data_53710 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53710 _Entry.Title ; R1, R2, HetNOE of HBx(1-120) in 190 mM Urea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-04-07 _Entry.Accession_date 2026-04-07 _Entry.Last_release_date 2026-04-16 _Entry.Original_release_date 2026-04-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; This dataset covers the 15N relaxation rates (R1, R2, HetNOE) of the short isoform of the HBx protein (residues 1-120) in the buffer 190 mM Urea, 125 mM L-arginine, 150 mM NaCl, 50 mM HEPES. ; _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.ORCID _Entry_author.Entry_ID 1 Alexis Clavier . . . . 53710 2 Toshinobu Shida . . . . 53710 3 Maxim Dromer . A. . . 53710 4 Julian Holzinger . . . . 53710 5 Anne Schutz . K. . . 53710 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 53710 heteronucl_T1_relaxation 2 53710 heteronucl_T2_relaxation 2 53710 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 207 53710 'T2 relaxation values' 206 53710 'heteronuclear NOE values' 207 53710 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 . . 2026-05-26 . original BMRB . 53710 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53376 'Backbone assignment' 53710 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53710 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42185260 _Citation.DOI 10.1038/s41467-026-72986-5 _Citation.Full_citation . _Citation.Title ; HBV HBx protein masks epigenetic reader Spindlin1 via an inter-molecular zinc finger to subvert transcriptional control ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2026 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexis Clavier . . . . 53710 1 2 Toshinobu Shida . . . . 53710 1 3 Maxim Dromer . A. . . 53710 1 4 Julian Holzinger . . . . 53710 1 5 Anne Schutz . K. . . 53710 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HBV 53710 1 HBx 53710 1 IDP 53710 1 'Solution-state NMR' 53710 1 'non structural viral protein' 53710 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53710 _Assembly.ID 1 _Assembly.Name 'HBx isoform 1-120' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'HBx 1-120' 1 $entity_1 . . yes native no no . . . 53710 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53710 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MAARLCCQLDPARDVLCLRP VGAESCGRPFSGSLGTLSSP SPSAVPTDHGAHLSLRGLPV CAFSSAGPCALRFTSARRME TTVNAHQILPKVLHKRTLGL SAMSTTDLEAYFKDCLFKDW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-120 _Entity.Polymer_author_seq_details 'short isoform HBx genotype D' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'R26C, natural variant' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Multifunctional protein that plays a role in silencing host antiviral defenses and promoting viral transcription. Does not seem to be essential for HBV infection. May be directly involved in development of cirrhosis and liver cancer (hepatocellular carcinoma). ; 53710 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 . MET . 53710 1 2 . ALA . 53710 1 3 . ALA . 53710 1 4 . ARG . 53710 1 5 . LEU . 53710 1 6 . CYS . 53710 1 7 . CYS . 53710 1 8 . GLN . 53710 1 9 . LEU . 53710 1 10 . ASP . 53710 1 11 . PRO . 53710 1 12 . ALA . 53710 1 13 . ARG . 53710 1 14 . ASP . 53710 1 15 . VAL . 53710 1 16 . LEU . 53710 1 17 . CYS . 53710 1 18 . LEU . 53710 1 19 . ARG . 53710 1 20 . PRO . 53710 1 21 . VAL . 53710 1 22 . GLY . 53710 1 23 . ALA . 53710 1 24 . GLU . 53710 1 25 . SER . 53710 1 26 . CYS . 53710 1 27 . GLY . 53710 1 28 . ARG . 53710 1 29 . PRO . 53710 1 30 . PHE . 53710 1 31 . SER . 53710 1 32 . GLY . 53710 1 33 . SER . 53710 1 34 . LEU . 53710 1 35 . GLY . 53710 1 36 . THR . 53710 1 37 . LEU . 53710 1 38 . SER . 53710 1 39 . SER . 53710 1 40 . PRO . 53710 1 41 . SER . 53710 1 42 . PRO . 53710 1 43 . SER . 53710 1 44 . ALA . 53710 1 45 . VAL . 53710 1 46 . PRO . 53710 1 47 . THR . 53710 1 48 . ASP . 53710 1 49 . HIS . 53710 1 50 . GLY . 53710 1 51 . ALA . 53710 1 52 . HIS . 53710 1 53 . LEU . 53710 1 54 . SER . 53710 1 55 . LEU . 53710 1 56 . ARG . 53710 1 57 . GLY . 53710 1 58 . LEU . 53710 1 59 . PRO . 53710 1 60 . VAL . 53710 1 61 . CYS . 53710 1 62 . ALA . 53710 1 63 . PHE . 53710 1 64 . SER . 53710 1 65 . SER . 53710 1 66 . ALA . 53710 1 67 . GLY . 53710 1 68 . PRO . 53710 1 69 . CYS . 53710 1 70 . ALA . 53710 1 71 . LEU . 53710 1 72 . ARG . 53710 1 73 . PHE . 53710 1 74 . THR . 53710 1 75 . SER . 53710 1 76 . ALA . 53710 1 77 . ARG . 53710 1 78 . ARG . 53710 1 79 . MET . 53710 1 80 . GLU . 53710 1 81 . THR . 53710 1 82 . THR . 53710 1 83 . VAL . 53710 1 84 . ASN . 53710 1 85 . ALA . 53710 1 86 . HIS . 53710 1 87 . GLN . 53710 1 88 . ILE . 53710 1 89 . LEU . 53710 1 90 . PRO . 53710 1 91 . LYS . 53710 1 92 . VAL . 53710 1 93 . LEU . 53710 1 94 . HIS . 53710 1 95 . LYS . 53710 1 96 . ARG . 53710 1 97 . THR . 53710 1 98 . LEU . 53710 1 99 . GLY . 53710 1 100 . LEU . 53710 1 101 . SER . 53710 1 102 . ALA . 53710 1 103 . MET . 53710 1 104 . SER . 53710 1 105 . THR . 53710 1 106 . THR . 53710 1 107 . ASP . 53710 1 108 . LEU . 53710 1 109 . GLU . 53710 1 110 . ALA . 53710 1 111 . TYR . 53710 1 112 . PHE . 53710 1 113 . LYS . 53710 1 114 . ASP . 53710 1 115 . CYS . 53710 1 116 . LEU . 53710 1 117 . PHE . 53710 1 118 . LYS . 53710 1 119 . ASP . 53710 1 120 . TRP . 53710 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 . MET 1 1 53710 1 . ALA 2 2 53710 1 . ALA 3 3 53710 1 . ARG 4 4 53710 1 . LEU 5 5 53710 1 . CYS 6 6 53710 1 . CYS 7 7 53710 1 . GLN 8 8 53710 1 . LEU 9 9 53710 1 . ASP 10 10 53710 1 . PRO 11 11 53710 1 . ALA 12 12 53710 1 . ARG 13 13 53710 1 . ASP 14 14 53710 1 . VAL 15 15 53710 1 . LEU 16 16 53710 1 . CYS 17 17 53710 1 . LEU 18 18 53710 1 . ARG 19 19 53710 1 . PRO 20 20 53710 1 . VAL 21 21 53710 1 . GLY 22 22 53710 1 . ALA 23 23 53710 1 . GLU 24 24 53710 1 . SER 25 25 53710 1 . CYS 26 26 53710 1 . GLY 27 27 53710 1 . ARG 28 28 53710 1 . PRO 29 29 53710 1 . PHE 30 30 53710 1 . SER 31 31 53710 1 . GLY 32 32 53710 1 . SER 33 33 53710 1 . LEU 34 34 53710 1 . GLY 35 35 53710 1 . THR 36 36 53710 1 . LEU 37 37 53710 1 . SER 38 38 53710 1 . SER 39 39 53710 1 . PRO 40 40 53710 1 . SER 41 41 53710 1 . PRO 42 42 53710 1 . SER 43 43 53710 1 . ALA 44 44 53710 1 . VAL 45 45 53710 1 . PRO 46 46 53710 1 . THR 47 47 53710 1 . ASP 48 48 53710 1 . HIS 49 49 53710 1 . GLY 50 50 53710 1 . ALA 51 51 53710 1 . HIS 52 52 53710 1 . LEU 53 53 53710 1 . SER 54 54 53710 1 . LEU 55 55 53710 1 . ARG 56 56 53710 1 . GLY 57 57 53710 1 . LEU 58 58 53710 1 . PRO 59 59 53710 1 . VAL 60 60 53710 1 . CYS 61 61 53710 1 . ALA 62 62 53710 1 . PHE 63 63 53710 1 . SER 64 64 53710 1 . SER 65 65 53710 1 . ALA 66 66 53710 1 . GLY 67 67 53710 1 . PRO 68 68 53710 1 . CYS 69 69 53710 1 . ALA 70 70 53710 1 . LEU 71 71 53710 1 . ARG 72 72 53710 1 . PHE 73 73 53710 1 . THR 74 74 53710 1 . SER 75 75 53710 1 . ALA 76 76 53710 1 . ARG 77 77 53710 1 . ARG 78 78 53710 1 . MET 79 79 53710 1 . GLU 80 80 53710 1 . THR 81 81 53710 1 . THR 82 82 53710 1 . VAL 83 83 53710 1 . ASN 84 84 53710 1 . ALA 85 85 53710 1 . HIS 86 86 53710 1 . GLN 87 87 53710 1 . ILE 88 88 53710 1 . LEU 89 89 53710 1 . PRO 90 90 53710 1 . LYS 91 91 53710 1 . VAL 92 92 53710 1 . LEU 93 93 53710 1 . HIS 94 94 53710 1 . LYS 95 95 53710 1 . ARG 96 96 53710 1 . THR 97 97 53710 1 . LEU 98 98 53710 1 . GLY 99 99 53710 1 . LEU 100 100 53710 1 . SER 101 101 53710 1 . ALA 102 102 53710 1 . MET 103 103 53710 1 . SER 104 104 53710 1 . THR 105 105 53710 1 . THR 106 106 53710 1 . ASP 107 107 53710 1 . LEU 108 108 53710 1 . GLU 109 109 53710 1 . ALA 110 110 53710 1 . TYR 111 111 53710 1 . PHE 112 112 53710 1 . LYS 113 113 53710 1 . ASP 114 114 53710 1 . CYS 115 115 53710 1 . LEU 116 116 53710 1 . PHE 117 117 53710 1 . LYS 118 118 53710 1 . ASP 119 119 53710 1 . TRP 120 120 53710 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53710 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10407 virus . 