data_26340 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26340 _Entry.Title ; Backbone resonance assignments of HNF1B POUhd ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-09 _Entry.Accession_date 2023-12-14 _Entry.Last_release_date 2023-12-14 _Entry.Original_release_date 2023-12-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _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 Sayaka Hokazono . . . . 26340 2 Takahisa Ikegami . . . . 26340 3 Tsuyoshi Konuma . . . . 26340 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26340 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 72 26340 '1H chemical shifts' 72 26340 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-03-26 . original BMRB . 26340 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26339 'Backbone resonance assignments of HNF1B POUs' 26340 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26340 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38451454 _Citation.DOI 10.1007/s12104-024-10168-4 _Citation.Full_citation . _Citation.Title ; (1)H, (13)C and (15)N backbone resonance assignments of hepatocyte nuclear factor-1-beta (HNF1b) POU(S) and POU(HD). ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 18 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 59 _Citation.Page_last 63 _Citation.Year 2024 _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 Sayaka Hokazono S. . . . 26340 1 2 Eri Imagawa E. . . . 26340 1 3 Daishi Hirano D. . . . 26340 1 4 Takahisa Ikegami T. . . . 26340 1 5 Kimihiko Oishi K. . . . 26340 1 6 Tsuyoshi Konuma T. . . . 26340 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26340 _Assembly.ID 1 _Assembly.Name 'HNF1B POUhd' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HNF1B POUhd' 1 $entity_1 . . yes native no no . . . 26340 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26340 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HNF1B POUhd' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; GPGMRRNRFKWGPASQQILY QAYDRQKNPSKEEREALVEE CNRAECLQRGVSPSKAHGLG SNLVTEVRVYNWFANRRKEE AFRQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 26340 1 2 -1 PRO . 26340 1 3 0 GLY . 26340 1 4 1 MET . 26340 1 5 2 ARG . 26340 1 6 3 ARG . 26340 1 7 4 ASN . 26340 1 8 5 ARG . 26340 1 9 6 PHE . 26340 1 10 7 LYS . 26340 1 11 8 TRP . 26340 1 12 9 GLY . 26340 1 13 10 PRO . 26340 1 14 11 ALA . 26340 1 15 12 SER . 26340 1 16 13 GLN . 26340 1 17 14 GLN . 26340 1 18 15 ILE . 26340 1 19 16 LEU . 26340 1 20 17 TYR . 26340 1 21 18 GLN . 26340 1 22 19 ALA . 26340 1 23 20 TYR . 26340 1 24 21 ASP . 26340 1 25 22 ARG . 26340 1 26 23 GLN . 26340 1 27 24 LYS . 26340 1 28 25 ASN . 26340 1 29 26 PRO . 26340 1 30 27 SER . 26340 1 31 28 LYS . 26340 1 32 29 GLU . 26340 1 33 30 GLU . 