data_52336 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52336 _Entry.Title ; Backbone 1H and 15N Chemical Shift Assignments for phosHP1amutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-02-20 _Entry.Accession_date 2024-02-20 _Entry.Last_release_date 2024-02-21 _Entry.Original_release_date 2024-02-21 _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 1 _Entry.Generated_software_label $software_1 _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 Ayako Furukawa . . . 0000-0002-7339-4632 52336 2 Yoshifumi Nishimura . . . . 52336 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52336 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 104 52336 '1H chemical shifts' 104 52336 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 . . 2026-04-14 . original BMRB . 52336 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52336 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40138713 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A dynamic structural unit of phase-separated heterochromatin protein 1a as revealed by integrative structural analyses ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 53 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 gkaf154 _Citation.Page_last gkaf154 _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 Ayako Furukawa A. . . . 52336 1 2 Kento Yonezawa K. . . . 52336 1 3 Tatsuki Negami T. . . . 52336 1 4 Yuriko Yoshimura Y. . . . 52336 1 5 Aki Hayashi A. . . . 52336 1 6 Jun-Ichi Nakayama J. I. . . 52336 1 7 Naruhiko Adachi N. . . . 52336 1 8 Toshiya Senda T. . . . 52336 1 9 Kentaro Shimizu K. . . . 52336 1 10 Tohru Terada T. . . . 52336 1 11 Nobutaka Shimizu N. . . . 52336 1 12 Yoshifumi Nishimura Y. . . . 52336 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52336 _Assembly.ID 1 _Assembly.Name pHP1aNCDhinge _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 pHP1aNCDhinge 1 $entity_1 . . yes native no no . . . 52336 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52336 _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 ; MGKKTKRTADSSSSEDEEEY VVEKVLDRRVVKGQVEYLLK WKGFSEEHNTWEPEKNLDCP ELISEFMKKYKKMKEGENNK PREKSESNKRKSNFSNSADD IKSKKKREQSNDIARGFERG ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 4 MET . 52336 1 2 5 GLY . 52336 1 3 6 LYS . 52336 1 4 7 LYS . 52336 1 5 8 THR . 52336 1 6 9 LYS . 52336 1 7 10 ARG . 52336 1 8 11 THR . 52336 1 9 12 ALA . 52336 1 10 13 ASP . 52336 1 11 14 SER . 52336 1 12 15 SER . 52336 1 13 16 SER . 52336 1 14 17 SER . 52336 1 15 18 GLU . 52336 1 16 19 ASP . 52336 1 17 20 GLU . 52336 1 18 21 GLU . 52336 1 19 22 GLU . 52336 1 20 23 TYR . 52336 1 21 24 VAL . 52336 1 22 25 VAL . 52336 1 23 26 GLU . 52336 1 24 27 LYS . 52336 1 25 28 VAL . 52336 1 26 29 LEU . 52336 1 27 30 ASP . 52336 1 28 31 ARG . 52336 1 29 32 ARG . 52336 1 30 33 VAL . 52336 1 31 34 VAL . 52336 1 32 35 LYS . 52336 1 33 36 GLY . 52336 1 34 37 GLN . 52336 1 35 38 VAL . 52336 1 36 39 GLU . 52336 1 37 40 TYR . 52336 1 38 41 LEU . 52336 1 39 42 LEU . 52336 1 40 43 LYS . 52336 1 41 44 TRP . 52336 1 42 45 LYS . 