'hepatitis B' 'hepatitis B' . . Viruses . Orthohepadnavirus 'hepatitis B' . 'Genotype D' . . . . . . . . . . . 53710 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53710 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pet28a(+) . . . 53710 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53710 _Sample.ID 1 _Sample.Name HBx_1_120 _Sample.Type solution _Sample.Sub_type . _Sample.Details '190 mM Urea, 125 mM L-arginine, 150 mM NaCl, 50 mM HEPES, pH 7.4' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _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 'HBx isoform 1-120' '[U-98% 15N]' . . 1 $entity_1 . . 50 . . uM . . . . 53710 1 2 urea 'natural abundance' . . . . . . 190 . . mM . . . . 53710 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 53710 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 53710 1 5 L-arginine 'natural abundance' . . . . . . 125 . . mM . . . . 53710 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53710 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Urea buffer' _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 7.4 . pH 53710 1 temperature 277 . K 53710 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53710 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 'CcpNmr AnalysisAssign (3.3.2.3)' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53710 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53710 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 11.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53710 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53710 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53710 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '1.2 GHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 1200 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53710 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53710 1 2 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53710 1 3 '1H-15N heteronoe' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53710 1 4 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53710 1 5 'T2/R2 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53710 1 6 '1H-15N heteronoe' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53710 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 53710 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name HetNoe_800 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H-15N heteronoe' . . . 53710 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 53710 1 2 $software_2 . . 53710 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.321 0.064 . . . . . . . . . . 53710 1 2 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.418 0.068 . . . . . . . . . . 53710 1 3 . 1 1 7 7 CYS N N 15 . 1 1 7 7 CYS H H 1 0.399 0.119 . . . . . . . . . . 53710 1 4 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.262 0.107 . . . . . . . . . . 53710 1 5 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.459 0.060 . . . . . . . . . . 53710 1 6 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.443 0.041 . . . . . . . . . . 53710 1 7 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.456 0.037 . . . . . . . . . . 53710 1 8 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.807 0.072 . . . . . . . . . . 53710 1 9 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.574 0.047 . . . . . . . . . . 53710 1 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.566 0.060 . . . . . . . . . . 53710 1 11 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.527 0.042 . . . . . . . . . . 53710 1 12 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.524 0.051 . . . . . . . . . . 53710 1 13 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.391 0.111 . . . . . . . . . . 53710 1 14 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.478 0.053 . . . . . . . . . . 53710 1 15 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.466 0.036 . . . . . . . . . . 53710 1 16 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.447 0.045 . . . . . . . . . . 53710 1 17 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.566 0.042 . . . . . . . . . . 53710 1 18 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.350 0.035 . . . . . . . . . . 53710 1 19 . 1 1 25 25 SER N N 15 . 1 1 25 25 SER H H 1 0.451 0.061 . . . . . . . . . . 53710 1 20 . 1 1 26 26 CYS N N 15 . 1 1 26 26 CYS H H 1 0.462 0.087 . . . . . . . . . . 53710 1 21 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.661 0.115 . . . . . . . . . . 53710 1 22 . 1 1 28 28 ARG N N 15 . 1 1 28 28 ARG H H 1 0.413 0.034 . . . . . . . . . . 53710 1 23 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.515 0.038 . . . . . . . . . . 53710 1 24 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.638 0.100 . . . . . . . . . . 53710 1 25 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.482 0.069 . . . . . . . . . . 53710 1 26 . 1 1 33 33 SER N N 15 . 1 1 33 33 SER H H 1 0.474 0.059 . . . . . . . . . . 53710 1 27 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.465 0.035 . . . . . . . . . . 53710 1 28 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.423 0.026 . . . . . . . . . . 53710 1 29 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.422 0.038 . . . . . . . . . . 53710 1 30 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.392 0.031 . . . . . . . . . . 53710 1 31 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.351 0.036 . . . . . . . . . . 53710 1 32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.307 0.055 . . . . . . . . . . 53710 1 33 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.258 0.038 . . . . . . . . . . 53710 1 34 . 1 1 43 43 SER N N 15 . 1 1 43 43 SER H H 1 0.426 0.048 . . . . . . . . . . 53710 1 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.364 0.037 . . . . . . . . . . 53710 1 36 . 1 1 45 45 VAL N N 15 . 1 1 45 45 VAL H H 1 0.318 0.098 . . . . . . . . . . 53710 1 37 . 1 1 47 47 THR N N 15 . 1 1 47 47 THR H H 1 0.451 0.035 . . . . . . . . . . 53710 1 38 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.475 0.033 . . . . . . . . . . 53710 1 39 . 1 1 49 49 HIS N N 15 . 1 1 49 49 HIS H H 1 0.487 0.052 . . . . . . . . . . 