data_51283 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51283 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for vRAGE(23-125) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-01-18 _Entry.Accession_date 2022-01-18 _Entry.Last_release_date 2022-01-18 _Entry.Original_release_date 2022-01-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Houfang Long . . . . 51283 2 shengnan zhang . . . . 51283 3 Shuyi Zeng . . . . 51283 4 Cong Liu . . . . 51283 5 Dan Li . . . . 51283 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51283 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 166 51283 '15N chemical shifts' 73 51283 '1H chemical shifts' 73 51283 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 . . 2022-10-19 . original BMRB . 51283 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51283 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36130498 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Interaction of RAGE with a-synuclein fibrils mediates inflammatory response of microglia ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 40 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 111401 _Citation.Page_last 111401 _Citation.Year 2022 _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 Houfang Long H. . . . 51283 1 2 Shengnan Zhang S. . . . 51283 1 3 Shuyi Zeng S. . . . 51283 1 4 Yilun Tong Y. . . . 51283 1 5 Jun Liu J. . . . 51283 1 6 Cong Liu C. . . . 51283 1 7 Dan Li D. . . . 51283 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID vRAGE 51283 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51283 _Assembly.ID 1 _Assembly.Name vRAGE(23-125) _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 vRAGE 1 $entity_1 . . yes native no no . . . 51283 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51283 _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 ; GAQNITARIGEPLVLKCKGA PKKPPQRLEWKLNTGRTEAW KVLSPQGGGPWDSVARVLPN GSLFLPAVGIQDEGIFRCQA MNRNGKETKSNYRVRVYQIP GKPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The construct was made for the residues 23-125 of human RAGE, and refereed as vRAGE.' _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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 22 GLY . 51283 1 2 23 ALA . 51283 1 3 24 GLN . 51283 1 4 25 ASN . 51283 1 5 26 ILE . 51283 1 6 27 THR . 51283 1 7 28 ALA . 51283 1 8 29 ARG . 51283 1 9 30 ILE . 51283 1 10 31 GLY . 51283 1 11 32 GLU . 51283 1 12 33 PRO . 51283 1 13 34 LEU . 51283 1 14 35 VAL . 51283 1 15 36 LEU . 51283 1 16 37 LYS . 51283 1 17 38 CYS . 51283 1 18 39 LYS . 51283 1 19 40 GLY . 51283 1 20 41 ALA . 51283 1 21 42 PRO . 51283 1 22 43 LYS . 51283 1 23 44 LYS . 51283 1 24 45 PRO . 51283 1 25 46 PRO . 51283 1 26 47 GLN . 51283 1 27 48 ARG . 51283 1 28 49 LEU . 51283 1 29 50 GLU . 51283 1 30 51 TRP . 51283 1 31 52 LYS . 51283 1 32 53 LEU . 51283 1 33 54 ASN . 51283 1 34 55 THR . 51283 1 35 56 GLY . 51283 1 36 57 ARG . 51283 1 37 58 THR . 51283 1 38 59 GLU . 51283 1 39 60 ALA . 51283 1 40 61 TRP . 51283 1 41 62 LYS . 51283 1 42 63 VAL . 51283 1 43 64 LEU . 51283 1 44 65 SER . 51283 1 45 66 PRO . 51283 1 46 67 GLN . 51283 1 47 68 GLY . 51283 1 48 69 GLY . 51283 1 49 70 GLY . 51283 1 50 71 PRO . 51283 1 51 72 TRP . 51283 1 52 73 ASP . 51283 1 53 74 SER . 51283 1 54 75 VAL . 51283 1 55 76 ALA . 51283 1 56 77 ARG . 51283 1 57 78 VAL . 51283 1 58 79 LEU . 51283 1 59 80 PRO . 51283 1 60 81 ASN . 51283 1 61 82 GLY . 51283 1 62 83 SER . 51283 1 63 84 LEU . 51283 1 64 85 PHE . 51283 1 65 86 LEU . 51283 1 66 87 PRO . 51283 1 67 88 ALA . 51283 1 68 89 VAL . 51283 1 69 90 GLY . 51283 1 70 91 ILE . 51283 1 71 92 GLN . 51283 1 72 93 ASP . 51283 1 73 94 GLU . 51283 1 74 95 GLY . 51283 1 75 96 ILE . 51283 1 76 97 PHE . 51283 1 77 98 ARG . 51283 1 78 99 CYS . 51283 1 79 100 GLN . 51283 1 80 101 ALA . 51283 1 81 102 MET . 51283 1 82 103 ASN . 51283 1 83 104 ARG . 51283 1 84 105 ASN . 51283 1 85 106 GLY . 51283 1 86 107 LYS . 51283 1 87 108 GLU . 51283 1 88 109 THR . 51283 1 89 110 LYS . 51283 1 90 111 SER . 51283 1 91 112 ASN . 51283 1 92 113 TYR . 51283 1 93 114 ARG . 51283 1 94 115 VAL . 51283 1 95 116 ARG . 51283 1 96 117 VAL . 51283 1 97 118 TYR . 