data_52719 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52719 _Entry.Title ; RfhA-CTD minor state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-11-25 _Entry.Accession_date 2024-11-25 _Entry.Last_release_date 2024-12-10 _Entry.Original_release_date 2024-12-10 _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 . _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 Mengli Cai . . . . 52719 2 Jinfa Ying . . . . 52719 3 Juan Lopez . . . . 52719 4 Ying Huang . . . . 52719 5 Marius Clore . . . . 52719 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID RDCs 1 52719 assigned_chemical_shifts 1 52719 heteronucl_NOEs 1 52719 heteronucl_T1_relaxation 1 52719 heteronucl_T1rho_relaxation 1 52719 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 156 52719 '15N chemical shifts' 52 52719 '1H chemical shifts' 88 52719 'T1 relaxation values' 40 52719 'T1rho relaxation values' 40 52719 'heteronuclear NOE values' 49 52719 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 . . 2025-11-20 . original BMRB . 52719 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52718 'RfaH-CTD major state' 52719 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52719 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40366684 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Unraveling structural transitions and kinetics along the fold-switching pathway of the RfaH C-terminal domain using exchange-based NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 122 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2506441122 _Citation.Page_last e2506441122 _Citation.Year 2025 _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 Mengli Cai . . . . 52719 1 2 Jinfa Ying . . . . 52719 1 3 Juan Lopez . . . . 52719 1 4 Ying Huang . . . . 52719 1 5 Marius Clore . . . . 52719 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52719 _Assembly.ID 1 _Assembly.Name 'Rfah-CTD-minor state' _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 yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _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 'Rfah-CTD minor state' 1 $entity_1 . . yes native no no . . . 52719 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52719 _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 ; KDIVDPATPYPGDKVIITEG AFEGFQAIFTEPDGEARSML LLNLINKEIKHSVKNTEFRK L ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 ; The first residue in the sequence is 102. Complete AA sequence: MQSWYLLYCKRGQLQRAQEHLERQAVNCLAPMITLEKIVRGKRTAVSEPLFPNYLFVEFD PEVIHTTTINATRGVSHFVRFGASPAIVPSAVIHQLSVYKPKDIVDPATPYPGDKVIITE GAFEGFQAIFTEPDGEARSMLLLNLINKEIKHSVKNTEFRKL ; _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 'transcription factor' 52719 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 1 101 PRO . 52719 1 2 102 LYS . 52719 1 3 103 ASP . 52719 1 4 104 ILE . 52719 1 5 105 VAL . 52719 1 6 106 ASP . 52719 1 7 107 PRO . 52719 1 8 108 ALA . 52719 1 9 109 THR . 52719 1 10 110 PRO . 52719 1 11 111 TYR . 52719 1 12 112 PRO . 52719 1 13 113 GLY . 52719 1 14 114 ASP . 52719 1 15 115 LYS . 52719 1 16 116 VAL . 52719 1 17 117 ILE . 52719 1 18 118 ILE . 52719 1 19 119 THR . 52719 1 20 120 GLU . 52719 1 21 121 GLY . 52719 1 22 122 ALA . 52719 1 23 123 PHE . 52719 1 24 124 GLU . 52719 1 25 125 GLY . 52719 1 26 126 PHE . 52719 1 27 127 GLN . 52719 1 28 128 ALA . 52719 1 29 129 ILE . 52719 1 30 130 PHE . 52719 1 31 131 THR . 52719 1 32 132 GLU . 52719 1 33 133 PRO . 52719 1 34 134 ASP . 52719 1 35 135 GLY . 52719 1 36 136 GLU . 52719 1 37 137 ALA . 52719 1 38 138 ARG . 52719 1 39 139 SER . 52719 1 40 140 MET . 52719 1 41 141 LEU . 52719 1 42 142 LEU . 52719 1 43 143 LEU . 52719 1 44 144 ASN . 52719 1 45 145 LEU . 52719 1 46 146 ILE . 52719 1 47 147 ASN . 52719 1 48 148 LYS . 52719 1 49 149 GLU . 52719 1 50 150 ILE . 52719 1 51 151 LYS . 52719 1 52 152 HIS . 52719 1 53 153 SER . 52719 1 54 154 VAL . 52719 1 55 155 LYS . 52719 1 56 156 ASN . 52719 1 57 157 THR . 52719 1 58 158 GLU . 52719 1 59 159 PHE . 52719 1 60 160 ARG . 52719 1 61 161 LYS . 52719 1 62 162 LEU . 52719 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 . PRO 1 1 52719 1 . LYS 2 2 52719 1 . ASP 3 3 52719 1 . ILE 4 4 52719 1 . VAL 5 5 52719 1 . ASP 6 6 52719 1 . PRO 7 7 52719 1 . ALA 8 8 52719 1 . THR 9 9 52719 1 . PRO 10 10 52719 1 . TYR 11 11 52719 1 . PRO 12 12 52719 1 . GLY 13 13 52719 1 . ASP 14 14 52719 1 . LYS 15 15 52719 1 . VAL 16 16 52719 1 . ILE 17 17 52719 1 . ILE 18 18 52719 1 . THR 19 19 52719 1 . GLU 20 20 52719 1 . GLY 21 21 52719 1 . ALA 22 22 52719 1 . PHE 23 23 52719 1 . GLU 24 24 52719 1 . GLY 25 25 52719 1 . PHE 26 26 52719 1 . GLN 27 27 52719 1 . ALA 28 28 52719 1 . ILE 29 29 52719 1 . PHE 30 30 52719 1 . THR 31 31 52719 1 . GLU 32 32 52719 1 . PRO 33 33 52719 1 . ASP 34 34 52719 1 . GLY 35 35 52719 1 . GLU 36 36 52719 1 . ALA 37 37 52719 1 . ARG 38 38 52719 1 . SER 39 39 52719 1 . MET 40 40 52719 1 . LEU 41 41 52719 1 . LEU 42 42 52719 1 . LEU 43 43 52719 1 . ASN 44 44 52719 1 . LEU 45 45 52719 1 . ILE 46 46 52719 1 . ASN 47 47 52719 1 . LYS 48 48 52719 1 . GLU 49 49 52719 1 . ILE 50 50 52719 1 . LYS 51 51 52719 1 . HIS 52 52 52719 1 . SER 53 53 52719 1 . VAL 54 54 52719 1 . LYS 55 55 52719 1 . ASN 56 56 52719 1 . THR 57 57 52719 1 . GLU 58 58 52719 1 . PHE 59 59 52719 1 . ARG 60 60 52719 1 . LYS 61 61 52719 1 . LEU 62 62 52719 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 52719 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52719 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 52719 _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 . . . plasmid . . pet11a . . . 