data_26339 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26339 _Entry.Title ; Backbone resonance assignments of HNF1B POUs ; _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 . . . . 26339 2 Takahisa Ikegami . . . . 26339 3 Tsuyoshi Konuma . . . . 26339 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26339 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 103 26339 '1H chemical shifts' 103 26339 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 . 26339 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26340 'Backbone resonance assignments of HNF1B POUhd' 26339 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26339 _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. . . . 26339 1 2 Eri Imagawa E. . . . 26339 1 3 Daishi Hirano D. . . . 26339 1 4 Takahisa Ikegami T. . . . 26339 1 5 Kimihiko Oishi K. . . . 26339 1 6 Tsuyoshi Konuma T. . . . 26339 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26339 _Assembly.ID 1 _Assembly.Name 'HNF1B POUs' _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 POUs' 1 $entity_1 . . yes native no no . . . 26339 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26339 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HNF1B POUs' _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 ; GPGGDDYDTPPILKELQALN TEEAAEQRAEVDRMLSEDPW RAAKMIKGYMQQHNIPQREV VDVTGLNQSHLSQHLNKGTP MKTQKRAALYTWYVRKQREI LRQFNQTVQSSGN ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 26339 1 2 -1 PRO . 26339 1 3 0 GLY . 26339 1 4 1 GLY . 26339 1 5 2 ASP . 26339 1 6 3 ASP . 26339 1 7 4 TYR . 26339 1 8 5 ASP . 26339 1 9 6 THR . 26339 1 10 7 PRO . 26339 1 11 8 PRO . 26339 1 12 9 ILE . 26339 1 13 10 LEU . 26339 1 14 11 LYS . 26339 1 15 12 GLU . 26339 1 16 13 LEU . 26339 1 17 14 GLN . 26339 1 18 15 ALA . 26339 1 19 16 LEU . 26339 1 20 17 ASN . 26339 1 21 18 THR . 26339 1 22 19 GLU . 26339 1 23 20 GLU . 26339 1 24 21 ALA . 26339 1 25 22 ALA . 26339 1 26 23 GLU . 26339 1 27 24 GLN . 26339 1 28 25 ARG . 26339 1 29 26 ALA . 26339 1 30 27 GLU . 26339 1 31 28 VAL . 26339 1 32 29 ASP . 26339 1 33 30 ARG . 26339 1 34 31 MET . 26339 1 35 32 LEU . 26339 1 36 33 SER . 26339 1 37 34 GLU . 26339 1 38 35 ASP . 26339 1 39 36 PRO . 26339 1 40 37 TRP . 26339 1 41 38 ARG . 26339 1 42 39 ALA . 26339 1 43 40 ALA . 26339 1 44 41 LYS . 26339 1 45 42 MET . 26339 1 46 43 ILE . 26339 1 47 44 LYS . 26339 1 48 45 GLY . 26339 1 49 46 TYR . 26339 1 50 47 MET . 26339 1 51 48 GLN . 26339 1 52 49 GLN . 26339 1 53 50 HIS . 26339 1 54 51 ASN . 26339 1 55 52 ILE . 26339 1 56 53 PRO . 26339 1 57 54 GLN . 26339 1 58 55 ARG . 26339 1 59 56 GLU . 26339 1 60 57 VAL . 26339 1 61 58 VAL . 26339 1 62 59 ASP . 26339 1 63 60 VAL . 26339 1 64 61 THR . 26339 1 65 62 GLY . 26339 1 66 63 LEU . 26339 1 67 64 ASN . 26339 1 68 65 GLN . 26339 1 69 66 SER . 26339 1 70 67 HIS . 26339 1 71 68 LEU . 26339 1 72 69 SER . 26339 1 73 70 GLN . 26339 1 74 71 HIS . 26339 1 75 72 LEU . 26339 1 76 73 ASN . 26339 1 77 74 LYS . 26339 1 78 75 GLY . 26339 1 79 76 THR . 