51283 1 98 119 GLN . 51283 1 99 120 ILE . 51283 1 100 121 PRO . 51283 1 101 122 GLY . 51283 1 102 123 LYS . 51283 1 103 124 PRO . 51283 1 104 125 GLU . 51283 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 51283 1 . ALA 2 2 51283 1 . GLN 3 3 51283 1 . ASN 4 4 51283 1 . ILE 5 5 51283 1 . THR 6 6 51283 1 . ALA 7 7 51283 1 . ARG 8 8 51283 1 . ILE 9 9 51283 1 . GLY 10 10 51283 1 . GLU 11 11 51283 1 . PRO 12 12 51283 1 . LEU 13 13 51283 1 . VAL 14 14 51283 1 . LEU 15 15 51283 1 . LYS 16 16 51283 1 . CYS 17 17 51283 1 . LYS 18 18 51283 1 . GLY 19 19 51283 1 . ALA 20 20 51283 1 . PRO 21 21 51283 1 . LYS 22 22 51283 1 . LYS 23 23 51283 1 . PRO 24 24 51283 1 . PRO 25 25 51283 1 . GLN 26 26 51283 1 . ARG 27 27 51283 1 . LEU 28 28 51283 1 . GLU 29 29 51283 1 . TRP 30 30 51283 1 . LYS 31 31 51283 1 . LEU 32 32 51283 1 . ASN 33 33 51283 1 . THR 34 34 51283 1 . GLY 35 35 51283 1 . ARG 36 36 51283 1 . THR 37 37 51283 1 . GLU 38 38 51283 1 . ALA 39 39 51283 1 . TRP 40 40 51283 1 . LYS 41 41 51283 1 . VAL 42 42 51283 1 . LEU 43 43 51283 1 . SER 44 44 51283 1 . PRO 45 45 51283 1 . GLN 46 46 51283 1 . GLY 47 47 51283 1 . GLY 48 48 51283 1 . GLY 49 49 51283 1 . PRO 50 50 51283 1 . TRP 51 51 51283 1 . ASP 52 52 51283 1 . SER 53 53 51283 1 . VAL 54 54 51283 1 . ALA 55 55 51283 1 . ARG 56 56 51283 1 . VAL 57 57 51283 1 . LEU 58 58 51283 1 . PRO 59 59 51283 1 . ASN 60 60 51283 1 . GLY 61 61 51283 1 . SER 62 62 51283 1 . LEU 63 63 51283 1 . PHE 64 64 51283 1 . LEU 65 65 51283 1 . PRO 66 66 51283 1 . ALA 67 67 51283 1 . VAL 68 68 51283 1 . GLY 69 69 51283 1 . ILE 70 70 51283 1 . GLN 71 71 51283 1 . ASP 72 72 51283 1 . GLU 73 73 51283 1 . GLY 74 74 51283 1 . ILE 75 75 51283 1 . PHE 76 76 51283 1 . ARG 77 77 51283 1 . CYS 78 78 51283 1 . GLN 79 79 51283 1 . ALA 80 80 51283 1 . MET 81 81 51283 1 . ASN 82 82 51283 1 . ARG 83 83 51283 1 . ASN 84 84 51283 1 . GLY 85 85 51283 1 . LYS 86 86 51283 1 . GLU 87 87 51283 1 . THR 88 88 51283 1 . LYS 89 89 51283 1 . SER 90 90 51283 1 . ASN 91 91 51283 1 . TYR 92 92 51283 1 . ARG 93 93 51283 1 . VAL 94 94 51283 1 . ARG 95 95 51283 1 . VAL 96 96 51283 1 . TYR 97 97 51283 1 . GLN 98 98 51283 1 . ILE 99 99 51283 1 . PRO 100 100 51283 1 . GLY 101 101 51283 1 . LYS 102 102 51283 1 . PRO 103 103 51283 1 . GLU 104 104 51283 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 51283 _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 . . . . . . . . . . . . . 51283 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 51283 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-28a . . . 51283 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51283 _Sample.ID 1 _Sample.Name vRAGE(23-125) _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% 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 vRAGE(23-125) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 440 . . uM . . . . 51283 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 51283 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 51283 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51283 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 51283 _Sample_condition_list.ID 1 _Sample_condition_list.Name vRAGE(23-125) _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 7.0 . pH 51283 1 pressure 1 . atm 51283 1 temperature 298 . K 51283 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51283 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51283 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51283 _Software.ID 2 _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' . 51283 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51283 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51283 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 51283 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _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 51283 _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 . . . . . . . . . . . . . . . . . 