52719 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52719 _Sample.ID 1 _Sample.Name water _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'RfaH-CTD-minor state' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52719 1 2 'RfaH-CTD-minor state' [U-15N] . . 1 $entity_1 . . 1 . . mM . . . . 52719 1 3 'RfaH-CTD-minor state' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1 . . mM . . . . 52719 1 4 Kpi 'natural abundance' . . . . . . 25 . . mM . . . . 52719 1 5 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52719 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 52719 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _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 'ionic strength' 0.025 . M 52719 1 pH 6.5 . pH 52719 1 pressure 1 . atm 52719 1 temperature 298 . K 52719 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52719 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52719 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52719 _Software.ID 2 _Software.Type . _Software.Name PIPP _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52719 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 52719 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name neo500 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52719 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name neo600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52719 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name neo900 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 52719 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name neo700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 52719 _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 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 52719 1 2 'T1/R1 relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52719 1 3 'T1rho/R1rho relaxation' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52719 1 4 '1H-15N heteronoe' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52719 1 5 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52719 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52719 1 7 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52719 1 8 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52719 1 9 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52719 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52719 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name standard _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52719 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52719 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52719 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52719 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Rfah-CTD minor state' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '3D HNCACB' . . . 52719 1 7 '3D HNCO' . . . 52719 1 8 '3D HNCA' . . . 52719 1 9 '3D HN(CO)CA' . . . 52719 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52719 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 VAL CB C 13 32.717 . . . . . . . . 105 VAL CB . 52719 1 2 . 1 . 1 6 6 ASP H H 1 8.416 . . . . . . . . 106 ASP HN . 52719 1 3 . 1 . 1 6 6 ASP CB C 13 41.214 . . . . . . . . 106 ASP CB . 52719 1 4 . 1 . 1 6 6 ASP N N 15 126.000 . . . . . . . . 106 ASP N . 52719 1 5 . 1 . 1 7 7 PRO CA C 13 63.417 . . . . . . . . 107 PRO CA . 52719 1 6 . 1 . 1 7 7 PRO CB C 13 32.011 . . . . . . . . 107 PRO CB . 52719 1 7 . 1 . 1 8 8 ALA H H 1 8.370 . . . . . . . . 108 ALA HN . 52719 1 8 . 1 . 1 8 8 ALA HA H 1 4.298 . . . . . . . . 108 ALA HA . 52719 1 9 . 1 . 1 8 8 ALA C C 13 177.736 . . . . . . . . 108 ALA C . 52719 1 10 . 1 . 1 8 8 ALA CA C 13 52.489 . . . . . . . . 108 ALA CA . 52719 1 11 . 1 . 1 8 8 ALA CB C 13 18.889 . . . . . . . . 108 ALA CB . 52719 1 12 . 1 . 1 8 8 ALA N N 15 122.760 . . . . . . . . 108 ALA N . 52719 1 13 . 1 . 1 9 9 THR H H 1 7.927 . . . . . . . . 109 THR HN . 52719 1 14 . 1 . 1 9 9 THR CA C 13 59.754 . . . . . . . . 109 THR CA . 52719 1 15 . 1 . 1 9 9 THR CB C 13 69.900 . . . . . . . . 109 THR CB . 52719 1 16 . 1 . 1 9 9 THR N N 15 115.695 . . . . . . . . 109 THR N . 52719 1 17 . 1 . 1 10 10 PRO HA H 1 4.361 . . . . . . . . 110 PRO HA . 52719 1 18 . 1 . 1 10 10 PRO C C 13 176.303 . . . . . . . . 110 PRO C . 52719 1 19 . 1 . 1 10 10 PRO CA C 13 63.115 . . . . . . . . 110 PRO CA . 52719 1 20 . 1 . 1 10 10 PRO CB C 13 31.845 . . . . . . . . 110 PRO CB . 52719 1 21 . 1 . 1 11 11 TYR H H 1 8.290 . . . . . . . . 111 TYR HN . 52719 1 22 . 1 . 1 11 11 TYR CA C 13 55.595 . . . . . . . . 111 TYR CA . 52719 1 23 . 1 . 1 11 11 TYR CB C 13 38.148 . . . . . . . . 111 TYR CB . 52719 1 24 . 1 . 1 11 11 TYR N N 15 122.004 . . . . . . . . 111 TYR N . 52719 1 25 . 1 . 1 12 12 PRO HA H 1 4.365 . . . . . . . . 112 PRO HA . 52719 1 26 . 1 . 1 12 12 PRO C C 13 177.298 . . . . . . . . 112 PRO C . 52719 1 27 . 1 . 1 12 12 PRO CA C 13 63.667 . . . . . . . . 112 PRO CA . 52719 1 28 . 1 . 1 12 12 PRO CB C 13 31.811 . . . . . . . . 112 PRO CB . 52719 1 29 . 1 . 1 13 13 GLY H H 1 7.705 . . . . . . . . 113 GLY HN . 52719 1 30 . 1 . 1 13 13 GLY C C 13 173.751 . . . . . . . . 113 GLY C . 52719 1 31 . 1 . 1 13 13 GLY CA C 13 45.247 . . . . . . . . 113 GLY CA . 52719 1 32 . 1 . 1 13 13 GLY N N 15 108.123 . . . . . . . . 113 GLY N . 52719 1 33 . 1 . 1 14 14 ASP H H 1 8.177 . . . . . . . . 114 ASP HN . 52719 1 34 . 1 . 1 14 14 ASP HA H 1 4.564 . . . . . . . . 114 ASP HA . 52719 1 35 . 1 . 1 14 14 ASP C C 13 176.166 . . . . . . . . 114 ASP C . 52719 1 36 . 1 . 1 14 14 ASP CA C 13 54.581 . . . . . . . . 