26339 1 80 77 PRO . 26339 1 81 78 MET . 26339 1 82 79 LYS . 26339 1 83 80 THR . 26339 1 84 81 GLN . 26339 1 85 82 LYS . 26339 1 86 83 ARG . 26339 1 87 84 ALA . 26339 1 88 85 ALA . 26339 1 89 86 LEU . 26339 1 90 87 TYR . 26339 1 91 88 THR . 26339 1 92 89 TRP . 26339 1 93 90 TYR . 26339 1 94 91 VAL . 26339 1 95 92 ARG . 26339 1 96 93 LYS . 26339 1 97 94 GLN . 26339 1 98 95 ARG . 26339 1 99 96 GLU . 26339 1 100 97 ILE . 26339 1 101 98 LEU . 26339 1 102 99 ARG . 26339 1 103 100 GLN . 26339 1 104 101 PHE . 26339 1 105 102 ASN . 26339 1 106 103 GLN . 26339 1 107 104 THR . 26339 1 108 105 VAL . 26339 1 109 106 GLN . 26339 1 110 107 SER . 26339 1 111 108 SER . 26339 1 112 109 GLY . 26339 1 113 110 ASN . 26339 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 26339 1 . PRO 2 2 26339 1 . GLY 3 3 26339 1 . GLY 4 4 26339 1 . ASP 5 5 26339 1 . ASP 6 6 26339 1 . TYR 7 7 26339 1 . ASP 8 8 26339 1 . THR 9 9 26339 1 . PRO 10 10 26339 1 . PRO 11 11 26339 1 . ILE 12 12 26339 1 . LEU 13 13 26339 1 . LYS 14 14 26339 1 . GLU 15 15 26339 1 . LEU 16 16 26339 1 . GLN 17 17 26339 1 . ALA 18 18 26339 1 . LEU 19 19 26339 1 . ASN 20 20 26339 1 . THR 21 21 26339 1 . GLU 22 22 26339 1 . GLU 23 23 26339 1 . ALA 24 24 26339 1 . ALA 25 25 26339 1 . GLU 26 26 26339 1 . GLN 27 27 26339 1 . ARG 28 28 26339 1 . ALA 29 29 26339 1 . GLU 30 30 26339 1 . VAL 31 31 26339 1 . ASP 32 32 26339 1 . ARG 33 33 26339 1 . MET 34 34 26339 1 . LEU 35 35 26339 1 . SER 36 36 26339 1 . GLU 37 37 26339 1 . ASP 38 38 26339 1 . PRO 39 39 26339 1 . TRP 40 40 26339 1 . ARG 41 41 26339 1 . ALA 42 42 26339 1 . ALA 43 43 26339 1 . LYS 44 44 26339 1 . MET 45 45 26339 1 . ILE 46 46 26339 1 . LYS 47 47 26339 1 . GLY 48 48 26339 1 . TYR 49 49 26339 1 . MET 50 50 26339 1 . GLN 51 51 26339 1 . GLN 52 52 26339 1 . HIS 53 53 26339 1 . ASN 54 54 26339 1 . ILE 55 55 26339 1 . PRO 56 56 26339 1 . GLN 57 57 26339 1 . ARG 58 58 26339 1 . GLU 59 59 26339 1 . VAL 60 60 26339 1 . VAL 61 61 26339 1 . ASP 62 62 26339 1 . VAL 63 63 26339 1 . THR 64 64 26339 1 . GLY 65 65 26339 1 . LEU 66 66 26339 1 . ASN 67 67 26339 1 . GLN 68 68 26339 1 . SER 69 69 26339 1 . HIS 70 70 26339 1 . LEU 71 71 26339 1 . SER 72 72 26339 1 . GLN 73 73 26339 1 . HIS 74 74 26339 1 . LEU 75 75 26339 1 . ASN 76 76 26339 1 . LYS 77 77 26339 1 . GLY 78 78 26339 1 . THR 79 79 26339 1 . PRO 80 80 26339 1 . MET 81 81 26339 1 . LYS 82 82 26339 1 . THR 83 83 26339 1 . GLN 84 84 26339 1 . LYS 85 85 26339 1 . ARG 86 86 26339 1 . ALA 87 87 26339 1 . ALA 88 88 26339 1 . LEU 89 89 26339 1 . TYR 90 90 26339 1 . THR 91 91 26339 1 . TRP 92 92 26339 1 . TYR 93 93 26339 1 . VAL 94 94 26339 1 . ARG 95 95 26339 1 . LYS 96 96 26339 1 . GLN 97 97 26339 1 . ARG 98 98 26339 1 . GLU 99 99 26339 1 . ILE 100 100 26339 1 . LEU 101 101 26339 1 . ARG 102 102 26339 1 . GLN 103 103 26339 1 . PHE 104 104 26339 1 . ASN 105 105 26339 1 . GLN 106 106 26339 1 . THR 107 107 26339 1 . VAL 108 108 26339 1 . GLN 109 109 26339 1 . SER 110 110 26339 1 . SER 111 111 26339 1 . GLY 112 112 26339 1 . ASN 113 113 26339 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 26339 _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 . . . . . . . . . . . . . 