52336 1 43 46 GLY . 52336 1 44 47 PHE . 52336 1 45 48 SER . 52336 1 46 49 GLU . 52336 1 47 50 GLU . 52336 1 48 51 HIS . 52336 1 49 52 ASN . 52336 1 50 53 THR . 52336 1 51 54 TRP . 52336 1 52 55 GLU . 52336 1 53 56 PRO . 52336 1 54 57 GLU . 52336 1 55 58 LYS . 52336 1 56 59 ASN . 52336 1 57 60 LEU . 52336 1 58 61 ASP . 52336 1 59 62 CYS . 52336 1 60 63 PRO . 52336 1 61 64 GLU . 52336 1 62 65 LEU . 52336 1 63 66 ILE . 52336 1 64 67 SER . 52336 1 65 68 GLU . 52336 1 66 69 PHE . 52336 1 67 70 MET . 52336 1 68 71 LYS . 52336 1 69 72 LYS . 52336 1 70 73 TYR . 52336 1 71 74 LYS . 52336 1 72 75 LYS . 52336 1 73 76 MET . 52336 1 74 77 LYS . 52336 1 75 78 GLU . 52336 1 76 79 GLY . 52336 1 77 80 GLU . 52336 1 78 81 ASN . 52336 1 79 82 ASN . 52336 1 80 83 LYS . 52336 1 81 84 PRO . 52336 1 82 85 ARG . 52336 1 83 86 GLU . 52336 1 84 87 LYS . 52336 1 85 88 SER . 52336 1 86 89 GLU . 52336 1 87 90 SER . 52336 1 88 91 ASN . 52336 1 89 92 LYS . 52336 1 90 93 ARG . 52336 1 91 94 LYS . 52336 1 92 95 SER . 52336 1 93 96 ASN . 52336 1 94 97 PHE . 52336 1 95 98 SER . 52336 1 96 99 ASN . 52336 1 97 100 SER . 52336 1 98 101 ALA . 52336 1 99 102 ASP . 52336 1 100 103 ASP . 52336 1 101 104 ILE . 52336 1 102 105 LYS . 52336 1 103 106 SER . 52336 1 104 107 LYS . 52336 1 105 108 LYS . 52336 1 106 109 LYS . 52336 1 107 110 ARG . 52336 1 108 111 GLU . 52336 1 109 112 GLN . 52336 1 110 113 SER . 52336 1 111 114 ASN . 52336 1 112 115 ASP . 52336 1 113 116 ILE . 52336 1 114 117 ALA . 52336 1 115 118 ARG . 52336 1 116 119 GLY . 52336 1 117 120 PHE . 52336 1 118 121 GLU . 52336 1 119 122 ARG . 52336 1 120 123 GLY . 52336 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 52336 1 . GLY 2 2 52336 1 . LYS 3 3 52336 1 . LYS 4 4 52336 1 . THR 5 5 52336 1 . LYS 6 6 52336 1 . ARG 7 7 52336 1 . THR 8 8 52336 1 . ALA 9 9 52336 1 . ASP 10 10 52336 1 . SER 11 11 52336 1 . SER 12 12 52336 1 . SER 13 13 52336 1 . SER 14 14 52336 1 . GLU 15 15 52336 1 . ASP 16 16 52336 1 . GLU 17 17 52336 1 . GLU 18 18 52336 1 . GLU 19 19 52336 1 . TYR 20 20 52336 1 . VAL 21 21 52336 1 . VAL 22 22 52336 1 . GLU 23 23 52336 1 . LYS 24 24 52336 1 . VAL 25 25 52336 1 . LEU 26 26 52336 1 . ASP 27 27 52336 1 . ARG 28 28 52336 1 . ARG 29 29 52336 1 . VAL 30 30 52336 1 . VAL 31 31 52336 1 . LYS 32 32 52336 1 . GLY 33 33 52336 1 . GLN 34 34 52336 1 . VAL 35 35 52336 1 . GLU 36 36 52336 1 . TYR 37 37 52336 1 . LEU 38 38 52336 1 . LEU 39 39 52336 1 . LYS 40 40 52336 1 . TRP 41 41 52336 1 . LYS 42 42 52336 1 . GLY 43 43 52336 1 . PHE 44 44 52336 1 . SER 45 45 52336 1 . GLU 46 46 52336 1 . GLU 47 47 52336 1 . HIS 48 48 52336 1 . ASN 49 49 52336 1 . THR 50 50 52336 1 . TRP 51 51 52336 1 . GLU 52 52 52336 1 . PRO 53 53 52336 1 . GLU 54 54 52336 1 . LYS 55 55 52336 1 . ASN 56 56 52336 1 . LEU 57 57 52336 1 . ASP 58 58 52336 1 . CYS 59 59 52336 1 . PRO 60 60 52336 1 . GLU 61 61 52336 1 . LEU 62 62 52336 1 . ILE 63 63 52336 1 . SER 64 64 52336 1 . GLU 65 65 52336 1 . PHE 66 66 52336 1 . MET 67 67 52336 1 . LYS 68 68 52336 1 . LYS 69 69 52336 1 . TYR 70 70 52336 1 . LYS 