data_50233 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50233 _Entry.Title ; Model-free analysis of 15N spin-relaxation data for TRBP2-dsRBD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-14 _Entry.Accession_date 2020-04-14 _Entry.Last_release_date 2020-04-22 _Entry.Original_release_date 2020-04-22 _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 'Solution state dynamics of TRBP2-dsRBD1 protein in apo-state' _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 Harshad Paithankar . . . . 50233 2 Jeetender Chugh . . . . 50233 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Indian Institute of Science, Education, and Research, Pune, India' . 50233 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 50233 heteronucl_T1_relaxation 2 50233 heteronucl_T2_relaxation 2 50233 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 138 50233 'T2 relaxation values' 138 50233 'heteronuclear NOE values' 138 50233 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 . . 2022-02-16 . original BMRB . 50233 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27262 'Chemical shift assignment for the protein TRBP2-dsRBD1' 50233 BMRB 50234 '15N-spin relaxation data for TRBP2-dsRBD1 dynamics in presence of D10-RNA' 50233 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50233 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35134335 _Citation.DOI 10.1016/j.bpj.2022.02.005 _Citation.Full_citation . _Citation.Title ; Relay of intrinsic microsecond timescale conformational dynamics observed in an RNA-binding domain of TRBP upon enthalpy-driven binding of dsRNA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _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 2022 _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 Harshad Paithankar H. . . . 50233 1 2 'Guneet Singh' Tarang G. S. . . 50233 1 3 Firdousi Parvez F. . . . 50233 1 4 Aniket Marathe A. . . . 50233 1 5 Manali Joshi M. . . . 50233 1 6 Jeetender Chugh J. . . . 50233 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50233 _Assembly.ID 1 _Assembly.Name TRBP2-dsRBD1 _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 TRBP2-dsRBD1 1 $entity_1 . . yes native no no . . . 50233 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'dsRNA-binding protein' 50233 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50233 _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 ; GGAMSEEEQGSGTTTGCGLP SIEQMLAANPGKTPISLLQE YGTRIGKTPVYDLLKAEGQA HQPNFTFRVTVGDTSCTGQG PSKKAAKHKAAEVALKHLKG GSMLEPAL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal residues GGA are non-native to the protein and are left after the cleavage of the fusion tag using protease.' _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Involved in RNAi, viral response, cell growth, cancer, etc.' 50233 1 'dsRNA-Binding Domain of TRBP2.' 50233 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 . GLY . 50233 1 2 . GLY . 50233 1 3 . ALA . 50233 1 4 . MET . 50233 1 5 . SER . 50233 1 6 . GLU . 50233 1 7 . GLU . 50233 1 8 . GLU . 50233 1 9 . GLN . 50233 1 10 . GLY . 50233 1 11 . SER . 50233 1 12 . GLY . 50233 1 13 . THR . 50233 1 14 . THR . 50233 1 15 . THR . 50233 1 16 . GLY . 50233 1 17 . CYS . 50233 1 18 . GLY . 50233 1 19 . LEU . 50233 1 20 . PRO . 50233 1 21 . SER . 50233 1 22 . ILE . 50233 1 23 . GLU . 50233 1 24 . GLN . 50233 1 25 . MET . 50233 1 26 . LEU . 50233 1 27 . ALA . 50233 1 28 . ALA . 50233 1 29 . ASN . 50233 1 30 . PRO . 50233 1 31 . GLY . 50233 1 32 . LYS . 50233 1 33 . THR . 50233 1 34 . PRO . 50233 1 35 . ILE . 50233 1 36 . SER . 50233 1 37 . LEU . 50233 1 38 . LEU . 50233 1 39 . GLN . 50233 1 40 . GLU . 50233 1 41 . TYR . 50233 1 42 . GLY . 50233 1 43 . THR . 50233 1 44 . ARG . 50233 1 45 . ILE . 50233 1 46 . GLY . 50233 1 47 . LYS . 50233 1 48 . THR . 50233 1 49 . PRO . 50233 1 50 . VAL . 50233 1 51 . TYR . 50233 1 52 . ASP . 50233 1 53 . LEU . 50233 1 54 . LEU . 50233 1 55 . LYS . 50233 1 56 . ALA . 50233 1 57 . GLU . 50233 1 58 . GLY . 50233 1 59 . GLN . 50233 1 60 . ALA . 50233 1 61 . HIS . 50233 1 62 . GLN . 50233 1 63 . PRO . 50233 1 64 . ASN . 50233 1 65 . PHE . 50233 1 66 . THR . 50233 1 67 . PHE . 50233 1 68 . ARG . 50233 1 69 . VAL . 50233 1 70 . THR . 50233 1 71 . VAL . 50233 1 72 . GLY . 50233 1 73 . ASP . 50233 1 74 . THR . 50233 1 75 . SER . 50233 1 76 . CYS . 50233 1 77 . THR . 50233 1 78 . GLY . 50233 1 79 . GLN . 50233 1 80 . GLY . 50233 1 81 . PRO . 50233 1 82 . SER . 50233 1 83 . LYS . 50233 1 84 . LYS . 50233 1 85 . ALA . 50233 1 86 . ALA . 50233 1 87 . LYS . 50233 1 88 . HIS . 50233 1 89 . LYS . 50233 1 90 . ALA . 50233 1 91 . ALA . 50233 1 92 . GLU . 50233 1 93 . VAL . 50233 1 94 . ALA . 50233 1 95 . LEU . 50233 1 96 . LYS . 50233 1 97 . HIS . 50233 1 98 . LEU . 50233 1 99 . LYS . 50233 1 100 . GLY . 50233 1 101 . GLY . 50233 1 102 . SER . 50233 1 103 . MET . 50233 1 104 . LEU . 50233 1 105 . GLU . 50233 1 106 . PRO . 50233 1 107 . ALA . 50233 1 108 . LEU . 