data_52763 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52763 _Entry.Title ; DNAJB1 F94L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-12-17 _Entry.Accession_date 2024-12-17 _Entry.Last_release_date 2024-12-17 _Entry.Original_release_date 2024-12-17 _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 Billy Hobbs . . . . 52763 2 Theodoros Karamanos . . . . 52763 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Imperial College London' . 52763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 98 52763 '1H chemical shifts' 98 52763 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 . . 2025-06-04 . original BMRB . 52763 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52762 'DNAJB1 Y94L' 52763 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52763 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40450039 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A low-complexity linker as a driver of intra- and intermolecular interactions in DNAJB chaperones ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 5070 _Citation.Page_last 5070 _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 Billy Hobbs . . . . 52763 1 2 Noor Limmer . . . . 52763 1 3 Felipe Ossa . . . . 52763 1 4 Ella Knupling . . . . 52763 1 5 Samuel Lenton . . . . 52763 1 6 Vito Fodera . . . . 52763 1 7 Arnout Kalverda . P. . . 52763 1 8 Theodoros Karamanos . . . . 52763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52763 _Assembly.ID 1 _Assembly.Name 'DNAJB1 F94L' _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 12266.46 _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 'DNAJB1 F94L' 1 $entity_1 . . yes native no no . . . 52763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52763 _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 ; MGKDYYQTLGLARGASDEEI KRAYRRQALRYHPDKNKEPG AEEKFKEIAEAYDVLSDPRK REIFDRYGEEGLKGSGPSGG SGGGANGTSFSYTLHGDPHA MFAEFFGGRNP ; _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 111 _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 12266.46 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 50167 . . . . . . . . . . . . . . . . 52763 1 2 yes PDB 6Z5N . . . . . . . . . . . . . . . . 52763 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52763 1 2 . GLY . 52763 1 3 . LYS . 52763 1 4 . ASP . 52763 1 5 . TYR . 52763 1 6 . TYR . 52763 1 7 . GLN . 52763 1 8 . THR . 52763 1 9 . LEU . 52763 1 10 . GLY . 52763 1 11 . LEU . 52763 1 12 . ALA . 52763 1 13 . ARG . 52763 1 14 . GLY . 52763 1 15 . ALA . 52763 1 16 . SER . 52763 1 17 . ASP . 52763 1 18 . GLU . 52763 1 19 . GLU . 52763 1 20 . ILE . 52763 1 21 . LYS . 52763 1 22 . ARG . 52763 1 23 . ALA . 52763 1 24 . TYR . 52763 1 25 . ARG . 52763 1 26 . ARG . 52763 1 27 . GLN . 52763 1 28 . ALA . 52763 1 29 . LEU . 52763 1 30 . ARG . 52763 1 31 . TYR . 52763 1 32 . HIS . 