114 ASP CA . 52719 1 37 . 1 . 1 14 14 ASP CB C 13 41.174 . . . . . . . . 114 ASP CB . 52719 1 38 . 1 . 1 14 14 ASP N N 15 119.936 . . . . . . . . 114 ASP N . 52719 1 39 . 1 . 1 15 15 LYS H H 1 8.144 . . . . . . . . 115 LYS HN . 52719 1 40 . 1 . 1 15 15 LYS HA H 1 4.306 . . . . . . . . 115 LYS HA . 52719 1 41 . 1 . 1 15 15 LYS C C 13 176.200 . . . . . . . . 115 LYS C . 52719 1 42 . 1 . 1 15 15 LYS CA C 13 56.194 . . . . . . . . 115 LYS CA . 52719 1 43 . 1 . 1 15 15 LYS CB C 13 32.771 . . . . . . . . 115 LYS CB . 52719 1 44 . 1 . 1 15 15 LYS N N 15 120.822 . . . . . . . . 115 LYS N . 52719 1 45 . 1 . 1 16 16 VAL H H 1 8.111 . . . . . . . . 116 VAL HN . 52719 1 46 . 1 . 1 16 16 VAL HA H 1 4.027 . . . . . . . . 116 VAL HA . 52719 1 47 . 1 . 1 16 16 VAL C C 13 175.751 . . . . . . . . 116 VAL C . 52719 1 48 . 1 . 1 16 16 VAL CA C 13 62.468 . . . . . . . . 116 VAL CA . 52719 1 49 . 1 . 1 16 16 VAL CB C 13 32.453 . . . . . . . . 116 VAL CB . 52719 1 50 . 1 . 1 16 16 VAL N N 15 122.289 . . . . . . . . 116 VAL N . 52719 1 51 . 1 . 1 17 17 ILE H H 1 8.263 . . . . . . . . 117 ILE HN . 52719 1 52 . 1 . 1 17 17 ILE HA H 1 4.161 . . . . . . . . 117 ILE HA . 52719 1 53 . 1 . 1 17 17 ILE C C 13 175.936 . . . . . . . . 117 ILE C . 52719 1 54 . 1 . 1 17 17 ILE CA C 13 60.739 . . . . . . . . 117 ILE CA . 52719 1 55 . 1 . 1 17 17 ILE CB C 13 38.286 . . . . . . . . 117 ILE CB . 52719 1 56 . 1 . 1 17 17 ILE N N 15 125.843 . . . . . . . . 117 ILE N . 52719 1 57 . 1 . 1 18 18 ILE H H 1 8.332 . . . . . . . . 118 ILE HN . 52719 1 58 . 1 . 1 18 18 ILE HA H 1 4.234 . . . . . . . . 118 ILE HA . 52719 1 59 . 1 . 1 18 18 ILE C C 13 176.254 . . . . . . . . 118 ILE C . 52719 1 60 . 1 . 1 18 18 ILE CA C 13 60.778 . . . . . . . . 118 ILE CA . 52719 1 61 . 1 . 1 18 18 ILE CB C 13 38.217 . . . . . . . . 118 ILE CB . 52719 1 62 . 1 . 1 18 18 ILE N N 15 126.338 . . . . . . . . 118 ILE N . 52719 1 63 . 1 . 1 19 19 THR H H 1 8.227 . . . . . . . . 119 THR HN . 52719 1 64 . 1 . 1 19 19 THR HA H 1 4.334 . . . . . . . . 119 THR HA . 52719 1 65 . 1 . 1 19 19 THR C C 13 174.325 . . . . . . . . 119 THR C . 52719 1 66 . 1 . 1 19 19 THR CA C 13 61.703 . . . . . . . . 119 THR CA . 52719 1 67 . 1 . 1 19 19 THR CB C 13 69.878 . . . . . . . . 119 THR CB . 52719 1 68 . 1 . 1 19 19 THR N N 15 118.940 . . . . . . . . 119 THR N . 52719 1 69 . 1 . 1 20 20 GLU H H 1 8.418 . . . . . . . . 120 GLU HN . 52719 1 70 . 1 . 1 20 20 GLU HA H 1 4.278 . . . . . . . . 120 GLU HA . 52719 1 71 . 1 . 1 20 20 GLU C C 13 176.802 . . . . . . . . 120 GLU C . 52719 1 72 . 1 . 1 20 20 GLU CA C 13 56.895 . . . . . . . . 120 GLU CA . 52719 1 73 . 1 . 1 20 20 GLU CB C 13 30.077 . . . . . . . . 120 GLU CB . 52719 1 74 . 1 . 1 20 20 GLU N N 15 123.569 . . . . . . . . 120 GLU N . 52719 1 75 . 1 . 1 21 21 GLY H H 1 8.439 . . . . . . . . 121 GLY HN . 52719 1 76 . 1 . 1 21 21 GLY C C 13 173.748 . . . . . . . . 121 GLY C . 52719 1 77 . 1 . 1 21 21 GLY CA C 13 45.335 . . . . . . . . 121 GLY CA . 52719 1 78 . 1 . 1 21 21 GLY N N 15 110.332 . . . . . . . . 121 GLY N . 52719 1 79 . 1 . 1 22 22 ALA H H 1 8.023 . . . . . . . . 122 ALA HN . 52719 1 80 . 1 . 1 22 22 ALA HA H 1 4.240 . . . . . . . . 122 ALA HA . 52719 1 81 . 1 . 1 22 22 ALA C C 13 177.383 . . . . . . . . 122 ALA C . 52719 1 82 . 1 . 1 22 22 ALA CA C 13 52.473 . . . . . . . . 122 ALA CA . 52719 1 83 . 1 . 1 22 22 ALA CB C 13 18.965 . . . . . . . . 122 ALA CB . 52719 1 84 . 1 . 1 22 22 ALA N N 15 123.398 . . . . . . . . 122 ALA N . 52719 1 85 . 1 . 1 23 23 PHE H H 1 8.189 . . . . . . . . 123 PHE HN . 52719 1 86 . 1 . 1 23 23 PHE C C 13 175.820 . . . . . . . . 123 PHE C . 52719 1 87 . 1 . 1 23 23 PHE CA C 13 57.699 . . . . . . . . 123 PHE CA . 52719 1 88 . 1 . 1 23 23 PHE CB C 13 39.381 . . . . . . . . 123 PHE CB . 52719 1 89 . 1 . 1 23 23 PHE N N 15 119.086 . . . . . . . . 123 PHE N . 52719 1 90 . 1 . 1 24 24 GLU H H 1 8.369 . . . . . . . . 124 GLU HN . 52719 1 91 . 1 . 1 24 24 GLU HA H 1 4.581 . . . . . . . . 124 GLU HA . 52719 1 92 . 1 . 1 24 24 GLU C C 13 176.640 . . . . . . . . 124 GLU C . 52719 1 93 . 1 . 1 24 24 GLU CA C 13 56.927 . . . . . . . . 124 GLU CA . 52719 1 94 . 1 . 1 24 24 GLU CB C 13 29.980 . . . . . . . . 124 GLU CB . 52719 1 95 . 1 . 1 24 24 GLU N N 15 122.811 . . . . . . . . 124 GLU N . 52719 1 96 . 1 . 1 25 25 GLY H H 1 7.888 . . . . . . . . 125 GLY HN . 52719 1 97 . 1 . 1 25 25 GLY C C 13 173.928 . . . . . . . . 125 GLY C . 52719 1 98 . 1 . 1 25 25 GLY CA C 13 45.324 . . . . . . . . 125 GLY CA . 52719 1 99 . 1 . 1 25 25 GLY N N 15 109.094 . . . . . . . . 125 GLY N . 52719 1 100 . 1 . 1 26 26 PHE H H 1 8.064 . . . . . . . . 126 PHE HN . 52719 1 101 . 1 . 1 26 26 PHE HA H 1 4.448 . . . . . . . . 126 PHE HA . 52719 1 102 . 1 . 1 26 26 PHE C C 13 175.640 . . . . . . . . 126 PHE C . 52719 1 103 . 1 . 1 26 26 PHE CA C 13 58.222 . . . . . . . . 126 PHE CA . 52719 1 104 . 1 . 1 26 26 PHE CB C 13 39.466 . . . . . . . . 126 PHE CB . 52719 1 105 . 1 . 1 26 26 PHE N N 15 119.999 . . . . . . . . 126 PHE N . 52719 1 106 . 1 . 1 27 27 GLN H H 1 8.220 . . . . . . . . 127 GLN HN . 52719 1 107 . 1 . 1 27 27 GLN C C 13 175.183 . . . . . . . . 127 GLN C . 52719 1 108 . 1 . 1 27 27 GLN CA C 13 55.880 . . . . . . . . 127 GLN CA . 52719 1 109 . 1 . 1 27 27 GLN CB C 13 29.434 . . . . . . . . 127 GLN CB . 52719 1 110 . 1 . 1 27 27 GLN N N 15 121.784 . . . . . . . . 127 GLN N . 52719 1 111 . 1 . 1 28 28 ALA H H 1 8.139 . . . . . . . . 128 ALA HN . 52719 1 112 . 1 . 1 28 28 ALA HA H 1 4.219 . . . . . . . . 128 ALA HA . 52719 1 113 . 1 . 1 28 28 ALA C C 13 177.312 . . . . . . . . 