51283 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51283 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51283 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 51283 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name vRAGE(23-125) _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51283 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51283 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51283 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 51283 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name vRAGE(23-125) _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' . . . 51283 1 2 '3D CBCA(CO)NH' . . . 51283 1 3 '3D HNCACB' . . . 51283 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 . . 51283 1 2 $software_2 . . 51283 1 3 $software_3 . . 51283 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 1 1 GLY CA C 13 45.4645 0.0000 . 1 . . . . . 22 GLY CA . 51283 1 2 . 1 . 1 2 2 ALA H H 1 7.8417 0.0000 . 1 . . . . . 23 ALA H . 51283 1 3 . 1 . 1 2 2 ALA CA C 13 51.8222 0.0000 . 1 . . . . . 23 ALA CA . 51283 1 4 . 1 . 1 2 2 ALA CB C 13 20.0239 0.0000 . 1 . . . . . 23 ALA CB . 51283 1 5 . 1 . 1 2 2 ALA N N 15 122.5672 0.0000 . 1 . . . . . 23 ALA N . 51283 1 6 . 1 . 1 3 3 GLN CA C 13 55.5512 0.0000 . 1 . . . . . 24 GLN CA . 51283 1 7 . 1 . 1 3 3 GLN CB C 13 29.8549 0.0000 . 1 . . . . . 24 GLN CB . 51283 1 8 . 1 . 1 4 4 ASN H H 1 8.9823 0.0000 . 1 . . . . . 25 ASN H . 51283 1 9 . 1 . 1 4 4 ASN CA C 13 54.1952 0.0000 . 1 . . . . . 25 ASN CA . 51283 1 10 . 1 . 1 4 4 ASN CB C 13 39.4147 0.0000 . 1 . . . . . 25 ASN CB . 51283 1 11 . 1 . 1 4 4 ASN N N 15 126.1765 0.0000 . 1 . . . . . 25 ASN N . 51283 1 12 . 1 . 1 5 5 ILE H H 1 9.1798 0.0000 . 1 . . . . . 26 ILE H . 51283 1 13 . 1 . 1 5 5 ILE CA C 13 58.4666 0.0000 . 1 . . . . . 26 ILE CA . 51283 1 14 . 1 . 1 5 5 ILE CB C 13 40.0249 0.0000 . 1 . . . . . 26 ILE CB . 51283 1 15 . 1 . 1 5 5 ILE N N 15 127.2210 0.0000 . 1 . . . . . 26 ILE N . 51283 1 16 . 1 . 1 6 6 THR H H 1 8.6626 0.0000 . 1 . . . . . 27 THR H . 51283 1 17 . 1 . 1 6 6 THR CA C 13 60.7718 0.0000 . 1 . . . . . 27 THR CA . 51283 1 18 . 1 . 1 6 6 THR CB C 13 69.8571 0.0000 . 1 . . . . . 27 THR CB . 51283 1 19 . 1 . 1 6 6 THR N N 15 122.7790 0.0000 . 1 . . . . . 27 THR N . 51283 1 20 . 1 . 1 7 7 ALA H H 1 8.9743 0.0000 . 1 . . . . . 28 ALA H . 51283 1 21 . 1 . 1 7 7 ALA CA C 13 50.1950 0.0000 . 1 . . . . . 28 ALA CA . 51283 1 22 . 1 . 1 7 7 ALA CB C 13 23.1427 0.0000 . 1 . . . . . 28 ALA CB . 51283 1 23 . 1 . 1 7 7 ALA N N 15 129.6030 0.0000 . 1 . . . . . 28 ALA N . 51283 1 24 . 1 . 1 8 8 ARG H H 1 8.3317 0.0000 . 1 . . . . . 29 ARG H . 51283 1 25 . 1 . 1 8 8 ARG CA C 13 55.0088 0.0000 . 1 . . . . . 29 ARG CA . 51283 1 26 . 1 . 1 8 8 ARG CB C 13 31.3465 0.0000 . 1 . . . . . 29 ARG CB . 51283 1 27 . 1 . 1 8 8 ARG N N 15 121.3838 0.0000 . 1 . . . . . 29 ARG N . 51283 1 28 . 1 . 1 9 9 ILE H H 1 8.1853 0.0000 . 1 . . . . . 30 ILE H . 51283 1 29 . 1 . 1 9 9 ILE CA C 13 62.8058 0.0000 . 1 . . . . . 30 ILE CA . 51283 1 30 . 1 . 1 9 9 ILE CB C 13 38.3299 0.0000 . 1 . . . . . 30 ILE CB . 51283 1 31 . 1 . 1 9 9 ILE N N 15 123.0273 0.0000 . 1 . . . . . 30 ILE N . 51283 1 32 . 1 . 1 10 10 GLY H H 1 9.5365 0.0000 . 1 . . . . . 31 GLY H . 51283 1 33 . 1 . 1 10 10 GLY CA C 13 44.8388 0.0000 . 1 . . . . . 31 GLY CA . 51283 1 34 . 1 . 1 10 10 GLY N N 15 114.5275 0.0000 . 1 . . . . . 31 GLY N . 51283 1 35 . 1 . 1 11 11 GLU H H 1 7.7226 0.0000 . 1 . . . . . 32 GLU H . 51283 1 36 . 1 . 1 11 11 GLU CA C 13 54.1274 0.0000 . 1 . . . . . 32 GLU CA . 51283 1 37 . 1 . 1 11 11 GLU CB C 13 29.8549 0.0000 . 1 . . . . . 32 GLU CB . 51283 1 38 . 1 . 1 11 11 GLU N N 15 126.6375 0.0000 . 1 . . . . . 32 GLU N . 51283 1 39 . 1 . 1 12 12 PRO CA C 13 61.9922 0.0000 . 1 . . . . . 33 PRO CA . 51283 1 40 . 1 . 1 12 12 PRO CB C 13 33.2449 0.0000 . 1 . . . . . 33 PRO CB . 51283 1 41 . 1 . 1 13 13 LEU H H 1 8.5811 0.0000 . 1 . . . . . 34 LEU H . 51283 1 42 . 1 . 1 13 13 LEU CA C 13 54.2630 0.0000 . 1 . . . . . 34 LEU CA . 51283 1 43 . 1 . 1 13 13 LEU CB C 13 47.0762 0.0000 . 1 . . . . . 34 LEU CB . 51283 1 44 . 1 . 1 13 13 LEU N N 15 122.1654 0.0000 . 1 . . . . . 34 LEU N . 51283 1 45 . 1 . 1 14 14 VAL H H 1 8.0895 0.0000 . 1 . . . . . 35 VAL H . 51283 1 46 . 1 . 1 14 14 VAL CA C 13 60.4328 0.0000 . 1 . . . . . 35 VAL CA . 51283 1 47 . 1 . 1 14 14 VAL CB C 13 33.6517 0.0000 . 1 . . . . . 