26340 1 34 31 ARG . 26340 1 35 32 GLU . 26340 1 36 33 ALA . 26340 1 37 34 LEU . 26340 1 38 35 VAL . 26340 1 39 36 GLU . 26340 1 40 37 GLU . 26340 1 41 38 CYS . 26340 1 42 39 ASN . 26340 1 43 40 ARG . 26340 1 44 41 ALA . 26340 1 45 42 GLU . 26340 1 46 43 CYS . 26340 1 47 44 LEU . 26340 1 48 45 GLN . 26340 1 49 46 ARG . 26340 1 50 47 GLY . 26340 1 51 48 VAL . 26340 1 52 49 SER . 26340 1 53 50 PRO . 26340 1 54 51 SER . 26340 1 55 52 LYS . 26340 1 56 53 ALA . 26340 1 57 54 HIS . 26340 1 58 55 GLY . 26340 1 59 56 LEU . 26340 1 60 57 GLY . 26340 1 61 58 SER . 26340 1 62 59 ASN . 26340 1 63 60 LEU . 26340 1 64 61 VAL . 26340 1 65 62 THR . 26340 1 66 63 GLU . 26340 1 67 64 VAL . 26340 1 68 65 ARG . 26340 1 69 66 VAL . 26340 1 70 67 TYR . 26340 1 71 68 ASN . 26340 1 72 69 TRP . 26340 1 73 70 PHE . 26340 1 74 71 ALA . 26340 1 75 72 ASN . 26340 1 76 73 ARG . 26340 1 77 74 ARG . 26340 1 78 75 LYS . 26340 1 79 76 GLU . 26340 1 80 77 GLU . 26340 1 81 78 ALA . 26340 1 82 79 PHE . 26340 1 83 80 ARG . 26340 1 84 81 GLN . 26340 1 85 82 LYS . 26340 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26340 1 . PRO 2 2 26340 1 . GLY 3 3 26340 1 . MET 4 4 26340 1 . ARG 5 5 26340 1 . ARG 6 6 26340 1 . ASN 7 7 26340 1 . ARG 8 8 26340 1 . PHE 9 9 26340 1 . LYS 10 10 26340 1 . TRP 11 11 26340 1 . GLY 12 12 26340 1 . PRO 13 13 26340 1 . ALA 14 14 26340 1 . SER 15 15 26340 1 . GLN 16 16 26340 1 . GLN 17 17 26340 1 . ILE 18 18 26340 1 . LEU 19 19 26340 1 . TYR 20 20 26340 1 . GLN 21 21 26340 1 . ALA 22 22 26340 1 . TYR 23 23 26340 1 . ASP 24 24 26340 1 . ARG 25 25 26340 1 . GLN 26 26 26340 1 . LYS 27 27 26340 1 . ASN 28 28 26340 1 . PRO 29 29 26340 1 . SER 30 30 26340 1 . LYS 31 31 26340 1 . GLU 32 32 26340 1 . GLU 33 33 26340 1 . ARG 34 34 26340 1 . GLU 35 35 26340 1 . ALA 36 36 26340 1 . LEU 37 37 26340 1 . VAL 38 38 26340 1 . GLU 39 39 26340 1 . GLU 40 40 26340 1 . CYS 41 41 26340 1 . ASN 42 42 26340 1 . ARG 43 43 26340 1 . ALA 44 44 26340 1 . GLU 45 45 26340 1 . CYS 46 46 26340 1 . LEU 47 47 26340 1 . GLN 48 48 26340 1 . ARG 49 49 26340 1 . GLY 50 50 26340 1 . VAL 51 51 26340 1 . SER 52 52 26340 1 . PRO 53 53 26340 1 . SER 54 54 26340 1 . LYS 55 55 26340 1 . ALA 56 56 26340 1 . HIS 57 57 26340 1 . GLY 58 58 26340 1 . LEU 59 59 26340 1 . GLY 60 60 26340 1 . SER 61 61 26340 1 . ASN 62 62 26340 1 . LEU 63 63 26340 1 . VAL 64 64 26340 1 . THR 65 65 26340 1 . GLU 66 66 26340 1 . VAL 67 67 26340 1 . ARG 68 68 26340 1 . VAL 69 69 26340 1 . TYR 70 70 26340 1 . ASN 71 71 26340 1 . TRP 72 72 26340 1 . PHE 73 73 26340 1 . ALA 74 74 26340 1 . ASN 75 75 26340 1 . ARG 76 76 26340 1 . ARG 77 77 26340 1 . LYS 78 78 26340 1 . GLU 79 79 26340 1 . GLU 80 80 26340 1 . ALA 81 81 26340 1 . PHE 82 82 26340 1 . ARG 83 83 26340 1 . GLN 84 84 26340 1 . LYS 85 85 26340 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 26340 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26340 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 26340 _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' 'E. coli' . 