52763 1 33 . PRO . 52763 1 34 . ASP . 52763 1 35 . LYS . 52763 1 36 . ASN . 52763 1 37 . LYS . 52763 1 38 . GLU . 52763 1 39 . PRO . 52763 1 40 . GLY . 52763 1 41 . ALA . 52763 1 42 . GLU . 52763 1 43 . GLU . 52763 1 44 . LYS . 52763 1 45 . PHE . 52763 1 46 . LYS . 52763 1 47 . GLU . 52763 1 48 . ILE . 52763 1 49 . ALA . 52763 1 50 . GLU . 52763 1 51 . ALA . 52763 1 52 . TYR . 52763 1 53 . ASP . 52763 1 54 . VAL . 52763 1 55 . LEU . 52763 1 56 . SER . 52763 1 57 . ASP . 52763 1 58 . PRO . 52763 1 59 . ARG . 52763 1 60 . LYS . 52763 1 61 . ARG . 52763 1 62 . GLU . 52763 1 63 . ILE . 52763 1 64 . PHE . 52763 1 65 . ASP . 52763 1 66 . ARG . 52763 1 67 . TYR . 52763 1 68 . GLY . 52763 1 69 . GLU . 52763 1 70 . GLU . 52763 1 71 . GLY . 52763 1 72 . LEU . 52763 1 73 . LYS . 52763 1 74 . GLY . 52763 1 75 . SER . 52763 1 76 . GLY . 52763 1 77 . PRO . 52763 1 78 . SER . 52763 1 79 . GLY . 52763 1 80 . GLY . 52763 1 81 . SER . 52763 1 82 . GLY . 52763 1 83 . GLY . 52763 1 84 . GLY . 52763 1 85 . ALA . 52763 1 86 . ASN . 52763 1 87 . GLY . 52763 1 88 . THR . 52763 1 89 . SER . 52763 1 90 . PHE . 52763 1 91 . SER . 52763 1 92 . TYR . 52763 1 93 . THR . 52763 1 94 . LEU . 52763 1 95 . HIS . 52763 1 96 . GLY . 52763 1 97 . ASP . 52763 1 98 . PRO . 52763 1 99 . HIS . 52763 1 100 . ALA . 52763 1 101 . MET . 52763 1 102 . PHE . 52763 1 103 . ALA . 52763 1 104 . GLU . 52763 1 105 . PHE . 52763 1 106 . PHE . 52763 1 107 . GLY . 52763 1 108 . GLY . 52763 1 109 . ARG . 52763 1 110 . ASN . 52763 1 111 . PRO . 52763 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52763 1 . GLY 2 2 52763 1 . LYS 3 3 52763 1 . ASP 4 4 52763 1 . TYR 5 5 52763 1 . TYR 6 6 52763 1 . GLN 7 7 52763 1 . THR 8 8 52763 1 . LEU 9 9 52763 1 . GLY 10 10 52763 1 . LEU 11 11 52763 1 . ALA 12 12 52763 1 . ARG 13 13 52763 1 . GLY 14 14 52763 1 . ALA 15 15 52763 1 . SER 16 16 52763 1 . ASP 17 17 52763 1 . GLU 18 18 52763 1 . GLU 19 19 52763 1 . ILE 20 20 52763 1 . LYS 21 21 52763 1 . ARG 22 22 52763 1 . ALA 23 23 52763 1 . TYR 24 24 52763 1 . ARG 25 25 52763 1 . ARG 26 26 52763 1 . GLN 27 27 52763 1 . ALA 28 28 52763 1 . LEU 29 29 52763 1 . ARG 30 30 52763 1 . TYR 31 31 52763 1 . HIS 32 32 52763 1 . PRO 33 33 52763 1 . ASP 34 34 52763 1 . LYS 35 35 52763 1 . ASN 36 36 52763 1 . LYS 37 37 52763 1 . GLU 38 38 52763 1 . PRO 39 39 52763 1 . GLY 40 40 52763 1 . ALA 41 41 52763 1 . GLU 42 42 52763 1 . GLU 43 43 52763 1 . LYS 44 44 52763 1 . PHE 45 45 52763 1 . LYS 46 46 52763 1 . GLU 47 47 52763 1 . ILE 48 48 52763 1 . ALA 49 49 52763 1 . GLU 50 50 52763 1 . ALA 51 51 52763 1 . TYR 52 52 52763 1 . ASP 53 53 52763 1 . VAL 54 54 52763 1 . LEU 55 55 52763 1 . SER 56 56 52763 1 . ASP 57 57 52763 1 . PRO 58 58 52763 1 . ARG 59 59 52763 1 . LYS 60 60 52763 1 . ARG 61 61 52763 1 . GLU 62 62 52763 1 . ILE 63 63 52763 1 . PHE 64 