26339 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 26339 _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 . . . 26339 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26339 _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 POUs' '[U-95% 13C; U-90% 15N]' 1 $assembly_1 1 $entity_1 . protein 510 . . uM . . . . 26339 1 2 'sodium chloride' 'natural abundance' . . . . . salt 137 . . mM . . . . 26339 1 3 'potassium chloride' 'natural abundance' . . . . . salt 2.7 . . mM . . . . 26339 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 26339 1 5 'potassium phosphate' 'natural abundance' . . . . . buffer 1.8 . . mM . . . . 26339 1 6 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 26339 1 7 D2O [U-2H] . . . . . solvent 5 . . % . . . . 26339 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 26339 _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 26339 1 pressure 1 . atm 26339 1 temperature 298 . K 26339 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26339 _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' . 26339 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26339 _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' . 26339 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 26339 _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' . 26339 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 26339 _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 26339 _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 '1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26339 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26339 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26339 1 4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26339 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26339 1 6 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26339 1 7 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26339 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 26339 _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 . . . . . 26339 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 26339 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 26339 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Amide of POUs' _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 '1H-15N HSQC' 1 $sample_1 isotropic 26339 1 2 '3D HNCO' 1 $sample_1 isotropic 26339 1 3 '3D HN(CA)CO' 1 $sample_1 isotropic 26339 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26339 1 5 '3D HNCACB' 1 $sample_1 isotropic 26339 1 6 '3D HNCA' 1 $sample_1 isotropic 26339 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 26339 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 . . 26339 1 2 $software_2 . . 26339 1 3 $software_3 . . 26339 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 4 4 GLY H H 1 8.238 0.02 . 1 . . . . . 1 GLY H . 