562 Escherichia coli . . . plasmid . . pET15 . . . 26340 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26340 _Sample.ID 1 _Sample.Name '13C 15N sample' _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 'HNF1B POUhd' '[U-95% 13C; U-90% 15N]' 1 $assembly_1 1 $entity_1 . protein 500 . . uM . . . . 26340 1 2 'sodium chloride' 'natural abundance' . . . . . salt 137 . . mM . . . . 26340 1 3 'potassium chloride' 'natural abundance' . . . . . salt 2.7 . . mM . . . . 26340 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 26340 1 5 'potassium phosphate' 'natural abundance' . . . . . buffer 1.8 . . mM . . . . 26340 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 26340 1 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 26340 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 26340 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temp condition' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 26340 1 pressure 1 . atm 26340 1 temperature 298 . K 26340 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26340 _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 'data analysis' . 26340 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26340 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26340 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 26340 _Software.ID 3 _Software.Type . _Software.Name MagRO _Software.Version 2.01.41 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26340 3 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 26340 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 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 26340 _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 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26340 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26340 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26340 1 4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26340 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26340 1 6 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26340 1 7 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26340 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 26340 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . 26340 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 26340 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 26340 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Amide of POUhd' _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' 1 $sample_1 isotropic 26340 1 2 '3D HNCO' 1 $sample_1 isotropic 26340 1 3 '3D HN(CA)CO' 1 $sample_1 isotropic 26340 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26340 1 5 '3D HNCACB' 1 $sample_1 isotropic 26340 1 6 '3D HNCA' 1 $sample_1 isotropic 26340 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 26340 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 . . 26340 1 2 $software_2 . . 26340 1 3 $software_3 . . 26340 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 9 9 PHE H H 1 8.396 0.02 . 1 . . . . . 6 PHE H . 26340 1 2 . 1 . 1 9 9 PHE N N 15 123.704 0.15 . 1 . . . . . 6 PHE N . 26340 1 3 . 1 . 1 10 10 LYS H H 1 7.300 0.02 . 1 . . . . . 7 LYS H . 26340 1 4 . 1 . 1 10 10 LYS N N 15 127.216 0.15 . 1 . . . . . 7 LYS N . 26340 1 5 . 1 . 1 11 11 TRP H H 1 8.023 0.02 . 1 . . . . . 8 TRP H . 26340 1 6 . 1 . 1 11 11 TRP N N 15 124.248 0.15 . 1 . . . . . 8 TRP N . 26340 1 7 . 1 . 1 12 12 GLY H H 1 9.795 0.02 . 1 . . . . . 9 GLY H . 26340 1 8 . 1 . 1 12 12 GLY N N 15 115.202 0.15 . 1 . . . . . 9 GLY N . 26340 1 9 . 1 . 1 14 14 ALA H H 1 9.200 0.02 . 1 . . . . . 11 ALA H . 26340 1 10 . 1 . 1 14 14 ALA N N 15 122.425 0.15 . 1 . . . . . 11 ALA N . 26340 1 11 . 1 . 1 15 15 SER H H 1 7.990 0.02 . 1 . . . . . 12 SER H . 26340 1 12 . 1 . 1 15 15 SER N N 15 116.586 0.15 . 1 . . . . . 12 SER N . 26340 1 13 . 1 . 1 16 16 GLN H H 1 8.316 0.02 . 1 . . . . . 13 GLN H . 26340 1 14 . 1 . 1 16 16 GLN N N 15 119.073 0.15 . 1 . . . . . 13 GLN N . 26340 1 15 . 1 . 1 17 17 GLN H H 1 7.568 0.02 . 1 . . . . . 14 GLN H . 26340 1 16 . 1 . 1 17 17 GLN N N 15 116.229 0.15 . 1 . . . . . 14 GLN N . 26340 1 17 . 1 . 1 18 18 ILE H H 1 7.247 0.02 . 1 . . . . . 15 ILE H . 26340 1 18 . 1 . 1 18 18 ILE N N 15 120.571 0.15 . 1 . . . . . 15 ILE N . 26340 1 19 . 1 . 1 19 19 LEU H H 1 8.029 0.02 . 1 . . . . . 16 LEU H . 26340 1 20 . 1 . 1 19 19 LEU N N 15 121.225 0.15 . 1 . . . . . 16 LEU N . 26340 1 21 . 1 . 1 20 20 TYR H H 1 8.459 0.02 . 1 . . . . . 17 TYR H . 26340 1 22 . 1 . 1 20 20 TYR N N 15 117.784 0.15 . 1 . . . . . 17 TYR N . 26340 1 23 . 1 . 1 21 21 GLN H H 1 7.716 0.02 . 1 . . . . . 18 GLN H . 26340 1 24 . 1 . 1 21 21 GLN N N 15 117.596 0.15 . 1 . . . . . 18 GLN N . 26340 1 25 . 1 . 1 22 22 ALA H H 1 8.153 0.02 . 1 . . . . . 19 ALA H . 26340 1 26 . 1 . 1 22 22 ALA N N 15 122.824 0.15 . 1 . . . . . 19 ALA N . 26340 1 27 . 1 . 1 23 23 TYR H H 1 8.986 0.02 . 1 . . . . . 20 TYR H . 26340 1 28 . 1 . 1 23 23 TYR N N 15 121.335 0.15 . 1 . . . . . 20 TYR N . 26340 1 29 . 1 . 1 24 24 ASP H H 1 7.269 0.02 . 1 . . . . . 21 ASP H . 26340 1 30 . 1 . 1 24 24 ASP N N 15 114.118 0.15 . 1 . . . . . 21 ASP N . 26340 1 31 . 1 . 1 25 25 ARG H H 1 7.339 0.02 . 1 . . . . . 22 ARG H . 26340 1 32 . 1 . 1 25 25 ARG N N 15 116.686 0.15 . 