64 52763 1 . ASP 65 65 52763 1 . ARG 66 66 52763 1 . TYR 67 67 52763 1 . GLY 68 68 52763 1 . GLU 69 69 52763 1 . GLU 70 70 52763 1 . GLY 71 71 52763 1 . LEU 72 72 52763 1 . LYS 73 73 52763 1 . GLY 74 74 52763 1 . SER 75 75 52763 1 . GLY 76 76 52763 1 . PRO 77 77 52763 1 . SER 78 78 52763 1 . GLY 79 79 52763 1 . GLY 80 80 52763 1 . SER 81 81 52763 1 . GLY 82 82 52763 1 . GLY 83 83 52763 1 . GLY 84 84 52763 1 . ALA 85 85 52763 1 . ASN 86 86 52763 1 . GLY 87 87 52763 1 . THR 88 88 52763 1 . SER 89 89 52763 1 . PHE 90 90 52763 1 . SER 91 91 52763 1 . TYR 92 92 52763 1 . THR 93 93 52763 1 . LEU 94 94 52763 1 . HIS 95 95 52763 1 . GLY 96 96 52763 1 . ASP 97 97 52763 1 . PRO 98 98 52763 1 . HIS 99 99 52763 1 . ALA 100 100 52763 1 . MET 101 101 52763 1 . PHE 102 102 52763 1 . ALA 103 103 52763 1 . GLU 104 104 52763 1 . PHE 105 105 52763 1 . PHE 106 106 52763 1 . GLY 107 107 52763 1 . GLY 108 108 52763 1 . ARG 109 109 52763 1 . ASN 110 110 52763 1 . PRO 111 111 52763 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 52763 _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 . . . . . . . . . . . . . 52763 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 52763 _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 . . pET-15b . . . 52763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52763 _Sample.ID 1 _Sample.Name sample_1 _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 'DNAJB1 F94L' '[U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 52763 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52763 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52763 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 52763 1 5 MES 'natural abundance' . . . . . . 5 . . mM . . . . 52763 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 52763 _Sample_condition_list.ID 1 _Sample_condition_list.Name conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 75 . mM 52763 1 pH 7 . pH 52763 1 pressure 1 . atm 52763 1 temperature 298 . K 52763 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52763 _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 . 52763 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52763 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52763 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 52763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52763 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52763 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 52763 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _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 H 1 water protons . . . . ppm 4.78 internal direct 1 . . . . . 52763 1 N 15 water protons . . . . ppm 4.78 internal indirect . . . . . . 52763 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 52763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shifts_1 _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 1 '2D 1H-15N HSQC' . . . 