50233 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 . GLY 1 1 50233 1 . GLY 2 2 50233 1 . ALA 3 3 50233 1 . MET 4 4 50233 1 . SER 5 5 50233 1 . GLU 6 6 50233 1 . GLU 7 7 50233 1 . GLU 8 8 50233 1 . GLN 9 9 50233 1 . GLY 10 10 50233 1 . SER 11 11 50233 1 . GLY 12 12 50233 1 . THR 13 13 50233 1 . THR 14 14 50233 1 . THR 15 15 50233 1 . GLY 16 16 50233 1 . CYS 17 17 50233 1 . GLY 18 18 50233 1 . LEU 19 19 50233 1 . PRO 20 20 50233 1 . SER 21 21 50233 1 . ILE 22 22 50233 1 . GLU 23 23 50233 1 . GLN 24 24 50233 1 . MET 25 25 50233 1 . LEU 26 26 50233 1 . ALA 27 27 50233 1 . ALA 28 28 50233 1 . ASN 29 29 50233 1 . PRO 30 30 50233 1 . GLY 31 31 50233 1 . LYS 32 32 50233 1 . THR 33 33 50233 1 . PRO 34 34 50233 1 . ILE 35 35 50233 1 . SER 36 36 50233 1 . LEU 37 37 50233 1 . LEU 38 38 50233 1 . GLN 39 39 50233 1 . GLU 40 40 50233 1 . TYR 41 41 50233 1 . GLY 42 42 50233 1 . THR 43 43 50233 1 . ARG 44 44 50233 1 . ILE 45 45 50233 1 . GLY 46 46 50233 1 . LYS 47 47 50233 1 . THR 48 48 50233 1 . PRO 49 49 50233 1 . VAL 50 50 50233 1 . TYR 51 51 50233 1 . ASP 52 52 50233 1 . LEU 53 53 50233 1 . LEU 54 54 50233 1 . LYS 55 55 50233 1 . ALA 56 56 50233 1 . GLU 57 57 50233 1 . GLY 58 58 50233 1 . GLN 59 59 50233 1 . ALA 60 60 50233 1 . HIS 61 61 50233 1 . GLN 62 62 50233 1 . PRO 63 63 50233 1 . ASN 64 64 50233 1 . PHE 65 65 50233 1 . THR 66 66 50233 1 . PHE 67 67 50233 1 . ARG 68 68 50233 1 . VAL 69 69 50233 1 . THR 70 70 50233 1 . VAL 71 71 50233 1 . GLY 72 72 50233 1 . ASP 73 73 50233 1 . THR 74 74 50233 1 . SER 75 75 50233 1 . CYS 76 76 50233 1 . THR 77 77 50233 1 . GLY 78 78 50233 1 . GLN 79 79 50233 1 . GLY 80 80 50233 1 . PRO 81 81 50233 1 . SER 82 82 50233 1 . LYS 83 83 50233 1 . LYS 84 84 50233 1 . ALA 85 85 50233 1 . ALA 86 86 50233 1 . LYS 87 87 50233 1 . HIS 88 88 50233 1 . LYS 89 89 50233 1 . ALA 90 90 50233 1 . ALA 91 91 50233 1 . GLU 92 92 50233 1 . VAL 93 93 50233 1 . ALA 94 94 50233 1 . LEU 95 95 50233 1 . LYS 96 96 50233 1 . HIS 97 97 50233 1 . LEU 98 98 50233 1 . LYS 99 99 50233 1 . GLY 100 100 50233 1 . GLY 101 101 50233 1 . SER 102 102 50233 1 . MET 103 103 50233 1 . LEU 104 104 50233 1 . GLU 105 105 50233 1 . PRO 106 106 50233 1 . ALA 107 107 50233 1 . LEU 108 108 50233 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 50233 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50233 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 50233 _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(DE3) . . plasmid . . pSV272 . . 'modified vector' 50233 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50233 _Sample.ID 1 _Sample.Name TRBP2-dsRBD1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein in Phosphate buffer (10 mM Sodium Phosphate, 100 mM NaCl, 1 mM EDTA, 1 mM DTT) pH 6.4' _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 TRBP2-dsRBD1 '[U-100% 15N]' . . 1 $entity_1 . . 1.8 . . mM . . . . 50233 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 50233 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50233 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 50233 1 5 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50233 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 50233 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 50233 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample-condition-1 _Sample_condition_list.Details '298 K, Phosphate buffer (10 mM Sodium Phosphate, 100 mM NaCl, 1 mM EDTA, 1 mM DTT) pH 6.4' 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 'ionic strength' 100 . mM 50233 1 pH 6.4 . pH 50233 1 pressure 1 . atm 50233 1 temperature 298 . K 50233 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50233 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details 'NMR data collection' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50233 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50233 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details 'Used for NMR data processing' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50233 2 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50233 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details 'Used for Peak picking and Intensity measurement' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 50233 3 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50233 _Software.ID 4 _Software.Type . _Software.Name Relax _Software.Version 4.0.3 _Software.DOI . _Software.Details 'Used for Model-free analysis' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50233 4 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 50233 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz NMR Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50233 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '750 MHz NMR Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 50233 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50233 1 2 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50233 1 3 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50233 1 4 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50233 1 5 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50233 1 6 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50233 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 50233 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name NOE-600MHz _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.4028155 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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' . . . 50233 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 . . 50233 1 2 $software_2 . . 50233 1 3 $software_4 . . 50233 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 5 5 SER N N 15 . 1 1 5 5 SER H H 1 -0.943 0.017 . . . . . . . . . . 50233 1 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.553 0.017 . . . . . . . . . . 50233 1 3 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 -0.482 0.017 . . . . . . . . . . 