53710 1 40 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.495 0.037 . . . . . . . . . . 53710 1 41 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.563 0.033 . . . . . . . . . . 53710 1 42 . 1 1 52 52 HIS N N 15 . 1 1 52 52 HIS H H 1 0.508 0.046 . . . . . . . . . . 53710 1 43 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.610 0.050 . . . . . . . . . . 53710 1 44 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.534 0.049 . . . . . . . . . . 53710 1 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.594 0.055 . . . . . . . . . . 53710 1 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.531 0.055 . . . . . . . . . . 53710 1 47 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.503 0.062 . . . . . . . . . . 53710 1 48 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.708 0.067 . . . . . . . . . . 53710 1 49 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.412 0.046 . . . . . . . . . . 53710 1 50 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.813 0.153 . . . . . . . . . . 53710 1 51 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.767 0.123 . . . . . . . . . . 53710 1 52 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.446 0.090 . . . . . . . . . . 53710 1 53 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.581 0.087 . . . . . . . . . . 53710 1 54 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.391 0.082 . . . . . . . . . . 53710 1 55 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.422 0.061 . . . . . . . . . . 53710 1 56 . 1 1 69 69 CYS N N 15 . 1 1 69 69 CYS H H 1 0.538 0.122 . . . . . . . . . . 53710 1 57 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.409 0.072 . . . . . . . . . . 53710 1 58 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.614 0.083 . . . . . . . . . . 53710 1 59 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.405 0.101 . . . . . . . . . . 53710 1 60 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.238 0.188 . . . . . . . . . . 53710 1 61 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.508 0.046 . . . . . . . . . . 53710 1 62 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.419 0.096 . . . . . . . . . . 53710 1 63 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.513 0.050 . . . . . . . . . . 53710 1 64 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.377 0.140 . . . . . . . . . . 53710 1 65 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.718 0.141 . . . . . . . . . . 53710 1 66 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.455 0.082 . . . . . . . . . . 53710 1 67 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.454 0.087 . . . . . . . . . . 53710 1 68 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.580 0.121 . . . . . . . . . . 53710 1 69 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.507 0.057 . . . . . . . . . . 53710 1 70 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.434 0.085 . . . . . . . . . . 53710 1 71 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.359 0.149 . . . . . . . . . . 53710 1 72 . 1 1 86 86 HIS N N 15 . 1 1 86 86 HIS H H 1 0.529 0.065 . . . . . . . . . . 53710 1 73 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.490 0.143 . . . . . . . . . . 53710 1 74 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.450 0.046 . . . . . . . . . . 53710 1 75 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.541 0.092 . . . . . . . . . . 53710 1 76 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.614 0.067 . . . . . . . . . . 53710 1 77 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.583 0.129 . . . . . . . . . . 53710 1 78 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.543 0.091 . . . . . . . . . . 53710 1 79 . 1 1 94 94 HIS N N 15 . 1 1 94 94 HIS H H 1 0.569 0.107 . . . . . . . . . . 53710 1 80 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.744 0.072 . . . . . . . . . . 53710 1 81 . 1 1 96 96 ARG N N 15 . 1 1 96 96 ARG H H 1 0.488 0.110 . . . . . . . . . . 53710 1 82 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.494 0.083 . . . . . . . . . . 53710 1 83 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.582 0.066 . . . . . . . . . . 53710 1 84 . 1 1 99 99 GLY N N 15 . 1 1 99 99 GLY H H 1 0.430 0.110 . . . . . . . . . . 53710 1 85 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.504 0.036 . . . . . . . . . . 53710 1 86 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.477 0.123 . . . . . . . . . . 53710 1 87 . 1 1 103 103 MET N N 15 . 1 1 103 103 MET H H 1 0.527 0.087 . . . . . . . . . . 53710 1 88 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 0.523 0.141 . . . . . . . . . . 53710 1 89 . 1 1 105 105 THR N N 15 . 1 1 105 105 THR H H 1 0.502 0.085 . . . . . . . . . . 53710 1 90 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.740 0.078 . . . . . . . . . . 53710 1 91 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.854 0.142 . . . . . . . . . . 53710 1 92 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 1.000 0.107 . . . . . . . . . . 53710 1 93 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.645 0.099 . . . . . . . . . . 53710 1 94 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.738 0.088 . . . . . . . . . . 53710 1 95 . 1 1 112 112 PHE N N 15 . 1 1 112 112 PHE H H 1 0.821 0.079 . . . . . . . . . . 53710 1 96 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.659 0.088 . . . . . . . . . . 53710 1 97 . 1 1 114 114 ASP N N 15 . 1 1 114 114 ASP H H 1 0.763 0.109 . . . . . . . . . . 53710 1 98 . 1 1 115 115 CYS N N 15 . 1 1 115 115 CYS H H 1 0.775 0.127 . . . . . . . . . . 53710 1 99 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.631 0.147 . . . . . . . . . . 53710 1 100 . 1 1 117 117 PHE N N 15 . 1 1 117 117 PHE H H 1 0.759 0.097 . . . . . . . . . . 53710 1 101 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.610 0.098 . . . . . . . . . . 53710 1 102 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.683 0.094 . . . . . . . . . . 53710 1 103 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.345 0.053 . . . . . . . . . . 53710 1 stop_ save_ save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 53710 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name HetNoe_1200 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 1200 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '1H-15N heteronoe' . . . 53710 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 53710 2 2 $software_2 . . 53710 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.469 0.058 . . . . . . . . . . 53710 2 2 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.629 0.064 . . . . . . . . . . 53710 2 3 . 1 1 7 7 CYS N N 15 . 1 1 7 7 CYS H H 1 0.689 0.126 . . . . . . . . . . 53710 2 4 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.660 0.115 . . . . . . . . . . 53710 2 5 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.847 0.096 . . . . . . . . . . 53710 2 6 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.854 0.076 . . . . . . . . . . 53710 2 7 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.656 0.041 . . . . . . . . . . 