26339 1 2 . 1 . 1 4 4 GLY N N 15 108.882 0.15 . 1 . . . . . 1 GLY N . 26339 1 3 . 1 . 1 5 5 ASP H H 1 8.313 0.02 . 1 . . . . . 2 ASP H . 26339 1 4 . 1 . 1 5 5 ASP N N 15 120.545 0.15 . 1 . . . . . 2 ASP N . 26339 1 5 . 1 . 1 6 6 ASP H H 1 8.302 0.02 . 1 . . . . . 3 ASP H . 26339 1 6 . 1 . 1 6 6 ASP N N 15 120.264 0.15 . 1 . . . . . 3 ASP N . 26339 1 7 . 1 . 1 7 7 TYR H H 1 8.029 0.02 . 1 . . . . . 4 TYR H . 26339 1 8 . 1 . 1 7 7 TYR N N 15 120.009 0.15 . 1 . . . . . 4 TYR N . 26339 1 9 . 1 . 1 8 8 ASP H H 1 8.150 0.02 . 1 . . . . . 5 ASP H . 26339 1 10 . 1 . 1 8 8 ASP N N 15 122.454 0.15 . 1 . . . . . 5 ASP N . 26339 1 11 . 1 . 1 9 9 THR H H 1 8.048 0.02 . 1 . . . . . 6 THR H . 26339 1 12 . 1 . 1 9 9 THR N N 15 118.895 0.15 . 1 . . . . . 6 THR N . 26339 1 13 . 1 . 1 12 12 ILE H H 1 8.396 0.02 . 1 . . . . . 9 ILE H . 26339 1 14 . 1 . 1 12 12 ILE N N 15 115.800 0.15 . 1 . . . . . 9 ILE N . 26339 1 15 . 1 . 1 13 13 LEU H H 1 7.533 0.02 . 1 . . . . . 10 LEU H . 26339 1 16 . 1 . 1 13 13 LEU N N 15 122.605 0.15 . 1 . . . . . 10 LEU N . 26339 1 17 . 1 . 1 14 14 LYS H H 1 7.953 0.02 . 1 . . . . . 11 LYS H . 26339 1 18 . 1 . 1 14 14 LYS N N 15 121.593 0.15 . 1 . . . . . 11 LYS N . 26339 1 19 . 1 . 1 15 15 GLU H H 1 8.217 0.02 . 1 . . . . . 12 GLU H . 26339 1 20 . 1 . 1 15 15 GLU N N 15 118.678 0.15 . 1 . . . . . 12 GLU N . 26339 1 21 . 1 . 1 16 16 LEU H H 1 7.500 0.02 . 1 . . . . . 13 LEU H . 26339 1 22 . 1 . 1 16 16 LEU N N 15 119.845 0.15 . 1 . . . . . 13 LEU N . 26339 1 23 . 1 . 1 17 17 GLN H H 1 8.108 0.02 . 1 . . . . . 14 GLN H . 26339 1 24 . 1 . 1 17 17 GLN N N 15 117.712 0.15 . 1 . . . . . 14 GLN N . 26339 1 25 . 1 . 1 18 18 ALA H H 1 7.608 0.02 . 1 . . . . . 15 ALA H . 26339 1 26 . 1 . 1 18 18 ALA N N 15 120.587 0.15 . 1 . . . . . 15 ALA N . 26339 1 27 . 1 . 1 19 19 LEU H H 1 7.433 0.02 . 1 . . . . . 16 LEU H . 26339 1 28 . 1 . 1 19 19 LEU N N 15 119.669 0.15 . 1 . . . . . 16 LEU N . 26339 1 29 . 1 . 1 20 20 ASN H H 1 8.737 0.02 . 1 . . . . . 17 ASN H . 26339 1 30 . 1 . 1 20 20 ASN N N 15 121.067 0.15 . 1 . . . . . 17 ASN N . 26339 1 31 . 1 . 1 21 21 THR H H 1 7.359 0.02 . 1 . . . . . 18 THR H . 26339 1 32 . 1 . 1 21 21 THR N N 15 110.177 0.15 . 1 . . . . . 18 THR N . 26339 1 33 . 1 . 1 22 22 GLU H H 1 8.961 0.02 . 1 . . . . . 19 GLU H . 26339 1 34 . 1 . 1 22 22 GLU N N 15 123.602 0.15 . 1 . . . . . 19 GLU N . 26339 1 35 . 1 . 1 23 23 GLU H H 1 8.528 0.02 . 1 . . . . . 20 GLU H . 26339 1 36 . 1 . 1 23 23 GLU N N 15 120.055 0.15 . 1 . . . . . 20 GLU N . 26339 1 37 . 1 . 1 24 24 ALA H H 1 8.024 0.02 . 1 . . . . . 21 ALA H . 26339 1 38 . 1 . 1 24 24 ALA N N 15 122.202 0.15 . 1 . . . . . 21 ALA N . 26339 1 39 . 1 . 1 25 25 ALA H H 1 7.908 0.02 . 1 . . . . . 22 ALA H . 26339 1 40 . 1 . 1 25 25 ALA N N 15 120.828 0.15 . 1 . . . . . 22 ALA N . 26339 1 41 . 1 . 1 26 26 GLU H H 1 8.103 0.02 . 1 . . . . . 23 GLU H . 26339 1 42 . 1 . 1 26 26 GLU N N 15 120.031 0.15 . 1 . . . . . 23 GLU N . 26339 1 43 . 1 . 1 27 27 GLN H H 1 8.032 0.02 . 1 . . . . . 24 GLN H . 