128 ALA C . 52719 1 114 . 1 . 1 28 28 ALA CA C 13 52.577 . . . . . . . . 128 ALA CA . 52719 1 115 . 1 . 1 28 28 ALA CB C 13 18.926 . . . . . . . . 128 ALA CB . 52719 1 116 . 1 . 1 28 28 ALA N N 15 124.760 . . . . . . . . 128 ALA N . 52719 1 117 . 1 . 1 29 29 ILE H H 1 7.877 . . . . . . . . 129 ILE HN . 52719 1 118 . 1 . 1 29 29 ILE C C 13 175.857 . . . . . . . . 129 ILE C . 52719 1 119 . 1 . 1 29 29 ILE CA C 13 61.254 . . . . . . . . 129 ILE CA . 52719 1 120 . 1 . 1 29 29 ILE CB C 13 38.717 . . . . . . . . 129 ILE CB . 52719 1 121 . 1 . 1 29 29 ILE N N 15 118.930 . . . . . . . . 129 ILE N . 52719 1 122 . 1 . 1 30 30 PHE H H 1 8.234 . . . . . . . . 130 PHE HN . 52719 1 123 . 1 . 1 30 30 PHE C C 13 175.611 . . . . . . . . 130 PHE C . 52719 1 124 . 1 . 1 30 30 PHE CA C 13 57.761 . . . . . . . . 130 PHE CA . 52719 1 125 . 1 . 1 30 30 PHE CB C 13 39.730 . . . . . . . . 130 PHE CB . 52719 1 126 . 1 . 1 30 30 PHE N N 15 123.378 . . . . . . . . 130 PHE N . 52719 1 127 . 1 . 1 31 31 THR H H 1 7.977 . . . . . . . . 131 THR HN . 52719 1 128 . 1 . 1 31 31 THR HA H 1 4.296 . . . . . . . . 131 THR HA . 52719 1 129 . 1 . 1 31 31 THR C C 13 173.825 . . . . . . . . 131 THR C . 52719 1 130 . 1 . 1 31 31 THR CA C 13 61.572 . . . . . . . . 131 THR CA . 52719 1 131 . 1 . 1 31 31 THR CB C 13 70.026 . . . . . . . . 131 THR CB . 52719 1 132 . 1 . 1 31 31 THR N N 15 115.753 . . . . . . . . 131 THR N . 52719 1 133 . 1 . 1 32 32 GLU H H 1 8.249 . . . . . . . . 132 GLU HN . 52719 1 134 . 1 . 1 32 32 GLU CA C 13 54.526 . . . . . . . . 132 GLU CA . 52719 1 135 . 1 . 1 32 32 GLU CB C 13 29.551 . . . . . . . . 132 GLU CB . 52719 1 136 . 1 . 1 32 32 GLU N N 15 124.200 . . . . . . . . 132 GLU N . 52719 1 137 . 1 . 1 33 33 PRO HA H 1 4.370 . . . . . . . . 133 PRO HA . 52719 1 138 . 1 . 1 33 33 PRO C C 13 176.789 . . . . . . . . 133 PRO C . 52719 1 139 . 1 . 1 33 33 PRO CA C 13 63.666 . . . . . . . . 133 PRO CA . 52719 1 140 . 1 . 1 33 33 PRO CB C 13 31.997 . . . . . . . . 133 PRO CB . 52719 1 141 . 1 . 1 34 34 ASP H H 1 8.401 . . . . . . . . 134 ASP HN . 52719 1 142 . 1 . 1 34 34 ASP HA H 1 4.577 . . . . . . . . 134 ASP HA . 52719 1 143 . 1 . 1 34 34 ASP C C 13 176.882 . . . . . . . . 134 ASP C . 52719 1 144 . 1 . 1 34 34 ASP CA C 13 54.387 . . . . . . . . 134 ASP CA . 52719 1 145 . 1 . 1 34 34 ASP CB C 13 41.245 . . . . . . . . 134 ASP CB . 52719 1 146 . 1 . 1 34 34 ASP N N 15 119.844 . . . . . . . . 134 ASP N . 52719 1 147 . 1 . 1 35 35 GLY H H 1 8.337 . . . . . . . . 135 GLY HN . 52719 1 148 . 1 . 1 35 35 GLY C C 13 174.978 . . . . . . . . 135 GLY C . 52719 1 149 . 1 . 1 35 35 GLY CA C 13 46.102 . . . . . . . . 135 GLY CA . 52719 1 150 . 1 . 1 35 35 GLY N N 15 109.239 . . . . . . . . 135 GLY N . 52719 1 151 . 1 . 1 36 36 GLU H H 1 8.333 . . . . . . . . 136 GLU HN . 52719 1 152 . 1 . 1 36 36 GLU HA H 1 4.174 . . . . . . . . 136 GLU HA . 52719 1 153 . 1 . 1 36 36 GLU C C 13 177.262 . . . . . . . . 136 GLU C . 52719 1 154 . 1 . 1 36 36 GLU CA C 13 57.587 . . . . . . . . 136 GLU CA . 52719 1 155 . 1 . 1 36 36 GLU CB C 13 29.800 . . . . . . . . 136 GLU CB . 52719 1 156 . 1 . 1 36 36 GLU N N 15 121.446 . . . . . . . . 136 GLU N . 52719 1 157 . 1 . 1 37 37 ALA H H 1 8.285 . . . . . . . . 137 ALA HN . 52719 1 158 . 1 . 1 37 37 ALA C C 13 178.994 . . . . . . . . 137 ALA C . 52719 1 159 . 1 . 1 37 37 ALA CA C 13 53.703 . . . . . . . . 137 ALA CA . 52719 1 160 . 1 . 1 37 37 ALA CB C 13 18.414 . . . . . . . . 137 ALA CB . 52719 1 161 . 1 . 1 37 37 ALA N N 15 123.798 . . . . . . . . 137 ALA N . 52719 1 162 . 1 . 1 38 38 ARG H H 1 8.238 . . . . . . . . 138 ARG HN . 52719 1 163 . 1 . 1 38 38 ARG HA H 1 4.154 . . . . . . . . 138 ARG HA . 52719 1 164 . 1 . 1 38 38 ARG C C 13 177.284 . . . . . . . . 138 ARG C . 52719 1 165 . 1 . 1 38 38 ARG CA C 13 57.565 . . . . . . . . 138 ARG CA . 52719 1 166 . 1 . 1 38 38 ARG CB C 13 30.085 . . . . . . . . 138 ARG CB . 52719 1 167 . 1 . 1 38 38 ARG N N 15 119.043 . . . . . . . . 138 ARG N . 52719 1 168 . 1 . 1 39 39 SER H H 1 8.159 . . . . . . . . 139 SER HN . 52719 1 169 . 1 . 1 39 39 SER HA H 1 4.232 . . . . . . . . 139 SER HA . 52719 1 170 . 1 . 1 39 39 SER CA C 13 59.910 . . . . . . . . 139 SER CA . 52719 1 171 . 1 . 1 39 39 SER CB C 13 63.237 . . . . . . . . 139 SER CB . 52719 1 172 . 1 . 1 39 39 SER N N 15 115.407 . . . . . . . . 139 SER N . 52719 1 173 . 1 . 1 40 40 MET H H 1 8.182 . . . . . . . . 140 MET HN . 52719 1 174 . 1 . 1 40 40 MET HA H 1 4.372 . . . . . . . . 140 MET HA . 52719 1 175 . 1 . 1 40 40 MET C C 13 177.086 . . . . . . . . 140 MET C . 52719 1 176 . 1 . 1 40 40 MET CA C 13 56.728 . . . . . . . . 140 MET CA . 52719 1 177 . 1 . 1 40 40 MET CB C 13 32.061 . . . . . . . . 140 MET CB . 52719 1 178 . 1 . 1 40 40 MET N N 15 121.337 . . . . . . . . 140 MET N . 52719 1 179 . 1 . 1 41 41 LEU H H 1 7.928 . . . . . . . . 141 LEU HN . 52719 1 180 . 1 . 1 41 41 LEU C C 13 178.154 . . . . . . . . 141 LEU C . 52719 1 181 . 1 . 1 41 41 LEU CA C 13 56.587 . . . . . . . . 141 LEU CA . 52719 1 182 . 1 . 1 41 41 LEU CB C 13 41.763 . . . . . . . . 141 LEU CB . 52719 1 183 . 1 . 1 41 41 LEU N N 15 121.162 . . . . . . . . 141 LEU N . 52719 1 184 . 1 . 1 42 42 LEU H H 1 7.934 . . . . . . . . 142 LEU HN . 52719 1 185 . 1 . 1 42 42 LEU HA H 1 4.214 . . . . . . . . 142 LEU HA . 52719 1 186 . 1 . 1 42 42 LEU C C 13 178.010 . . . . . . . . 142 LEU C . 52719 1 187 . 1 . 1 42 42 LEU CA C 13 56.182 . . . . . . . . 142 LEU CA . 52719 1 188 . 1 . 1 42 42 LEU CB C 13 41.576 . . . . . . . . 142 LEU CB . 52719 1 189 . 1 . 1 42 42 LEU N N 15 120.419 . . . . . . . . 142 LEU N . 