71 71 52336 1 . LYS 72 72 52336 1 . MET 73 73 52336 1 . LYS 74 74 52336 1 . GLU 75 75 52336 1 . GLY 76 76 52336 1 . GLU 77 77 52336 1 . ASN 78 78 52336 1 . ASN 79 79 52336 1 . LYS 80 80 52336 1 . PRO 81 81 52336 1 . ARG 82 82 52336 1 . GLU 83 83 52336 1 . LYS 84 84 52336 1 . SER 85 85 52336 1 . GLU 86 86 52336 1 . SER 87 87 52336 1 . ASN 88 88 52336 1 . LYS 89 89 52336 1 . ARG 90 90 52336 1 . LYS 91 91 52336 1 . SER 92 92 52336 1 . ASN 93 93 52336 1 . PHE 94 94 52336 1 . SER 95 95 52336 1 . ASN 96 96 52336 1 . SER 97 97 52336 1 . ALA 98 98 52336 1 . ASP 99 99 52336 1 . ASP 100 100 52336 1 . ILE 101 101 52336 1 . LYS 102 102 52336 1 . SER 103 103 52336 1 . LYS 104 104 52336 1 . LYS 105 105 52336 1 . LYS 106 106 52336 1 . ARG 107 107 52336 1 . GLU 108 108 52336 1 . GLN 109 109 52336 1 . SER 110 110 52336 1 . ASN 111 111 52336 1 . ASP 112 112 52336 1 . ILE 113 113 52336 1 . ALA 114 114 52336 1 . ARG 115 115 52336 1 . GLY 116 116 52336 1 . PHE 117 117 52336 1 . GLU 118 118 52336 1 . ARG 119 119 52336 1 . GLY 120 120 52336 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 52336 _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 . . . . . . . . . . . . . 52336 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 52336 _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 . . pET15b . . . 52336 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52336 _Sample.ID 1 _Sample.Name pHP1aNCDhinge _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 pHP1aNCDhinge '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 52336 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 52336 _Sample_condition_list.ID 1 _Sample_condition_list.Name pSHP1aNCDhinge _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' 50 . mM 52336 1 pH 7 . pH 52336 1 pressure 1 . atm 52336 1 temperature 296.7 . K 52336 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52336 _Software.ID 1 _Software.Type . _Software.Name MAGRO _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52336 1 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 52336 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 52336 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52336 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 52336 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name pHP1aNCDhinge _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 indirect 1 . . . . . 52336 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 52336 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 52336 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name pHp1aNCDhinge _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 TROSY' . . . 52336 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 . . 52336 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 2 2 GLY H H 1 8.429 0.030 . 1 . . . . . 5 GLY H . 52336 1 2 . 1 . 1 2 2 GLY N N 15 110.580 0.300 . 1 . . . . . 5 GLY N . 52336 1 3 . 1 . 1 3 3 LYS H H 1 8.203 0.030 . 1 . . . . . 6 LYS H . 52336 1 4 . 1 . 1 3 3 LYS N N 15 121.534 0.300 . 1 . . . . . 6 LYS N . 52336 1 5 . 