50233 1 4 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 -0.40852 0.017 . . . . . . . . . . 50233 1 5 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 -0.41468 0.017 . . . . . . . . . . 50233 1 6 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 -0.39942 0.017 . . . . . . . . . . 50233 1 7 . 1 1 13 13 THR N N 15 . 1 1 13 13 THR H H 1 -0.29971 0.017 . . . . . . . . . . 50233 1 8 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 -0.44817 0.017 . . . . . . . . . . 50233 1 9 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 -0.32864 0.017 . . . . . . . . . . 50233 1 10 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 -0.27994 0.017 . . . . . . . . . . 50233 1 11 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 -0.23416 0.017 . . . . . . . . . . 50233 1 12 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 -0.19033 0.017 . . . . . . . . . . 50233 1 13 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.11076 0.017 . . . . . . . . . . 50233 1 14 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.28698 0.017 . . . . . . . . . . 50233 1 15 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.50266 0.017 . . . . . . . . . . 50233 1 16 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.43471 0.017 . . . . . . . . . . 50233 1 17 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.37625 0.017 . . . . . . . . . . 50233 1 18 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.40542 0.017 . . . . . . . . . . 50233 1 19 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.54601 0.017 . . . . . . . . . . 50233 1 20 . 1 1 35 35 ILE N N 15 . 1 1 35 35 ILE H H 1 0.65528 0.017 . . . . . . . . . . 50233 1 21 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.75137 0.017 . . . . . . . . . . 50233 1 22 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.72614 0.017 . . . . . . . . . . 50233 1 23 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.47027 0.017 . . . . . . . . . . 50233 1 24 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.64816 0.017 . . . . . . . . . . 50233 1 25 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.72826 0.017 . . . . . . . . . . 50233 1 26 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.7434 0.017 . . . . . . . . . . 50233 1 27 . 1 1 44 44 ARG N N 15 . 1 1 44 44 ARG H H 1 0.71544 0.017 . . . . . . . . . . 50233 1 28 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.71123 0.017 . . . . . . . . . . 50233 1 29 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.71916 0.017 . . . . . . . . . . 50233 1 30 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.50137 0.017 . . . . . . . . . . 50233 1 31 . 1 1 48 48 THR N N 15 . 1 1 48 48 THR H H 1 0.46558 0.017 . . . . . . . . . . 50233 1 32 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.74246 0.017 . . . . . . . . . . 50233 1 33 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.74108 0.017 . . . . . . . . . . 50233 1 34 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.73598 0.017 . . . . . . . . . . 50233 1 35 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.72944 0.017 . . . . . . . . . . 50233 1 36 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.50404 0.017 . . . . . . . . . . 50233 1 37 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.37675 0.017 . . . . . . . . . . 50233 1 38 . 1 1 59 59 GLN N N 15 . 1 1 59 59 GLN H H 1 0.24395 0.017 . . . . . . . . . . 50233 1 39 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.25627 0.017 . . . . . . . . . . 50233 1 40 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.50208 0.017 . . . . . . . . . . 50233 1 41 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.68579 0.017 . . . . . . . . . . 50233 1 42 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.74553 0.017 . . . . . . . . . . 50233 1 43 . 1 1 67 67 PHE N N 15 . 1 1 67 67 PHE H H 1 0.73656 0.017 . . . . . . . . . . 50233 1 44 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.74448 0.017 . . . . . . . . . . 50233 1 45 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.71869 0.017 . . . . . . . . . . 50233 1 46 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 0.7309 0.017 . . . . . . . . . . 50233 1 47 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.71579 0.017 . . . . . . . . . . 50233 1 48 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.69357 0.017 . . . . . . . . . . 50233 1 49 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 0.6541 0.017 . . . . . . . . . . 50233 1 50 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.68785 0.017 . . . . . . . . . . 50233 1 51 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.68375 0.017 . . . . . . . . . . 50233 1 52 . 1 1 76 76 CYS N N 15 . 1 1 76 76 CYS H H 1 0.72375 0.017 . . . . . . . . . . 50233 1 53 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 0.68979 0.017 . . . . . . . . . . 50233 1 54 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.71743 0.017 . . . . . . . . . . 50233 1 55 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.67983 0.017 . . . . . . . . . . 50233 1 56 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.41743 0.017 . . . . . . . . . . 50233 1 57 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.69906 0.017 . . . . . . . . . . 50233 1 58 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.74704 0.017 . . . . . . . . . . 50233 1 59 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.76604 0.017 . . . . . . . . . . 50233 1 60 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 0.7127 0.017 . . . . . . . . . . 