52719 1 190 . 1 . 1 43 43 LEU H H 1 7.924 . . . . . . . . 143 LEU HN . 52719 1 191 . 1 . 1 43 43 LEU HA H 1 4.181 . . . . . . . . 143 LEU HA . 52719 1 192 . 1 . 1 43 43 LEU C C 13 177.685 . . . . . . . . 143 LEU C . 52719 1 193 . 1 . 1 43 43 LEU CA C 13 56.310 . . . . . . . . 143 LEU CA . 52719 1 194 . 1 . 1 43 43 LEU CB C 13 41.838 . . . . . . . . 143 LEU CB . 52719 1 195 . 1 . 1 43 43 LEU N N 15 120.413 . . . . . . . . 143 LEU N . 52719 1 196 . 1 . 1 44 44 ASN H H 1 8.143 . . . . . . . . 144 ASN HN . 52719 1 197 . 1 . 1 44 44 ASN HA H 1 4.586 . . . . . . . . 144 ASN HA . 52719 1 198 . 1 . 1 44 44 ASN C C 13 175.640 . . . . . . . . 144 ASN C . 52719 1 199 . 1 . 1 44 44 ASN CA C 13 54.160 . . . . . . . . 144 ASN CA . 52719 1 200 . 1 . 1 44 44 ASN CB C 13 38.710 . . . . . . . . 144 ASN CB . 52719 1 201 . 1 . 1 44 44 ASN N N 15 117.374 . . . . . . . . 144 ASN N . 52719 1 202 . 1 . 1 45 45 LEU H H 1 7.945 . . . . . . . . 145 LEU HN . 52719 1 203 . 1 . 1 45 45 LEU HA H 1 4.246 . . . . . . . . 145 LEU HA . 52719 1 204 . 1 . 1 45 45 LEU C C 13 177.849 . . . . . . . . 145 LEU C . 52719 1 205 . 1 . 1 45 45 LEU CA C 13 56.086 . . . . . . . . 145 LEU CA . 52719 1 206 . 1 . 1 45 45 LEU CB C 13 41.916 . . . . . . . . 145 LEU CB . 52719 1 207 . 1 . 1 45 45 LEU N N 15 121.047 . . . . . . . . 145 LEU N . 52719 1 208 . 1 . 1 46 46 ILE H H 1 7.941 . . . . . . . . 146 ILE HN . 52719 1 209 . 1 . 1 46 46 ILE HA H 1 3.917 . . . . . . . . 146 ILE HA . 52719 1 210 . 1 . 1 46 46 ILE C C 13 176.401 . . . . . . . . 146 ILE C . 52719 1 211 . 1 . 1 46 46 ILE CA C 13 62.263 . . . . . . . . 146 ILE CA . 52719 1 212 . 1 . 1 46 46 ILE CB C 13 41.310 . . . . . . . . 146 ILE CB . 52719 1 213 . 1 . 1 46 46 ILE N N 15 119.688 . . . . . . . . 146 ILE N . 52719 1 214 . 1 . 1 47 47 ASN H H 1 8.280 . . . . . . . . 147 ASN HN . 52719 1 215 . 1 . 1 47 47 ASN HA H 1 4.638 . . . . . . . . 147 ASN HA . 52719 1 216 . 1 . 1 47 47 ASN C C 13 175.433 . . . . . . . . 147 ASN C . 52719 1 217 . 1 . 1 47 47 ASN CA C 13 53.767 . . . . . . . . 147 ASN CA . 52719 1 218 . 1 . 1 47 47 ASN CB C 13 38.788 . . . . . . . . 147 ASN CB . 52719 1 219 . 1 . 1 47 47 ASN N N 15 120.806 . . . . . . . . 147 ASN N . 52719 1 220 . 1 . 1 48 48 LYS H H 1 8.148 . . . . . . . . 148 LYS HN . 52719 1 221 . 1 . 1 48 48 LYS HA H 1 4.229 . . . . . . . . 148 LYS HA . 52719 1 222 . 1 . 1 48 48 LYS C C 13 176.587 . . . . . . . . 148 LYS C . 52719 1 223 . 1 . 1 48 48 LYS CA C 13 56.923 . . . . . . . . 148 LYS CA . 52719 1 224 . 1 . 1 48 48 LYS CB C 13 32.555 . . . . . . . . 148 LYS CB . 52719 1 225 . 1 . 1 48 48 LYS N N 15 121.270 . . . . . . . . 148 LYS N . 52719 1 226 . 1 . 1 49 49 GLU H H 1 8.248 . . . . . . . . 149 GLU HN . 52719 1 227 . 1 . 1 49 49 GLU HA H 1 4.252 . . . . . . . . 149 GLU HA . 52719 1 228 . 1 . 1 49 49 GLU C C 13 176.600 . . . . . . . . 149 GLU C . 52719 1 229 . 1 . 1 49 49 GLU CA C 13 56.725 . . . . . . . . 149 GLU CA . 52719 1 230 . 1 . 1 49 49 GLU CB C 13 29.994 . . . . . . . . 149 GLU CB . 52719 1 231 . 1 . 1 49 49 GLU N N 15 120.775 . . . . . . . . 149 GLU N . 52719 1 232 . 1 . 1 50 50 ILE H H 1 8.092 . . . . . . . . 150 ILE HN . 52719 1 233 . 1 . 1 50 50 ILE CA C 13 61.378 . . . . . . . . 150 ILE CA . 52719 1 234 . 1 . 1 50 50 ILE CB C 13 38.149 . . . . . . . . 150 ILE CB . 52719 1 235 . 1 . 1 50 50 ILE N N 15 122.128 . . . . . . . . 150 ILE N . 52719 1 236 . 1 . 1 51 51 LYS H H 1 8.279 . . . . . . . . 151 LYS HN . 52719 1 237 . 1 . 1 51 51 LYS HA H 1 4.287 . . . . . . . . 151 LYS HA . 52719 1 238 . 1 . 1 51 51 LYS C C 13 175.735 . . . . . . . . 151 LYS C . 52719 1 239 . 1 . 1 51 51 LYS CA C 13 54.718 . . . . . . . . 151 LYS CA . 52719 1 240 . 1 . 1 51 51 LYS CB C 13 32.629 . . . . . . . . 151 LYS CB . 52719 1 241 . 1 . 1 51 51 LYS N N 15 124.714 . . . . . . . . 151 LYS N . 52719 1 242 . 1 . 1 52 52 HIS H H 1 8.272 . . . . . . . . 152 HIS HN . 52719 1 243 . 1 . 1 52 52 HIS CB C 13 30.044 . . . . . . . . 152 HIS CB . 52719 1 244 . 1 . 1 52 52 HIS N N 15 120.713 . . . . . . . . 152 HIS N . 52719 1 245 . 1 . 1 53 53 SER HA H 1 3.825 . . . . . . . . 153 SER HA . 52719 1 246 . 1 . 1 53 53 SER C C 13 174.436 . . . . . . . . 153 SER C . 52719 1 247 . 1 . 1 53 53 SER CA C 13 58.292 . . . . . . . . 153 SER CA . 52719 1 248 . 1 . 1 53 53 SER CB C 13 64.060 . . . . . . . . 153 SER CB . 52719 1 249 . 1 . 1 54 54 VAL H H 1 8.204 . . . . . . . . 154 VAL HN . 52719 1 250 . 1 . 1 54 54 VAL HA H 1 4.284 . . . . . . . . 154 VAL HA . 52719 1 251 . 1 . 1 54 54 VAL C C 13 176.141 . . . . . . . . 154 VAL C . 52719 1 252 . 1 . 1 54 54 VAL CA C 13 62.403 . . . . . . . . 154 VAL CA . 52719 1 253 . 1 . 1 54 54 VAL CB C 13 32.384 . . . . . . . . 154 VAL CB . 52719 1 254 . 1 . 1 54 54 VAL N N 15 121.832 . . . . . . . . 154 VAL N . 52719 1 255 . 1 . 1 55 55 LYS H H 1 8.356 . . . . . . . . 155 LYS HN . 52719 1 256 . 1 . 1 55 55 LYS C C 13 176.022 . . . . . . . . 155 LYS C . 52719 1 257 . 1 . 1 55 55 LYS CA C 13 55.485 . . . . . . . . 155 LYS CA . 52719 1 258 . 1 . 1 55 55 LYS CB C 13 32.707 . . . . . . . . 155 LYS CB . 52719 1 259 . 1 . 1 55 55 LYS N N 15 124.437 . . . . . . . . 155 LYS N . 52719 1 260 . 1 . 1 56 56 ASN H H 1 8.524 . . . . . . . . 156 ASN HN . 52719 1 261 . 1 . 1 56 56 ASN HA H 1 4.718 . . . . . . . . 156 ASN HA . 52719 1 262 . 1 . 1 56 56 ASN C C 13 175.469 . . . . . . . . 156 ASN C . 52719 1 263 . 1 . 1 56 56 ASN CA C 13 53.593 . . . . . . . . 156 ASN CA . 52719 1 264 . 1 . 1 56 56 ASN CB C 13 38.896 . . . . . . . . 156 ASN CB . 52719 1 265 . 1 . 1 56 56 ASN N N 15 120.568 . . . . . . . . 156 ASN N . 52719 1 266 . 1 . 