1 . 1 4 4 LYS H H 1 8.506 0.030 . 1 . . . . . 7 LYS H . 52336 1 6 . 1 . 1 4 4 LYS N N 15 123.796 0.300 . 1 . . . . . 7 LYS N . 52336 1 7 . 1 . 1 6 6 LYS H H 1 8.364 0.030 . 1 . . . . . 9 LYS H . 52336 1 8 . 1 . 1 6 6 LYS N N 15 125.317 0.300 . 1 . . . . . 9 LYS N . 52336 1 9 . 1 . 1 7 7 ARG H H 1 8.862 0.030 . 1 . . . . . 10 ARG H . 52336 1 10 . 1 . 1 7 7 ARG N N 15 124.464 0.300 . 1 . . . . . 10 ARG N . 52336 1 11 . 1 . 1 8 8 THR H H 1 8.374 0.030 . 1 . . . . . 11 THR H . 52336 1 12 . 1 . 1 8 8 THR N N 15 114.782 0.300 . 1 . . . . . 11 THR N . 52336 1 13 . 1 . 1 9 9 ALA H H 1 8.409 0.030 . 1 . . . . . 12 ALA H . 52336 1 14 . 1 . 1 9 9 ALA N N 15 124.707 0.300 . 1 . . . . . 12 ALA N . 52336 1 15 . 1 . 1 10 10 ASP H H 1 8.075 0.030 . 1 . . . . . 13 ASP H . 52336 1 16 . 1 . 1 10 10 ASP N N 15 118.286 0.300 . 1 . . . . . 13 ASP N . 52336 1 17 . 1 . 1 11 11 SER H H 1 8.247 0.030 . 1 . . . . . 14 SER H . 52336 1 18 . 1 . 1 11 11 SER N N 15 116.768 0.300 . 1 . . . . . 14 SER N . 52336 1 19 . 1 . 1 12 12 SER H H 1 8.764 0.030 . 1 . . . . . 15 SER H . 52336 1 20 . 1 . 1 12 12 SER N N 15 119.507 0.300 . 1 . . . . . 15 SER N . 52336 1 21 . 1 . 1 13 13 SER H H 1 8.833 0.030 . 1 . . . . . 16 SER H . 52336 1 22 . 1 . 1 13 13 SER N N 15 119.522 0.300 . 1 . . . . . 16 SER N . 52336 1 23 . 1 . 1 14 14 SER H H 1 8.890 0.030 . 1 . . . . . 17 SER H . 52336 1 24 . 1 . 1 14 14 SER N N 15 119.798 0.300 . 1 . . . . . 17 SER N . 52336 1 25 . 1 . 1 15 15 GLU H H 1 8.542 0.030 . 1 . . . . . 18 GLU H . 52336 1 26 . 1 . 1 15 15 GLU N N 15 123.406 0.300 . 1 . . . . . 18 GLU N . 52336 1 27 . 1 . 1 16 16 ASP H H 1 8.444 0.030 . 1 . . . . . 19 ASP H . 52336 1 28 . 1 . 1 16 16 ASP N N 15 123.054 0.300 . 1 . . . . . 19 ASP N . 52336 1 29 . 1 . 1 17 17 GLU H H 1 8.440 0.030 . 1 . . . . . 20 GLU H . 52336 1 30 . 1 . 1 17 17 GLU N N 15 122.532 0.300 . 1 . . . . . 20 GLU N . 52336 1 31 . 1 . 1 18 18 GLU H H 1 8.238 0.030 . 1 . . . . . 21 GLU H . 52336 1 32 . 1 . 1 18 18 GLU N N 15 122.524 0.300 . 1 . . . . . 21 GLU N . 52336 1 33 . 1 . 1 19 19 GLU H H 1 8.165 0.030 . 1 . . . . . 22 GLU H . 52336 1 34 . 1 . 1 19 19 GLU N N 15 122.269 0.300 . 1 . . . . . 22 GLU N . 52336 1 35 . 1 . 1 20 20 TYR H H 1 8.367 0.030 . 1 . . . . . 23 TYR H . 52336 1 36 . 1 . 1 20 20 TYR N N 15 124.215 0.300 . 1 . . . . . 23 TYR N . 52336 1 37 . 1 . 1 21 21 VAL H H 1 9.445 0.030 . 1 . . . . . 24 VAL H . 52336 1 38 . 1 . 1 21 21 VAL N N 15 125.710 0.300 . 1 . . . . . 24 VAL N . 52336 1 39 . 1 . 1 22 22 VAL H H 1 8.815 0.030 . 1 . . . . . 25 VAL H . 52336 1 40 . 1 . 1 22 22 VAL N N 15 129.590 0.300 . 1 . . . . . 25 VAL N . 52336 1 41 . 1 . 1 23 23 GLU H H 1 9.308 0.030 . 1 . . . . . 26 GLU H . 52336 1 42 . 1 . 1 23 23 GLU N N 15 127.846 0.300 . 1 . . . . . 26 GLU N . 52336 1 43 . 1 . 1 24 24 LYS H H 1 7.521 0.030 . 1 . . . . . 27 LYS H . 52336 1 44 . 1 . 1 24 24 LYS N N 15 115.575 0.300 . 1 . . . . . 27 LYS N . 52336 1 45 . 1 . 1 25 25 VAL H H 1 8.302 0.030 . 1 . . . . . 28 VAL H . 52336 1 46 . 1 . 1 25 25 VAL N N 15 123.848 0.300 . 1 . . . . . 