35 VAL CB . 51283 1 48 . 1 . 1 14 14 VAL N N 15 124.8771 0.0000 . 1 . . . . . 35 VAL N . 51283 1 49 . 1 . 1 15 15 LEU H H 1 8.9073 0.0000 . 1 . . . . . 36 LEU H . 51283 1 50 . 1 . 1 15 15 LEU CA C 13 52.1612 0.0000 . 1 . . . . . 36 LEU CA . 51283 1 51 . 1 . 1 15 15 LEU CB C 13 44.3642 0.0000 . 1 . . . . . 36 LEU CB . 51283 1 52 . 1 . 1 15 15 LEU N N 15 127.0193 0.0000 . 1 . . . . . 36 LEU N . 51283 1 53 . 1 . 1 18 18 LYS CA C 13 56.3648 0.0000 . 1 . . . . . 39 LYS CA . 51283 1 54 . 1 . 1 18 18 LYS CB C 13 30.9397 0.0000 . 1 . . . . . 39 LYS CB . 51283 1 55 . 1 . 1 19 19 GLY H H 1 8.5029 0.0000 . 1 . . . . . 40 GLY H . 51283 1 56 . 1 . 1 19 19 GLY CA C 13 45.2456 0.0000 . 1 . . . . . 40 GLY CA . 51283 1 57 . 1 . 1 19 19 GLY N N 15 110.4141 0.0000 . 1 . . . . . 40 GLY N . 51283 1 58 . 1 . 1 20 20 ALA H H 1 8.5029 0.0000 . 1 . . . . . 41 ALA H . 51283 1 59 . 1 . 1 20 20 ALA CA C 13 50.0594 0.0000 . 1 . . . . . 41 ALA CA . 51283 1 60 . 1 . 1 20 20 ALA CB C 13 18.1933 0.0000 . 1 . . . . . 41 ALA CB . 51283 1 61 . 1 . 1 20 20 ALA N N 15 122.6551 0.0000 . 1 . . . . . 41 ALA N . 51283 1 62 . 1 . 1 21 21 PRO CA C 13 62.8736 0.0000 . 1 . . . . . 42 PRO CA . 51283 1 63 . 1 . 1 21 21 PRO CB C 13 32.2279 0.0000 . 1 . . . . . 42 PRO CB . 51283 1 64 . 1 . 1 22 22 LYS H H 1 8.5133 0.0000 . 1 . . . . . 43 LYS H . 51283 1 65 . 1 . 1 22 22 LYS CA C 13 57.9242 0.0000 . 1 . . . . . 43 LYS CA . 51283 1 66 . 1 . 1 22 22 LYS CB C 13 32.7025 0.0000 . 1 . . . . . 43 LYS CB . 51283 1 67 . 1 . 1 22 22 LYS N N 15 119.3741 0.0000 . 1 . . . . . 43 LYS N . 51283 1 68 . 1 . 1 25 25 PRO CA C 13 63.1448 0.0000 . 1 . . . . . 46 PRO CA . 51283 1 69 . 1 . 1 25 25 PRO CB C 13 32.0245 0.0000 . 1 . . . . . 46 PRO CB . 51283 1 70 . 1 . 1 26 26 GLN H H 1 8.2768 0.0000 . 1 . . . . . 47 GLN H . 51283 1 71 . 1 . 1 26 26 GLN CA C 13 55.4834 0.0000 . 1 . . . . . 47 GLN CA . 51283 1 72 . 1 . 1 26 26 GLN CB C 13 30.3295 0.0000 . 1 . . . . . 47 GLN CB . 51283 1 73 . 1 . 1 26 26 GLN N N 15 122.4678 0.0000 . 1 . . . . . 47 GLN N . 51283 1 74 . 1 . 1 27 27 ARG H H 1 9.1177 0.0000 . 1 . . . . . 48 ARG H . 51283 1 75 . 1 . 1 27 27 ARG CA C 13 55.3478 0.0000 . 1 . . . . . 48 ARG CA . 51283 1 76 . 1 . 1 27 27 ARG CB C 13 29.4481 0.0000 . 1 . . . . . 48 ARG CB . 51283 1 77 . 1 . 1 27 27 ARG N N 15 125.6212 0.0000 . 1 . . . . . 48 ARG N . 51283 1 78 . 1 . 1 28 28 LEU H H 1 7.8018 0.0000 . 1 . . . . . 49 LEU H . 51283 1 79 . 1 . 1 28 28 LEU CA C 13 53.9918 0.0000 . 1 . . . . . 49 LEU CA . 51283 1 80 . 1 . 1 28 28 LEU CB C 13 45.3134 0.0000 . 1 . . . . . 49 LEU CB . 51283 1 81 . 1 . 1 28 28 LEU N N 15 121.5127 0.0000 . 1 . . . . . 49 LEU N . 51283 1 82 . 1 . 1 30 30 TRP CA C 13 56.7038 0.0000 . 1 . . . . . 51 TRP CA . 51283 1 83 . 1 . 1 30 30 TRP CB C 13 32.2279 0.0000 . 1 . . . . . 51 TRP CB . 51283 1 84 . 1 . 1 31 31 LYS H H 1 9.7900 0.0000 . 1 . . . . . 52 LYS H . 51283 1 85 . 1 . 1 31 31 LYS CA C 13 55.0000 0.0000 . 1 . . . . . 52 LYS CA . 51283 1 86 . 1 . 1 31 31 LYS N N 15 120.3294 0.0000 . 1 . . . . . 52 LYS N . 51283 1 87 . 1 . 1 32 32 LEU H H 1 9.2793 0.0000 . 1 . . . . . 53 LEU H . 51283 1 88 . 1 . 1 32 32 LEU CA C 13 54.1952 0.0000 . 1 . . . . . 53 LEU CA . 51283 1 89 . 1 . 1 32 32 LEU N N 15 122.5745 0.0000 . 1 . . . . . 53 LEU N . 51283 1 90 . 1 . 1 40 40 TRP CA C 13 55.8224 0.0000 . 1 . . . . . 61 TRP CA . 51283 1 91 . 1 . 1 40 40 TRP CB C 13 34.6009 0.0000 . 1 . . . . . 61 TRP CB . 51283 1 92 . 1 . 1 41 41 LYS H H 1 9.1483 0.0000 . 1 . . . . . 62 LYS H . 51283 1 93 . 1 . 1 41 41 LYS CA C 13 56.6360 0.0000 . 1 . . . . . 62 LYS CA . 51283 1 94 . 1 . 1 41 41 LYS N N 15 125.6450 0.0000 . 1 . . . . . 62 LYS N . 51283 1 95 . 1 . 1 43 43 LEU CA C 13 53.9918 0.0000 . 1 . . . . . 64 LEU CA . 51283 1 96 . 1 . 1 43 43 LEU CB C 13 43.6862 0.0000 . 1 . . . . . 64 LEU CB . 51283 1 97 . 1 . 1 44 44 SER H H 1 8.7010 0.0000 . 1 . . . . . 65 SER H . 51283 1 98 . 1 . 1 44 44 SER CA C 13 55.8224 0.0000 . 1 . . . . . 65 SER CA . 51283 1 99 . 1 . 1 44 44 SER CB C 13 64.5686 0.0000 . 1 . . . . . 65 SER CB . 51283 1 100 . 1 . 1 44 44 SER N N 15 118.2780 0.0000 . 1 . . . . . 65 SER N . 51283 1 101 . 1 . 1 45 45 PRO CA C 13 64.5686 0.0000 . 