50233 1 61 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 0.70211 0.017 . . . . . . . . . . 50233 1 62 . 1 1 97 97 HIS N N 15 . 1 1 97 97 HIS H H 1 0.54704 0.017 . . . . . . . . . . 50233 1 63 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.54555 0.017 . . . . . . . . . . 50233 1 64 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.46826 0.017 . . . . . . . . . . 50233 1 65 . 1 1 101 101 GLY N N 15 . 1 1 101 101 GLY H H 1 0.41552 0.017 . . . . . . . . . . 50233 1 66 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.32767 0.017 . . . . . . . . . . 50233 1 67 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.13934 0.017 . . . . . . . . . . 50233 1 68 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 -0.65055 0.017 . . . . . . . . . . 50233 1 69 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 -0.72162 0.017 . . . . . . . . . . 50233 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 50233 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name NOE-750MHz _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.2835263 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _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' . . . 50233 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 . . 50233 2 2 $software_2 . . 50233 2 3 $software_4 . . 50233 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 5 5 SER N N 15 . 1 1 5 5 SER H H 1 -0.421 0.015 . . . . . . . . . . 50233 2 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.109 0.015 . . . . . . . . . . 50233 2 3 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.113 0.015 . . . . . . . . . . 50233 2 4 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 -0.115 0.015 . . . . . . . . . . 50233 2 5 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.0326 0.015 . . . . . . . . . . 50233 2 6 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 -0.0618 0.015 . . . . . . . . . . 50233 2 7 . 1 1 13 13 THR N N 15 . 1 1 13 13 THR H H 1 -0.0743 0.015 . . . . . . . . . . 50233 2 8 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 -0.0572 0.015 . . . . . . . . . . 50233 2 9 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 -0.0869 0.015 . . . . . . . . . . 50233 2 10 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 -0.0399 0.015 . . . . . . . . . . 50233 2 11 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.0635 0.015 . . . . . . . . . . 50233 2 12 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.0175 0.015 . . . . . . . . . . 50233 2 13 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.268 0.015 . . . . . . . . . . 50233 2 14 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.444 0.015 . . . . . . . . . . 50233 2 15 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.54262 0.015 . . . . . . . . . . 50233 2 16 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.55992 0.015 . . . . . . . . . . 50233 2 17 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.462 0.015 . . . . . . . . . . 50233 2 18 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.514 0.015 . . . . . . . . . . 50233 2 19 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.601 0.015 . . . . . . . . . . 50233 2 20 . 1 1 35 35 ILE N N 15 . 1 1 35 35 ILE H H 1 0.69763 0.015 . . . . . . . . . . 50233 2 21 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.817 0.015 . . . . . . . . . . 50233 2 22 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.78305 0.015 . . . . . . . . . . 50233 2 23 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.585 0.015 . . . . . . . . . . 50233 2 24 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.715 0.015 . . . . . . . . . . 50233 2 25 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.794 0.015 . . . . . . . . . . 50233 2 26 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.761 0.015 . . . . . . . . . . 50233 2 27 . 1 1 44 44 ARG N N 15 . 1 1 44 44 ARG H H 1 0.75 0.015 . . . . . . . . . . 50233 2 28 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.76609 0.015 . . . . . . . . . . 50233 2 29 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.792 0.015 . . . . . . . . . . 50233 2 30 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.60022 0.015 . . . . . . . . . . 50233 2 31 . 1 1 48 48 THR N N 15 . 1 1 48 48 THR H H 1 0.474 0.015 . . . . . . . . . . 50233 2 32 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.77834 0.015 . . . . . . . . . . 50233 2 33 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.725 0.015 . . . . . . . . . . 50233 2 34 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.74782 0.015 . . . . . . . . . . 50233 2 35 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.80752 0.015 . . . . . . . . . . 50233 2 36 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.55258 0.015 . . . . . . . . . . 50233 2 37 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.417 0.015 . . . . . . . . . . 50233 2 38 . 1 1 59 59 GLN N N 15 . 1 1 59 59 GLN H H 1 0.352 0.015 . . . . . . . . . . 50233 2 39 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.28068 0.015 . . . . . . . . . . 50233 2 40 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.546 0.015 . . . . . . . . . . 50233 2 41 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.73954 0.015 . . . . . . . . . . 50233 2 42 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.827 0.015 . . . . . . . . . . 50233 2 43 . 1 1 67 67 PHE N N 15 . 