51 . 1 1 69 69 THR H H 1 0.086 0.059 . . . . . 5715 1 52 . 1 1 70 70 ALA H H 1 0.102 0.025 . . . . . 5715 1 53 . 1 1 72 72 LYS H H 1 0.060 0.003 . . . . . 5715 1 54 . 1 1 73 73 TYR H H 1 0.080 0.007 . . . . . 5715 1 55 . 1 1 75 75 ILE H H 1 0.035 0.044 . . . . . 5715 1 56 . 1 1 78 78 ILE H H 1 0.196 0.060 . . . . . 5715 1 57 . 1 1 80 80 THR H H 1 0.480 0.168 . . . . . 5715 1 58 . 1 1 81 81 LEU H H 1 0.273 0.035 . . . . . 5715 1 59 . 1 1 82 82 LEU H H 1 0.264 0.056 . . . . . 5715 1 60 . 1 1 83 83 LEU H H 1 0.414 0.011 . . . . . 5715 1 61 . 1 1 84 84 PHE H H 1 0.358 0.066 . . . . . 5715 1 62 . 1 1 85 85 LYS H H 1 0.211 0.019 . . . . . 5715 1 63 . 1 1 86 86 ASN H H 1 0.680 0.176 . . . . . 5715 1 64 . 1 1 87 87 GLY H H 1 0.356 0.055 . . . . . 5715 1 65 . 1 1 88 88 GLU H H 1 0.267 0.017 . . . . . 5715 1 66 . 1 1 89 89 VAL H H 1 0.104 0.066 . . . . . 5715 1 67 . 1 1 90 90 ALA H H 1 0.139 0.061 . . . . . 5715 1 68 . 1 1 91 91 ALA H H 1 0.186 0.037 . . . . . 5715 1 69 . 1 1 92 92 THR H H 1 0.254 0.037 . . . . . 5715 1 70 . 1 1 93 93 LYS H H 1 0.183 0.059 . . . . . 5715 1 71 . 1 1 95 95 GLY H H 1 0.366 0.066 . . . . . 5715 1 72 . 1 1 96 96 ALA H H 1 0.691 0.149 . . . . . 5715 1 73 . 1 1 97 97 LEU H H 1 0.181 0.142 . . . . . 5715 1 74 . 1 1 99 99 LYS H H 1 1.493 0.131 . . . . . 5715 1 75 . 1 1 101 101 GLN H H 1 0.484 0.050 . . . . . 5715 1 76 . 1 1 102 102 LEU H H 1 0.485 0.045 . . . . . 5715 1 77 . 1 1 103 103 LYS H H 1 0.348 0.032 . . . . . 5715 1 78 . 1 1 104 104 GLU H H 1 0.152 0.063 . . . . . 5715 1 79 . 1 1 105 105 PHE H H 1 0.184 0.034 . . . . . 5715 1 80 . 1 1 106 106 LEU H H 1 0.270 0.060 . . . . . 5715 1 81 . 1 1 107 107 ASP H H 1 0.338 0.010 . . . . . 5715 1 82 . 1 1 108 108 ALA H H 1 0.195 0.030 . . . . . 5715 1 83 . 1 1 109 109 ASN H H 1 0.153 0.007 . . . . . 5715 1 84 . 1 1 110 110 LEU H H 1 0.304 0.058 . . . . . 5715 1 stop_ save_