28 VAL N . 52336 1 47 . 1 . 1 26 26 LEU H H 1 8.950 0.030 . 1 . . . . . 29 LEU H . 52336 1 48 . 1 . 1 26 26 LEU N N 15 124.268 0.300 . 1 . . . . . 29 LEU N . 52336 1 49 . 1 . 1 27 27 ASP H H 1 7.107 0.030 . 1 . . . . . 30 ASP H . 52336 1 50 . 1 . 1 27 27 ASP N N 15 115.404 0.300 . 1 . . . . . 30 ASP N . 52336 1 51 . 1 . 1 28 28 ARG H H 1 9.497 0.030 . 1 . . . . . 31 ARG H . 52336 1 52 . 1 . 1 28 28 ARG N N 15 122.909 0.300 . 1 . . . . . 31 ARG N . 52336 1 53 . 1 . 1 29 29 ARG H H 1 9.219 0.030 . 1 . . . . . 32 ARG H . 52336 1 54 . 1 . 1 29 29 ARG N N 15 124.610 0.300 . 1 . . . . . 32 ARG N . 52336 1 55 . 1 . 1 30 30 VAL H H 1 8.192 0.030 . 1 . . . . . 33 VAL H . 52336 1 56 . 1 . 1 30 30 VAL N N 15 119.957 0.300 . 1 . . . . . 33 VAL N . 52336 1 57 . 1 . 1 31 31 VAL H H 1 8.767 0.030 . 1 . . . . . 34 VAL H . 52336 1 58 . 1 . 1 31 31 VAL N N 15 127.903 0.300 . 1 . . . . . 34 VAL N . 52336 1 59 . 1 . 1 33 33 GLY H H 1 8.237 0.030 . 1 . . . . . 36 GLY H . 52336 1 60 . 1 . 1 33 33 GLY N N 15 103.724 0.300 . 1 . . . . . 36 GLY N . 52336 1 61 . 1 . 1 34 34 GLN H H 1 7.880 0.030 . 1 . . . . . 37 GLN H . 52336 1 62 . 1 . 1 34 34 GLN N N 15 121.162 0.300 . 1 . . . . . 37 GLN N . 52336 1 63 . 1 . 1 35 35 VAL H H 1 8.685 0.030 . 1 . . . . . 38 VAL H . 52336 1 64 . 1 . 1 35 35 VAL N N 15 126.262 0.300 . 1 . . . . . 38 VAL N . 52336 1 65 . 1 . 1 36 36 GLU H H 1 9.105 0.030 . 1 . . . . . 39 GLU H . 52336 1 66 . 1 . 1 36 36 GLU N N 15 127.650 0.300 . 1 . . . . . 39 GLU N . 52336 1 67 . 1 . 1 37 37 TYR H H 1 8.853 0.030 . 1 . . . . . 40 TYR H . 52336 1 68 . 1 . 1 37 37 TYR N N 15 117.797 0.300 . 1 . . . . . 40 TYR N . 52336 1 69 . 1 . 1 38 38 LEU H H 1 7.291 0.030 . 1 . . . . . 41 LEU H . 52336 1 70 . 1 . 1 38 38 LEU N N 15 126.557 0.300 . 1 . . . . . 41 LEU N . 52336 1 71 . 1 . 1 39 39 LEU H H 1 8.736 0.030 . 1 . . . . . 42 LEU H . 52336 1 72 . 1 . 1 39 39 LEU N N 15 128.665 0.300 . 1 . . . . . 42 LEU N . 52336 1 73 . 1 . 1 40 40 LYS H H 1 7.565 0.030 . 1 . . . . . 43 LYS H . 52336 1 74 . 1 . 1 40 40 LYS N N 15 119.318 0.300 . 1 . . . . . 43 LYS N . 52336 1 75 . 1 . 1 41 41 TRP H H 1 9.230 0.030 . 1 . . . . . 44 TRP H . 52336 1 76 . 1 . 1 41 41 TRP N N 15 131.862 0.300 . 1 . . . . . 44 TRP N . 52336 1 77 . 1 . 1 42 42 LYS H H 1 9.452 0.030 . 1 . . . . . 45 LYS H . 52336 1 78 . 1 . 1 42 42 LYS N N 15 126.401 0.300 . 1 . . . . . 45 LYS N . 52336 1 79 . 1 . 1 43 43 GLY H H 1 9.312 0.030 . 1 . . . . . 46 GLY H . 52336 1 80 . 1 . 1 43 43 GLY N N 15 114.669 0.300 . 1 . . . . . 46 GLY N . 52336 1 81 . 1 . 1 44 44 PHE H H 1 7.761 0.030 . 1 . . . . . 47 PHE H . 52336 1 82 . 1 . 1 44 44 PHE N N 15 118.716 0.300 . 1 . . . . . 47 PHE N . 52336 1 83 . 1 . 1 45 45 SER H H 1 8.901 0.030 . 1 . . . . . 48 SER H . 52336 1 84 . 1 . 1 45 45 SER N N 15 117.323 0.300 . 1 . . . . . 48 SER N . 52336 1 85 . 1 . 1 46 46 GLU H H 1 9.015 0.030 . 1 . . . . . 49 GLU H . 52336 1 86 . 1 . 1 46 46 GLU N N 15 119.252 0.300 . 1 . . . . . 49 GLU N . 52336 1 87 . 1 . 1 47 47 GLU H H 1 8.756 0.030 . 1 . . . . . 50 GLU H . 52336 1 88 . 1 . 