1 1 67 67 PHE H H 1 0.76569 0.015 . . . . . . . . . . 50233 2 44 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.78402 0.015 . . . . . . . . . . 50233 2 45 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.70392 0.015 . . . . . . . . . . 50233 2 46 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 0.751 0.015 . . . . . . . . . . 50233 2 47 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.71491 0.015 . . . . . . . . . . 50233 2 48 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.775 0.015 . . . . . . . . . . 50233 2 49 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 0.673 0.015 . . . . . . . . . . 50233 2 50 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.705 0.015 . . . . . . . . . . 50233 2 51 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.779 0.015 . . . . . . . . . . 50233 2 52 . 1 1 76 76 CYS N N 15 . 1 1 76 76 CYS H H 1 0.796 0.015 . . . . . . . . . . 50233 2 53 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 0.657 0.015 . . . . . . . . . . 50233 2 54 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.737 0.015 . . . . . . . . . . 50233 2 55 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.743 0.015 . . . . . . . . . . 50233 2 56 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.49607 0.015 . . . . . . . . . . 50233 2 57 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.82929 0.015 . . . . . . . . . . 50233 2 58 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.83668 0.015 . . . . . . . . . . 50233 2 59 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.787 0.015 . . . . . . . . . . 50233 2 60 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 1.14585 0.015 . . . . . . . . . . 50233 2 61 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 0.8487 0.015 . . . . . . . . . . 50233 2 62 . 1 1 97 97 HIS N N 15 . 1 1 97 97 HIS H H 1 0.618 0.015 . . . . . . . . . . 50233 2 63 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.58127 0.015 . . . . . . . . . . 50233 2 64 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.543 0.015 . . . . . . . . . . 50233 2 65 . 1 1 101 101 GLY N N 15 . 1 1 101 101 GLY H H 1 0.478 0.015 . . . . . . . . . . 50233 2 66 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.398 0.015 . . . . . . . . . . 50233 2 67 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.237 0.015 . . . . . . . . . . 50233 2 68 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 -0.219 0.015 . . . . . . . . . . 50233 2 69 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 -0.714 0.015 . . . . . . . . . . 50233 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 50233 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name R1-600MHz _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600.4028155 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _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 'T1/R1 relaxation' . . . 50233 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 . . 50233 1 2 $software_2 . . 50233 1 3 $software_4 . . 50233 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 5 5 SER N N 15 1.33039 0.04415 . . . . . 50233 1 2 . 1 1 6 6 GLU N N 15 1.52725 0.04718 . . . . . 50233 1 3 . 1 1 8 8 GLU N N 15 1.53529 0.02093 . . . . . 50233 1 4 . 1 1 10 10 GLY N N 15 1.51324 0.04352 . . . . . 50233 1 5 . 1 1 11 11 SER N N 15 1.48883 0.0474 . . . . . 50233 1 6 . 1 1 12 12 GLY N N 15 1.46451 0.05103 . . . . . 50233 1 7 . 1 1 13 13 THR N N 15 1.51531 0.04425 . . . . . 50233 1 8 . 1 1 14 14 THR N N 15 1.51044 0.05093 . . . . . 50233 1 9 . 1 1 15 15 THR N N 15 1.54652 0.04837 . . . . . 50233 1 10 . 1 1 16 16 GLY N N 15 1.49758 0.05116 . . . . . 50233 1 11 . 1 1 17 17 CYS N N 15 1.519 0.03897 . . . . . 50233 1 12 . 1 1 18 18 GLY N N 15 1.50352 0.05019 . . . . . 50233 1 13 . 1 1 19 19 LEU N N 15 1.47339 0.02269 . . . . . 50233 1 14 . 1 1 21 21 SER N N 15 1.64699 0.03995 . . . . . 50233 1 15 . 1 1 27 27 ALA N N 15 1.57579 0.02183 . . . . . 50233 1 16 . 1 1 28 28 ALA N N 15 1.59694 0.02481 . . . . . 50233 1 17 . 1 1 29 29 ASN N N 15 1.56473 0.04161 . . . . . 50233 1 18 . 1 1 31 31 GLY N N 15 1.52503 0.04818 . . . . . 50233 1 19 . 1 1 33 33 THR N N 15 1.50698 0.02209 . . . . . 50233 1 20 . 1 1 35 35 ILE N N 15 1.49312 0.02544 . . . . . 50233 1 21 . 1 1 36 36 SER N N 15 1.59717 0.03845 . . . . . 50233 1 22 . 1 1 37 37 LEU N N 15 1.53907 0.02741 . . . . . 50233 1 23 . 1 1 38 38 LEU N N 15 1.67011 0.02838 . . . . . 50233 1 24 . 1 1 39 39 GLN N N 15 1.58958 0.02956 . . . . . 50233 1 25 . 1 1 42 42 GLY N N 15 1.49469 0.02166 . . . . . 50233 1 26 . 1 1 43 43 THR N N 15 1.59104 0.02839 . . . . . 50233 1 27 . 1 1 44 44 ARG N N 15 1.52885 0.01947 . . . . . 50233 1 28 . 1 1 45 45 ILE N N 15 1.394 0.01374 . . . . . 50233 1 29 . 1 1 46 46 GLY N N 15 1.58238 0.01735 . . . . . 50233 1 30 . 1 1 47 47 LYS N N 15 1.54137 0.01521 . . . . . 50233 1 31 . 1 1 48 48 THR N N 15 1.24088 0.02122 . . . . . 50233 1 32 . 1 1 51 51 TYR N N 15 1.50925 0.02364 . . . . . 50233 1 33 . 1 1 52 52 ASP N N 15 1.48269 0.01752 . . . . . 50233 1 34 . 1 1 53 53 LEU N N 15 1.49067 0.02491 . . . . . 50233 1 35 . 1 1 54 54 LEU N N 15 1.55342 0.02329 . . . . . 50233 1 36 . 1 1 56 56 ALA N N 15 1.50034 0.03796 . . . . . 50233 1 37 . 1 1 57 57 GLU N N 15 1.43523 0.02364 . . . . . 50233 1 38 . 1 1 59 59 GLN N N 15 1.52082 0.0378 . . . . . 50233 1 39 . 1 1 60 60 ALA N N 15 1.48171 0.04809 . . . . . 50233 1 40 . 1 1 64 64 ASN N N 15 1.45893 0.02983 . . . . . 50233 1 41 . 1 1 65 65 PHE N N 15 1.44365 0.02 . . . . . 