52763 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 . . 52763 1 2 $software_2 . . 52763 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 3 3 LYS H H 1 8.403 . . 1 . . . . . 3 LYS HN . 52763 1 2 . 1 . 1 3 3 LYS N N 15 121.643 . . 1 . . . . . 3 LYS N . 52763 1 3 . 1 . 1 4 4 ASP H H 1 8.344 . . 1 . . . . . 4 ASP HN . 52763 1 4 . 1 . 1 4 4 ASP N N 15 120.560 . . 1 . . . . . 4 ASP N . 52763 1 5 . 1 . 1 5 5 TYR H H 1 5.906 . . 1 . . . . . 5 TYR HN . 52763 1 6 . 1 . 1 5 5 TYR N N 15 121.324 . . 1 . . . . . 5 TYR N . 52763 1 7 . 1 . 1 6 6 TYR H H 1 7.776 . . 1 . . . . . 6 TYR HN . 52763 1 8 . 1 . 1 6 6 TYR N N 15 114.460 . . 1 . . . . . 6 TYR N . 52763 1 9 . 1 . 1 7 7 GLN H H 1 7.765 . . 1 . . . . . 7 GLN HN . 52763 1 10 . 1 . 1 7 7 GLN N N 15 121.052 . . 1 . . . . . 7 GLN N . 52763 1 11 . 1 . 1 8 8 THR H H 1 8.225 . . 1 . . . . . 8 THR HN . 52763 1 12 . 1 . 1 8 8 THR N N 15 118.029 . . 1 . . . . . 8 THR N . 52763 1 13 . 1 . 1 9 9 LEU H H 1 6.936 . . 1 . . . . . 9 LEU HN . 52763 1 14 . 1 . 1 9 9 LEU N N 15 115.718 . . 1 . . . . . 9 LEU N . 52763 1 15 . 1 . 1 10 10 GLY H H 1 7.959 . . 1 . . . . . 10 GLY HN . 52763 1 16 . 1 . 1 10 10 GLY N N 15 109.477 . . 1 . . . . . 10 GLY N . 52763 1 17 . 1 . 1 11 11 LEU H H 1 8.093 . . 1 . . . . . 11 LEU HN . 52763 1 18 . 1 . 1 11 11 LEU N N 15 119.581 . . 1 . . . . . 11 LEU N . 52763 1 19 . 1 . 1 12 12 ALA H H 1 8.105 . . 1 . . . . . 12 ALA HN . 52763 1 20 . 1 . 1 12 12 ALA N N 15 122.420 . . 1 . . . . . 12 ALA N . 52763 1 21 . 1 . 1 13 13 ARG H H 1 7.920 . . 1 . . . . . 13 ARG HN . 52763 1 22 . 1 . 1 13 13 ARG N N 15 117.895 . . 1 . . . . . 13 ARG N . 52763 1 23 . 1 . 1 14 14 GLY H H 1 7.758 . . 1 . . . . . 14 GLY HN . 52763 1 24 . 1 . 1 14 14 GLY N N 15 108.236 . . 1 . . . . . 14 GLY N . 52763 1 25 . 1 . 1 15 15 ALA H H 1 7.152 . . 1 . . . . . 15 ALA HN . 52763 1 26 . 1 . 1 15 15 ALA N N 15 121.901 . . 1 . . . . . 15 ALA N . 52763 1 27 . 1 . 1 16 16 SER H H 1 8.941 . . 1 . . . . . 16 SER HN . 52763 1 28 . 1 . 1 16 16 SER N N 15 118.304 . . 1 . . . . . 16 SER N . 52763 1 29 . 1 . 1 17 17 ASP H H 1 8.799 . . 1 . . . . . 17 ASP HN . 52763 1 30 . 1 . 1 17 17 ASP N N 15 120.268 . . 1 . . . . . 17 ASP N . 52763 1 31 . 1 . 1 18 18 GLU H H 1 8.566 . . 1 . . . . . 18 GLU HN . 52763 1 32 . 1 . 1 18 18 GLU N N 15 119.292 . . 1 . . . . . 18 GLU N . 52763 1 33 . 1 . 1 19 19 GLU H H 1 7.857 . . 1 . . . . . 19 GLU HN . 52763 1 34 . 1 . 1 19 19 GLU N N 15 120.592 . . 1 . . . . . 19 GLU N . 52763 1 35 . 1 . 1 20 20 ILE H H 1 8.375 . . 1 . . . . . 20 ILE HN . 52763 1 36 . 1 . 1 20 20 ILE N N 15 122.123 . . 1 . . . . . 20 ILE N . 52763 1 37 . 1 . 1 21 21 LYS H H 1 7.887 . . 1 . . . . . 21 LYS HN . 52763 1 38 . 1 . 1 21 21 LYS N N 15 119.327 . . 