1 . . . . . 22 ARG N . 26340 1 33 . 1 . 1 26 26 GLN H H 1 8.309 0.02 . 1 . . . . . 23 GLN H . 26340 1 34 . 1 . 1 26 26 GLN N N 15 121.673 0.15 . 1 . . . . . 23 GLN N . 26340 1 35 . 1 . 1 27 27 LYS H H 1 8.341 0.02 . 1 . . . . . 24 LYS H . 26340 1 36 . 1 . 1 27 27 LYS N N 15 124.930 0.15 . 1 . . . . . 24 LYS N . 26340 1 37 . 1 . 1 28 28 ASN H H 1 8.840 0.02 . 1 . . . . . 25 ASN H . 26340 1 38 . 1 . 1 28 28 ASN N N 15 115.711 0.15 . 1 . . . . . 25 ASN N . 26340 1 39 . 1 . 1 30 30 SER H H 1 9.349 0.02 . 1 . . . . . 27 SER H . 26340 1 40 . 1 . 1 30 30 SER N N 15 120.780 0.15 . 1 . . . . . 27 SER N . 26340 1 41 . 1 . 1 31 31 LYS H H 1 9.146 0.02 . 1 . . . . . 28 LYS H . 26340 1 42 . 1 . 1 31 31 LYS N N 15 123.018 0.15 . 1 . . . . . 28 LYS N . 26340 1 43 . 1 . 1 32 32 GLU H H 1 8.900 0.02 . 1 . . . . . 29 GLU H . 26340 1 44 . 1 . 1 32 32 GLU N N 15 117.636 0.15 . 1 . . . . . 29 GLU N . 26340 1 45 . 1 . 1 33 33 GLU H H 1 7.665 0.02 . 1 . . . . . 30 GLU H . 26340 1 46 . 1 . 1 33 33 GLU N N 15 121.099 0.15 . 1 . . . . . 30 GLU N . 26340 1 47 . 1 . 1 34 34 ARG H H 1 8.921 0.02 . 1 . . . . . 31 ARG H . 26340 1 48 . 1 . 1 34 34 ARG N N 15 119.458 0.15 . 1 . . . . . 31 ARG N . 26340 1 49 . 1 . 1 35 35 GLU H H 1 8.747 0.02 . 1 . . . . . 32 GLU H . 26340 1 50 . 1 . 1 35 35 GLU N N 15 119.055 0.15 . 1 . . . . . 32 GLU N . 26340 1 51 . 1 . 1 36 36 ALA H H 1 7.730 0.02 . 1 . . . . . 33 ALA H . 26340 1 52 . 1 . 1 36 36 ALA N N 15 122.900 0.15 . 1 . . . . . 33 ALA N . 26340 1 53 . 1 . 1 37 37 LEU H H 1 7.736 0.02 . 1 . . . . . 34 LEU H . 26340 1 54 . 1 . 1 37 37 LEU N N 15 119.778 0.15 . 1 . . . . . 34 LEU N . 26340 1 55 . 1 . 1 38 38 VAL H H 1 8.440 0.02 . 1 . . . . . 35 VAL H . 26340 1 56 . 1 . 1 38 38 VAL N N 15 121.498 0.15 . 1 . . . . . 35 VAL N . 26340 1 57 . 1 . 1 39 39 GLU H H 1 7.252 0.02 . 1 . . . . . 36 GLU H . 26340 1 58 . 1 . 1 39 39 GLU N N 15 116.631 0.15 . 1 . . . . . 36 GLU N . 26340 1 59 . 1 . 1 40 40 GLU H H 1 8.099 0.02 . 1 . . . . . 37 GLU H . 26340 1 60 . 1 . 1 40 40 GLU N N 15 119.577 0.15 . 1 . . . . . 37 GLU N . 26340 1 61 . 1 . 1 41 41 CYS H H 1 8.951 0.02 . 1 . . . . . 38 CYS H . 26340 1 62 . 1 . 1 41 41 CYS N N 15 118.183 0.15 . 1 . . . . . 38 CYS N . 26340 1 63 . 1 . 1 42 42 ASN H H 1 8.540 0.02 . 1 . . . . . 39 ASN H . 26340 1 64 . 1 . 1 42 42 ASN N N 15 117.023 0.15 . 1 . . . . . 39 ASN N . 26340 1 65 . 1 . 1 43 43 ARG H H 1 8.302 0.02 . 1 . . . . . 40 ARG H . 26340 1 66 . 1 . 1 43 43 ARG N N 15 121.003 0.15 . 1 . . . . . 40 ARG N . 26340 1 67 . 1 . 1 44 44 ALA H H 1 7.923 0.02 . 1 . . . . . 41 ALA H . 26340 1 68 . 1 . 1 44 44 ALA N N 15 121.561 0.15 . 1 . . . . . 41 ALA N . 26340 1 69 . 1 . 1 45 45 GLU H H 1 8.722 0.02 . 1 . . . . . 42 GLU H . 26340 1 70 . 1 . 