1 57 57 THR H H 1 8.121 . . . . . . . . 157 THR HN . 52719 1 267 . 1 . 1 57 57 THR HA H 1 4.237 . . . . . . . . 157 THR HA . 52719 1 268 . 1 . 1 57 57 THR C C 13 174.470 . . . . . . . . 157 THR C . 52719 1 269 . 1 . 1 57 57 THR CA C 13 62.184 . . . . . . . . 157 THR CA . 52719 1 270 . 1 . 1 57 57 THR CB C 13 69.664 . . . . . . . . 157 THR CB . 52719 1 271 . 1 . 1 57 57 THR N N 15 114.214 . . . . . . . . 157 THR N . 52719 1 272 . 1 . 1 58 58 GLU H H 1 8.310 . . . . . . . . 158 GLU HN . 52719 1 273 . 1 . 1 58 58 GLU C C 13 176.005 . . . . . . . . 158 GLU C . 52719 1 274 . 1 . 1 58 58 GLU CA C 13 56.591 . . . . . . . . 158 GLU CA . 52719 1 275 . 1 . 1 58 58 GLU CB C 13 30.009 . . . . . . . . 158 GLU CB . 52719 1 276 . 1 . 1 58 58 GLU N N 15 122.787 . . . . . . . . 158 GLU N . 52719 1 277 . 1 . 1 59 59 PHE H H 1 8.191 . . . . . . . . 159 PHE HN . 52719 1 278 . 1 . 1 59 59 PHE HA H 1 4.559 . . . . . . . . 159 PHE HA . 52719 1 279 . 1 . 1 59 59 PHE C C 13 175.365 . . . . . . . . 159 PHE C . 52719 1 280 . 1 . 1 59 59 PHE CA C 13 57.845 . . . . . . . . 159 PHE CA . 52719 1 281 . 1 . 1 59 59 PHE CB C 13 39.243 . . . . . . . . 159 PHE CB . 52719 1 282 . 1 . 1 59 59 PHE N N 15 121.388 . . . . . . . . 159 PHE N . 52719 1 283 . 1 . 1 60 60 ARG H H 1 8.076 . . . . . . . . 160 ARG HN . 52719 1 284 . 1 . 1 60 60 ARG C C 13 175.182 . . . . . . . . 160 ARG C . 52719 1 285 . 1 . 1 60 60 ARG CA C 13 55.787 . . . . . . . . 160 ARG CA . 52719 1 286 . 1 . 1 60 60 ARG CB C 13 30.815 . . . . . . . . 160 ARG CB . 52719 1 287 . 1 . 1 60 60 ARG N N 15 123.285 . . . . . . . . 160 ARG N . 52719 1 288 . 1 . 1 61 61 LYS H H 1 8.267 . . . . . . . . 161 LYS HN . 52719 1 289 . 1 . 1 61 61 LYS HA H 1 4.248 . . . . . . . . 161 LYS HA . 52719 1 290 . 1 . 1 61 61 LYS CA C 13 56.325 . . . . . . . . 161 LYS CA . 52719 1 291 . 1 . 1 61 61 LYS CB C 13 32.602 . . . . . . . . 161 LYS CB . 52719 1 292 . 1 . 1 61 61 LYS N N 15 123.809 . . . . . . . . 161 LYS N . 52719 1 293 . 1 . 1 62 62 LEU H H 1 7.908 . . . . . . . . 162 LEU HN . 52719 1 294 . 1 . 1 62 62 LEU CA C 13 56.800 . . . . . . . . 162 LEU CA . 52719 1 295 . 1 . 1 62 62 LEU CB C 13 42.995 . . . . . . . . 162 LEU CB . 52719 1 296 . 1 . 1 62 62 LEU N N 15 130.177 . . . . . . . . 162 LEU N . 52719 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDCs_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDCs_1 _RDC_list.Entry_ID 52719 _RDC_list.ID 1 _RDC_list.Name 'RfaH-CTD minor state' _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 700 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 1 '2D 1H-15N HSQC' . . . 52719 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $software_1 . . 52719 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 9 9 THR N N 15 . . 1 1 9 9 THR H H 1 . 4.1 . . . . . . . 109 THR N . 109 THR H 52719 1 2 DNH . 1 1 11 11 TYR N N 15 . . 1 1 11 11 TYR H H 1 . 1.5 . . . . . . . 111 TYR N . 111 TYR H 52719 1 3 DNH . 1 1 13 13 GLY N N 15 . . 1 1 13 13 GLY H H 1 . -0.2 . . . . . . . 113 GLY N . 113 GLY H 52719 1 4 DNH . 1 1 14 14 ASP N N 15 . . 1 1 14 14 ASP H H 1 . 3.2 . . . . . . . 114 ASP N . 114 ASP H 52719 1 5 DNH . 1 1 15 15 LYS N N 15 . . 1 1 15 15 LYS H H 1 . 3.5 . . . . . . . 115 LYS N . 115 LYS H 52719 1 6 DNH . 1 1 16 16 VAL N N 15 . . 1 1 16 16 VAL H H 1 . 3.9 . . . . . . . 116 VAL N . 116 VAL H 52719 1 7 DNH . 1 1 17 17 ILE N N 15 . . 1 1 17 17 ILE H H 1 . 4.2 . . . . . . . 117 ILE N . 117 ILE H 52719 1 8 DNH . 1 1 19 19 THR N N 15 . . 1 1 19 19 THR H H 1 . 3.6 . . . . . . . 119 THR N . 119 THR H 52719 1 9 DNH . 1 1 20 20 GLU N N 15 . . 1 1 20 20 GLU H H 1 . 1.9 . . . . . . . 120 GLU N . 120 GLU H 52719 1 10 DNH . 1 1 21 21 GLY N N 15 . . 1 1 21 21 GLY H H 1 . 3.2 . . . . . . . 121 GLY N . 121 GLY H 52719 1 11 DNH . 1 1 22 22 ALA N N 15 . . 1 1 22 22 ALA H H 1 . 1.9 . . . . . . . 122 ALA N . 122 ALA H 52719 1 12 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . 1.9 . . . . . . . 123 PHE N . 123 PHE H 52719 1 13 DNH . 1 1 25 25 GLY N N 15 . . 1 1 25 25 GLY H H 1 . 2.3 . . . . . . . 125 GLY N . 125 GLY H 52719 1 14 DNH . 1 1 27 27 GLN N N 15 . . 1 1 27 27 GLN H H 1 . 3.4 . . . . . . . 127 GLN N . 127 GLN H 52719 1 15 DNH . 1 1 35 35 GLY N N 15 . . 1 1 35 35 GLY H H 1 . 2.6 . . . . . . . 135 GLY N . 135 GLY H 52719 1 16 DNH . 1 1 36 36 GLU N N 15 . . 1 1 36 36 GLU H H 1 . 0.7 . . . . . . . 136 GLU N . 136 GLU H 52719 1 17 DNH . 1 1 37 37 ALA N N 15 . . 1 1 37 37 ALA H H 1 . 2.4 . . . . . . . 137 ALA N . 137 ALA H 52719 1 18 DNH . 1 1 38 38 ARG N N 15 . . 1 1 38 38 ARG H H 1 . 1.4 . . . . . . . 138 ARG N . 138 ARG H 52719 1 19 DNH . 1 1 39 39 SER N N 15 . . 1 1 39 39 SER H H 1 . -2.5 . . . . . . . 139 SER N . 139 SER H 52719 1 20 DNH . 1 1 40 40 MET N N 15 . . 1 1 40 40 MET H H 1 . -1.4 . . . . . . . 140 MET N . 140 MET H 52719 1 21 DNH . 1 1 41 41 LEU N N 15 . . 1 1 41 41 LEU H H 1 . 0.5 . . . . . . . 141 LEU N . 141 LEU H 52719 1 22 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . -0.2 . . . . . . . 142 LEU N . 142 LEU H 52719 1 23 DNH . 1 1 43 43 LEU N N 15 . . 1 1 43 43 LEU H H 1 . -1.9 . . . . . . . 143 LEU N . 143 LEU H 52719 1 24 DNH . 1 1 45 45 LEU N N 15 . . 1 1 45 45 LEU H H 1 . 1.7 . . . . . . . 145 LEU N . 145 LEU H 52719 1 25 DNH . 1 1 48 48 LYS N N 15 . . 1 1 48 48 LYS H H 1 . -1.8 . . . . . . . 148 LYS N . 148 LYS H 52719 1 26 DNH . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU H H 1 . 2.5 . . . . . . . 149 GLU N . 149 GLU H 52719 1 27 DNH . 1 1 55 55 LYS N N 15 . . 1 1 55 55 LYS H H 1 . 2.0 . . . . . . . 155 LYS N . 155 LYS H 52719 1 28 DNH . 1 1 57 57 THR N N 15 . . 1 1 57 57 THR H H 1 . 