1 . . . . . 21 LYS N . 52763 1 39 . 1 . 1 22 22 ARG H H 1 8.146 . . 1 . . . . . 22 ARG HN . 52763 1 40 . 1 . 1 22 22 ARG N N 15 117.970 . . 1 . . . . . 22 ARG N . 52763 1 41 . 1 . 1 23 23 ALA H H 1 8.289 . . 1 . . . . . 23 ALA HN . 52763 1 42 . 1 . 1 23 23 ALA N N 15 122.760 . . 1 . . . . . 23 ALA N . 52763 1 43 . 1 . 1 24 24 TYR H H 1 8.369 . . 1 . . . . . 24 TYR HN . 52763 1 44 . 1 . 1 24 24 TYR N N 15 118.400 . . 1 . . . . . 24 TYR N . 52763 1 45 . 1 . 1 25 25 ARG H H 1 7.813 . . 1 . . . . . 25 ARG HN . 52763 1 46 . 1 . 1 25 25 ARG N N 15 117.165 . . 1 . . . . . 25 ARG N . 52763 1 47 . 1 . 1 26 26 ARG H H 1 7.636 . . 1 . . . . . 26 ARG HN . 52763 1 48 . 1 . 1 26 26 ARG N N 15 115.084 . . 1 . . . . . 26 ARG N . 52763 1 49 . 1 . 1 27 27 GLN H H 1 8.569 . . 1 . . . . . 27 GLN HN . 52763 1 50 . 1 . 1 27 27 GLN N N 15 118.009 . . 1 . . . . . 27 GLN N . 52763 1 51 . 1 . 1 28 28 ALA H H 1 9.210 . . 1 . . . . . 28 ALA HN . 52763 1 52 . 1 . 1 28 28 ALA N N 15 122.168 . . 1 . . . . . 28 ALA N . 52763 1 53 . 1 . 1 29 29 LEU H H 1 7.288 . . 1 . . . . . 29 LEU HN . 52763 1 54 . 1 . 1 29 29 LEU N N 15 113.787 . . 1 . . . . . 29 LEU N . 52763 1 55 . 1 . 1 30 30 ARG H H 1 7.270 . . 1 . . . . . 30 ARG HN . 52763 1 56 . 1 . 1 30 30 ARG N N 15 117.343 . . 1 . . . . . 30 ARG N . 52763 1 57 . 1 . 1 31 31 TYR H H 1 7.500 . . 1 . . . . . 31 TYR HN . 52763 1 58 . 1 . 1 31 31 TYR N N 15 113.700 . . 1 . . . . . 31 TYR N . 52763 1 59 . 1 . 1 32 32 HIS H H 1 7.188 . . 1 . . . . . 32 HIS HN . 52763 1 60 . 1 . 1 32 32 HIS N N 15 122.305 . . 1 . . . . . 32 HIS N . 52763 1 61 . 1 . 1 34 34 ASP H H 1 10.317 . . 1 . . . . . 34 ASP HN . 52763 1 62 . 1 . 1 34 34 ASP N N 15 120.445 . . 1 . . . . . 34 ASP N . 52763 1 63 . 1 . 1 35 35 LYS H H 1 7.871 . . 1 . . . . . 35 LYS HN . 52763 1 64 . 1 . 1 35 35 LYS N N 15 116.840 . . 1 . . . . . 35 LYS N . 52763 1 65 . 1 . 1 36 36 ASN H H 1 8.160 . . 1 . . . . . 36 ASN HN . 52763 1 66 . 1 . 1 36 36 ASN N N 15 119.844 . . 1 . . . . . 36 ASN N . 52763 1 67 . 1 . 1 37 37 LYS H H 1 8.549 . . 1 . . . . . 37 LYS HN . 52763 1 68 . 1 . 1 37 37 LYS N N 15 122.298 . . 1 . . . . . 37 LYS N . 52763 1 69 . 1 . 1 38 38 GLU H H 1 8.465 . . 1 . . . . . 38 GLU HN . 52763 1 70 . 1 . 1 38 38 GLU N N 15 122.990 . . 1 . . . . . 38 GLU N . 52763 1 71 . 1 . 1 40 40 GLY H H 1 8.927 . . 1 . . . . . 40 GLY HN . 52763 1 72 . 1 . 1 40 40 GLY N N 15 111.992 . . 1 . . . . . 40 GLY N . 52763 1 73 . 1 . 1 41 41 ALA H H 1 7.891 . . 1 . . . . . 41 ALA HN . 52763 1 74 . 1 . 1 41 41 ALA N N 15 124.742 . . 1 . . . . . 41 ALA N . 52763 1 75 . 1 . 1 42 42 GLU H H 1 8.662 . . 1 . . . . . 42 GLU HN . 52763 1 76 . 1 . 1 42 42 GLU N N 15 117.255 . . 1 . . . . . 42 GLU N . 52763 1 77 . 1 . 1 43 43 GLU H H 1 8.187 . . 1 . . . . . 43 GLU HN . 52763 1 78 . 1 . 1 43 43 GLU N N 15 120.451 . . 1 . . . . . 