53710 2 8 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.815 0.074 . . . . . . . . . . 53710 2 9 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.629 0.069 . . . . . . . . . . 53710 2 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.825 0.080 . . . . . . . . . . 53710 2 11 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.731 0.055 . . . . . . . . . . 53710 2 12 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.670 0.064 . . . . . . . . . . 53710 2 13 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.473 0.193 . . . . . . . . . . 53710 2 14 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.642 0.063 . . . . . . . . . . 53710 2 15 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.717 0.043 . . . . . . . . . . 53710 2 16 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.811 0.061 . . . . . . . . . . 53710 2 17 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.680 0.051 . . . . . . . . . . 53710 2 18 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.660 0.042 . . . . . . . . . . 53710 2 19 . 1 1 25 25 SER N N 15 . 1 1 25 25 SER H H 1 0.644 0.085 . . . . . . . . . . 53710 2 20 . 1 1 26 26 CYS N N 15 . 1 1 26 26 CYS H H 1 0.685 0.161 . . . . . . . . . . 53710 2 21 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.647 0.103 . . . . . . . . . . 53710 2 22 . 1 1 28 28 ARG N N 15 . 1 1 28 28 ARG H H 1 0.661 0.049 . . . . . . . . . . 53710 2 23 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.707 0.059 . . . . . . . . . . 53710 2 24 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.708 0.105 . . . . . . . . . . 53710 2 25 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.632 0.094 . . . . . . . . . . 53710 2 26 . 1 1 33 33 SER N N 15 . 1 1 33 33 SER H H 1 0.685 0.081 . . . . . . . . . . 53710 2 27 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.606 0.041 . . . . . . . . . . 53710 2 28 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.682 0.034 . . . . . . . . . . 53710 2 29 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.770 0.055 . . . . . . . . . . 53710 2 30 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.631 0.046 . . . . . . . . . . 53710 2 31 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.673 0.053 . . . . . . . . . . 53710 2 32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.479 0.060 . . . . . . . . . . 53710 2 33 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.604 0.055 . . . . . . . . . . 53710 2 34 . 1 1 43 43 SER N N 15 . 1 1 43 43 SER H H 1 1.055 0.431 . . . . . . . . . . 53710 2 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.691 0.057 . . . . . . . . . . 53710 2 36 . 1 1 45 45 VAL N N 15 . 1 1 45 45 VAL H H 1 0.838 0.147 . . . . . . . . . . 53710 2 37 . 1 1 47 47 THR N N 15 . 1 1 47 47 THR H H 1 0.734 0.050 . . . . . . . . . . 53710 2 38 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.724 0.045 . . . . . . . . . . 53710 2 39 . 1 1 49 49 HIS N N 15 . 1 1 49 49 HIS H H 1 0.631 0.210 . . . . . . . . . . 53710 2 40 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.642 0.060 . . . . . . . . . . 53710 2 41 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.736 0.047 . . . . . . . . . . 53710 2 42 . 1 1 52 52 HIS N N 15 . 1 1 52 52 HIS H H 1 0.560 0.068 . . . . . . . . . . 53710 2 43 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.717 0.060 . . . . . . . . . . 53710 2 44 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.732 0.079 . . . . . . . . . . 53710 2 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.877 0.076 . . . . . . . . . . 53710 2 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.599 0.081 . . . . . . . . . . 53710 2 47 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.665 0.070 . . . . . . . . . . 53710 2 48 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.563 0.074 . . . . . . . . . . 53710 2 49 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.616 0.070 . . . . . . . . . . 53710 2 50 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.580 0.175 . . . . . . . . . . 53710 2 51 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.604 0.178 . . . . . . . . . . 53710 2 52 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.703 0.280 . . . . . . . . . . 53710 2 53 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.728 0.113 . . . . . . . . . . 53710 2 54 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.675 0.112 . . . . . . . . . . 53710 2 55 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.617 0.081 . . . . . . . . . . 53710 2 56 . 1 1 69 69 CYS N N 15 . 1 1 69 69 CYS H H 1 0.437 0.131 . . . . . . . . . . 53710 2 57 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.612 0.135 . . . . . . . . . . 53710 2 58 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.920 0.130 . . . . . . . . . . 53710 2 59 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.854 0.220 . . . . . . . . . . 53710 2 60 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.815 0.212 . . . . . . . . . . 53710 2 61 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.528 0.067 . . . . . . . . . . 53710 2 62 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.569 0.140 . . . . . . . . . . 53710 2 63 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.655 0.064 . . . . . . . . . . 53710 2 64 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.856 0.642 . . . . . . . . . . 53710 2 65 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.785 0.112 . . . . . . . . . . 53710 2 66 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.729 0.203 . . . . . . . . . . 53710 2 67 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.513 0.112 . . . . . . . . . . 53710 2 68 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.843 0.190 . . . . . . . . . . 53710 2 69 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.628 0.059 . . . . . . . . . . 53710 2 70 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.710 0.109 . . . . . . . . . . 53710 2 71 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.772 0.144 . . . . . . . . . . 53710 2 72 . 1 1 86 86 HIS N N 15 . 1 1 86 86 HIS H H 1 0.715 0.096 . . . . . . . . . . 53710 2 73 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.855 0.114 . . . . . . . . . . 53710 2 74 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.699 0.074 . . . . . . . . . . 53710 2 75 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.792 0.148 . . . . . . . . . . 53710 2 76 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.720 0.093 . . . . . . . . . . 53710 2 77 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.797 0.193 . . . . . . . . . . 53710 2 78 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.487 0.099 . . . . . . . . . . 53710 2 79 . 1 1 94 94 HIS N N 15 . 1 1 94 94 HIS H H 1 0.851 0.067 . . . . . . . . . . 53710 2 80 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.794 0.111 . . . . . . . . . . 53710 2 81 . 1 1 96 96 ARG N N 15 . 1 1 96 96 ARG H H 1 0.505 0.254 . . . . . . . . . . 53710 2 82 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.957 0.196 . . . . . . . . . . 