1 45 45 GLU N N 15 117.613 0.15 . 1 . . . . . 42 GLU N . 26340 1 71 . 1 . 1 46 46 CYS H H 1 8.287 0.02 . 1 . . . . . 43 CYS H . 26340 1 72 . 1 . 1 46 46 CYS N N 15 118.346 0.15 . 1 . . . . . 43 CYS N . 26340 1 73 . 1 . 1 47 47 LEU H H 1 8.189 0.02 . 1 . . . . . 44 LEU H . 26340 1 74 . 1 . 1 47 47 LEU N N 15 120.400 0.15 . 1 . . . . . 44 LEU N . 26340 1 75 . 1 . 1 48 48 GLN H H 1 7.932 0.02 . 1 . . . . . 45 GLN H . 26340 1 76 . 1 . 1 48 48 GLN N N 15 118.163 0.15 . 1 . . . . . 45 GLN N . 26340 1 77 . 1 . 1 49 49 ARG H H 1 7.634 0.02 . 1 . . . . . 46 ARG H . 26340 1 78 . 1 . 1 49 49 ARG N N 15 116.466 0.15 . 1 . . . . . 46 ARG N . 26340 1 79 . 1 . 1 50 50 GLY H H 1 7.945 0.02 . 1 . . . . . 47 GLY H . 26340 1 80 . 1 . 1 50 50 GLY N N 15 108.888 0.15 . 1 . . . . . 47 GLY N . 26340 1 81 . 1 . 1 51 51 VAL H H 1 7.947 0.02 . 1 . . . . . 48 VAL H . 26340 1 82 . 1 . 1 51 51 VAL N N 15 118.352 0.15 . 1 . . . . . 48 VAL N . 26340 1 83 . 1 . 1 52 52 SER H H 1 8.502 0.02 . 1 . . . . . 49 SER H . 26340 1 84 . 1 . 1 52 52 SER N N 15 120.394 0.15 . 1 . . . . . 49 SER N . 26340 1 85 . 1 . 1 55 55 LYS H H 1 8.116 0.02 . 1 . . . . . 52 LYS H . 26340 1 86 . 1 . 1 55 55 LYS N N 15 123.234 0.15 . 1 . . . . . 52 LYS N . 26340 1 87 . 1 . 1 56 56 ALA H H 1 7.879 0.02 . 1 . . . . . 53 ALA H . 26340 1 88 . 1 . 1 56 56 ALA N N 15 123.899 0.15 . 1 . . . . . 53 ALA N . 26340 1 89 . 1 . 1 57 57 HIS H H 1 8.053 0.02 . 1 . . . . . 54 HIS H . 26340 1 90 . 1 . 1 57 57 HIS N N 15 115.587 0.15 . 1 . . . . . 54 HIS N . 26340 1 91 . 1 . 1 58 58 GLY H H 1 8.107 0.02 . 1 . . . . . 55 GLY H . 26340 1 92 . 1 . 1 58 58 GLY N N 15 109.258 0.15 . 1 . . . . . 55 GLY N . 26340 1 93 . 1 . 1 59 59 LEU H H 1 8.272 0.02 . 1 . . . . . 56 LEU H . 26340 1 94 . 1 . 1 59 59 LEU N N 15 120.530 0.15 . 1 . . . . . 56 LEU N . 26340 1 95 . 1 . 1 60 60 GLY H H 1 8.179 0.02 . 1 . . . . . 57 GLY H . 26340 1 96 . 1 . 1 60 60 GLY N N 15 108.955 0.15 . 1 . . . . . 57 GLY N . 26340 1 97 . 1 . 1 62 62 ASN H H 1 8.088 0.02 . 1 . . . . . 59 ASN H . 26340 1 98 . 1 . 1 62 62 ASN N N 15 118.081 0.15 . 1 . . . . . 59 ASN N . 26340 1 99 . 1 . 1 63 63 LEU H H 1 7.293 0.02 . 1 . . . . . 60 LEU H . 26340 1 100 . 1 . 1 63 63 LEU N N 15 120.947 0.15 . 1 . . . . . 60 LEU N . 26340 1 101 . 1 . 1 64 64 VAL H H 1 9.521 0.02 . 1 . . . . . 61 VAL H . 26340 1 102 . 1 . 1 64 64 VAL N N 15 127.917 0.15 . 1 . . . . . 61 VAL N . 26340 1 103 . 1 . 1 65 65 THR H H 1 6.255 0.02 . 1 . . . . . 62 THR H . 26340 1 104 . 1 . 1 65 65 THR N N 15 113.379 0.15 . 1 . . . . . 62 THR N . 26340 1 105 . 1 . 1 66 66 GLU H H 1 9.346 0.02 . 1 . . . . . 63 GLU H . 26340 1 106 . 1 . 1 66 66 GLU N N 15 124.574 0.15 . 1 . . . . . 63 GLU N . 26340 1 107 . 1 . 1 67 67 VAL H H 1 8.117 0.02 . 1 . . . . . 64 VAL H . 