1 . . . . . 66 PRO CA . 51283 1 102 . 1 . 1 45 45 PRO CB C 13 32.0245 0.0000 . 1 . . . . . 66 PRO CB . 51283 1 103 . 1 . 1 46 46 GLN H H 1 8.2433 0.0000 . 1 . . . . . 67 GLN H . 51283 1 104 . 1 . 1 46 46 GLN CA C 13 56.7716 0.0000 . 1 . . . . . 67 GLN CA . 51283 1 105 . 1 . 1 46 46 GLN CB C 13 29.1769 0.0000 . 1 . . . . . 67 GLN CB . 51283 1 106 . 1 . 1 46 46 GLN N N 15 116.9371 0.0000 . 1 . . . . . 67 GLN N . 51283 1 107 . 1 . 1 47 47 GLY H H 1 8.0632 0.0000 . 1 . . . . . 68 GLY H . 51283 1 108 . 1 . 1 47 47 GLY CA C 13 45.7880 0.0000 . 1 . . . . . 68 GLY CA . 51283 1 109 . 1 . 1 47 47 GLY N N 15 109.0056 0.0000 . 1 . . . . . 68 GLY N . 51283 1 110 . 1 . 1 48 48 GLY H H 1 9.0379 0.0000 . 1 . . . . . 69 GLY H . 51283 1 111 . 1 . 1 48 48 GLY CA C 13 45.3812 0.0000 . 1 . . . . . 69 GLY CA . 51283 1 112 . 1 . 1 48 48 GLY N N 15 110.6841 0.0000 . 1 . . . . . 69 GLY N . 51283 1 113 . 1 . 1 49 49 GLY H H 1 8.4538 0.0000 . 1 . . . . . 70 GLY H . 51283 1 114 . 1 . 1 49 49 GLY CA C 13 45.2456 0.0000 . 1 . . . . . 70 GLY CA . 51283 1 115 . 1 . 1 49 49 GLY N N 15 109.8642 0.0000 . 1 . . . . . 70 GLY N . 51283 1 116 . 1 . 1 50 50 PRO CA C 13 64.4330 0.0000 . 1 . . . . . 71 PRO CA . 51283 1 117 . 1 . 1 50 50 PRO CB C 13 32.0245 0.0000 . 1 . . . . . 71 PRO CB . 51283 1 118 . 1 . 1 51 51 TRP H H 1 8.4521 0.0000 . 1 . . . . . 72 TRP H . 51283 1 119 . 1 . 1 51 51 TRP CA C 13 59.2802 0.0000 . 1 . . . . . 72 TRP CA . 51283 1 120 . 1 . 1 51 51 TRP CB C 13 28.0243 0.0000 . 1 . . . . . 72 TRP CB . 51283 1 121 . 1 . 1 51 51 TRP N N 15 118.3557 0.0000 . 1 . . . . . 72 TRP N . 51283 1 122 . 1 . 1 52 52 ASP H H 1 7.9039 0.0000 . 1 . . . . . 73 ASP H . 51283 1 123 . 1 . 1 52 52 ASP CA C 13 56.7716 0.0000 . 1 . . . . . 73 ASP CA . 51283 1 124 . 1 . 1 52 52 ASP CB C 13 40.6351 0.0000 . 1 . . . . . 73 ASP CB . 51283 1 125 . 1 . 1 52 52 ASP N N 15 120.4628 0.0000 . 1 . . . . . 73 ASP N . 51283 1 126 . 1 . 1 53 53 SER H H 1 7.7217 0.0000 . 1 . . . . . 74 SER H . 51283 1 127 . 1 . 1 53 53 SER CA C 13 59.3480 0.0000 . 1 . . . . . 74 SER CA . 51283 1 128 . 1 . 1 53 53 SER CB C 13 63.4838 0.0000 . 1 . . . . . 74 SER CB . 51283 1 129 . 1 . 1 53 53 SER N N 15 111.2598 0.0000 . 1 . . . . . 74 SER N . 51283 1 130 . 1 . 1 54 54 VAL H H 1 7.7908 0.0000 . 1 . . . . . 75 VAL H . 51283 1 131 . 1 . 1 54 54 VAL CA C 13 62.8736 0.0000 . 1 . . . . . 75 VAL CA . 51283 1 132 . 1 . 1 54 54 VAL CB C 13 33.2449 0.0000 . 1 . . . . . 75 VAL CB . 51283 1 133 . 1 . 1 54 54 VAL N N 15 119.7815 0.0000 . 1 . . . . . 75 VAL N . 51283 1 134 . 1 . 1 55 55 ALA H H 1 8.2184 0.0000 . 1 . . . . . 76 ALA H . 51283 1 135 . 1 . 1 55 55 ALA CA C 13 51.8222 0.0000 . 1 . . . . . 76 ALA CA . 51283 1 136 . 1 . 1 55 55 ALA CB C 13 20.4985 0.0000 . 1 . . . . . 76 ALA CB . 51283 1 137 . 1 . 1 55 55 ALA N N 15 120.8914 0.0000 . 1 . . . . . 76 ALA N . 51283 1 138 . 1 . 1 56 56 ARG H H 1 8.9201 0.0000 . 1 . . . . . 77 ARG H . 51283 1 139 . 1 . 1 56 56 ARG CA C 13 53.8562 0.0000 . 1 . . . . . 77 ARG CA . 51283 1 140 . 1 . 1 56 56 ARG CB C 13 34.0585 0.0000 . 1 . . . . . 77 ARG CB . 51283 1 141 . 1 . 1 56 56 ARG N N 15 118.9004 0.0000 . 1 . . . . . 77 ARG N . 51283 1 142 . 1 . 1 57 57 VAL H H 1 8.6347 0.0000 . 1 . . . . . 78 VAL H . 51283 1 143 . 1 . 1 57 57 VAL CA C 13 62.1956 0.0000 . 1 . . . . . 78 VAL CA . 51283 1 144 . 1 . 1 57 57 VAL CB C 13 31.9567 0.0000 . 1 . . . . . 78 VAL CB . 51283 1 145 . 1 . 1 57 57 VAL N N 15 123.8624 0.0000 . 1 . . . . . 78 VAL N . 51283 1 146 . 1 . 1 58 58 LEU H H 1 9.3331 0.0000 . 1 . . . . . 79 LEU H . 51283 1 147 . 1 . 1 58 58 LEU CA C 13 53.7884 0.0000 . 1 . . . . . 79 LEU CA . 51283 1 148 . 1 . 1 58 58 LEU CB C 13 39.8215 0.0000 . 1 . . . . . 79 LEU CB . 51283 1 149 . 1 . 1 58 58 LEU N N 15 129.4532 0.0000 . 1 . . . . . 79 LEU N . 51283 1 150 . 1 . 1 59 59 PRO CA C 13 65.7890 0.0000 . 1 . . . . . 80 PRO CA . 51283 1 151 . 1 . 1 59 59 PRO CB C 13 31.6855 0.0000 . 1 . . . . . 80 PRO CB . 51283 1 152 . 1 . 1 60 60 ASN H H 1 7.2830 0.0000 . 1 . . . . . 81 ASN H . 51283 1 153 . 1 . 1 60 60 ASN CA C 13 52.1612 0.0000 . 1 . . . . . 81 ASN CA . 51283 1 154 . 1 . 1 60 60 ASN CB C 13 37.3129 0.0000 . 1 . . . . . 81 ASN CB . 