53710 2 83 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.660 0.081 . . . . . . . . . . 53710 2 84 . 1 1 99 99 GLY N N 15 . 1 1 99 99 GLY H H 1 0.880 0.231 . . . . . . . . . . 53710 2 85 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.743 0.059 . . . . . . . . . . 53710 2 86 . 1 1 101 101 SER N N 15 . 1 1 101 101 SER H H 1 0.633 0.072 . . . . . . . . . . 53710 2 87 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.696 0.185 . . . . . . . . . . 53710 2 88 . 1 1 103 103 MET N N 15 . 1 1 103 103 MET H H 1 0.522 0.150 . . . . . . . . . . 53710 2 89 . 1 1 105 105 THR N N 15 . 1 1 105 105 THR H H 1 0.832 0.263 . . . . . . . . . . 53710 2 90 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.703 0.087 . . . . . . . . . . 53710 2 91 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 1.185 0.264 . . . . . . . . . . 53710 2 92 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.690 0.151 . . . . . . . . . . 53710 2 93 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 0.745 0.103 . . . . . . . . . . 53710 2 94 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.926 0.175 . . . . . . . . . . 53710 2 95 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 1.054 0.303 . . . . . . . . . . 53710 2 96 . 1 1 112 112 PHE N N 15 . 1 1 112 112 PHE H H 1 0.704 0.093 . . . . . . . . . . 53710 2 97 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.951 0.183 . . . . . . . . . . 53710 2 98 . 1 1 114 114 ASP N N 15 . 1 1 114 114 ASP H H 1 0.826 0.177 . . . . . . . . . . 53710 2 99 . 1 1 115 115 CYS N N 15 . 1 1 115 115 CYS H H 1 0.844 0.207 . . . . . . . . . . 53710 2 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.602 0.248 . . . . . . . . . . 53710 2 101 . 1 1 117 117 PHE N N 15 . 1 1 117 117 PHE H H 1 0.621 0.104 . . . . . . . . . . 53710 2 102 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.753 0.143 . . . . . . . . . . 53710 2 103 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 1.073 0.203 . . . . . . . . . . 53710 2 104 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.807 0.095 . . . . . . . . . . 53710 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 53710 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name R1_800 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'relaxation rates, not times' _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 'T1/R1 relaxation' . . . 53710 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 53710 1 2 $software_2 . . 53710 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 4 4 ARG N N 15 1.543 0.048 . . . . . 53710 1 2 . 1 1 5 5 LEU N N 15 1.785 0.123 . . . . . 53710 1 3 . 1 1 7 7 CYS N N 15 1.399 0.170 . . . . . 53710 1 4 . 1 1 8 8 GLN N N 15 2.079 0.388 . . . . . 53710 1 5 . 1 1 9 9 LEU N N 15 1.537 0.102 . . . . . 53710 1 6 . 1 1 10 10 ASP N N 15 1.665 0.124 . . . . . 53710 1 7 . 1 1 12 12 ALA N N 15 1.538 0.110 . . . . . 53710 1 8 . 1 1 13 13 ARG N N 15 1.766 0.073 . . . . . 53710 1 9 . 1 1 14 14 ASP N N 15 1.526 0.058 . . . . . 53710 1 10 . 1 1 15 15 VAL N N 15 1.674 0.059 . . . . . 53710 1 11 . 1 1 16 16 LEU N N 15 1.727 0.070 . . . . . 53710 1 12 . 1 1 17 17 CYS N N 15 1.507 0.037 . . . . . 53710 1 13 . 1 1 18 18 LEU N N 15 1.892 0.307 . . . . . 53710 1 14 . 1 1 19 19 ARG N N 15 1.641 0.142 . . . . . 53710 1 15 . 1 1 21 21 VAL N N 15 1.485 0.045 . . . . . 53710 1 16 . 1 1 22 22 GLY N N 15 1.438 0.057 . . . . . 53710 1 17 . 1 1 23 23 ALA N N 15 1.559 0.133 . . . . . 53710 1 18 . 1 1 24 24 GLU N N 15 1.604 0.067 . . . . . 53710 1 19 . 1 1 25 25 SER N N 15 1.747 0.095 . . . . . 53710 1 20 . 1 1 26 26 CYS N N 15 1.443 0.215 . . . . . 53710 1 21 . 1 1 27 27 GLY N N 15 1.272 0.119 . . . . . 53710 1 22 . 1 1 28 28 ARG N N 15 1.399 0.026 . . . . . 53710 1 23 . 1 1 30 30 PHE N N 15 1.739 0.088 . . . . . 53710 1 24 . 1 1 31 31 SER N N 15 1.349 0.044 . . . . . 53710 1 25 . 1 1 32 32 GLY N N 15 1.512 0.181 . . . . . 53710 1 26 . 1 1 33 33 SER N N 15 1.824 0.248 . . . . . 53710 1 27 . 1 1 34 34 LEU N N 15 1.582 0.081 . . . . . 53710 1 28 . 1 1 35 35 GLY N N 15 1.521 0.079 . . . . . 53710 1 29 . 1 1 36 36 THR N N 15 1.564 0.079 . . . . . 53710 1 30 . 1 1 37 37 LEU N N 15 1.498 0.086 . . . . . 53710 1 31 . 1 1 38 38 SER N N 15 1.428 0.080 . . . . . 53710 1 32 . 1 1 39 39 SER N N 15 1.378 0.081 . . . . . 53710 1 33 . 1 1 41 41 SER N N 15 1.434 0.131 . . . . . 53710 1 34 . 1 1 43 43 SER N N 15 1.382 0.123 . . . . . 53710 1 35 . 1 1 44 44 ALA N N 15 1.495 0.080 . . . . . 53710 1 36 . 1 1 45 45 VAL N N 15 1.612 0.188 . . . . . 53710 1 37 . 1 1 47 47 THR N N 15 1.587 0.080 . . . . . 53710 1 38 . 1 1 48 48 ASP N N 15 1.613 0.059 . . . . . 53710 1 39 . 1 1 50 50 GLY N N 15 1.519 0.080 . . . . . 53710 1 40 . 1 1 51 51 ALA N N 15 1.449 0.135 . . . . . 53710 1 41 . 1 1 52 52 HIS N N 15 1.278 0.097 . . . . . 53710 1 42 . 1 1 53 53 LEU N N 15 1.668 0.114 . . . . . 53710 1 43 . 1 1 54 54 SER N N 15 1.411 0.137 . . . . . 53710 1 44 . 1 1 55 55 LEU N N 15 1.596 0.060 . . . . . 53710 1 45 . 1 1 56 56 ARG N N 15 1.538 0.135 . . . . . 53710 1 46 . 1 1 57 57 GLY N N 15 1.329 0.133 . . . . . 53710 1 47 . 1 1 58 58 LEU N N 15 1.564 0.066 . . . . . 53710 1 48 . 1 1 60 60 VAL N N 15 1.366 0.059 . . . . . 53710 1 49 . 1 1 62 62 ALA N N 15 1.505 0.112 . . . . . 53710 1 50 . 1 1 63 63 PHE N N 15 1.530 0.186 . . . . . 53710 1 51 . 1 1 64 64 SER N N 15 1.479 0.107 . . . . . 53710 1 52 . 1 1 65 65 SER N N 15 1.831 0.225 . . . . . 53710 1 53 . 1 1 66 66 ALA N N 15 1.448 0.208 . . . . . 53710 1 54 . 1 1 67 67 GLY N N 15 1.509 0.063 . . . . . 53710 1 55 . 1 1 69 69 CYS N N 15 1.665 0.151 . . . . . 53710 1 56 . 1 1 70 70 ALA N N 15 1.452 0.067 . . . . . 53710 1 57 . 1 1 71 71 LEU N N 15 1.372 0.122 . . . . . 53710 1 58 . 1 1 72 72 ARG N N 15 1.584 0.176 . . . . . 53710 1 59 . 1 1 74 74 THR N N 15 1.276 0.292 . . . . . 53710 1 60 . 1 1 75 75 SER N N 15 1.277 0.096 . . . . . 53710 1 61 . 1 1 76 76 ALA N N 15 1.247 0.154 . . . . . 53710 1 62 . 1 1 77 77 ARG N N 15 1.530 0.024 . . . . . 53710 1 63 . 1 1 78 78 ARG N N 15 1.588 0.208 . . . . . 53710 1 64 . 1 1 79 79 MET N N 15 1.462 0.126 . . . . . 53710 1 65 . 1 1 80 80 GLU N N 15 1.502 0.173 . . . . . 53710 1 66 . 1 1 81 81 THR N N 15 1.109 0.161 . . . . . 53710 1 67 . 1 1 82 82 THR N N 15 1.419 0.157 . . . . . 53710 1 68 . 1 1 83 83 VAL N N 15 1.468 0.055 . . . . . 53710 1 69 . 1 1 84 84 ASN N N 15 1.545 0.096 . . . . . 53710 1 70 . 1 1 85 85 ALA N N 15 1.957 0.173 . . . . . 53710 1 71 . 1 1 86 86 HIS N N 15 1.710 0.191 . . . . . 53710 1 72 . 1 1 87 87 GLN N N 15 1.725 0.196 . . . . . 53710 1 73 . 1 1 88 88 ILE N N 15 1.529 0.024 . . . . . 53710 1 74 . 1 1 89 89 LEU N N 15 1.506 0.139 . . . . . 53710 1 75 . 1 1 91 91 LYS N N 15 1.477 0.058 . . . . . 53710 1 76 . 1 1 92 92 VAL N N 15 1.450 0.135 . . . . . 53710 1 77 . 1 1 93 93 LEU N N 15 1.507 0.066 . . . . . 53710 1 78 . 1 1 94 94 HIS N N 15 1.192 0.112 . . . . . 53710 1 79 . 1 1 95 95 LYS N N 15 1.392 0.092 . . . . . 53710 1 80 . 1 1 96 96 ARG N N 15 1.854 0.158 . . . . . 53710 1 81 . 