26339 1 44 . 1 . 1 27 27 GLN N N 15 119.656 0.15 . 1 . . . . . 24 GLN N . 26339 1 45 . 1 . 1 28 28 ARG H H 1 8.480 0.02 . 1 . . . . . 25 ARG H . 26339 1 46 . 1 . 1 28 28 ARG N N 15 118.515 0.15 . 1 . . . . . 25 ARG N . 26339 1 47 . 1 . 1 29 29 ALA H H 1 7.872 0.02 . 1 . . . . . 26 ALA H . 26339 1 48 . 1 . 1 29 29 ALA N N 15 120.699 0.15 . 1 . . . . . 26 ALA N . 26339 1 49 . 1 . 1 30 30 GLU H H 1 7.829 0.02 . 1 . . . . . 27 GLU H . 26339 1 50 . 1 . 1 30 30 GLU N N 15 120.727 0.15 . 1 . . . . . 27 GLU N . 26339 1 51 . 1 . 1 31 31 VAL H H 1 8.136 0.02 . 1 . . . . . 28 VAL H . 26339 1 52 . 1 . 1 31 31 VAL N N 15 121.462 0.15 . 1 . . . . . 28 VAL N . 26339 1 53 . 1 . 1 32 32 ASP H H 1 8.267 0.02 . 1 . . . . . 29 ASP H . 26339 1 54 . 1 . 1 32 32 ASP N N 15 118.967 0.15 . 1 . . . . . 29 ASP N . 26339 1 55 . 1 . 1 33 33 ARG H H 1 8.042 0.02 . 1 . . . . . 30 ARG H . 26339 1 56 . 1 . 1 33 33 ARG N N 15 120.952 0.15 . 1 . . . . . 30 ARG N . 26339 1 57 . 1 . 1 34 34 MET H H 1 8.199 0.02 . 1 . . . . . 31 MET H . 26339 1 58 . 1 . 1 34 34 MET N N 15 120.254 0.15 . 1 . . . . . 31 MET N . 26339 1 59 . 1 . 1 35 35 LEU H H 1 8.515 0.02 . 1 . . . . . 32 LEU H . 26339 1 60 . 1 . 1 35 35 LEU N N 15 118.709 0.15 . 1 . . . . . 32 LEU N . 26339 1 61 . 1 . 1 36 36 SER H H 1 7.607 0.02 . 1 . . . . . 33 SER H . 26339 1 62 . 1 . 1 36 36 SER N N 15 113.485 0.15 . 1 . . . . . 33 SER N . 26339 1 63 . 1 . 1 37 37 GLU H H 1 7.318 0.02 . 1 . . . . . 34 GLU H . 26339 1 64 . 1 . 1 37 37 GLU N N 15 122.906 0.15 . 1 . . . . . 34 GLU N . 26339 1 65 . 1 . 1 38 38 ASP H H 1 8.732 0.02 . 1 . . . . . 35 ASP H . 26339 1 66 . 1 . 1 38 38 ASP N N 15 122.925 0.15 . 1 . . . . . 35 ASP N . 26339 1 67 . 1 . 1 40 40 TRP H H 1 8.496 0.02 . 1 . . . . . 37 TRP H . 26339 1 68 . 1 . 1 40 40 TRP N N 15 121.230 0.15 . 1 . . . . . 37 TRP N . 26339 1 69 . 1 . 1 41 41 ARG H H 1 7.807 0.02 . 1 . . . . . 38 ARG H . 26339 1 70 . 1 . 1 41 41 ARG N N 15 120.188 0.15 . 1 . . . . . 38 ARG N . 26339 1 71 . 1 . 1 42 42 ALA H H 1 7.426 0.02 . 1 . . . . . 39 ALA H . 26339 1 72 . 1 . 1 42 42 ALA N N 15 120.166 0.15 . 1 . . . . . 39 ALA N . 26339 1 73 . 1 . 1 43 43 ALA H H 1 8.048 0.02 . 1 . . . . . 40 ALA H . 26339 1 74 . 1 . 1 43 43 ALA N N 15 120.572 0.15 . 1 . . . . . 40 ALA N . 26339 1 75 . 1 . 1 44 44 LYS H H 1 7.691 0.02 . 1 . . . . . 41 LYS H . 26339 1 76 . 1 . 1 44 44 LYS N N 15 116.219 0.15 . 1 . . . . . 41 LYS N . 26339 1 77 . 1 . 1 45 45 MET H H 1 7.548 0.02 . 1 . . . . . 42 MET H . 26339 1 78 . 1 . 1 45 45 MET N N 15 120.361 0.15 . 1 . . . . . 42 MET N . 26339 1 79 . 1 . 1 46 46 ILE H H 1 8.413 0.02 . 1 . . . . . 43 ILE H . 26339 1 80 . 1 . 1 46 46 ILE N N 15 122.244 0.15 . 1 . . . . . 43 ILE N . 26339 1 81 . 1 . 1 47 47 LYS H H 1 8.892 0.02 . 1 . . . . . 44 LYS H . 26339 1 82 . 1 . 1 47 47 LYS N N 15 121.040 0.15 . 1 . . . . . 44 LYS N . 26339 1 83 . 1 . 1 48 48 GLY H H 1 8.140 0.02 . 1 . . . . . 45 GLY H . 26339 1 84 . 1 . 1 48 48 GLY N N 15 105.600 0.15 . 1 . . . . . 45 GLY N . 26339 1 85 . 1 . 1 49 49 TYR H H 1 8.374 0.02 . 