51283 1 155 . 1 . 1 60 60 ASN N N 15 110.0324 0.0000 . 1 . . . . . 81 ASN N . 51283 1 156 . 1 . 1 61 61 GLY H H 1 8.5870 0.0000 . 1 . . . . . 82 GLY H . 51283 1 157 . 1 . 1 61 61 GLY CA C 13 45.7202 0.0000 . 1 . . . . . 82 GLY CA . 51283 1 158 . 1 . 1 61 61 GLY N N 15 109.0281 0.0000 . 1 . . . . . 82 GLY N . 51283 1 159 . 1 . 1 62 62 SER H H 1 7.7942 0.0000 . 1 . . . . . 83 SER H . 51283 1 160 . 1 . 1 62 62 SER CA C 13 59.2124 0.0000 . 1 . . . . . 83 SER CA . 51283 1 161 . 1 . 1 62 62 SER CB C 13 63.7550 0.0000 . 1 . . . . . 83 SER CB . 51283 1 162 . 1 . 1 62 62 SER N N 15 115.3956 0.0000 . 1 . . . . . 83 SER N . 51283 1 163 . 1 . 1 63 63 LEU H H 1 8.8089 0.0000 . 1 . . . . . 84 LEU H . 51283 1 164 . 1 . 1 63 63 LEU CA C 13 53.5850 0.0000 . 1 . . . . . 84 LEU CA . 51283 1 165 . 1 . 1 63 63 LEU CB C 13 41.9234 0.0000 . 1 . . . . . 84 LEU CB . 51283 1 166 . 1 . 1 63 63 LEU N N 15 124.0350 0.0000 . 1 . . . . . 84 LEU N . 51283 1 167 . 1 . 1 64 64 PHE H H 1 9.0551 0.0000 . 1 . . . . . 85 PHE H . 51283 1 168 . 1 . 1 64 64 PHE CA C 13 54.1952 0.0000 . 1 . . . . . 85 PHE CA . 51283 1 169 . 1 . 1 64 64 PHE CB C 13 42.1268 0.0000 . 1 . . . . . 85 PHE CB . 51283 1 170 . 1 . 1 64 64 PHE N N 15 126.5419 0.0000 . 1 . . . . . 85 PHE N . 51283 1 171 . 1 . 1 65 65 LEU H H 1 8.8034 0.0000 . 1 . . . . . 86 LEU H . 51283 1 172 . 1 . 1 65 65 LEU CA C 13 52.2968 0.0000 . 1 . . . . . 86 LEU CA . 51283 1 173 . 1 . 1 65 65 LEU CB C 13 42.2624 0.0000 . 1 . . . . . 86 LEU CB . 51283 1 174 . 1 . 1 65 65 LEU N N 15 130.2101 0.0000 . 1 . . . . . 86 LEU N . 51283 1 175 . 1 . 1 66 66 PRO CA C 13 63.8824 0.0000 . 1 . . . . . 87 PRO CA . 51283 1 176 . 1 . 1 66 66 PRO CB C 13 32.9737 0.0000 . 1 . . . . . 87 PRO CB . 51283 1 177 . 1 . 1 67 67 ALA H H 1 7.4052 0.0000 . 1 . . . . . 88 ALA H . 51283 1 178 . 1 . 1 67 67 ALA CA C 13 51.7544 0.0000 . 1 . . . . . 88 ALA CA . 51283 1 179 . 1 . 1 67 67 ALA CB C 13 19.1425 0.0000 . 1 . . . . . 88 ALA CB . 51283 1 180 . 1 . 1 67 67 ALA N N 15 116.3150 0.0000 . 1 . . . . . 88 ALA N . 51283 1 181 . 1 . 1 68 68 VAL H H 1 8.1044 0.0000 . 1 . . . . . 89 VAL H . 51283 1 182 . 1 . 1 68 68 VAL CA C 13 64.0940 0.0000 . 1 . . . . . 89 VAL CA . 51283 1 183 . 1 . 1 68 68 VAL CB C 13 32.1601 0.0000 . 1 . . . . . 89 VAL CB . 51283 1 184 . 1 . 1 68 68 VAL N N 15 125.3343 0.0000 . 1 . . . . . 89 VAL N . 51283 1 185 . 1 . 1 69 69 GLY H H 1 9.9021 0.0000 . 1 . . . . . 90 GLY H . 51283 1 186 . 1 . 1 69 69 GLY CA C 13 43.4150 0.0000 . 1 . . . . . 90 GLY CA . 51283 1 187 . 1 . 1 69 69 GLY N N 15 117.0152 0.0000 . 1 . . . . . 90 GLY N . 51283 1 188 . 1 . 1 70 70 ILE H H 1 8.6247 0.0000 . 1 . . . . . 91 ILE H . 51283 1 189 . 1 . 1 70 70 ILE CA C 13 63.8228 0.0000 . 1 . . . . . 91 ILE CA . 51283 1 190 . 1 . 1 70 70 ILE CB C 13 38.2621 0.0000 . 1 . . . . . 91 ILE CB . 51283 1 191 . 1 . 1 70 70 ILE N N 15 118.9502 0.0000 . 1 . . . . . 91 ILE N . 51283 1 192 . 1 . 1 71 71 GLN H H 1 8.7059 0.0000 . 1 . . . . . 92 GLN H . 51283 1 193 . 1 . 1 71 71 GLN CA C 13 57.3818 0.0000 . 1 . . . . . 92 GLN CA . 51283 1 194 . 1 . 1 71 71 GLN CB C 13 28.4311 0.0000 . 1 . . . . . 92 GLN CB . 51283 1 195 . 1 . 1 71 71 GLN N N 15 117.0262 0.0000 . 1 . . . . . 92 GLN N . 51283 1 196 . 1 . 1 72 72 ASP H H 1 7.8241 0.0000 . 1 . . . . . 93 ASP H . 51283 1 197 . 1 . 1 72 72 ASP CA C 13 55.8224 0.0000 . 1 . . . . . 93 ASP CA . 51283 1 198 . 1 . 1 72 72 ASP CB C 13 41.7877 0.0000 . 1 . . . . . 93 ASP CB . 51283 1 199 . 1 . 1 72 72 ASP N N 15 116.7330 0.0000 . 1 . . . . . 93 ASP N . 51283 1 200 . 1 . 1 73 73 GLU H H 1 6.6964 0.0000 . 1 . . . . . 94 GLU H . 51283 1 201 . 1 . 1 73 73 GLU CA C 13 57.4496 0.0000 . 1 . . . . . 94 GLU CA . 51283 1 202 . 1 . 1 73 73 GLU CB C 13 30.6685 0.0000 . 1 . . . . . 94 GLU CB . 51283 1 203 . 1 . 1 73 73 GLU N N 15 113.2348 0.0000 . 1 . . . . . 94 GLU N . 51283 1 204 . 1 . 1 74 74 GLY H H 1 8.1822 0.0000 . 1 . . . . . 95 GLY H . 51283 1 205 . 1 . 1 74 74 GLY CA C 13 45.2456 0.0000 . 1 . . . . . 95 GLY CA . 51283 1 206 . 1 . 1 74 74 GLY N N 15 110.3649 0.0000 . 1 . . . . . 95 GLY N . 51283 1 207 . 1 . 1 75 75 ILE H H 1 7.9516 0.0000 . 1 . . . . . 96 ILE H . 51283 1 208 . 1 . 