4.2 . . . . . . . 157 THR N . 157 THR H 52719 1 29 DNH . 1 1 58 58 GLU N N 15 . . 1 1 58 58 GLU H H 1 . 3.9 . . . . . . . 158 GLU N . 158 GLU H 52719 1 30 DNH . 1 1 59 59 PHE N N 15 . . 1 1 59 59 PHE H H 1 . 1.1 . . . . . . . 159 PHE N . 159 PHE H 52719 1 31 DNH . 1 1 60 60 ARG N N 15 . . 1 1 60 60 ARG H H 1 . 4.5 . . . . . . . 160 ARG N . 160 ARG H 52719 1 32 DNH . 1 1 62 62 LEU N N 15 . . 1 1 62 62 LEU H H 1 . 4.8 . . . . . . . 162 LEU N . 162 LEU H 52719 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 52719 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'RfaH-CTD minor state' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 1H-15N _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 4 '1H-15N heteronoe' . . . 52719 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 . . 52719 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 6 6 ASP N N 15 . 1 1 6 6 ASP H H 1 -0.35 . . . . 106 ASP N . 106 ASP H 52719 1 2 . 1 1 9 9 THR N N 15 . 1 1 9 9 THR H H 1 0.13 . . . . 109 THR N . 109 THR H 52719 1 3 . 1 1 11 11 TYR N N 15 . 1 1 11 11 TYR H H 1 0.26 . . . . 111 TYR N . 111 TYR H 52719 1 4 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 0.27 . . . . 113 GLY N . 113 GLY H 52719 1 5 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.30 . . . . 114 ASP N . 114 ASP H 52719 1 6 . 1 1 15 15 LYS N N 15 . 1 1 15 15 LYS H H 1 0.28 . . . . 115 LYS N . 115 LYS H 52719 1 7 . 1 1 16 16 VAL N N 15 . 1 1 16 16 VAL H H 1 0.16 . . . . 116 VAL N . 116 VAL H 52719 1 8 . 1 1 17 17 ILE N N 15 . 1 1 17 17 ILE H H 1 0.33 . . . . 117 ILE N . 117 ILE H 52719 1 9 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.31 . . . . 118 ILE N . 118 ILE H 52719 1 10 . 1 1 19 19 THR N N 15 . 1 1 19 19 THR H H 1 0.57 . . . . 119 THR N . 119 THR H 52719 1 11 . 1 1 20 20 GLU N N 15 . 1 1 20 20 GLU H H 1 0.30 . . . . 120 GLU N . 120 GLU H 52719 1 12 . 1 1 21 21 GLY N N 15 . 1 1 21 21 GLY H H 1 0.16 . . . . 121 GLY N . 121 GLY H 52719 1 13 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.18 . . . . 122 ALA N . 122 ALA H 52719 1 14 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.25 . . . . 123 PHE N . 123 PHE H 52719 1 15 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.11 . . . . 124 GLU N . 124 GLU H 52719 1 16 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 0.34 . . . . 125 GLY N . 125 GLY H 52719 1 17 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.31 . . . . 126 PHE N . 126 PHE H 52719 1 18 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.38 . . . . 127 GLN N . 127 GLN H 52719 1 19 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.22 . . . . 128 ALA N . 128 ALA H 52719 1 20 . 1 1 29 29 ILE N N 15 . 1 1 29 29 ILE H H 1 0.36 . . . . 129 ILE N . 129 ILE H 52719 1 21 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.42 . . . . 130 PHE N . 130 PHE H 52719 1 22 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.58 . . . . 131 THR N . 131 THR H 52719 1 23 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.49 . . . . 132 GLU N . 132 GLU H 52719 1 24 . 1 1 34 34 ASP N N 15 . 1 1 34 34 ASP H H 1 0.42 . . . . 134 ASP N . 134 ASP H 52719 1 25 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.46 . . . . 135 GLY N . 135 GLY H 52719 1 26 . 1 1 36 36 GLU N N 15 . 1 1 36 36 GLU H H 1 0.38 . . . . 136 GLU N . 136 GLU H 52719 1 27 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.31 . . . . 137 ALA N . 137 ALA H 52719 1 28 . 1 1 38 38 ARG N N 15 . 1 1 38 38 ARG H H 1 0.38 . . . . 138 ARG N . 138 ARG H 52719 1 29 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.51 . . . . 139 SER N . 139 SER H 52719 1 30 . 1 1 40 40 MET N N 15 . 1 1 40 40 MET H H 1 0.28 . . . . 140 MET N . 140 MET H 52719 1 31 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.55 . . . . 141 LEU N . 141 LEU H 52719 1 32 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.52 . . . . 142 LEU N . 142 LEU H 52719 1 33 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.57 . . . . 143 LEU N . 143 LEU H 52719 1 34 . 1 1 44 44 ASN N N 15 . 1 1 44 44 ASN H H 1 0.49 . . . . 144 ASN N . 144 ASN H 52719 1 35 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.46 . . . . 145 LEU N . 145 LEU H 52719 1 36 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.36 . . . . 146 ILE N . 146 ILE H 52719 1 37 . 1 1 47 47 ASN N N 15 . 1 1 47 47 ASN H H 1 0.53 . . . . 147 ASN N . 147 ASN H 52719 1 38 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.00 . . . . 148 LYS N . 148 LYS H 52719 1 39 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.28 . . . . 149 GLU N . 149 GLU H 52719 1 40 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 0.30 . . . . 150 ILE N . 150 ILE H 52719 1 41 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.41 . . . . 151 LYS N . 151 LYS H 52719 1 42 . 1 1 54 54 VAL N N 15 . 1 1 54 54 VAL H H 1 0.37 . . . . 154 VAL N . 154 VAL H 52719 1 43 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.24 . . . . 155 LYS N . 155 LYS H 52719 1 44 . 1 1 57 57 THR N N 15 . 1 1 57 57 THR H H 1 0.36 . . . . 157 THR N . 157 THR H 52719 1 45 . 1 1 58 58 GLU N N 15 . 1 1 58 58 GLU H H 1 0.27 . . . . 158 GLU N . 158 GLU H 52719 1 46 . 1 1 59 59 PHE N N 15 . 1 1 59 59 PHE H H 1 0.27 . . . . 159 PHE N . 159 PHE H 52719 1 47 . 1 1 60 60 ARG N N 15 . 1 1 60 60 ARG H H 1 0.18 . . . . 160 ARG N . 160 ARG H 52719 1 48 . 1 1 61 61 LYS N N 15 . 1 1 61 61 LYS H H 1 0.01 . . . . 161 LYS N . 161 LYS H 52719 1 49 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 -0.27 . . . . 162 LEU N . 