1 47 47 GLU N N 15 121.853 0.300 . 1 . . . . . 50 GLU N . 52336 1 89 . 1 . 1 48 48 HIS H H 1 8.173 0.030 . 1 . . . . . 51 HIS H . 52336 1 90 . 1 . 1 48 48 HIS N N 15 117.735 0.300 . 1 . . . . . 51 HIS N . 52336 1 91 . 1 . 1 49 49 ASN H H 1 7.394 0.030 . 1 . . . . . 52 ASN H . 52336 1 92 . 1 . 1 49 49 ASN N N 15 120.386 0.300 . 1 . . . . . 52 ASN N . 52336 1 93 . 1 . 1 50 50 THR H H 1 7.823 0.030 . 1 . . . . . 53 THR H . 52336 1 94 . 1 . 1 50 50 THR N N 15 112.030 0.300 . 1 . . . . . 53 THR N . 52336 1 95 . 1 . 1 51 51 TRP H H 1 8.425 0.030 . 1 . . . . . 54 TRP H . 52336 1 96 . 1 . 1 51 51 TRP N N 15 122.725 0.300 . 1 . . . . . 54 TRP N . 52336 1 97 . 1 . 1 52 52 GLU H H 1 9.444 0.030 . 1 . . . . . 55 GLU H . 52336 1 98 . 1 . 1 52 52 GLU N N 15 123.906 0.300 . 1 . . . . . 55 GLU N . 52336 1 99 . 1 . 1 54 54 GLU H H 1 8.724 0.030 . 1 . . . . . 57 GLU H . 52336 1 100 . 1 . 1 54 54 GLU N N 15 124.964 0.300 . 1 . . . . . 57 GLU N . 52336 1 101 . 1 . 1 55 55 LYS H H 1 8.364 0.030 . 1 . . . . . 58 LYS H . 52336 1 102 . 1 . 1 55 55 LYS N N 15 116.009 0.300 . 1 . . . . . 58 LYS N . 52336 1 103 . 1 . 1 56 56 ASN H H 1 7.794 0.030 . 1 . . . . . 59 ASN H . 52336 1 104 . 1 . 1 56 56 ASN N N 15 117.869 0.300 . 1 . . . . . 59 ASN N . 52336 1 105 . 1 . 1 57 57 LEU H H 1 7.557 0.030 . 1 . . . . . 60 LEU H . 52336 1 106 . 1 . 1 57 57 LEU N N 15 120.631 0.300 . 1 . . . . . 60 LEU N . 52336 1 107 . 1 . 1 58 58 ASP H H 1 8.733 0.030 . 1 . . . . . 61 ASP H . 52336 1 108 . 1 . 1 58 58 ASP N N 15 122.950 0.300 . 1 . . . . . 61 ASP N . 52336 1 109 . 1 . 1 59 59 CYS H H 1 8.001 0.030 . 1 . . . . . 62 CYS H . 52336 1 110 . 1 . 1 59 59 CYS N N 15 114.939 0.300 . 1 . . . . . 62 CYS N . 52336 1 111 . 1 . 1 61 61 GLU H H 1 9.014 0.030 . 1 . . . . . 64 GLU H . 52336 1 112 . 1 . 1 61 61 GLU N N 15 119.857 0.300 . 1 . . . . . 64 GLU N . 52336 1 113 . 1 . 1 62 62 LEU H H 1 7.319 0.030 . 1 . . . . . 65 LEU H . 52336 1 114 . 1 . 1 62 62 LEU N N 15 119.785 0.300 . 1 . . . . . 65 LEU N . 52336 1 115 . 1 . 1 63 63 ILE H H 1 7.591 0.030 . 1 . . . . . 66 ILE H . 52336 1 116 . 1 . 1 63 63 ILE N N 15 121.691 0.300 . 1 . . . . . 66 ILE N . 52336 1 117 . 1 . 1 64 64 SER H H 1 8.332 0.030 . 1 . . . . . 67 SER H . 52336 1 118 . 1 . 1 64 64 SER N N 15 115.933 0.300 . 1 . . . . . 67 SER N . 52336 1 119 . 1 . 1 65 65 GLU H H 1 7.756 0.030 . 1 . . . . . 68 GLU H . 52336 1 120 . 1 . 1 65 65 GLU N N 15 120.851 0.300 . 1 . . . . . 68 GLU N . 52336 1 121 . 1 . 1 66 66 PHE H H 1 7.579 0.030 . 1 . . . . . 69 PHE H . 52336 1 122 . 1 . 1 66 66 PHE N N 15 121.028 0.300 . 1 . . . . . 69 PHE N . 52336 1 123 . 1 . 1 67 67 MET H H 1 8.753 0.030 . 1 . . . . . 70 MET H . 52336 1 124 . 1 . 1 67 67 MET N N 15 118.340 0.300 . 1 . . . . . 70 MET N . 52336 1 125 . 1 . 1 68 68 LYS H H 1 7.812 0.030 . 1 . . . . . 71 LYS H . 52336 1 126 . 1 . 1 68 68 LYS N N 15 120.297 0.300 . 1 . . . . . 71 LYS N . 52336 1 127 . 1 . 1 69 69 LYS H H 1 7.148 0.030 . 1 . . . . . 72 LYS H . 52336 1 128 . 1 . 1 69 69 LYS N N 15 118.304 0.300 . 1 . . . . . 72 LYS N . 52336 1 129 . 1 . 