1 75 75 ILE CA C 13 58.4666 0.0000 . 1 . . . . . 96 ILE CA . 51283 1 209 . 1 . 1 75 75 ILE CB C 13 39.9571 0.0000 . 1 . . . . . 96 ILE CB . 51283 1 210 . 1 . 1 75 75 ILE N N 15 120.7092 0.0000 . 1 . . . . . 96 ILE N . 51283 1 211 . 1 . 1 76 76 PHE H H 1 9.2139 0.0000 . 1 . . . . . 97 PHE H . 51283 1 212 . 1 . 1 76 76 PHE CA C 13 56.6360 0.0000 . 1 . . . . . 97 PHE CA . 51283 1 213 . 1 . 1 76 76 PHE CB C 13 43.3472 0.0000 . 1 . . . . . 97 PHE CB . 51283 1 214 . 1 . 1 76 76 PHE N N 15 124.6855 0.0000 . 1 . . . . . 97 PHE N . 51283 1 215 . 1 . 1 77 77 ARG H H 1 9.8867 0.0000 . 1 . . . . . 98 ARG H . 51283 1 216 . 1 . 1 77 77 ARG CA C 13 54.7376 0.0000 . 1 . . . . . 98 ARG CA . 51283 1 217 . 1 . 1 77 77 ARG CB C 13 34.9399 0.0000 . 1 . . . . . 98 ARG CB . 51283 1 218 . 1 . 1 77 77 ARG N N 15 122.4366 0.0000 . 1 . . . . . 98 ARG N . 51283 1 219 . 1 . 1 78 78 CYS H H 1 8.7692 0.0000 . 1 . . . . . 99 CYS H . 51283 1 220 . 1 . 1 78 78 CYS CA C 13 52.9070 0.0000 . 1 . . . . . 99 CYS CA . 51283 1 221 . 1 . 1 78 78 CYS CB C 13 46.8728 0.0000 . 1 . . . . . 99 CYS CB . 51283 1 222 . 1 . 1 78 78 CYS N N 15 122.8648 0.0000 . 1 . . . . . 99 CYS N . 51283 1 223 . 1 . 1 79 79 GLN H H 1 8.4434 0.0000 . 1 . . . . . 100 GLN H . 51283 1 224 . 1 . 1 79 79 GLN CA C 13 54.8723 0.0000 . 1 . . . . . 100 GLN CA . 51283 1 225 . 1 . 1 79 79 GLN CB C 13 31.4821 0.0000 . 1 . . . . . 100 GLN CB . 51283 1 226 . 1 . 1 79 79 GLN N N 15 127.6643 0.0000 . 1 . . . . . 100 GLN N . 51283 1 227 . 1 . 1 80 80 ALA H H 1 8.6644 0.0000 . 1 . . . . . 101 ALA H . 51283 1 228 . 1 . 1 80 80 ALA CA C 13 50.6018 0.0000 . 1 . . . . . 101 ALA CA . 51283 1 229 . 1 . 1 80 80 ALA CB C 13 22.8037 0.0000 . 1 . . . . . 101 ALA CB . 51283 1 230 . 1 . 1 80 80 ALA N N 15 127.1695 0.0000 . 1 . . . . . 101 ALA N . 51283 1 231 . 1 . 1 81 81 MET H H 1 8.0956 0.0000 . 1 . . . . . 102 MET H . 51283 1 232 . 1 . 1 81 81 MET CA C 13 54.0596 0.0000 . 1 . . . . . 102 MET CA . 51283 1 233 . 1 . 1 81 81 MET CB C 13 33.8551 0.0000 . 1 . . . . . 102 MET CB . 51283 1 234 . 1 . 1 81 81 MET N N 15 119.9232 0.0000 . 1 . . . . . 102 MET N . 51283 1 235 . 1 . 1 82 82 ASN H H 1 8.4461 0.0000 . 1 . . . . . 103 ASN H . 51283 1 236 . 1 . 1 82 82 ASN CA C 13 51.5510 0.0000 . 1 . . . . . 103 ASN CA . 51283 1 237 . 1 . 1 82 82 ASN CB C 13 39.3469 0.0000 . 1 . . . . . 103 ASN CB . 51283 1 238 . 1 . 1 82 82 ASN N N 15 122.9193 0.0000 . 1 . . . . . 103 ASN N . 51283 1 239 . 1 . 1 83 83 ARG CA C 13 58.5344 0.0000 . 1 . . . . . 104 ARG CA . 51283 1 240 . 1 . 1 83 83 ARG CB C 13 28.7871 0.0000 . 1 . . . . . 104 ARG CB . 51283 1 241 . 1 . 1 84 84 ASN H H 1 7.9832 0.0000 . 1 . . . . . 105 ASN H . 51283 1 242 . 1 . 1 84 84 ASN CA C 13 52.7714 0.0000 . 1 . . . . . 105 ASN CA . 51283 1 243 . 1 . 1 84 84 ASN CB C 13 38.8045 0.0000 . 1 . . . . . 105 ASN CB . 51283 1 244 . 1 . 1 84 84 ASN N N 15 115.9236 0.0000 . 1 . . . . . 105 ASN N . 51283 1 245 . 1 . 1 85 85 GLY H H 1 8.0541 0.0000 . 1 . . . . . 106 GLY H . 51283 1 246 . 1 . 1 85 85 GLY CA C 13 45.7880 0.0000 . 1 . . . . . 106 GLY CA . 51283 1 247 . 1 . 1 85 85 GLY N N 15 107.7798 0.0000 . 1 . . . . . 106 GLY N . 51283 1 248 . 1 . 1 86 86 LYS H H 1 7.7619 0.0000 . 1 . . . . . 107 LYS H . 51283 1 249 . 1 . 1 86 86 LYS CA C 13 55.0766 0.0000 . 1 . . . . . 107 LYS CA . 51283 1 250 . 1 . 1 86 86 LYS CB C 13 33.3805 0.0000 . 1 . . . . . 107 LYS CB . 51283 1 251 . 1 . 1 86 86 LYS N N 15 120.5686 0.0000 . 1 . . . . . 107 LYS N . 51283 1 252 . 1 . 1 87 87 GLU H H 1 8.7387 0.0000 . 1 . . . . . 108 GLU H . 51283 1 253 . 1 . 1 87 87 GLU CA C 13 55.7546 0.0000 . 1 . . . . . 108 GLU CA . 51283 1 254 . 1 . 1 87 87 GLU CB C 13 32.0245 0.0000 . 1 . . . . . 108 GLU CB . 51283 1 255 . 1 . 1 87 87 GLU N N 15 125.8811 0.0000 . 1 . . . . . 108 GLU N . 51283 1 256 . 1 . 1 88 88 THR H H 1 9.0248 0.0000 . 1 . . . . . 109 THR H . 51283 1 257 . 1 . 1 88 88 THR CA C 13 61.9922 0.0000 . 1 . . . . . 109 THR CA . 51283 1 258 . 1 . 1 88 88 THR CB C 13 70.5351 0.0000 . 1 . . . . . 109 THR CB . 51283 1 259 . 1 . 1 88 88 THR N N 15 121.2615 0.0000 . 1 . . . . . 109 THR N . 51283 1 260 . 1 . 1 89 89 LYS H H 1 8.8022 0.0000 . 1 . . . . . 110 LYS H . 51283 1 261 . 