1 . . . . . 46 TYR H . 26339 1 86 . 1 . 1 49 49 TYR N N 15 125.840 0.15 . 1 . . . . . 46 TYR N . 26339 1 87 . 1 . 1 50 50 MET H H 1 8.930 0.02 . 1 . . . . . 47 MET H . 26339 1 88 . 1 . 1 50 50 MET N N 15 117.177 0.15 . 1 . . . . . 47 MET N . 26339 1 89 . 1 . 1 51 51 GLN H H 1 8.165 0.02 . 1 . . . . . 48 GLN H . 26339 1 90 . 1 . 1 51 51 GLN N N 15 117.429 0.15 . 1 . . . . . 48 GLN N . 26339 1 91 . 1 . 1 52 52 GLN H H 1 8.315 0.02 . 1 . . . . . 49 GLN H . 26339 1 92 . 1 . 1 52 52 GLN N N 15 120.154 0.15 . 1 . . . . . 49 GLN N . 26339 1 93 . 1 . 1 53 53 HIS H H 1 7.404 0.02 . 1 . . . . . 50 HIS H . 26339 1 94 . 1 . 1 53 53 HIS N N 15 113.152 0.15 . 1 . . . . . 50 HIS N . 26339 1 95 . 1 . 1 54 54 ASN H H 1 7.691 0.02 . 1 . . . . . 51 ASN H . 26339 1 96 . 1 . 1 54 54 ASN N N 15 118.939 0.15 . 1 . . . . . 51 ASN N . 26339 1 97 . 1 . 1 55 55 ILE H H 1 8.802 0.02 . 1 . . . . . 52 ILE H . 26339 1 98 . 1 . 1 55 55 ILE N N 15 120.946 0.15 . 1 . . . . . 52 ILE N . 26339 1 99 . 1 . 1 57 57 GLN H H 1 8.792 0.02 . 1 . . . . . 54 GLN H . 26339 1 100 . 1 . 1 57 57 GLN N N 15 122.285 0.15 . 1 . . . . . 54 GLN N . 26339 1 101 . 1 . 1 58 58 ARG H H 1 8.505 0.02 . 1 . . . . . 55 ARG H . 26339 1 102 . 1 . 1 58 58 ARG N N 15 116.438 0.15 . 1 . . . . . 55 ARG N . 26339 1 103 . 1 . 1 59 59 GLU H H 1 7.173 0.02 . 1 . . . . . 56 GLU H . 26339 1 104 . 1 . 1 59 59 GLU N N 15 117.866 0.15 . 1 . . . . . 56 GLU N . 26339 1 105 . 1 . 1 60 60 VAL H H 1 6.548 0.02 . 1 . . . . . 57 VAL H . 26339 1 106 . 1 . 1 60 60 VAL N N 15 115.887 0.15 . 1 . . . . . 57 VAL N . 26339 1 107 . 1 . 1 61 61 VAL H H 1 7.825 0.02 . 1 . . . . . 58 VAL H . 26339 1 108 . 1 . 1 61 61 VAL N N 15 123.665 0.15 . 1 . . . . . 58 VAL N . 26339 1 109 . 1 . 1 62 62 ASP H H 1 8.294 0.02 . 1 . . . . . 59 ASP H . 26339 1 110 . 1 . 1 62 62 ASP N N 15 119.734 0.15 . 1 . . . . . 59 ASP N . 26339 1 111 . 1 . 1 63 63 VAL H H 1 7.501 0.02 . 1 . . . . . 60 VAL H . 26339 1 112 . 1 . 1 63 63 VAL N N 15 114.183 0.15 . 1 . . . . . 60 VAL N . 26339 1 113 . 1 . 1 64 64 THR H H 1 7.888 0.02 . 1 . . . . . 61 THR H . 26339 1 114 . 1 . 1 64 64 THR N N 15 106.716 0.15 . 1 . . . . . 61 THR N . 26339 1 115 . 1 . 1 65 65 GLY H H 1 8.310 0.02 . 1 . . . . . 62 GLY H . 26339 1 116 . 1 . 1 65 65 GLY N N 15 110.710 0.15 . 1 . . . . . 62 GLY N . 26339 1 117 . 1 . 1 66 66 LEU H H 1 7.518 0.02 . 1 . . . . . 63 LEU H . 26339 1 118 . 1 . 1 66 66 LEU N N 15 120.540 0.15 . 1 . . . . . 63 LEU N . 26339 1 119 . 1 . 1 67 67 ASN H H 1 8.534 0.02 . 1 . . . . . 64 ASN H . 26339 1 120 . 1 . 1 67 67 ASN N N 15 119.138 0.15 . 1 . . . . . 64 ASN N . 26339 1 121 . 1 . 1 68 68 GLN H H 1 9.080 0.02 . 1 . . . . . 65 GLN H . 26339 1 122 . 1 . 1 68 68 GLN N N 15 126.271 0.15 . 1 . . . . . 65 GLN N . 26339 1 123 . 1 . 1 69 69 SER H H 1 8.178 0.02 . 1 . . . . . 66 SER H . 26339 1 124 . 1 . 1 69 69 SER N N 15 115.500 0.15 . 1 . . . . . 66 SER N . 26339 1 125 . 1 . 1 70 70 HIS H H 1 8.088 0.02 . 1 . . . . . 67 HIS H . 26339 1 126 . 1 . 1 70 70 HIS N N 15 122.255 0.15 . 