43 GLU N . 52763 1 79 . 1 . 1 44 44 LYS H H 1 7.713 . . 1 . . . . . 44 LYS HN . 52763 1 80 . 1 . 1 44 44 LYS N N 15 120.495 . . 1 . . . . . 44 LYS N . 52763 1 81 . 1 . 1 45 45 PHE H H 1 8.883 . . 1 . . . . . 45 PHE HN . 52763 1 82 . 1 . 1 45 45 PHE N N 15 120.061 . . 1 . . . . . 45 PHE N . 52763 1 83 . 1 . 1 46 46 LYS H H 1 7.890 . . 1 . . . . . 46 LYS HN . 52763 1 84 . 1 . 1 46 46 LYS N N 15 119.743 . . 1 . . . . . 46 LYS N . 52763 1 85 . 1 . 1 47 47 GLU H H 1 7.933 . . 1 . . . . . 47 GLU HN . 52763 1 86 . 1 . 1 47 47 GLU N N 15 120.634 . . 1 . . . . . 47 GLU N . 52763 1 87 . 1 . 1 48 48 ILE H H 1 8.286 . . 1 . . . . . 48 ILE HN . 52763 1 88 . 1 . 1 48 48 ILE N N 15 121.514 . . 1 . . . . . 48 ILE N . 52763 1 89 . 1 . 1 49 49 ALA H H 1 7.358 . . 1 . . . . . 49 ALA HN . 52763 1 90 . 1 . 1 49 49 ALA N N 15 121.933 . . 1 . . . . . 49 ALA N . 52763 1 91 . 1 . 1 50 50 GLU H H 1 7.666 . . 1 . . . . . 50 GLU HN . 52763 1 92 . 1 . 1 50 50 GLU N N 15 118.101 . . 1 . . . . . 50 GLU N . 52763 1 93 . 1 . 1 51 51 ALA H H 1 7.820 . . 1 . . . . . 51 ALA HN . 52763 1 94 . 1 . 1 51 51 ALA N N 15 118.480 . . 1 . . . . . 51 ALA N . 52763 1 95 . 1 . 1 52 52 TYR H H 1 8.039 . . 1 . . . . . 52 TYR HN . 52763 1 96 . 1 . 1 52 52 TYR N N 15 116.368 . . 1 . . . . . 52 TYR N . 52763 1 97 . 1 . 1 53 53 ASP H H 1 8.279 . . 1 . . . . . 53 ASP HN . 52763 1 98 . 1 . 1 53 53 ASP N N 15 122.251 . . 1 . . . . . 53 ASP N . 52763 1 99 . 1 . 1 54 54 VAL H H 1 7.116 . . 1 . . . . . 54 VAL HN . 52763 1 100 . 1 . 1 54 54 VAL N N 15 114.431 . . 1 . . . . . 54 VAL N . 52763 1 101 . 1 . 1 55 55 LEU H H 1 7.561 . . 1 . . . . . 55 LEU HN . 52763 1 102 . 1 . 1 55 55 LEU N N 15 110.667 . . 1 . . . . . 55 LEU N . 52763 1 103 . 1 . 1 56 56 SER H H 1 7.808 . . 1 . . . . . 56 SER HN . 52763 1 104 . 1 . 1 56 56 SER N N 15 109.858 . . 1 . . . . . 56 SER N . 52763 1 105 . 1 . 1 57 57 ASP H H 1 6.881 . . 1 . . . . . 57 ASP HN . 52763 1 106 . 1 . 1 57 57 ASP N N 15 124.784 . . 1 . . . . . 57 ASP N . 52763 1 107 . 1 . 1 59 59 ARG H H 1 7.837 . . 1 . . . . . 59 ARG HN . 52763 1 108 . 1 . 1 59 59 ARG N N 15 116.337 . . 1 . . . . . 59 ARG N . 52763 1 109 . 1 . 1 60 60 LYS H H 1 7.532 . . 1 . . . . . 60 LYS HN . 52763 1 110 . 1 . 1 60 60 LYS N N 15 119.209 . . 1 . . . . . 60 LYS N . 52763 1 111 . 1 . 1 61 61 ARG H H 1 9.130 . . 1 . . . . . 61 ARG HN . 52763 1 112 . 1 . 1 61 61 ARG N N 15 121.437 . . 1 . . . . . 61 ARG N . 52763 1 113 . 1 . 1 62 62 GLU H H 1 7.559 . . 1 . . . . . 62 GLU HN . 52763 1 114 . 1 . 1 62 62 GLU N N 15 116.934 . . 1 . . . . . 62 GLU N . 52763 1 115 . 1 . 1 63 63 ILE H H 1 7.294 . . 1 . . . . . 63 ILE HN . 52763 1 116 . 1 . 1 63 63 ILE N N 15 118.660 . . 1 . . . . . 63 ILE N . 52763 1 117 . 1 . 1 64 64 PHE H H 1 8.864 . . 1 . . . . . 64 PHE HN . 52763 1 118 . 1 . 1 64 64 PHE N N 15 121.679 . . 1 . . . . . 