1 1 97 97 THR N N 15 1.193 0.126 . . . . . 53710 1 82 . 1 1 98 98 LEU N N 15 1.601 0.081 . . . . . 53710 1 83 . 1 1 99 99 GLY N N 15 1.521 0.079 . . . . . 53710 1 84 . 1 1 100 100 LEU N N 15 1.462 0.092 . . . . . 53710 1 85 . 1 1 101 101 SER N N 15 1.426 0.137 . . . . . 53710 1 86 . 1 1 102 102 ALA N N 15 1.225 0.236 . . . . . 53710 1 87 . 1 1 103 103 MET N N 15 1.564 0.069 . . . . . 53710 1 88 . 1 1 104 104 SER N N 15 2.011 0.207 . . . . . 53710 1 89 . 1 1 105 105 THR N N 15 1.331 0.071 . . . . . 53710 1 90 . 1 1 106 106 THR N N 15 1.643 0.116 . . . . . 53710 1 91 . 1 1 107 107 ASP N N 15 1.561 0.211 . . . . . 53710 1 92 . 1 1 108 108 LEU N N 15 1.397 0.200 . . . . . 53710 1 93 . 1 1 109 109 GLU N N 15 1.423 0.123 . . . . . 53710 1 94 . 1 1 110 110 ALA N N 15 1.732 0.153 . . . . . 53710 1 95 . 1 1 111 111 TYR N N 15 1.778 0.053 . . . . . 53710 1 96 . 1 1 112 112 PHE N N 15 1.475 0.129 . . . . . 53710 1 97 . 1 1 113 113 LYS N N 15 1.278 0.208 . . . . . 53710 1 98 . 1 1 114 114 ASP N N 15 1.369 0.080 . . . . . 53710 1 99 . 1 1 115 115 CYS N N 15 1.239 0.158 . . . . . 53710 1 100 . 1 1 116 116 LEU N N 15 1.764 0.171 . . . . . 53710 1 101 . 1 1 117 117 PHE N N 15 1.415 0.112 . . . . . 53710 1 102 . 1 1 118 118 LYS N N 15 1.483 0.202 . . . . . 53710 1 103 . 1 1 119 119 ASP N N 15 1.561 0.149 . . . . . 53710 1 104 . 1 1 120 120 TRP N N 15 1.461 0.061 . . . . . 53710 1 stop_ save_ save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 53710 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name R1_1200 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 1200 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'relaxation rates, not times' _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 4 'T1/R1 relaxation' . . . 53710 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 53710 2 2 $software_2 . . 53710 2 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 4 4 ARG N N 15 1.541 0.113 . . . . . 53710 2 2 . 1 1 5 5 LEU N N 15 1.727 0.128 . . . . . 53710 2 3 . 1 1 7 7 CYS N N 15 1.021 0.130 . . . . . 53710 2 4 . 1 1 8 8 GLN N N 15 1.592 0.216 . . . . . 53710 2 5 . 1 1 9 9 LEU N N 15 1.543 0.059 . . . . . 53710 2 6 . 1 1 10 10 ASP N N 15 1.635 0.093 . . . . . 53710 2 7 . 1 1 12 12 ALA N N 15 1.504 0.052 . . . . . 53710 2 8 . 1 1 13 13 ARG N N 15 1.546 0.045 . . . . . 53710 2 9 . 1 1 14 14 ASP N N 15 1.376 0.083 . . . . . 53710 2 10 . 1 1 15 15 VAL N N 15 1.537 0.036 . . . . . 53710 2 11 . 1 1 16 16 LEU N N 15 1.583 0.056 . . . . . 53710 2 12 . 1 1 17 17 CYS N N 15 1.397 0.088 . . . . . 53710 2 13 . 1 1 18 18 LEU N N 15 1.316 0.179 . . . . . 53710 2 14 . 1 1 19 19 ARG N N 15 1.435 0.071 . . . . . 53710 2 15 . 1 1 21 21 VAL N N 15 1.479 0.042 . . . . . 53710 2 16 . 1 1 22 22 GLY N N 15 1.527 0.081 . . . . . 53710 2 17 . 1 1 23 23 ALA N N 15 1.499 0.057 . . . . . 53710 2 18 . 1 1 24 24 GLU N N 15 1.533 0.068 . . . . . 53710 2 19 . 1 1 25 25 SER N N 15 1.504 0.070 . . . . . 53710 2 20 . 1 1 26 26 CYS N N 15 1.332 0.026 . . . . . 53710 2 21 . 1 1 27 27 GLY N N 15 1.417 0.101 . . . . . 53710 2 22 . 1 1 28 28 ARG N N 15 1.335 0.054 . . . . . 53710 2 23 . 1 1 30 30 PHE N N 15 1.455 0.079 . . . . . 53710 2 24 . 1 1 31 31 SER N N 15 1.354 0.094 . . . . . 53710 2 25 . 1 1 32 32 GLY N N 15 1.479 0.137 . . . . . 53710 2 26 . 1 1 33 33 SER N N 15 1.377 0.062 . . . . . 53710 2 27 . 1 1 34 34 LEU N N 15 1.499 0.105 . . . . . 53710 2 28 . 1 1 35 35 GLY N N 15 1.598 0.062 . . . . . 53710 2 29 . 1 1 36 36 THR N N 15 1.422 0.099 . . . . . 53710 2 30 . 1 1 37 37 LEU N N 15 1.531 0.076 . . . . . 53710 2 31 . 1 1 38 38 SER N N 15 1.480 0.076 . . . . . 53710 2 32 . 1 1 39 39 SER N N 15 1.393 0.057 . . . . . 53710 2 33 . 1 1 41 41 SER N N 15 1.466 0.126 . . . . . 53710 2 34 . 1 1 44 44 ALA N N 15 1.347 0.076 . . . . . 53710 2 35 . 1 1 45 45 VAL N N 15 1.404 0.109 . . . . . 53710 2 36 . 1 1 47 47 THR N N 15 1.454 0.068 . . . . . 53710 2 37 . 1 1 48 48 ASP N N 15 1.346 0.063 . . . . . 53710 2 38 . 1 1 50 50 GLY N N 15 1.549 0.107 . . . . . 53710 2 39 . 1 1 51 51 ALA N N 15 1.438 0.086 . . . . . 53710 2 40 . 1 1 52 52 HIS N N 15 1.406 0.096 . . . . . 53710 2 41 . 1 1 53 53 LEU N N 15 1.540 0.068 . . . . . 53710 2 42 . 1 1 54 54 SER N N 15 1.454 0.068 . . . . . 53710 2 43 . 1 1 55 55 LEU N N 15 1.475 0.041 . . . . . 53710 2 44 . 1 1 56 56 ARG N N 15 1.392 0.093 . . . . . 53710 2 45 . 1 1 57 57 GLY N N 15 1.483 0.116 . . . . . 53710 2 46 . 1 1 58 58 LEU N N 15 1.504 0.032 . . . . . 53710 2 47 . 1 1 60 60 VAL N N 15 1.450 0.049 . . . . . 53710 2 48 . 1 1 61 61 CYS N N 15 1.707 0.233 . . . . . 53710 2 49 . 1 1 62 62 ALA N N 15 1.232 0.152 . . . . . 53710 2 50 . 1 1 63 63 PHE N N 15 1.190 0.193 . . . . . 53710 2 51 . 1 1 64 64 SER N N 15 1.367 0.066 . . . . . 53710 2 52 . 1 1 66 66 ALA N N 15 1.242 0.159 . . . . . 53710 2 53 . 1 1 67 67 GLY N N 15 1.518 0.065 . . . . . 53710 2 54 . 1 1 69 69 CYS N N 15 0.929 0.163 . . . . . 53710 2 55 . 1 1 70 70 ALA N N 15 1.626 0.178 . . . . . 53710 2 56 . 1 1 71 71 LEU N N 15 1.265 0.099 . . . . . 53710 2 57 . 1 1 72 72 ARG N N 15 1.576 0.127 . . . . . 53710 2 58 . 1 1 73 73 PHE N N 15 1.370 0.217 . . . . . 53710 2 59 . 1 1 75 75 SER N N 15 1.406 0.096 . . . . . 53710 2 60 . 1 1 76 76 ALA N N 15 1.507 0.149 . . . . . 53710 2 61 . 1 1 77 77 ARG N N 15 1.389 0.077 . . . . . 53710 2 62 . 1 1 78 78 ARG N N 15 1.417 0.060 . . . . . 53710 2 63 . 1 1 79 79 MET N N 15 1.391 0.119 . . . . . 53710 2 64 . 1 1 80 80 GLU N N 15 1.378 0.244 . . . . . 53710 2 65 . 1 1 81 81 THR N N 15 1.324 0.123 . . . . . 53710 2 66 . 1 1 82 82 THR N N 15 1.247 0.165 . . . . . 53710 2 67 . 1 1 83 83 VAL N N 15 1.435 0.034 . . . . . 53710 2 68 . 1 1 84 84 ASN N N 15 1.415 0.099 . . . . . 53710 2 69 . 1 1 85 85 ALA N N 15 1.834 0.134 . . . . . 53710 2 70 . 1 1 86 86 HIS N N 15 1.369 0.111 . . . . . 53710 2 71 . 1 1 87 87 GLN N N 15 1.150 0.137 . . . . . 53710 2 72 . 1 1 88 88 ILE N N 15 1.559 0.046 . . . . . 53710 2 73 . 1 1 89 89 LEU N N 15 1.511 0.109 . . . . . 53710 2 74 . 1 1 91 91 LYS N N 15 1.383 0.072 . . . . . 53710 2 75 . 1 1 92 92 VAL N N 15 1.335 0.120 . . . . . 53710 2 76 . 1 1 93 93 LEU N N 15 1.550 0.209 . . . . . 53710 2 77 . 1 1 94 94 HIS N N 15 1.564 0.047 . . . . . 53710 2 78 . 1 1 95 95 LYS N N 15 1.345 0.072 . . . . . 53710 2 79 . 1 1 96 96 ARG N N 15 2.025 0.105 . . . . . 53710 2 80 . 1 1 97 97 THR N N 15 1.454 0.085 . . . . . 53710 2 81 . 1 1 98 98 LEU N N 15 1.536 0.092 . . . . . 53710 2 82 . 1 1 99 99 GLY N N 15 1.255 0.195 . . . . . 53710 2 83 . 1 1 100 100 LEU N N 15 1.307 0.092 . . . . . 53710 2 84 . 1 1 101 101 SER N N 15 1.340 0.063 . . . . . 53710 2 85 . 1 1 102 102 ALA N N 15 1.185 0.183 . . . . . 53710 2 86 . 1 1 103 103 MET N N 15 1.516 0.199 . . . . . 53710 2 87 . 1 1 104 104 SER N N 15 0.995 0.179 . . . . . 53710 2 88 . 1 1 105 105 THR N N 15 2.001 0.310 . . . . . 53710 2 89 . 1 1 106 106 THR N N 15 1.303 0.105 . . . . . 53710 2 90 . 1 1 107 107 ASP N N 15 1.134 0.075 . . . . . 53710 2 91 . 1 1 108 108 LEU N N 15 1.306 0.155 . . . . . 53710 2 92 . 1 1 109 109 GLU N N 15 1.081 0.052 . . . . . 