1 . . . . . 67 HIS N . 26339 1 127 . 1 . 1 71 71 LEU H H 1 8.541 0.02 . 1 . . . . . 68 LEU H . 26339 1 128 . 1 . 1 71 71 LEU N N 15 118.883 0.15 . 1 . . . . . 68 LEU N . 26339 1 129 . 1 . 1 72 72 SER H H 1 8.391 0.02 . 1 . . . . . 69 SER H . 26339 1 130 . 1 . 1 72 72 SER N N 15 113.161 0.15 . 1 . . . . . 69 SER N . 26339 1 131 . 1 . 1 73 73 GLN H H 1 8.219 0.02 . 1 . . . . . 70 GLN H . 26339 1 132 . 1 . 1 73 73 GLN N N 15 119.533 0.15 . 1 . . . . . 70 GLN N . 26339 1 133 . 1 . 1 74 74 HIS H H 1 8.442 0.02 . 1 . . . . . 71 HIS H . 26339 1 134 . 1 . 1 74 74 HIS N N 15 121.254 0.15 . 1 . . . . . 71 HIS N . 26339 1 135 . 1 . 1 75 75 LEU H H 1 8.389 0.02 . 1 . . . . . 72 LEU H . 26339 1 136 . 1 . 1 75 75 LEU N N 15 113.728 0.15 . 1 . . . . . 72 LEU N . 26339 1 137 . 1 . 1 76 76 ASN H H 1 8.385 0.02 . 1 . . . . . 73 ASN H . 26339 1 138 . 1 . 1 76 76 ASN N N 15 111.603 0.15 . 1 . . . . . 73 ASN N . 26339 1 139 . 1 . 1 77 77 LYS H H 1 8.234 0.02 . 1 . . . . . 74 LYS H . 26339 1 140 . 1 . 1 77 77 LYS N N 15 116.225 0.15 . 1 . . . . . 74 LYS N . 26339 1 141 . 1 . 1 78 78 GLY H H 1 7.788 0.02 . 1 . . . . . 75 GLY H . 26339 1 142 . 1 . 1 78 78 GLY N N 15 110.181 0.15 . 1 . . . . . 75 GLY N . 26339 1 143 . 1 . 1 79 79 THR H H 1 7.288 0.02 . 1 . . . . . 76 THR H . 26339 1 144 . 1 . 1 79 79 THR N N 15 117.834 0.15 . 1 . . . . . 76 THR N . 26339 1 145 . 1 . 1 81 81 MET H H 1 8.789 0.02 . 1 . . . . . 78 MET H . 26339 1 146 . 1 . 1 81 81 MET N N 15 122.101 0.15 . 1 . . . . . 78 MET N . 26339 1 147 . 1 . 1 82 82 LYS H H 1 8.772 0.02 . 1 . . . . . 79 LYS H . 26339 1 148 . 1 . 1 82 82 LYS N N 15 125.008 0.15 . 1 . . . . . 79 LYS N . 26339 1 149 . 1 . 1 84 84 GLN H H 1 9.163 0.02 . 1 . . . . . 81 GLN H . 26339 1 150 . 1 . 1 84 84 GLN N N 15 118.152 0.15 . 1 . . . . . 81 GLN N . 26339 1 151 . 1 . 1 85 85 LYS H H 1 6.958 0.02 . 1 . . . . . 82 LYS H . 26339 1 152 . 1 . 1 85 85 LYS N N 15 117.604 0.15 . 1 . . . . . 82 LYS N . 26339 1 153 . 1 . 1 86 86 ARG H H 1 7.821 0.02 . 1 . . . . . 83 ARG H . 26339 1 154 . 1 . 1 86 86 ARG N N 15 118.150 0.15 . 1 . . . . . 83 ARG N . 26339 1 155 . 1 . 1 87 87 ALA H H 1 8.717 0.02 . 1 . . . . . 84 ALA H . 26339 1 156 . 1 . 1 87 87 ALA N N 15 117.799 0.15 . 1 . . . . . 84 ALA N . 26339 1 157 . 1 . 1 88 88 ALA H H 1 7.465 0.02 . 1 . . . . . 85 ALA H . 26339 1 158 . 1 . 1 88 88 ALA N N 15 122.491 0.15 . 1 . . . . . 85 ALA N . 26339 1 159 . 1 . 1 89 89 LEU H H 1 7.519 0.02 . 1 . . . . . 86 LEU H . 26339 1 160 . 1 . 1 89 89 LEU N N 15 119.854 0.15 . 1 . . . . . 86 LEU N . 26339 1 161 . 1 . 1 90 90 TYR H H 1 9.180 0.02 . 1 . . . . . 87 TYR H . 26339 1 162 . 1 . 1 90 90 TYR N N 15 117.931 0.15 . 1 . . . . . 87 TYR N . 26339 1 163 . 1 . 1 91 91 THR H H 1 8.529 0.02 . 1 . . . . . 88 THR H . 26339 1 164 . 1 . 1 91 91 THR N N 15 117.962 0.15 . 1 . . . . . 88 THR N . 26339 1 165 . 1 . 1 92 92 TRP H H 1 8.014 0.02 . 1 . . . . . 89 TRP H . 26339 1 166 . 1 . 1 92 92 TRP N N 15 121.546 0.15 . 1 . . . . . 89 TRP N . 26339 1 167 . 1 . 