64 PHE N . 52763 1 119 . 1 . 1 65 65 ASP H H 1 9.471 . . 1 . . . . . 65 ASP HN . 52763 1 120 . 1 . 1 65 65 ASP N N 15 121.746 . . 1 . . . . . 65 ASP N . 52763 1 121 . 1 . 1 66 66 ARG H H 1 7.370 . . 1 . . . . . 66 ARG HN . 52763 1 122 . 1 . 1 66 66 ARG N N 15 116.749 . . 1 . . . . . 66 ARG N . 52763 1 123 . 1 . 1 67 67 TYR H H 1 8.622 . . 1 . . . . . 67 TYR HN . 52763 1 124 . 1 . 1 67 67 TYR N N 15 115.676 . . 1 . . . . . 67 TYR N . 52763 1 125 . 1 . 1 68 68 GLY H H 1 8.282 . . 1 . . . . . 68 GLY HN . 52763 1 126 . 1 . 1 68 68 GLY N N 15 110.347 . . 1 . . . . . 68 GLY N . 52763 1 127 . 1 . 1 69 69 GLU H H 1 9.063 . . 1 . . . . . 69 GLU HN . 52763 1 128 . 1 . 1 69 69 GLU N N 15 121.890 . . 1 . . . . . 69 GLU N . 52763 1 129 . 1 . 1 70 70 GLU H H 1 9.014 . . 1 . . . . . 70 GLU HN . 52763 1 130 . 1 . 1 70 70 GLU N N 15 117.851 . . 1 . . . . . 70 GLU N . 52763 1 131 . 1 . 1 71 71 GLY H H 1 7.615 . . 1 . . . . . 71 GLY HN . 52763 1 132 . 1 . 1 71 71 GLY N N 15 105.085 . . 1 . . . . . 71 GLY N . 52763 1 133 . 1 . 1 72 72 LEU H H 1 7.629 . . 1 . . . . . 72 LEU HN . 52763 1 134 . 1 . 1 72 72 LEU N N 15 120.009 . . 1 . . . . . 72 LEU N . 52763 1 135 . 1 . 1 73 73 LYS H H 1 8.096 . . 1 . . . . . 73 LYS HN . 52763 1 136 . 1 . 1 73 73 LYS N N 15 115.140 . . 1 . . . . . 73 LYS N . 52763 1 137 . 1 . 1 74 74 GLY H H 1 7.970 . . 1 . . . . . 74 GLY HN . 52763 1 138 . 1 . 1 74 74 GLY N N 15 108.354 . . 1 . . . . . 74 GLY N . 52763 1 139 . 1 . 1 75 75 SER H H 1 8.254 . . 1 . . . . . 75 SER HN . 52763 1 140 . 1 . 1 75 75 SER N N 15 114.303 . . 1 . . . . . 75 SER N . 52763 1 141 . 1 . 1 76 76 GLY H H 1 8.184 . . 1 . . . . . 76 GLY HN . 52763 1 142 . 1 . 1 76 76 GLY N N 15 110.480 . . 1 . . . . . 76 GLY N . 52763 1 143 . 1 . 1 78 78 SER H H 1 8.374 . . 1 . . . . . 78 SER HN . 52763 1 144 . 1 . 1 78 78 SER N N 15 115.721 . . 1 . . . . . 78 SER N . 52763 1 145 . 1 . 1 81 81 SER H H 1 8.278 . . 1 . . . . . 81 SER HN . 52763 1 146 . 1 . 1 81 81 SER N N 15 115.672 . . 1 . . . . . 81 SER N . 52763 1 147 . 1 . 1 82 82 GLY H H 1 8.452 . . 1 . . . . . 82 GLY HN . 52763 1 148 . 1 . 1 82 82 GLY N N 15 110.889 . . 1 . . . . . 82 GLY N . 52763 1 149 . 1 . 1 84 84 GLY H H 1 8.207 . . 1 . . . . . 84 GLY HN . 52763 1 150 . 1 . 1 84 84 GLY N N 15 108.753 . . 1 . . . . . 84 GLY N . 52763 1 151 . 1 . 1 85 85 ALA H H 1 8.207 . . 1 . . . . . 85 ALA HN . 52763 1 152 . 1 . 1 85 85 ALA N N 15 123.842 . . 1 . . . . . 85 ALA N . 52763 1 153 . 1 . 1 86 86 ASN H H 1 8.388 . . 1 . . . . . 86 ASN HN . 52763 1 154 . 1 . 1 86 86 ASN N N 15 117.218 . . 1 . . . . . 86 ASN N . 52763 1 155 . 1 . 1 87 87 GLY H H 1 8.190 . . 1 . . . . . 87 GLY HN . 52763 1 156 . 1 . 1 87 87 GLY N N 15 108.786 . . 1 . . . . . 87 GLY N . 52763 1 157 . 1 . 1 88 88 THR H H 1 7.946 . . 1 . . . . . 88 THR HN . 52763 1 158 . 1 . 1 88 88 THR N N 15 113.003 . . 