50233 1 42 . 1 1 66 66 THR N N 15 1.41522 0.02576 . . . . . 50233 1 43 . 1 1 67 67 PHE N N 15 1.55012 0.0267 . . . . . 50233 1 44 . 1 1 68 68 ARG N N 15 1.49106 0.02398 . . . . . 50233 1 45 . 1 1 69 69 VAL N N 15 1.64351 0.03513 . . . . . 50233 1 46 . 1 1 70 70 THR N N 15 1.54901 0.02354 . . . . . 50233 1 47 . 1 1 71 71 VAL N N 15 1.53765 0.02638 . . . . . 50233 1 48 . 1 1 72 72 GLY N N 15 1.53248 0.03164 . . . . . 50233 1 49 . 1 1 73 73 ASP N N 15 1.3845 0.04726 . . . . . 50233 1 50 . 1 1 74 74 THR N N 15 1.50874 0.04921 . . . . . 50233 1 51 . 1 1 75 75 SER N N 15 1.56783 0.03312 . . . . . 50233 1 52 . 1 1 76 76 CYS N N 15 1.58427 0.01876 . . . . . 50233 1 53 . 1 1 77 77 THR N N 15 1.49991 0.0238 . . . . . 50233 1 54 . 1 1 78 78 GLY N N 15 1.56592 0.01544 . . . . . 50233 1 55 . 1 1 80 80 GLY N N 15 1.49505 0.01429 . . . . . 50233 1 56 . 1 1 83 83 LYS N N 15 1.7227 0.03826 . . . . . 50233 1 57 . 1 1 85 85 ALA N N 15 1.49691 0.01799 . . . . . 50233 1 58 . 1 1 91 91 ALA N N 15 1.32215 0.02643 . . . . . 50233 1 59 . 1 1 92 92 GLU N N 15 1.39025 0.01312 . . . . . 50233 1 60 . 1 1 93 93 VAL N N 15 1.47559 0.02947 . . . . . 50233 1 61 . 1 1 94 94 ALA N N 15 1.45111 0.01586 . . . . . 50233 1 62 . 1 1 97 97 HIS N N 15 1.69925 0.0372 . . . . . 50233 1 63 . 1 1 98 98 LEU N N 15 1.51117 0.01224 . . . . . 50233 1 64 . 1 1 100 100 GLY N N 15 1.63936 0.04307 . . . . . 50233 1 65 . 1 1 101 101 GLY N N 15 1.72952 0.04793 . . . . . 50233 1 66 . 1 1 102 102 SER N N 15 1.68625 0.04852 . . . . . 50233 1 67 . 1 1 104 104 LEU N N 15 1.64897 0.02614 . . . . . 50233 1 68 . 1 1 107 107 ALA N N 15 1.32255 0.02156 . . . . . 50233 1 69 . 1 1 108 108 LEU N N 15 0.88259 0.01038 . . . . . 50233 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 50233 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name R1-750MHz _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 750.2835263 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _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 4 'T1/R1 relaxation' . . . 50233 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 . . 50233 2 2 $software_2 . . 50233 2 3 $software_4 . . 50233 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 5 5 SER N N 15 1.64094 0.07614 . . . . . 50233 2 2 . 1 1 6 6 GLU N N 15 1.79098 0.07963 . . . . . 50233 2 3 . 1 1 8 8 GLU N N 15 1.65033 0.07131 . . . . . 50233 2 4 . 1 1 10 10 GLY N N 15 1.65373 0.05658 . . . . . 50233 2 5 . 1 1 11 11 SER N N 15 1.65387 0.06533 . . . . . 50233 2 6 . 1 1 12 12 GLY N N 15 1.64787 0.06606 . . . . . 50233 2 7 . 1 1 13 13 THR N N 15 1.63832 0.08247 . . . . . 50233 2 8 . 1 1 14 14 THR N N 15 1.74321 0.06718 . . . . . 50233 2 9 . 1 1 15 15 THR N N 15 1.74859 0.05526 . . . . . 50233 2 10 . 1 1 16 16 GLY N N 15 1.62108 0.06662 . . . . . 50233 2 11 . 1 1 17 17 CYS N N 15 1.66046 0.06184 . . . . . 50233 2 12 . 1 1 18 18 GLY N N 15 1.61728 0.06217 . . . . . 50233 2 13 . 1 1 19 19 LEU N N 15 1.48027 0.04466 . . . . . 50233 2 14 . 1 1 21 21 SER N N 15 1.69574 0.06775 . . . . . 50233 2 15 . 1 1 27 27 ALA N N 15 1.4602 0.05448 . . . . . 50233 2 16 . 1 1 28 28 ALA N N 15 1.53604 0.04428 . . . . . 50233 2 17 . 1 1 29 29 ASN N N 15 1.5467 0.04173 . . . . . 50233 2 18 . 1 1 31 31 GLY N N 15 1.58855 0.06059 . . . . . 50233 2 19 . 1 1 33 33 THR N N 15 1.43443 0.03785 . . . . . 50233 2 20 . 1 1 35 35 ILE N N 15 1.34486 0.02918 . . . . . 50233 2 21 . 1 1 36 36 SER N N 15 1.51809 0.03016 . . . . . 50233 2 22 . 1 1 37 37 LEU N N 15 1.4073 0.03315 . . . . . 50233 2 23 . 1 1 38 38 LEU N N 15 1.61988 0.08241 . . . . . 50233 2 24 . 1 1 39 39 GLN N N 15 1.34959 0.05908 . . . . . 50233 2 25 . 1 1 42 42 GLY N N 15 1.38611 0.04295 . . . . . 50233 2 26 . 1 1 43 43 THR N N 15 1.43206 0.02501 . . . . . 50233 2 27 . 1 1 44 44 ARG N N 15 1.33716 0.03588 . . . . . 50233 2 28 . 1 1 45 45 ILE N N 15 1.3094 0.03253 . . . . . 50233 2 29 . 1 1 46 46 GLY N N 15 1.4549 0.0358 . . . . . 50233 2 30 . 1 1 47 47 LYS N N 15 1.47104 0.05538 . . . . . 50233 2 31 . 1 1 48 48 THR N N 15 1.24158 0.02307 . . . . . 50233 2 32 . 1 1 51 51 TYR N N 15 1.28167 0.0646 . . . . . 50233 2 33 . 1 1 52 52 ASP N N 15 1.23899 0.06317 . . . . . 50233 2 34 . 1 1 53 53 LEU N N 15 1.25172 0.08325 . . . . . 50233 2 35 . 1 1 54 54 LEU N N 15 1.42489 0.04499 . . . . . 50233 2 36 . 1 1 56 56 ALA N N 15 1.48235 0.05073 . . . . . 50233 2 37 . 1 1 57 57 GLU N N 15 1.44565 0.03971 . . . . . 50233 2 38 . 1 1 59 59 GLN N N 15 1.61178 0.04691 . . . . . 50233 2 39 . 1 1 60 60 ALA N N 15 1.69203 0.06404 . . . . . 50233 2 40 . 1 1 64 64 ASN N N 15 1.4546 0.04351 . . . . . 50233 2 41 . 1 1 65 65 PHE N N 15 1.30701 0.09448 . . . . . 50233 2 42 . 1 1 66 66 THR N N 15 1.46691 0.09394 . . . . . 50233 2 43 . 1 1 67 67 PHE N N 15 1.2526 0.11264 . . . . . 50233 2 44 . 1 1 68 68 ARG N N 15 1.34001 0.06148 . . . . . 50233 2 45 . 1 1 69 69 VAL N N 15 1.33656 0.06344 . . . . . 50233 2 46 . 1 1 70 70 THR N N 15 1.41338 0.03125 . . . . . 50233 2 47 . 1 1 71 71 VAL N N 15 1.26931 0.03277 . . . . . 50233 2 48 . 1 1 72 72 GLY N N 15 1.39606 0.05698 . . . . . 50233 2 49 . 1 1 73 73 ASP N N 15 1.28173 0.08781 . . . . . 50233 2 50 . 1 1 74 74 THR N N 15 1.38993 0.03656 . . . . . 50233 2 51 . 1 1 75 75 SER N N 15 1.51148 0.05874 . . . . . 50233 2 52 . 1 1 76 76 CYS N N 15 1.49047 0.05105 . . . . . 50233 2 53 . 1 1 77 77 THR N N 15 1.34237 0.03625 . . . . . 50233 2 54 . 1 1 78 78 GLY N N 15 1.42232 0.03843 . . . . . 50233 2 55 . 