1 . 1 89 89 LYS CA C 13 55.4834 0.0000 . 1 . . . . . 110 LYS CA . 51283 1 262 . 1 . 1 89 89 LYS CB C 13 35.0077 0.0000 . 1 . . . . . 110 LYS CB . 51283 1 263 . 1 . 1 89 89 LYS N N 15 127.2112 0.0000 . 1 . . . . . 110 LYS N . 51283 1 264 . 1 . 1 91 91 ASN CA C 13 52.7714 0.0000 . 1 . . . . . 112 ASN CA . 51283 1 265 . 1 . 1 91 91 ASN CB C 13 41.7199 0.0000 . 1 . . . . . 112 ASN CB . 51283 1 266 . 1 . 1 92 92 TYR H H 1 9.6515 0.0000 . 1 . . . . . 113 TYR H . 51283 1 267 . 1 . 1 92 92 TYR CA C 13 56.9072 0.0000 . 1 . . . . . 113 TYR CA . 51283 1 268 . 1 . 1 92 92 TYR CB C 13 42.1268 0.0000 . 1 . . . . . 113 TYR CB . 51283 1 269 . 1 . 1 92 92 TYR N N 15 122.2828 0.0000 . 1 . . . . . 113 TYR N . 51283 1 270 . 1 . 1 93 93 ARG H H 1 9.0260 0.0000 . 1 . . . . . 114 ARG H . 51283 1 271 . 1 . 1 93 93 ARG CA C 13 54.8732 0.0000 . 1 . . . . . 114 ARG CA . 51283 1 272 . 1 . 1 93 93 ARG CB C 13 31.6177 0.0000 . 1 . . . . . 114 ARG CB . 51283 1 273 . 1 . 1 93 93 ARG N N 15 124.5241 0.0000 . 1 . . . . . 114 ARG N . 51283 1 274 . 1 . 1 94 94 VAL H H 1 9.2535 0.0000 . 1 . . . . . 115 VAL H . 51283 1 275 . 1 . 1 94 94 VAL CA C 13 62.1278 0.0000 . 1 . . . . . 115 VAL CA . 51283 1 276 . 1 . 1 94 94 VAL CB C 13 33.5839 0.0000 . 1 . . . . . 115 VAL CB . 51283 1 277 . 1 . 1 94 94 VAL N N 15 128.7392 0.0000 . 1 . . . . . 115 VAL N . 51283 1 278 . 1 . 1 95 95 ARG H H 1 8.7663 0.0000 . 1 . . . . . 116 ARG H . 51283 1 279 . 1 . 1 95 95 ARG CA C 13 54.1952 0.0000 . 1 . . . . . 116 ARG CA . 51283 1 280 . 1 . 1 95 95 ARG CB C 13 33.1093 0.0000 . 1 . . . . . 116 ARG CB . 51283 1 281 . 1 . 1 95 95 ARG N N 15 128.3492 0.0000 . 1 . . . . . 116 ARG N . 51283 1 282 . 1 . 1 96 96 VAL H H 1 9.2754 0.0000 . 1 . . . . . 117 VAL H . 51283 1 283 . 1 . 1 96 96 VAL CA C 13 60.4328 0.0000 . 1 . . . . . 117 VAL CA . 51283 1 284 . 1 . 1 96 96 VAL CB C 13 33.4483 0.0000 . 1 . . . . . 117 VAL CB . 51283 1 285 . 1 . 1 96 96 VAL N N 15 120.8168 0.0000 . 1 . . . . . 117 VAL N . 51283 1 286 . 1 . 1 97 97 TYR H H 1 8.4944 0.0000 . 1 . . . . . 118 TYR H . 51283 1 287 . 1 . 1 97 97 TYR CA C 13 56.9072 0.0000 . 1 . . . . . 118 TYR CA . 51283 1 288 . 1 . 1 97 97 TYR CB C 13 40.6351 0.0000 . 1 . . . . . 118 TYR CB . 51283 1 289 . 1 . 1 97 97 TYR N N 15 124.0696 0.0000 . 1 . . . . . 118 TYR N . 51283 1 290 . 1 . 1 98 98 GLN H H 1 8.3668 0.0000 . 1 . . . . . 119 GLN H . 51283 1 291 . 1 . 1 98 98 GLN CA C 13 54.9410 0.0000 . 1 . . . . . 119 GLN CA . 51283 1 292 . 1 . 1 98 98 GLN CB C 13 30.7363 0.0000 . 1 . . . . . 119 GLN CB . 51283 1 293 . 1 . 1 98 98 GLN N N 15 122.2110 0.0000 . 1 . . . . . 119 GLN N . 51283 1 294 . 1 . 1 99 99 ILE H H 1 8.2386 0.0000 . 1 . . . . . 120 ILE H . 51283 1 295 . 1 . 1 99 99 ILE CA C 13 59.0090 0.0000 . 1 . . . . . 120 ILE CA . 51283 1 296 . 1 . 1 99 99 ILE CB C 13 38.8045 0.0000 . 1 . . . . . 120 ILE CB . 51283 1 297 . 1 . 1 99 99 ILE N N 15 123.4624 0.0000 . 1 . . . . . 120 ILE N . 51283 1 298 . 1 . 1 100 100 PRO CA C 13 63.3482 0.0000 . 1 . . . . . 121 PRO CA . 51283 1 299 . 1 . 1 100 100 PRO CB C 13 32.1601 0.0000 . 1 . . . . . 121 PRO CB . 51283 1 300 . 1 . 1 101 101 GLY H H 1 8.3700 0.0000 . 1 . . . . . 122 GLY H . 51283 1 301 . 1 . 1 101 101 GLY CA C 13 45.0422 0.0000 . 1 . . . . . 122 GLY CA . 51283 1 302 . 1 . 1 101 101 GLY N N 15 109.3881 0.0000 . 1 . . . . . 122 GLY N . 51283 1 303 . 1 . 1 102 102 LYS H H 1 8.0806 0.0000 . 1 . . . . . 123 LYS H . 51283 1 304 . 1 . 1 102 102 LYS CA C 13 54.1274 0.0000 . 1 . . . . . 123 LYS CA . 51283 1 305 . 1 . 1 102 102 LYS CB C 13 32.8381 0.0000 . 1 . . . . . 123 LYS CB . 51283 1 306 . 1 . 1 102 102 LYS N N 15 122.0496 0.0000 . 1 . . . . . 123 LYS N . 51283 1 307 . 1 . 1 103 103 PRO CA C 13 63.4838 0.0000 . 1 . . . . . 124 PRO CA . 51283 1 308 . 1 . 1 103 103 PRO CB C 13 31.8211 0.0000 . 1 . . . . . 124 PRO CB . 51283 1 309 . 1 . 1 104 104 GLU H H 1 7.9694 0.0000 . 1 . . . . . 125 GLU H . 51283 1 310 . 1 . 1 104 104 GLU CA C 13 57.9920 0.0000 . 1 . . . . . 125 GLU CA . 51283 1 311 . 1 . 1 104 104 GLU CB C 13 31.4821 0.0000 . 1 . . . . . 125 GLU CB . 51283 1 312 . 1 . 1 104 104 GLU N N 15 126.2872 0.0000 . 1 . . . . . 125 GLU N . 51283 1 stop_ save_