1 70 70 TYR H H 1 7.999 0.030 . 1 . . . . . 73 TYR H . 52336 1 130 . 1 . 1 70 70 TYR N N 15 122.419 0.300 . 1 . . . . . 73 TYR N . 52336 1 131 . 1 . 1 71 71 LYS H H 1 8.023 0.030 . 1 . . . . . 74 LYS H . 52336 1 132 . 1 . 1 71 71 LYS N N 15 120.398 0.300 . 1 . . . . . 74 LYS N . 52336 1 133 . 1 . 1 72 72 LYS H H 1 7.480 0.030 . 1 . . . . . 75 LYS H . 52336 1 134 . 1 . 1 72 72 LYS N N 15 120.066 0.300 . 1 . . . . . 75 LYS N . 52336 1 135 . 1 . 1 73 73 MET H H 1 8.020 0.030 . 1 . . . . . 76 MET H . 52336 1 136 . 1 . 1 73 73 MET N N 15 120.815 0.300 . 1 . . . . . 76 MET N . 52336 1 137 . 1 . 1 74 74 LYS H H 1 8.118 0.030 . 1 . . . . . 77 LYS H . 52336 1 138 . 1 . 1 74 74 LYS N N 15 121.501 0.300 . 1 . . . . . 77 LYS N . 52336 1 139 . 1 . 1 75 75 GLU H H 1 8.187 0.030 . 1 . . . . . 78 GLU H . 52336 1 140 . 1 . 1 75 75 GLU N N 15 121.753 0.300 . 1 . . . . . 78 GLU N . 52336 1 141 . 1 . 1 76 76 GLY H H 1 8.209 0.030 . 1 . . . . . 79 GLY H . 52336 1 142 . 1 . 1 76 76 GLY N N 15 109.541 0.300 . 1 . . . . . 79 GLY N . 52336 1 143 . 1 . 1 77 77 GLU H H 1 8.068 0.030 . 1 . . . . . 80 GLU H . 52336 1 144 . 1 . 1 77 77 GLU N N 15 120.852 0.300 . 1 . . . . . 80 GLU N . 52336 1 145 . 1 . 1 78 78 ASN H H 1 8.388 0.030 . 1 . . . . . 81 ASN H . 52336 1 146 . 1 . 1 78 78 ASN N N 15 119.267 0.300 . 1 . . . . . 81 ASN N . 52336 1 147 . 1 . 1 80 80 LYS H H 1 8.051 0.030 . 1 . . . . . 83 LYS H . 52336 1 148 . 1 . 1 80 80 LYS N N 15 122.926 0.300 . 1 . . . . . 83 LYS N . 52336 1 149 . 1 . 1 82 82 ARG H H 1 8.446 0.030 . 1 . . . . . 85 ARG H . 52336 1 150 . 1 . 1 82 82 ARG N N 15 122.328 0.300 . 1 . . . . . 85 ARG N . 52336 1 151 . 1 . 1 83 83 GLU H H 1 8.379 0.030 . 1 . . . . . 86 GLU H . 52336 1 152 . 1 . 1 83 83 GLU N N 15 122.419 0.300 . 1 . . . . . 86 GLU N . 52336 1 153 . 1 . 1 84 84 LYS H H 1 8.415 0.030 . 1 . . . . . 87 LYS H . 52336 1 154 . 1 . 1 84 84 LYS N N 15 123.310 0.300 . 1 . . . . . 87 LYS N . 52336 1 155 . 1 . 1 86 86 GLU H H 1 8.497 0.030 . 1 . . . . . 89 GLU H . 52336 1 156 . 1 . 1 86 86 GLU N N 15 123.464 0.300 . 1 . . . . . 89 GLU N . 52336 1 157 . 1 . 1 89 89 LYS H H 1 8.122 0.030 . 1 . . . . . 92 LYS H . 52336 1 158 . 1 . 1 89 89 LYS N N 15 121.824 0.300 . 1 . . . . . 92 LYS N . 52336 1 159 . 1 . 1 90 90 ARG H H 1 8.221 0.030 . 1 . . . . . 93 ARG H . 52336 1 160 . 1 . 1 90 90 ARG N N 15 122.232 0.300 . 1 . . . . . 93 ARG N . 52336 1 161 . 1 . 1 91 91 LYS H H 1 8.299 0.030 . 1 . . . . . 94 LYS H . 52336 1 162 . 1 . 1 91 91 LYS N N 15 123.148 0.300 . 1 . . . . . 94 LYS N . 52336 1 163 . 1 . 1 94 94 PHE H H 1 8.142 0.030 . 1 . . . . . 97 PHE H . 52336 1 164 . 1 . 1 94 94 PHE N N 15 120.867 0.300 . 1 . . . . . 97 PHE N . 52336 1 165 . 1 . 1 97 97 SER H H 1 8.239 0.030 . 1 . . . . . 100 SER H . 52336 1 166 . 1 . 1 97 97 SER N N 15 125.167 0.300 . 1 . . . . . 100 SER N . 52336 1 167 . 1 . 1 98 98 ALA H H 1 8.205 0.030 . 1 . . . . . 101 ALA H . 52336 1 168 . 1 . 1 98 98 ALA N N 15 122.898 0.300 . 1 . . . . . 101 ALA N . 52336 1 169 . 1 . 1 99 99 ASP H H 1 8.089 0.030 . 1 . . . . . 102 ASP H . 