1 1 80 80 GLY N N 15 1.31186 0.06994 . . . . . 50233 2 56 . 1 1 83 83 LYS N N 15 1.68795 0.06162 . . . . . 50233 2 57 . 1 1 85 85 ALA N N 15 1.27517 0.0386 . . . . . 50233 2 58 . 1 1 91 91 ALA N N 15 1.21434 0.0418 . . . . . 50233 2 59 . 1 1 92 92 GLU N N 15 1.08836 0.03759 . . . . . 50233 2 60 . 1 1 93 93 VAL N N 15 1.46911 0.05962 . . . . . 50233 2 61 . 1 1 94 94 ALA N N 15 1.35379 0.02695 . . . . . 50233 2 62 . 1 1 97 97 HIS N N 15 1.54069 0.06487 . . . . . 50233 2 63 . 1 1 98 98 LEU N N 15 1.3962 0.08049 . . . . . 50233 2 64 . 1 1 100 100 GLY N N 15 1.55767 0.06019 . . . . . 50233 2 65 . 1 1 101 101 GLY N N 15 1.69474 0.06694 . . . . . 50233 2 66 . 1 1 102 102 SER N N 15 1.7307 0.05233 . . . . . 50233 2 67 . 1 1 104 104 LEU N N 15 1.66713 0.06271 . . . . . 50233 2 68 . 1 1 107 107 ALA N N 15 1.48695 0.03268 . . . . . 50233 2 69 . 1 1 108 108 LEU N N 15 0.87356 0.02719 . . . . . 50233 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 50233 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name R2-600MHz _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'No Calibration' _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.4021855 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _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' . . . 50233 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 . . 50233 1 2 $software_2 . . 50233 1 3 $software_4 . . 50233 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 5 5 SER N N 15 1.72429 0.05708 . . . . . . . 50233 1 2 . 1 1 6 6 GLU N N 15 1.9954 0.16517 . . . . . . . 50233 1 3 . 1 1 8 8 GLU N N 15 2.0638 0.06589 . . . . . . . 50233 1 4 . 1 1 10 10 GLY N N 15 2.27359 0.15229 . . . . . . . 50233 1 5 . 1 1 11 11 SER N N 15 2.27424 0.04249 . . . . . . . 50233 1 6 . 1 1 12 12 GLY N N 15 2.20169 0.09287 . . . . . . . 50233 1 7 . 1 1 13 13 THR N N 15 2.0584 0.04787 . . . . . . . 50233 1 8 . 1 1 14 14 THR N N 15 2.35315 0.03528 . . . . . . . 50233 1 9 . 1 1 15 15 THR N N 15 2.49504 0.04178 . . . . . . . 50233 1 10 . 1 1 16 16 GLY N N 15 2.48716 0.13859 . . . . . . . 50233 1 11 . 1 1 17 17 CYS N N 15 2.6312 0.05194 . . . . . . . 50233 1 12 . 1 1 18 18 GLY N N 15 2.91992 0.15752 . . . . . . . 50233 1 13 . 1 1 19 19 LEU N N 15 4.26137 0.20329 . . . . . . . 50233 1 14 . 1 1 21 21 SER N N 15 5.88796 0.05653 . . . . . . . 50233 1 15 . 1 1 27 27 ALA N N 15 7.98091 0.16177 . . . . . . . 50233 1 16 . 1 1 28 28 ALA N N 15 8.54037 0.10657 . . . . . . . 50233 1 17 . 1 1 29 29 ASN N N 15 7.21593 0.07686 . . . . . . . 50233 1 18 . 1 1 31 31 GLY N N 15 6.53741 0.20805 . . . . . . . 50233 1 19 . 1 1 33 33 THR N N 15 8.6563 0.26605 . . . . . . . 50233 1 20 . 1 1 35 35 ILE N N 15 11.02334 0.13712 . . . . . . . 50233 1 21 . 1 1 36 36 SER N N 15 12.76585 0.11545 . . . . . . . 50233 1 22 . 1 1 37 37 LEU N N 15 9.8295 0.45349 . . . . . . . 50233 1 23 . 1 1 38 38 LEU N N 15 7.53517 0.06566 . . . . . . . 50233 1 24 . 1 1 39 39 GLN N N 15 11.03044 0.25597 . . . . . . . 50233 1 25 . 1 1 42 42 GLY N N 15 12.15145 0.06306 . . . . . . . 50233 1 26 . 1 1 43 43 THR N N 15 12.20609 0.12706 . . . . . . . 50233 1 27 . 1 1 44 44 ARG N N 15 11.03499 0.11176 . . . . . . . 50233 1 28 . 1 1 45 45 ILE N N 15 10.94381 0.3301 . . . . . . . 50233 1 29 . 1 1 46 46 GLY N N 15 10.05963 0.34279 . . . . . . . 50233 1 30 . 1 1 47 47 LYS N N 15 6.51376 0.11452 . . . . . . . 50233 1 31 . 1 1 48 48 THR N N 15 7.34617 0.05138 . . . . . . . 50233 1 32 . 1 1 51 51 TYR N N 15 10.41174 0.11062 . . . . . . . 50233 1 33 . 1 1 52 52 ASP N N 15 10.18591 0.22791 . . . . . . . 50233 1 34 . 1 1 53 53 LEU N N 15 10.13838 0.12367 . . . . . . . 50233 1 35 . 1 1 54 54 LEU N N 15 11.73108 0.11733 . . . . . . . 50233 1 36 . 1 1 56 56 ALA N N 15 7.91246 0.15652 . . . . . . . 50233 1 37 . 1 1 57 57 GLU N N 15 7.12364 0.14319 . . . . . . . 50233 1 38 . 1 1 59 59 GLN N N 15 5.52504 0.06424 . . . . . . . 50233 1 39 . 1 1 60 60 ALA N N 15 5.92053 0.13177 . . . . . . . 50233 1 40 . 1 1 64 64 ASN N N 15 9.17123 0.05539 . . . . . . . 50233 1 41 . 1 1 65 65 PHE N N 15 10.40127 0.2539 . . . . . . . 50233 1 42 . 1 1 66 66 THR N N 15 10.75731 0.08857 . . . . . . . 50233 1 43 . 1 1 67 67 PHE N N 15 10.10282 0.21245 . . . . . . . 50233 1 44 . 1 1 68 68 ARG N N 15 10.30251 0.09318 . . . . . . . 50233 1 45 . 1 1 69 69 VAL N N 15 10.35565 0.41005 . . . . . . . 50233 1 46 . 1 1 70 70 THR N N 15 10.33627 0.16756 . . . . . . . 50233 1 47 . 1 1 71 71 VAL N N 15 9.80506 0.22779 . . . . . . . 50233 1 48 . 1 1 72 72 GLY N N 15 10.37983 0.0726 . . . . . . . 50233 1 49 . 1 1 73 73 ASP N N 15 10.53997 0.13907 . . . . . . . 50233 1 50 . 1 1 74 74 THR N N 15 10.39502 0.10993 . . . . . . . 50233 1 51 . 1 1 75 75 SER N N 15 9.62867 0.09462 . . . . . . . 50233 1 52 . 1 1 76 76 CYS N N 15 10.3639 0.09098 . . . . . . . 50233 1 53 . 1 1 77 77 THR N N 15 9.64631 0.34688 . . . . . . . 50233 1 54 . 1 1 78 78 GLY N N 15 11.5773 0.10662 . . . . . . . 50233 1 55 . 1 1 80 80 GLY N N 15 11.82956 0.04194 . . . . . . . 50233 1 56 . 1 1 83 83 LYS N N 15 8.30539 0.12779 . . . . . . . 50233 1 57 . 1 1 85 85 ALA N N 15 12.42061 0.47761 . . . . . . . 50233 1 58 . 1 1 91 91 ALA N N 15 14.70904 0.22373 . . . . . . . 50233 1 59 . 1 1 92 92 GLU N N 15 14.30498 0.22763 . . . . . . . 50233 1 60 . 1 1 93 93 VAL N N 15 9.02161 0.14324 . . . . . . . 50233 1 61 . 1 1 94 94 ALA N N 15 11.89348 0.36444 . . . . . . . 50233 1 62 . 1 1 97 97 HIS N N 15 7.88686 0.08134 . . . . . . . 50233 1 63 . 