1 93 93 TYR H H 1 8.228 0.02 . 1 . . . . . 90 TYR H . 26339 1 168 . 1 . 1 93 93 TYR N N 15 119.898 0.15 . 1 . . . . . 90 TYR N . 26339 1 169 . 1 . 1 94 94 VAL H H 1 8.730 0.02 . 1 . . . . . 91 VAL H . 26339 1 170 . 1 . 1 94 94 VAL N N 15 118.161 0.15 . 1 . . . . . 91 VAL N . 26339 1 171 . 1 . 1 95 95 ARG H H 1 7.639 0.02 . 1 . . . . . 92 ARG H . 26339 1 172 . 1 . 1 95 95 ARG N N 15 119.386 0.15 . 1 . . . . . 92 ARG N . 26339 1 173 . 1 . 1 96 96 LYS H H 1 8.185 0.02 . 1 . . . . . 93 LYS H . 26339 1 174 . 1 . 1 96 96 LYS N N 15 122.566 0.15 . 1 . . . . . 93 LYS N . 26339 1 175 . 1 . 1 97 97 GLN H H 1 7.727 0.02 . 1 . . . . . 94 GLN H . 26339 1 176 . 1 . 1 97 97 GLN N N 15 116.082 0.15 . 1 . . . . . 94 GLN N . 26339 1 177 . 1 . 1 98 98 ARG H H 1 7.093 0.02 . 1 . . . . . 95 ARG H . 26339 1 178 . 1 . 1 98 98 ARG N N 15 116.778 0.15 . 1 . . . . . 95 ARG N . 26339 1 179 . 1 . 1 99 99 GLU H H 1 7.726 0.02 . 1 . . . . . 96 GLU H . 26339 1 180 . 1 . 1 99 99 GLU N N 15 121.071 0.15 . 1 . . . . . 96 GLU N . 26339 1 181 . 1 . 1 100 100 ILE H H 1 8.109 0.02 . 1 . . . . . 97 ILE H . 26339 1 182 . 1 . 1 100 100 ILE N N 15 120.556 0.15 . 1 . . . . . 97 ILE N . 26339 1 183 . 1 . 1 101 101 LEU H H 1 7.794 0.02 . 1 . . . . . 98 LEU H . 26339 1 184 . 1 . 1 101 101 LEU N N 15 121.066 0.15 . 1 . . . . . 98 LEU N . 26339 1 185 . 1 . 1 102 102 ARG H H 1 7.818 0.02 . 1 . . . . . 99 ARG H . 26339 1 186 . 1 . 1 102 102 ARG N N 15 118.478 0.15 . 1 . . . . . 99 ARG N . 26339 1 187 . 1 . 1 103 103 GLN H H 1 7.884 0.02 . 1 . . . . . 100 GLN H . 26339 1 188 . 1 . 1 103 103 GLN N N 15 118.638 0.15 . 1 . . . . . 100 GLN N . 26339 1 189 . 1 . 1 104 104 PHE H H 1 8.097 0.02 . 1 . . . . . 101 PHE H . 26339 1 190 . 1 . 1 104 104 PHE N N 15 119.851 0.15 . 1 . . . . . 101 PHE N . 26339 1 191 . 1 . 1 105 105 ASN H H 1 8.266 0.02 . 1 . . . . . 102 ASN H . 26339 1 192 . 1 . 1 105 105 ASN N N 15 119.186 0.15 . 1 . . . . . 102 ASN N . 26339 1 193 . 1 . 1 106 106 GLN H H 1 8.163 0.02 . 1 . . . . . 103 GLN H . 26339 1 194 . 1 . 1 106 106 GLN N N 15 119.834 0.15 . 1 . . . . . 103 GLN N . 26339 1 195 . 1 . 1 107 107 THR H H 1 8.144 0.02 . 1 . . . . . 104 THR H . 26339 1 196 . 1 . 1 107 107 THR N N 15 115.247 0.15 . 1 . . . . . 104 THR N . 26339 1 197 . 1 . 1 108 108 VAL H H 1 8.100 0.02 . 1 . . . . . 105 VAL H . 26339 1 198 . 1 . 1 108 108 VAL N N 15 122.708 0.15 . 1 . . . . . 105 VAL N . 26339 1 199 . 1 . 1 109 109 GLN H H 1 8.440 0.02 . 1 . . . . . 106 GLN H . 26339 1 200 . 1 . 1 109 109 GLN N N 15 124.148 0.15 . 1 . . . . . 106 GLN N . 26339 1 201 . 1 . 1 110 110 SER H H 1 8.394 0.02 . 1 . . . . . 107 SER H . 26339 1 202 . 1 . 1 110 110 SER N N 15 117.421 0.15 . 1 . . . . . 107 SER N . 26339 1 203 . 1 . 1 112 112 GLY H H 1 8.391 0.02 . 1 . . . . . 109 GLY H . 26339 1 204 . 1 . 1 112 112 GLY N N 15 110.917 0.15 . 1 . . . . . 109 GLY N . 26339 1 205 . 1 . 1 113 113 ASN H H 1 7.977 0.02 . 1 . . . . . 110 ASN H . 26339 1 206 . 1 . 1 113 113 ASN N N 15 124.002 0.15 . 1 . . . . . 110 ASN N . 26339 1 stop_ save_