53710 2 93 . 1 1 110 110 ALA N N 15 1.242 0.107 . . . . . 53710 2 94 . 1 1 111 111 TYR N N 15 1.199 0.187 . . . . . 53710 2 95 . 1 1 112 112 PHE N N 15 1.266 0.054 . . . . . 53710 2 96 . 1 1 113 113 LYS N N 15 1.306 0.078 . . . . . 53710 2 97 . 1 1 114 114 ASP N N 15 1.440 0.120 . . . . . 53710 2 98 . 1 1 115 115 CYS N N 15 1.341 0.122 . . . . . 53710 2 99 . 1 1 116 116 LEU N N 15 1.511 0.133 . . . . . 53710 2 100 . 1 1 117 117 PHE N N 15 1.405 0.086 . . . . . 53710 2 101 . 1 1 118 118 LYS N N 15 1.506 0.105 . . . . . 53710 2 102 . 1 1 119 119 ASP N N 15 1.564 0.158 . . . . . 53710 2 103 . 1 1 120 120 TRP N N 15 1.486 0.090 . . . . . 53710 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 53710 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name R2_800 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'relaxation rates, not times' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 2 'T2/R2 relaxation' . . . 53710 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 53710 1 2 $software_2 . . 53710 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 ARG N N 15 2.759 0.207 . . . . . . . 53710 1 2 . 1 1 5 5 LEU N N 15 3.374 0.229 . . . . . . . 53710 1 3 . 1 1 7 7 CYS N N 15 5.430 0.694 . . . . . . . 53710 1 4 . 1 1 8 8 GLN N N 15 4.982 0.614 . . . . . . . 53710 1 5 . 1 1 9 9 LEU N N 15 4.627 0.195 . . . . . . . 53710 1 6 . 1 1 10 10 ASP N N 15 4.909 0.150 . . . . . . . 53710 1 7 . 1 1 12 12 ALA N N 15 6.261 0.192 . . . . . . . 53710 1 8 . 1 1 13 13 ARG N N 15 6.309 0.244 . . . . . . . 53710 1 9 . 1 1 14 14 ASP N N 15 5.971 0.211 . . . . . . . 53710 1 10 . 1 1 15 15 VAL N N 15 6.226 0.186 . . . . . . . 53710 1 11 . 1 1 16 16 LEU N N 15 6.992 0.234 . . . . . . . 53710 1 12 . 1 1 17 17 CYS N N 15 7.728 0.363 . . . . . . . 53710 1 13 . 1 1 18 18 LEU N N 15 4.290 0.452 . . . . . . . 53710 1 14 . 1 1 19 19 ARG N N 15 6.690 0.268 . . . . . . . 53710 1 15 . 1 1 21 21 VAL N N 15 5.429 0.128 . . . . . . . 53710 1 16 . 1 1 22 22 GLY N N 15 5.258 0.189 . . . . . . . 53710 1 17 . 1 1 23 23 ALA N N 15 5.806 0.301 . . . . . . . 53710 1 18 . 1 1 24 24 GLU N N 15 5.246 0.143 . . . . . . . 53710 1 19 . 1 1 25 25 SER N N 15 5.268 0.202 . . . . . . . 53710 1 20 . 1 1 26 26 CYS N N 15 5.796 0.943 . . . . . . . 53710 1 21 . 1 1 27 27 GLY N N 15 4.746 0.379 . . . . . . . 53710 1 22 . 1 1 28 28 ARG N N 15 5.066 0.119 . . . . . . . 53710 1 23 . 1 1 30 30 PHE N N 15 5.781 0.249 . . . . . . . 53710 1 24 . 1 1 31 31 SER N N 15 5.818 0.536 . . . . . . . 53710 1 25 . 1 1 32 32 GLY N N 15 5.269 0.418 . . . . . . . 53710 1 26 . 1 1 33 33 SER N N 15 5.697 0.474 . . . . . . . 53710 1 27 . 1 1 34 34 LEU N N 15 4.850 0.115 . . . . . . . 53710 1 28 . 1 1 35 35 GLY N N 15 5.885 0.224 . . . . . . . 53710 1 29 . 1 1 36 36 THR N N 15 4.826 0.254 . . . . . . . 53710 1 30 . 1 1 37 37 LEU N N 15 4.517 0.212 . . . . . . . 53710 1 31 . 1 1 38 38 SER N N 15 5.377 0.143 . . . . . . . 53710 1 32 . 1 1 39 39 SER N N 15 4.713 0.241 . . . . . . . 53710 1 33 . 1 1 41 41 SER N N 15 4.960 0.224 . . . . . . . 53710 1 34 . 1 1 43 43 SER N N 15 5.692 0.181 . . . . . . . 53710 1 35 . 1 1 44 44 ALA N N 15 5.747 0.343 . . . . . . . 53710 1 36 . 1 1 45 45 VAL N N 15 6.654 0.431 . . . . . . . 53710 1 37 . 1 1 47 47 THR N N 15 5.890 0.145 . . . . . . . 53710 1 38 . 1 1 48 48 ASP N N 15 6.489 0.247 . . . . . . . 53710 1 39 . 1 1 49 49 HIS N N 15 5.326 0.214 . . . . . . . 53710 1 40 . 1 1 50 50 GLY N N 15 7.235 0.299 . . . . . . . 53710 1 41 . 1 1 51 51 ALA N N 15 6.693 0.261 . . . . . . . 53710 1 42 . 1 1 52 52 HIS N N 15 7.600 0.435 . . . . . . . 53710 1 43 . 1 1 53 53 LEU N N 15 7.764 0.385 . . . . . . . 53710 1 44 . 1 1 54 54 SER N N 15 7.147 0.309 . . . . . . . 53710 1 45 . 1 1 55 55 LEU N N 15 6.073 0.356 . . . . . . . 53710 1 46 . 1 1 56 56 ARG N N 15 6.521 0.322 . . . . . . . 53710 1 47 . 1 1 57 57 GLY N N 15 6.278 0.278 . . . . . . . 53710 1 48 . 1 1 58 58 LEU N N 15 6.251 0.297 . . . . . . . 53710 1 49 . 1 1 60 60 VAL N N 15 5.290 0.288 . . . . . . . 53710 1 50 . 1 1 61 61 CYS N N 15 5.155 0.523 . . . . . . . 53710 1 51 . 1 1 62 62 ALA N N 15 5.648 0.649 . . . . . . . 53710 1 52 . 1 1 63 63 PHE N N 15 5.957 0.572 . . . . . . . 53710 1 53 . 1 1 64 64 SER N N 15 6.547 0.677 . . . . . . . 53710 1 54 . 1 1 66 66 ALA N N 15 5.942 0.651 . . . . . . . 53710 1 55 . 1 1 67 67 GLY N N 15 4.394 0.310 . . . . . . . 53710 1 56 . 1 1 69 69 CYS N N 15 8.213 1.288 . . . . . . . 53710 1 57 . 1 1 70 70 ALA N N 15 6.334 0.425 . . . . . . . 53710 1 58 . 1 1 71 71 LEU N N 15 7.306 0.323 . . . . . . . 53710 1 59 . 1 1 72 72 ARG N N 15 6.355 0.637 . . . . . . . 53710 1 60 . 1 1 75 75 SER N N 15 7.575 0.431 . . . . . . . 53710 1 61 . 1 1 76 76 ALA N N 15 7.495 1.351 . . . . . . . 53710 1 62 . 1 1 77 77 ARG N N 15 8.041 0.801 . . . . . . . 53710 1 63 . 1 1 78 78 ARG N N 15 7.823 2.074 . . . . . . . 53710 1 64 . 1 1 79 79 MET N N 15 5.786 0.495 . . . . . . . 53710 1 65 . 1 1 80 80 GLU N N 15 6.861 1.009 . . . . . . . 53710 1 66 . 1 1 81 81 THR N N 15 8.824 1.024 . . . . . . . 53710 1 67 . 1 1 82 82 THR N N 15 6.646 0.611 . . . . . . . 53710 1 68 . 1 1 83 83 VAL N N 15 6.763 0.207 . . . . . . . 53710 1 69 . 1 1 84 84 ASN N N 15 5.505 0.516 . . . . . . . 53710 1 70 . 1 1 85 85 ALA N N 15 5.104 0.633 . . . . . . . 53710 1 71 . 1 1 86 86 HIS N N 15 5.743 0.169 . . . . . . . 53710 1 72 . 1 1 87 87 GLN N N 15 8.280 0.693 . . . . . . . 53710 1 73 . 1 1 88 88 ILE N N 15 5.877 0.118 . . . . . . . 53710 1 74 . 1 1 89 89 LEU N N 15 5.916 0.364 . . . . . . . 53710 1 75 . 1 1 91 91 LYS N N 15 8.428 0.425 . . . . . . . 53710 1 76 . 1 1 92 92 VAL N N 15 4.988 0.241 . . . . . . . 53710 1 77 . 1 1 93 93 LEU N N 15 8.750 1.075 . . . . . . . 53710 1 78 . 1 1 94 94 HIS N N 15 5.584 0.726 . . . . . . . 53710 1 79 . 1 1 95 95 LYS N N 15 10.193 0.621 . . . . . . . 53710 1 80 . 1 1 97 97 THR N N 15 8.264 0.585 . . . . . . . 53710 1 81 . 1 1 98 98 LEU N N 15 5.870 0.208 . . . . . . . 53710 1 82 . 1 1 100 100 LEU N N 15 6.796 0.327 . . . . . . . 53710 1 83 . 1 1 101 101 SER N N 15 6.613 0.732 . . . . . . . 53710 1 84 . 1 1 102 102 ALA N N 15 8.327 0.583 . . . . . . . 53710 1 85 . 1 1 103 103 MET N N 15 8.352 0.791 . . . . . . . 53710 1 86 . 1 1 105 105 THR N N 15 8.968 1.122 . . . . . . . 53710 1 87 . 1 1 106 106 THR N N 15 9.162 0.486 . . . . . . . 53710 1 88 . 1 1 107 107 ASP N N 15 7.885 0.411 . . . . . . . 53710 1 89 . 1 1 109 109 GLU N N 15 9.443 0.494 . . . . . . . 53710 1 90 . 1 1 110 110 ALA N N 15 10.741 1.212 . . . . . . . 53710 1 91 . 1 1 111 111 TYR N N 15 6.336 0.285 . . . . . . . 53710 1 92 . 1 1 112 112 PHE N N 15 9.982 0.488 . . . . . . . 53710 1 93 . 1 1 113 113 LYS N N 15 9.985 0.429 . . . . . . . 53710 1 94 . 1 1 114 114 ASP N N 15 9.884 0.941 . . . . . . . 53710 1 95 . 1 1 115 115 CYS N N 15 9.977 0.506 . . . . . . . 53710 1 96 . 1 1 116 116 LEU N N 15 7.848 0.480 . . . . . . . 53710 1 97 . 1 1 117 117 PHE N N 15 7.905 0.373 . . . . . . . 53710 1 98 . 1 1 118 118 LYS N N 15 6.642 0.457 . . . . . . . 53710 1 99 . 1 1 119 119 ASP N N 15 5.518 0.231 . . . . . . . 