1 . . . . . 88 THR N . 52763 1 159 . 1 . 1 89 89 SER H H 1 8.206 . . 1 . . . . . 89 SER HN . 52763 1 160 . 1 . 1 89 89 SER N N 15 117.783 . . 1 . . . . . 89 SER N . 52763 1 161 . 1 . 1 90 90 PHE H H 1 8.195 . . 1 . . . . . 90 PHE HN . 52763 1 162 . 1 . 1 90 90 PHE N N 15 122.352 . . 1 . . . . . 90 PHE N . 52763 1 163 . 1 . 1 91 91 SER H H 1 8.014 . . 1 . . . . . 91 SER HN . 52763 1 164 . 1 . 1 91 91 SER N N 15 117.442 . . 1 . . . . . 91 SER N . 52763 1 165 . 1 . 1 92 92 TYR H H 1 8.226 . . 1 . . . . . 92 TYR HN . 52763 1 166 . 1 . 1 92 92 TYR N N 15 123.101 . . 1 . . . . . 92 TYR N . 52763 1 167 . 1 . 1 93 93 THR H H 1 7.648 . . 1 . . . . . 93 THR HN . 52763 1 168 . 1 . 1 93 93 THR N N 15 116.455 . . 1 . . . . . 93 THR N . 52763 1 169 . 1 . 1 94 94 LEU H H 1 8.020 . . 1 . . . . . 94 LEU HN . 52763 1 170 . 1 . 1 94 94 LEU N N 15 124.383 . . 1 . . . . . 94 LEU N . 52763 1 171 . 1 . 1 96 96 GLY H H 1 8.527 . . 1 . . . . . 96 GLY HN . 52763 1 172 . 1 . 1 96 96 GLY N N 15 110.805 . . 1 . . . . . 96 GLY N . 52763 1 173 . 1 . 1 99 99 HIS H H 1 8.420 . . 1 . . . . . 99 HIS HN . 52763 1 174 . 1 . 1 99 99 HIS N N 15 118.794 . . 1 . . . . . 99 HIS N . 52763 1 175 . 1 . 1 100 100 ALA H H 1 8.034 . . 1 . . . . . 100 ALA HN . 52763 1 176 . 1 . 1 100 100 ALA N N 15 125.819 . . 1 . . . . . 100 ALA N . 52763 1 177 . 1 . 1 101 101 MET H H 1 8.237 . . 1 . . . . . 101 MET HN . 52763 1 178 . 1 . 1 101 101 MET N N 15 118.558 . . 1 . . . . . 101 MET N . 52763 1 179 . 1 . 1 102 102 PHE H H 1 7.733 . . 1 . . . . . 102 PHE HN . 52763 1 180 . 1 . 1 102 102 PHE N N 15 119.896 . . 1 . . . . . 102 PHE N . 52763 1 181 . 1 . 1 103 103 ALA H H 1 8.098 . . 1 . . . . . 103 ALA HN . 52763 1 182 . 1 . 1 103 103 ALA N N 15 121.688 . . 1 . . . . . 103 ALA N . 52763 1 183 . 1 . 1 104 104 GLU H H 1 8.113 . . 1 . . . . . 104 GLU HN . 52763 1 184 . 1 . 1 104 104 GLU N N 15 118.397 . . 1 . . . . . 104 GLU N . 52763 1 185 . 1 . 1 105 105 PHE H H 1 8.052 . . 1 . . . . . 105 PHE HN . 52763 1 186 . 1 . 1 105 105 PHE N N 15 119.546 . . 1 . . . . . 105 PHE N . 52763 1 187 . 1 . 1 106 106 PHE H H 1 8.283 . . 1 . . . . . 106 PHE HN . 52763 1 188 . 1 . 1 106 106 PHE N N 15 117.346 . . 1 . . . . . 106 PHE N . 52763 1 189 . 1 . 1 107 107 GLY H H 1 7.840 . . 1 . . . . . 107 GLY HN . 52763 1 190 . 1 . 1 107 107 GLY N N 15 109.139 . . 1 . . . . . 107 GLY N . 52763 1 191 . 1 . 1 108 108 GLY H H 1 8.067 . . 1 . . . . . 108 GLY HN . 52763 1 192 . 1 . 1 108 108 GLY N N 15 108.051 . . 1 . . . . . 108 GLY N . 52763 1 193 . 1 . 1 109 109 ARG H H 1 7.993 . . 1 . . . . . 109 ARG HN . 52763 1 194 . 1 . 1 109 109 ARG N N 15 119.597 . . 1 . . . . . 109 ARG N . 52763 1 195 . 1 . 1 110 110 ASN H H 1 8.371 . . 1 . . . . . 110 ASN HN . 52763 1 196 . 1 . 1 110 110 ASN N N 15 120.824 . . 1 . . . . . 110 ASN N . 52763 1 stop_ save_