1 1 98 98 LEU N N 15 7.69281 0.16979 . . . . . . . 50233 1 64 . 1 1 100 100 GLY N N 15 9.07218 0.11753 . . . . . . . 50233 1 65 . 1 1 101 101 GLY N N 15 4.74369 0.24085 . . . . . . . 50233 1 66 . 1 1 102 102 SER N N 15 4.86459 0.04994 . . . . . . . 50233 1 67 . 1 1 104 104 LEU N N 15 3.89568 0.16713 . . . . . . . 50233 1 68 . 1 1 107 107 ALA N N 15 2.33639 0.25649 . . . . . . . 50233 1 69 . 1 1 108 108 LEU N N 15 1.73051 0.11091 . . . . . . . 50233 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 50233 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name R2-750MHz _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'No Calibration' _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 750.2835263 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _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' . . . 50233 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 . . 50233 2 2 $software_2 . . 50233 2 3 $software_4 . . 50233 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 5 5 SER N N 15 1.92805 0.37807 . . . . . . . 50233 2 2 . 1 1 6 6 GLU N N 15 1.95141 0.38408 . . . . . . . 50233 2 3 . 1 1 8 8 GLU N N 15 2.19078 0.20563 . . . . . . . 50233 2 4 . 1 1 10 10 GLY N N 15 1.58198 0.45614 . . . . . . . 50233 2 5 . 1 1 11 11 SER N N 15 2.14833 0.38324 . . . . . . . 50233 2 6 . 1 1 12 12 GLY N N 15 2.10264 0.40451 . . . . . . . 50233 2 7 . 1 1 13 13 THR N N 15 1.742 0.41633 . . . . . . . 50233 2 8 . 1 1 14 14 THR N N 15 2.27191 0.41698 . . . . . . . 50233 2 9 . 1 1 15 15 THR N N 15 2.4824 0.41372 . . . . . . . 50233 2 10 . 1 1 16 16 GLY N N 15 2.33264 0.36702 . . . . . . . 50233 2 11 . 1 1 17 17 CYS N N 15 2.63143 0.46038 . . . . . . . 50233 2 12 . 1 1 18 18 GLY N N 15 2.74627 0.41011 . . . . . . . 50233 2 13 . 1 1 19 19 LEU N N 15 4.40175 0.29874 . . . . . . . 50233 2 14 . 1 1 21 21 SER N N 15 6.82739 0.39408 . . . . . . . 50233 2 15 . 1 1 27 27 ALA N N 15 8.30139 0.28774 . . . . . . . 50233 2 16 . 1 1 28 28 ALA N N 15 9.30146 0.28017 . . . . . . . 50233 2 17 . 1 1 29 29 ASN N N 15 7.5655 0.37046 . . . . . . . 50233 2 18 . 1 1 31 31 GLY N N 15 9.65134 0.48893 . . . . . . . 50233 2 19 . 1 1 33 33 THR N N 15 9.21394 0.26741 . . . . . . . 50233 2 20 . 1 1 35 35 ILE N N 15 10.55544 0.32578 . . . . . . . 50233 2 21 . 1 1 36 36 SER N N 15 13.31062 0.40919 . . . . . . . 50233 2 22 . 1 1 37 37 LEU N N 15 9.33091 1.02759 . . . . . . . 50233 2 23 . 1 1 38 38 LEU N N 15 7.96086 0.19151 . . . . . . . 50233 2 24 . 1 1 39 39 GLN N N 15 11.01736 1.11373 . . . . . . . 50233 2 25 . 1 1 42 42 GLY N N 15 12.93105 0.29454 . . . . . . . 50233 2 26 . 1 1 43 43 THR N N 15 12.87126 0.32091 . . . . . . . 50233 2 27 . 1 1 44 44 ARG N N 15 11.05073 0.28791 . . . . . . . 50233 2 28 . 1 1 45 45 ILE N N 15 13.21877 0.50311 . . . . . . . 50233 2 29 . 1 1 46 46 GLY N N 15 10.53372 0.15163 . . . . . . . 50233 2 30 . 1 1 47 47 LYS N N 15 7.32286 0.18502 . . . . . . . 50233 2 31 . 1 1 48 48 THR N N 15 8.05199 0.24177 . . . . . . . 50233 2 32 . 1 1 51 51 TYR N N 15 11.51346 0.18755 . . . . . . . 50233 2 33 . 1 1 52 52 ASP N N 15 10.28292 0.29288 . . . . . . . 50233 2 34 . 1 1 53 53 LEU N N 15 11.25151 0.3392 . . . . . . . 50233 2 35 . 1 1 54 54 LEU N N 15 12.70743 0.47024 . . . . . . . 50233 2 36 . 1 1 56 56 ALA N N 15 8.75868 0.43387 . . . . . . . 50233 2 37 . 1 1 57 57 GLU N N 15 7.06176 0.32754 . . . . . . . 50233 2 38 . 1 1 59 59 GLN N N 15 5.7546 0.43345 . . . . . . . 50233 2 39 . 1 1 60 60 ALA N N 15 5.93931 0.51696 . . . . . . . 50233 2 40 . 1 1 64 64 ASN N N 15 9.47843 0.22328 . . . . . . . 50233 2 41 . 1 1 65 65 PHE N N 15 9.92938 0.15715 . . . . . . . 50233 2 42 . 1 1 66 66 THR N N 15 11.04097 0.30522 . . . . . . . 50233 2 43 . 1 1 67 67 PHE N N 15 11.79684 0.26735 . . . . . . . 50233 2 44 . 1 1 68 68 ARG N N 15 10.30006 0.31751 . . . . . . . 50233 2 45 . 1 1 69 69 VAL N N 15 12.01362 0.31469 . . . . . . . 50233 2 46 . 1 1 70 70 THR N N 15 10.09449 0.59377 . . . . . . . 50233 2 47 . 1 1 71 71 VAL N N 15 11.02039 0.38314 . . . . . . . 50233 2 48 . 1 1 72 72 GLY N N 15 11.15416 0.30543 . . . . . . . 50233 2 49 . 1 1 73 73 ASP N N 15 11.18802 0.53686 . . . . . . . 50233 2 50 . 1 1 74 74 THR N N 15 10.96853 0.4446 . . . . . . . 50233 2 51 . 1 1 75 75 SER N N 15 10.02292 0.32745 . . . . . . . 50233 2 52 . 1 1 76 76 CYS N N 15 10.64671 0.21034 . . . . . . . 50233 2 53 . 1 1 77 77 THR N N 15 6.93835 0.34707 . . . . . . . 50233 2 54 . 1 1 78 78 GLY N N 15 12.66999 0.43955 . . . . . . . 50233 2 55 . 1 1 80 80 GLY N N 15 12.03935 0.15821 . . . . . . . 50233 2 56 . 1 1 83 83 LYS N N 15 8.99268 0.4393 . . . . . . . 50233 2 57 . 1 1 85 85 ALA N N 15 14.79127 1.72333 . . . . . . . 50233 2 58 . 1 1 91 91 ALA N N 15 18.20426 0.4905 . . . . . . . 50233 2 59 . 1 1 92 92 GLU N N 15 15.16051 0.18385 . . . . . . . 50233 2 60 . 1 1 93 93 VAL N N 15 9.96511 0.6787 . . . . . . . 50233 2 61 . 1 1 94 94 ALA N N 15 11.62751 0.41753 . . . . . . . 50233 2 62 . 1 1 97 97 HIS N N 15 7.79195 0.38842 . . . . . . . 50233 2 63 . 1 1 98 98 LEU N N 15 7.4702 0.24896 . . . . . . . 50233 2 64 . 1 1 100 100 GLY N N 15 9.2631 0.48973 . . . . . . . 50233 2 65 . 1 1 101 101 GLY N N 15 6.41081 0.44706 . . . . . . . 50233 2 66 . 1 1 102 102 SER N N 15 5.25492 0.38845 . . . . . . . 50233 2 67 . 1 1 104 104 LEU N N 15 4.62524 0.51261 . . . . . . . 50233 2 68 . 1 1 107 107 ALA N N 15 0.45549 0.57953 . . . . . . . 50233 2 69 . 1 1 108 108 LEU N N 15 1.39214 0.09133 . . . . . . . 50233 2 stop_ save_