53710 1 100 . 1 1 120 120 TRP N N 15 4.517 0.185 . . . . . . . 53710 1 stop_ save_ save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 53710 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name R2_1200 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 1200 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'relaxation rates, not times' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 'T2/R2 relaxation' . . . 53710 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 53710 2 2 $software_2 . . 53710 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 ARG N N 15 4.712 0.389 . . . . . . . 53710 2 2 . 1 1 5 5 LEU N N 15 5.742 0.310 . . . . . . . 53710 2 3 . 1 1 7 7 CYS N N 15 10.950 0.622 . . . . . . . 53710 2 4 . 1 1 8 8 GLN N N 15 7.176 0.736 . . . . . . . 53710 2 5 . 1 1 9 9 LEU N N 15 7.098 0.423 . . . . . . . 53710 2 6 . 1 1 10 10 ASP N N 15 7.633 0.350 . . . . . . . 53710 2 7 . 1 1 12 12 ALA N N 15 8.987 0.267 . . . . . . . 53710 2 8 . 1 1 13 13 ARG N N 15 9.261 0.544 . . . . . . . 53710 2 9 . 1 1 14 14 ASP N N 15 8.128 0.455 . . . . . . . 53710 2 10 . 1 1 15 15 VAL N N 15 8.800 0.284 . . . . . . . 53710 2 11 . 1 1 16 16 LEU N N 15 10.496 0.368 . . . . . . . 53710 2 12 . 1 1 17 17 CYS N N 15 11.275 0.513 . . . . . . . 53710 2 13 . 1 1 18 18 LEU N N 15 7.274 0.933 . . . . . . . 53710 2 14 . 1 1 19 19 ARG N N 15 9.814 0.367 . . . . . . . 53710 2 15 . 1 1 21 21 VAL N N 15 8.016 0.309 . . . . . . . 53710 2 16 . 1 1 22 22 GLY N N 15 8.573 0.314 . . . . . . . 53710 2 17 . 1 1 23 23 ALA N N 15 7.737 0.421 . . . . . . . 53710 2 18 . 1 1 24 24 GLU N N 15 7.526 0.495 . . . . . . . 53710 2 19 . 1 1 25 25 SER N N 15 7.430 0.658 . . . . . . . 53710 2 20 . 1 1 26 26 CYS N N 15 9.297 1.224 . . . . . . . 53710 2 21 . 1 1 27 27 GLY N N 15 6.964 0.381 . . . . . . . 53710 2 22 . 1 1 28 28 ARG N N 15 7.431 0.138 . . . . . . . 53710 2 23 . 1 1 30 30 PHE N N 15 8.875 0.577 . . . . . . . 53710 2 24 . 1 1 31 31 SER N N 15 10.902 1.063 . . . . . . . 53710 2 25 . 1 1 32 32 GLY N N 15 7.917 0.965 . . . . . . . 53710 2 26 . 1 1 33 33 SER N N 15 7.449 0.399 . . . . . . . 53710 2 27 . 1 1 34 34 LEU N N 15 7.511 0.412 . . . . . . . 53710 2 28 . 1 1 35 35 GLY N N 15 7.932 0.446 . . . . . . . 53710 2 29 . 1 1 36 36 THR N N 15 7.190 0.268 . . . . . . . 53710 2 30 . 1 1 37 37 LEU N N 15 7.270 0.264 . . . . . . . 53710 2 31 . 1 1 38 38 SER N N 15 7.329 0.417 . . . . . . . 53710 2 32 . 1 1 39 39 SER N N 15 7.281 0.463 . . . . . . . 53710 2 33 . 1 1 41 41 SER N N 15 7.191 0.412 . . . . . . . 53710 2 34 . 1 1 43 43 SER N N 15 5.560 0.808 . . . . . . . 53710 2 35 . 1 1 44 44 ALA N N 15 8.455 0.441 . . . . . . . 53710 2 36 . 1 1 45 45 VAL N N 15 12.118 0.620 . . . . . . . 53710 2 37 . 1 1 47 47 THR N N 15 8.431 0.495 . . . . . . . 53710 2 38 . 1 1 48 48 ASP N N 15 8.512 0.468 . . . . . . . 53710 2 39 . 1 1 49 49 HIS N N 15 6.286 0.816 . . . . . . . 53710 2 40 . 1 1 50 50 GLY N N 15 11.117 0.812 . . . . . . . 53710 2 41 . 1 1 51 51 ALA N N 15 9.732 0.715 . . . . . . . 53710 2 42 . 1 1 52 52 HIS N N 15 9.285 0.811 . . . . . . . 53710 2 43 . 1 1 53 53 LEU N N 15 10.577 0.564 . . . . . . . 53710 2 44 . 1 1 54 54 SER N N 15 8.863 0.482 . . . . . . . 53710 2 45 . 1 1 55 55 LEU N N 15 8.852 0.888 . . . . . . . 53710 2 46 . 1 1 56 56 ARG N N 15 9.686 0.405 . . . . . . . 53710 2 47 . 1 1 57 57 GLY N N 15 9.081 0.506 . . . . . . . 53710 2 48 . 1 1 58 58 LEU N N 15 8.261 0.405 . . . . . . . 53710 2 49 . 1 1 60 60 VAL N N 15 7.823 0.215 . . . . . . . 53710 2 50 . 1 1 61 61 CYS N N 15 5.842 0.506 . . . . . . . 53710 2 51 . 1 1 62 62 ALA N N 15 12.042 1.157 . . . . . . . 53710 2 52 . 1 1 63 63 PHE N N 15 12.752 1.261 . . . . . . . 53710 2 53 . 1 1 64 64 SER N N 15 8.027 0.619 . . . . . . . 53710 2 54 . 1 1 66 66 ALA N N 15 8.475 0.685 . . . . . . . 53710 2 55 . 1 1 67 67 GLY N N 15 5.545 0.308 . . . . . . . 53710 2 56 . 1 1 69 69 CYS N N 15 6.660 0.718 . . . . . . . 53710 2 57 . 1 1 70 70 ALA N N 15 7.662 0.856 . . . . . . . 53710 2 58 . 1 1 71 71 LEU N N 15 10.262 0.709 . . . . . . . 53710 2 59 . 1 1 72 72 ARG N N 15 9.984 1.330 . . . . . . . 53710 2 60 . 1 1 73 73 PHE N N 15 7.980 0.947 . . . . . . . 53710 2 61 . 1 1 74 74 THR N N 15 11.244 1.717 . . . . . . . 53710 2 62 . 1 1 75 75 SER N N 15 9.067 0.868 . . . . . . . 53710 2 63 . 1 1 76 76 ALA N N 15 9.781 0.900 . . . . . . . 53710 2 64 . 1 1 77 77 ARG N N 15 11.275 0.513 . . . . . . . 53710 2 65 . 1 1 78 78 ARG N N 15 9.814 0.367 . . . . . . . 53710 2 66 . 1 1 79 79 MET N N 15 10.796 0.907 . . . . . . . 53710 2 67 . 1 1 80 80 GLU N N 15 11.610 1.489 . . . . . . . 53710 2 68 . 1 1 81 81 THR N N 15 12.596 1.174 . . . . . . . 53710 2 69 . 1 1 82 82 THR N N 15 9.030 1.108 . . . . . . . 53710 2 70 . 1 1 83 83 VAL N N 15 9.632 0.507 . . . . . . . 53710 2 71 . 1 1 84 84 ASN N N 15 8.162 0.509 . . . . . . . 53710 2 72 . 1 1 85 85 ALA N N 15 6.181 0.644 . . . . . . . 53710 2 73 . 1 1 86 86 HIS N N 15 9.154 0.579 . . . . . . . 53710 2 74 . 1 1 87 87 GLN N N 15 11.680 0.843 . . . . . . . 53710 2 75 . 1 1 88 88 ILE N N 15 8.479 0.227 . . . . . . . 53710 2 76 . 1 1 89 89 LEU N N 15 9.213 0.539 . . . . . . . 53710 2 77 . 1 1 91 91 LYS N N 15 12.960 1.092 . . . . . . . 53710 2 78 . 1 1 92 92 VAL N N 15 5.854 0.345 . . . . . . . 53710 2 79 . 1 1 93 93 LEU N N 15 15.197 1.856 . . . . . . . 53710 2 80 . 1 1 94 94 HIS N N 15 8.890 0.397 . . . . . . . 53710 2 81 . 1 1 95 95 LYS N N 15 14.252 1.118 . . . . . . . 53710 2 82 . 1 1 96 96 ARG N N 15 4.850 0.413 . . . . . . . 53710 2 83 . 1 1 97 97 THR N N 15 11.824 1.306 . . . . . . . 53710 2 84 . 1 1 98 98 LEU N N 15 9.364 0.472 . . . . . . . 53710 2 85 . 1 1 99 99 GLY N N 15 8.637 0.988 . . . . . . . 53710 2 86 . 1 1 100 100 LEU N N 15 9.457 0.601 . . . . . . . 53710 2 87 . 1 1 101 101 SER N N 15 7.509 0.417 . . . . . . . 53710 2 88 . 1 1 102 102 ALA N N 15 14.422 2.315 . . . . . . . 53710 2 89 . 1 1 103 103 MET N N 15 10.373 0.600 . . . . . . . 53710 2 90 . 1 1 104 104 SER N N 15 12.935 4.104 . . . . . . . 53710 2 91 . 1 1 105 105 THR N N 15 11.578 1.509 . . . . . . . 53710 2 92 . 1 1 106 106 THR N N 15 14.048 1.328 . . . . . . . 53710 2 93 . 1 1 107 107 ASP N N 15 14.730 1.822 . . . . . . . 53710 2 94 . 1 1 108 108 LEU N N 15 13.721 2.415 . . . . . . . 53710 2 95 . 1 1 109 109 GLU N N 15 15.533 0.722 . . . . . . . 53710 2 96 . 1 1 110 110 ALA N N 15 17.701 1.875 . . . . . . . 53710 2 97 . 1 1 111 111 TYR N N 15 12.785 1.365 . . . . . . . 53710 2 98 . 1 1 112 112 PHE N N 15 16.651 0.875 . . . . . . . 53710 2 99 . 1 1 113 113 LYS N N 15 21.402 1.869 . . . . . . . 53710 2 100 . 1 1 114 114 ASP N N 15 16.162 0.779 . . . . . . . 53710 2 101 . 1 1 115 115 CYS N N 15 16.626 1.707 . . . . . . . 53710 2 102 . 1 1 116 116 LEU N N 15 12.511 1.455 . . . . . . . 53710 2 103 . 1 1 117 117 PHE N N 15 13.378 0.857 . . . . . . . 53710 2 104 . 1 1 118 118 LYS N N 15 11.031 0.625 . . . . . . . 53710 2 105 . 1 1 119 119 ASP N N 15 8.129 0.478 . . . . . . . 53710 2 106 . 1 1 120 120 TRP N N 15 7.481 0.135 . . . . . . . 53710 2 stop_ save_