52336 1 170 . 1 . 1 99 99 ASP N N 15 119.219 0.300 . 1 . . . . . 102 ASP N . 52336 1 171 . 1 . 1 100 100 ASP H H 1 8.077 0.030 . 1 . . . . . 103 ASP H . 52336 1 172 . 1 . 1 100 100 ASP N N 15 121.032 0.300 . 1 . . . . . 103 ASP N . 52336 1 173 . 1 . 1 101 101 ILE H H 1 7.957 0.030 . 1 . . . . . 104 ILE H . 52336 1 174 . 1 . 1 101 101 ILE N N 15 121.331 0.300 . 1 . . . . . 104 ILE N . 52336 1 175 . 1 . 1 102 102 LYS H H 1 8.195 0.030 . 1 . . . . . 105 LYS H . 52336 1 176 . 1 . 1 102 102 LYS N N 15 123.599 0.300 . 1 . . . . . 105 LYS N . 52336 1 177 . 1 . 1 103 103 SER H H 1 8.068 0.030 . 1 . . . . . 106 SER H . 52336 1 178 . 1 . 1 103 103 SER N N 15 116.177 0.300 . 1 . . . . . 106 SER N . 52336 1 179 . 1 . 1 104 104 LYS H H 1 8.141 0.030 . 1 . . . . . 107 LYS H . 52336 1 180 . 1 . 1 104 104 LYS N N 15 123.659 0.300 . 1 . . . . . 107 LYS N . 52336 1 181 . 1 . 1 105 105 LYS H H 1 8.149 0.030 . 1 . . . . . 108 LYS H . 52336 1 182 . 1 . 1 105 105 LYS N N 15 122.112 0.300 . 1 . . . . . 108 LYS N . 52336 1 183 . 1 . 1 106 106 LYS H H 1 8.174 0.030 . 1 . . . . . 109 LYS H . 52336 1 184 . 1 . 1 106 106 LYS N N 15 122.935 0.300 . 1 . . . . . 109 LYS N . 52336 1 185 . 1 . 1 107 107 ARG H H 1 8.306 0.030 . 1 . . . . . 110 ARG H . 52336 1 186 . 1 . 1 107 107 ARG N N 15 122.752 0.300 . 1 . . . . . 110 ARG N . 52336 1 187 . 1 . 1 108 108 GLU H H 1 8.454 0.030 . 1 . . . . . 111 GLU H . 52336 1 188 . 1 . 1 108 108 GLU N N 15 123.020 0.300 . 1 . . . . . 111 GLU N . 52336 1 189 . 1 . 1 109 109 GLN H H 1 8.337 0.030 . 1 . . . . . 112 GLN H . 52336 1 190 . 1 . 1 109 109 GLN N N 15 121.557 0.300 . 1 . . . . . 112 GLN N . 52336 1 191 . 1 . 1 112 112 ASP H H 1 8.227 0.030 . 1 . . . . . 115 ASP H . 52336 1 192 . 1 . 1 112 112 ASP N N 15 121.154 0.300 . 1 . . . . . 115 ASP N . 52336 1 193 . 1 . 1 113 113 ILE H H 1 7.921 0.030 . 1 . . . . . 116 ILE H . 52336 1 194 . 1 . 1 113 113 ILE N N 15 121.305 0.300 . 1 . . . . . 116 ILE N . 52336 1 195 . 1 . 1 114 114 ALA H H 1 8.221 0.030 . 1 . . . . . 117 ALA H . 52336 1 196 . 1 . 1 114 114 ALA N N 15 127.390 0.300 . 1 . . . . . 117 ALA N . 52336 1 197 . 1 . 1 115 115 ARG H H 1 8.109 0.030 . 1 . . . . . 118 ARG H . 52336 1 198 . 1 . 1 115 115 ARG N N 15 120.349 0.300 . 1 . . . . . 118 ARG N . 52336 1 199 . 1 . 1 116 116 GLY H H 1 8.260 0.030 . 1 . . . . . 119 GLY H . 52336 1 200 . 1 . 1 116 116 GLY N N 15 109.881 0.300 . 1 . . . . . 119 GLY N . 52336 1 201 . 1 . 1 117 117 PHE H H 1 7.994 0.030 . 1 . . . . . 120 PHE H . 52336 1 202 . 1 . 1 117 117 PHE N N 15 120.117 0.300 . 1 . . . . . 120 PHE N . 52336 1 203 . 1 . 1 118 118 GLU H H 1 8.364 0.030 . 1 . . . . . 121 GLU H . 52336 1 204 . 1 . 1 118 118 GLU N N 15 122.956 0.300 . 1 . . . . . 121 GLU N . 52336 1 205 . 1 . 1 119 119 ARG H H 1 8.256 0.030 . 1 . . . . . 122 ARG H . 52336 1 206 . 1 . 1 119 119 ARG N N 15 122.599 0.300 . 1 . . . . . 122 ARG N . 52336 1 207 . 1 . 1 120 120 GLY H H 1 7.988 0.030 . 1 . . . . . 123 GLY H . 52336 1 208 . 1 . 1 120 120 GLY N N 15 116.731 0.300 . 1 . . . . . 123 GLY N . 52336 1 stop_ save_