26340 1 108 . 1 . 1 67 67 VAL N N 15 119.089 0.15 . 1 . . . . . 64 VAL N . 26340 1 109 . 1 . 1 68 68 ARG H H 1 7.237 0.02 . 1 . . . . . 65 ARG H . 26340 1 110 . 1 . 1 68 68 ARG N N 15 119.602 0.15 . 1 . . . . . 65 ARG N . 26340 1 111 . 1 . 1 69 69 VAL H H 1 8.135 0.02 . 1 . . . . . 66 VAL H . 26340 1 112 . 1 . 1 69 69 VAL N N 15 120.771 0.15 . 1 . . . . . 66 VAL N . 26340 1 113 . 1 . 1 70 70 TYR H H 1 9.411 0.02 . 1 . . . . . 67 TYR H . 26340 1 114 . 1 . 1 70 70 TYR N N 15 121.173 0.15 . 1 . . . . . 67 TYR N . 26340 1 115 . 1 . 1 71 71 ASN H H 1 8.810 0.02 . 1 . . . . . 68 ASN H . 26340 1 116 . 1 . 1 71 71 ASN N N 15 118.109 0.15 . 1 . . . . . 68 ASN N . 26340 1 117 . 1 . 1 72 72 TRP H H 1 8.642 0.02 . 1 . . . . . 69 TRP H . 26340 1 118 . 1 . 1 72 72 TRP N N 15 123.953 0.15 . 1 . . . . . 69 TRP N . 26340 1 119 . 1 . 1 73 73 PHE H H 1 8.550 0.02 . 1 . . . . . 70 PHE H . 26340 1 120 . 1 . 1 73 73 PHE N N 15 118.341 0.15 . 1 . . . . . 70 PHE N . 26340 1 121 . 1 . 1 74 74 ALA H H 1 8.293 0.02 . 1 . . . . . 71 ALA H . 26340 1 122 . 1 . 1 74 74 ALA N N 15 120.978 0.15 . 1 . . . . . 71 ALA N . 26340 1 123 . 1 . 1 75 75 ASN H H 1 8.288 0.02 . 1 . . . . . 72 ASN H . 26340 1 124 . 1 . 1 75 75 ASN N N 15 117.239 0.15 . 1 . . . . . 72 ASN N . 26340 1 125 . 1 . 1 76 76 ARG H H 1 7.616 0.02 . 1 . . . . . 73 ARG H . 26340 1 126 . 1 . 1 76 76 ARG N N 15 121.846 0.15 . 1 . . . . . 73 ARG N . 26340 1 127 . 1 . 1 77 77 ARG H H 1 8.233 0.02 . 1 . . . . . 74 ARG H . 26340 1 128 . 1 . 1 77 77 ARG N N 15 117.717 0.15 . 1 . . . . . 74 ARG N . 26340 1 129 . 1 . 1 78 78 LYS H H 1 7.653 0.02 . 1 . . . . . 75 LYS H . 26340 1 130 . 1 . 1 78 78 LYS N N 15 120.155 0.15 . 1 . . . . . 75 LYS N . 26340 1 131 . 1 . 1 79 79 GLU H H 1 7.883 0.02 . 1 . . . . . 76 GLU H . 26340 1 132 . 1 . 1 79 79 GLU N N 15 118.910 0.15 . 1 . . . . . 76 GLU N . 26340 1 133 . 1 . 1 80 80 GLU H H 1 7.872 0.02 . 1 . . . . . 77 GLU H . 26340 1 134 . 1 . 1 80 80 GLU N N 15 118.496 0.15 . 1 . . . . . 77 GLU N . 26340 1 135 . 1 . 1 81 81 ALA H H 1 7.717 0.02 . 1 . . . . . 78 ALA H . 26340 1 136 . 1 . 1 81 81 ALA N N 15 121.203 0.15 . 1 . . . . . 78 ALA N . 26340 1 137 . 1 . 1 82 82 PHE H H 1 7.820 0.02 . 1 . . . . . 79 PHE H . 26340 1 138 . 1 . 1 82 82 PHE N N 15 117.506 0.15 . 1 . . . . . 79 PHE N . 26340 1 139 . 1 . 1 83 83 ARG H H 1 7.737 0.02 . 1 . . . . . 80 ARG H . 26340 1 140 . 1 . 1 83 83 ARG N N 15 120.758 0.15 . 1 . . . . . 80 ARG N . 26340 1 141 . 1 . 1 84 84 GLN H H 1 8.109 0.02 . 1 . . . . . 81 GLN H . 26340 1 142 . 1 . 1 84 84 GLN N N 15 121.362 0.15 . 1 . . . . . 81 GLN N . 26340 1 143 . 1 . 1 85 85 LYS H H 1 7.911 0.02 . 1 . . . . . 82 LYS H . 26340 1 144 . 1 . 1 85 85 LYS N N 15 128.066 0.15 . 1 . . . . . 82 LYS N . 26340 1 stop_ save_