162 LEU H 52719 1 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 52719 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'RfaH-CTD minor state' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Sz _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 2 'T1/R1 relaxation' . . . 52719 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 . . 52719 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 9 9 THR N N 15 1.390 . . . 109 THR N 52719 1 2 . 1 1 11 11 TYR N N 15 1.520 . . . 111 TYR N 52719 1 3 . 1 1 13 13 GLY N N 15 1.490 . . . 113 GLY N 52719 1 4 . 1 1 14 14 ASP N N 15 1.560 . . . 114 ASP N 52719 1 5 . 1 1 15 15 LYS N N 15 1.460 . . . 115 LYS N 52719 1 6 . 1 1 16 16 VAL N N 15 1.530 . . . 116 VAL N 52719 1 7 . 1 1 17 17 ILE N N 15 1.560 . . . 117 ILE N 52719 1 8 . 1 1 18 18 ILE N N 15 1.610 . . . 118 ILE N 52719 1 9 . 1 1 19 19 THR N N 15 1.590 . . . 119 THR N 52719 1 10 . 1 1 20 20 GLU N N 15 1.550 . . . 120 GLU N 52719 1 11 . 1 1 21 21 GLY N N 15 1.400 . . . 121 GLY N 52719 1 12 . 1 1 22 22 ALA N N 15 1.410 . . . 122 ALA N 52719 1 13 . 1 1 23 23 PHE N N 15 1.440 . . . 123 PHE N 52719 1 14 . 1 1 25 25 GLY N N 15 1.470 . . . 125 GLY N 52719 1 15 . 1 1 26 26 PHE N N 15 1.560 . . . 126 PHE N 52719 1 16 . 1 1 28 28 ALA N N 15 1.320 . . . 128 ALA N 52719 1 17 . 1 1 29 29 ILE N N 15 1.530 . . . 129 ILE N 52719 1 18 . 1 1 32 32 GLU N N 15 1.610 . . . 132 GLU N 52719 1 19 . 1 1 34 34 ASP N N 15 1.650 . . . 134 ASP N 52719 1 20 . 1 1 35 35 GLY N N 15 1.570 . . . 135 GLY N 52719 1 21 . 1 1 36 36 GLU N N 15 1.600 . . . 136 GLU N 52719 1 22 . 1 1 37 37 ALA N N 15 1.610 . . . 137 ALA N 52719 1 23 . 1 1 38 38 ARG N N 15 1.610 . . . 138 ARG N 52719 1 24 . 1 1 39 39 SER N N 15 1.650 . . . 139 SER N 52719 1 25 . 1 1 40 40 MET N N 15 1.310 . . . 140 MET N 52719 1 26 . 1 1 41 41 LEU N N 15 1.690 . . . 141 LEU N 52719 1 27 . 1 1 42 42 LEU N N 15 1.700 . . . 142 LEU N 52719 1 28 . 1 1 43 43 LEU N N 15 1.670 . . . 143 LEU N 52719 1 29 . 1 1 44 44 ASN N N 15 1.640 . . . 144 ASN N 52719 1 30 . 1 1 45 45 LEU N N 15 1.620 . . . 145 LEU N 52719 1 31 . 1 1 47 47 ASN N N 15 1.630 . . . 147 ASN N 52719 1 32 . 1 1 48 48 LYS N N 15 1.590 . . . 148 LYS N 52719 1 33 . 1 1 49 49 GLU N N 15 1.630 . . . 149 GLU N 52719 1 34 . 1 1 54 54 VAL N N 15 1.520 . . . 154 VAL N 52719 1 35 . 1 1 55 55 LYS N N 15 1.540 . . . 155 LYS N 52719 1 36 . 1 1 57 57 THR N N 15 1.490 . . . 157 THR N 52719 1 37 . 1 1 58 58 GLU N N 15 1.650 . . . 158 GLU N 52719 1 38 . 1 1 59 59 PHE N N 15 1.510 . . . 159 PHE N 52719 1 39 . 1 1 60 60 ARG N N 15 1.520 . . . 160 ARG N 52719 1 40 . 1 1 62 62 LEU N N 15 1.260 . . . 162 LEU N 52719 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Entry_ID 52719 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name 'RfaH-CTD minor state' _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 700 _Heteronucl_T1rho_list.Temp_calibration_method water _Heteronucl_T1rho_list.Temp_control_method 'long delay' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units s-1 _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 3 'T1rho/R1rho relaxation' . . . 52719 1 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 1 $software_1 . . 52719 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 9 9 THR N N 15 2.790 . . . . . 109 THR N 52719 1 2 . 1 1 11 11 TYR N N 15 3.490 . . . . . 111 TYR N 52719 1 3 . 1 1 13 13 GLY N N 15 3.450 . . . . . 113 GLY N 52719 1 4 . 1 1 14 14 ASP N N 15 3.390 . . . . . 114 ASP N 52719 1 5 . 1 1 15 15 LYS N N 15 3.470 . . . . . 115 LYS N 52719 1 6 . 1 1 16 16 VAL N N 15 3.880 . . . . . 116 VAL N 52719 1 7 . 1 1 17 17 ILE N N 15 4.320 . . . . . 117 ILE N 52719 1 8 . 1 1 18 18 ILE N N 15 3.980 . . . . . 118 ILE N 52719 1 9 . 1 1 19 19 THR N N 15 4.310 . . . . . 119 THR N 52719 1 10 . 1 1 20 20 GLU N N 15 3.870 . . . . . 120 GLU N 52719 1 11 . 1 1 21 21 GLY N N 15 3.720 . . . . . 121 GLY N 52719 1 12 . 1 1 22 22 ALA N N 15 3.620 . . . . . 122 ALA N 52719 1 13 . 1 1 23 23 PHE N N 15 5.290 . . . . . 123 PHE N 52719 1 14 . 1 1 25 25 GLY N N 15 4.580 . . . . . 125 GLY N 52719 1 15 . 1 1 26 26 PHE N N 15 4.540 . . . . . 126 PHE N 52719 1 16 . 1 1 28 28 ALA N N 15 2.360 . . . . . 128 ALA N 52719 1 17 . 1 1 29 29 ILE N N 15 5.440 . . . . . 129 ILE N 52719 1 18 . 1 1 32 32 GLU N N 15 4.450 . . . . . 132 GLU N 52719 1 19 . 1 1 34 34 ASP N N 15 4.300 . . . . . 134 ASP N 52719 1 20 . 1 1 35 35 GLY N N 15 6.720 . . . . . 135 GLY N 52719 1 21 . 1 1 36 36 GLU N N 15 4.750 . . . . . 136 GLU N 52719 1 22 . 1 1 37 37 ALA N N 15 5.220 . . . . . 137 ALA N 52719 1 23 . 1 1 38 38 ARG N N 15 4.800 . . . . . 138 ARG N 52719 1 24 . 1 1 39 39 SER N N 15 5.420 . . . . . 139 SER N 52719 1 25 . 1 1 40 40 MET N N 15 4.370 . . . . . 140 MET N 52719 1 26 . 1 1 41 41 LEU N N 15 6.420 . . . . . 141 LEU N 52719 1 27 . 1 1 42 42 LEU N N 15 6.620 . . . . . 142 LEU N 52719 1 28 . 1 1 43 43 LEU N N 15 6.790 . . . . . 143 LEU N 52719 1 29 . 1 1 44 44 ASN N N 15 6.310 . . . . . 144 ASN N 52719 1 30 . 1 1 45 45 LEU N N 15 5.890 . . . . . 145 LEU N 52719 1 31 . 1 1 47 47 ASN N N 15 6.610 . . . . . 147 ASN N 52719 1 32 . 1 1 48 48 LYS N N 15 5.650 . . . . . 148 LYS N 52719 1 33 . 1 1 49 49 GLU N N 15 5.550 . . . . . 149 GLU N 52719 1 34 . 1 1 54 54 VAL N N 15 4.400 . . . . . 154 VAL N 52719 1 35 . 1 1 55 55 LYS N N 15 3.900 . . . . . 155 LYS N 52719 1 36 . 1 1 57 57 THR N N 15 3.510 . . . . . 157 THR N 52719 1 37 . 1 1 58 58 GLU N N 15 3.270 . . . . . 158 GLU N 52719 1 38 . 1 1 59 59 PHE N N 15 3.390 . . . . . 159 PHE N 52719 1 39 . 1 1 60 60 ARG N N 15 3.540 . . . . . 160 ARG N 52719 1 40 . 1 1 62 62 LEU N N 15 2.070 . . . . . 162 LEU N 52719 1 stop_ save_