data_50098 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50098 _Entry.Title ; Nipah virus phosphoprotein, residues 1-100 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-29 _Entry.Accession_date 2019-11-29 _Entry.Last_release_date 2019-12-02 _Entry.Original_release_date 2019-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _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 Malene Jensen . . . . 50098 2 Martin Blackledge . . . . 50098 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale, Grenoble, France' . 50098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 50098 '15N chemical shifts' 97 50098 '1H chemical shifts' 97 50098 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 2 . . 2020-05-29 2019-11-29 update BMRB 'update entry citation' 50098 1 . . 2020-01-10 2019-11-29 original author 'original release' 50098 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50099 'Nipah virus phosphoprotein residues 91-190' 50098 BMRB 50100 'Nipah virus phosphoprotein residues 173-240' 50098 BMRB 50101 'Nipah virus phosphoprotein residues 223-319' 50098 BMRB 50102 'Nipah virus phosphoprotein residues 299-401' 50098 BMRB 50103 'Nipah virus phosphoprotein residues 387-479' 50098 BMRB 50105 'Nipah virus phosphoprotein residues 588-650' 50098 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50098 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32348724 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Description of the Nipah Virus Phosphoprotein and Its Interaction With STAT1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 118 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 2470 _Citation.Page_last 2488 _Citation.Year 2020 _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 'Malene Ringkjybing' Jensen M. R. . . 50098 1 2 Filip Yabukarski F. . . . 50098 1 3 Guillaume Communie G. . . . 50098 1 4 Eric Condamine E. . . . 50098 1 5 Caroline Mas C. . . . 50098 1 6 Valentina Volchkova V. . . . 50098 1 7 Nicolas Tarbouriech N. . . . 50098 1 8 Jean-Marie Bourhis J. M. . . 50098 1 9 Viktor Volchkov V. . . . 50098 1 10 Martin Blackledge M. . . . 50098 1 11 Marc Jamin M. . . . 50098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50098 _Assembly.ID 1 _Assembly.Name 'Nipah virus phosphoprotein, residues 1-100' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'Nipah virus phosphoprotein' 1 $entity_1 . . yes native no no . . . 50098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Nipah virus phosphoprotein, residues 1-100' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDKLELVNDGLNIIDFIQKN QKEIQKTYGRSSIQQPSIKD QTKAWEDFLQCTSGESEQVE GGMSKDDGDVERRNLEDLSS TSPTDGTIGKRVSNTRDWAE LEHHHHHH ; _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 108 _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 . MET . 50098 1 2 . ASP . 50098 1 3 . LYS . 50098 1 4 . LEU . 50098 1 5 . GLU . 50098 1 6 . LEU . 50098 1 7 . VAL . 50098 1 8 . ASN . 50098 1 9 . ASP . 50098 1 10 . GLY . 50098 1 11 . LEU . 50098 1 12 . ASN . 50098 1 13 . ILE . 50098 1 14 . ILE . 50098 1 15 . ASP . 50098 1 16 . PHE . 50098 1 17 . ILE . 50098 1 18 . GLN . 50098 1 19 . LYS . 50098 1 20 . ASN . 50098 1 21 . GLN . 50098 1 22 . LYS . 50098 1 23 . GLU . 50098 1 24 . ILE . 50098 1 25 . GLN . 50098 1 26 . LYS . 50098 1 27 . THR . 50098 1 28 . TYR . 50098 1 29 . GLY . 50098 1 30 . ARG . 50098 1 31 . SER . 50098 1 32 . SER . 50098 1 33 . ILE . 50098 1 34 . GLN . 50098 1 35 . GLN . 50098 1 36 . PRO . 50098 1 37 . SER . 50098 1 38 . ILE . 50098 1 39 . LYS . 50098 1 40 . ASP . 50098 1 41 . GLN . 50098 1 42 . THR . 50098 1 43 . LYS . 50098 1 44 . ALA . 50098 1 45 . TRP . 50098 1 46 . GLU . 50098 1 47 . ASP . 50098 1 48 . PHE . 50098 1 49 . LEU . 50098 1 50 . GLN . 50098 1 51 . CYS . 50098 1 52 . THR . 50098 1 53 . SER . 50098 1 54 . GLY . 50098 1 55 . GLU . 50098 1 56 . SER . 50098 1 57 . GLU . 50098 1 58 . GLN . 50098 1 59 . VAL . 50098 1 60 . GLU . 50098 1 61 . GLY . 50098 1 62 . GLY . 50098 1 63 . MET . 50098 1 64 . SER . 50098 1 65 . LYS . 50098 1 66 . ASP . 50098 1 67 . ASP . 50098 1 68 . GLY . 50098 1 69 . ASP . 50098 1 70 . VAL . 50098 1 71 . GLU . 50098 1 72 . ARG . 50098 1 73 . ARG . 50098 1 74 . ASN . 50098 1 75 . LEU . 50098 1 76 . GLU . 50098 1 77 . ASP . 50098 1 78 . LEU . 50098 1 79 . SER . 50098 1 80 . SER . 50098 1 81 . THR . 50098 1 82 . SER . 50098 1 83 . PRO . 50098 1 84 . THR . 50098 1 85 . ASP . 50098 1 86 . GLY . 50098 1 87 . THR . 50098 1 88 . ILE . 50098 1 89 . GLY . 50098 1 90 . LYS . 50098 1 91 . ARG . 50098 1 92 . VAL . 50098 1 93 . SER . 50098 1 94 . ASN . 50098 1 95 . THR . 50098 1 96 . ARG . 50098 1 97 . ASP . 50098 1 98 . TRP . 50098 1 99 . ALA . 50098 1 100 . GLU . 50098 1 101 . LEU . 50098 1 102 . GLU . 50098 1 103 . HIS . 50098 1 104 . HIS . 50098 1 105 . HIS . 50098 1 106 . HIS . 50098 1 107 . HIS . 50098 1 108 . HIS . 50098 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 50098 1 . ASP 2 2 50098 1 . LYS 3 3 50098 1 . LEU 4 4 50098 1 . GLU 5 5 50098 1 . LEU 6 6 50098 1 . VAL 7 7 50098 1 . ASN 8 8 50098 1 . ASP 9 9 50098 1 . GLY 10 10 50098 1 . LEU 11 11 50098 1 . ASN 12 12 50098 1 . ILE 13 13 50098 1 . ILE 14 14 50098 1 . ASP 15 15 50098 1 . PHE 16 16 50098 1 . ILE 17 17 50098 1 . GLN 18 18 50098 1 . LYS 19 19 50098 1 . ASN 20 20 50098 1 . GLN 21 21 50098 1 . LYS 22 22 50098 1 . GLU 23 23 50098 1 . ILE 24 24 50098 1 . GLN 25 25 50098 1 . LYS 26 26 50098 1 . THR 27 27 50098 1 . TYR 28 28 50098 1 . GLY 29 29 50098 1 . ARG 30 30 50098 1 . SER 31 31 50098 1 . SER 32 32 50098 1 . ILE 33 33 50098 1 . GLN 34 34 50098 1 . GLN 35 35 50098 1 . PRO 36 36 50098 1 . SER 37 37 50098 1 . ILE 38 38 50098 1 . LYS 39 39 50098 1 . ASP 40 40 50098 1 . GLN 41 41 50098 1 . THR 42 42 50098 1 . LYS 43 43 50098 1 . ALA 44 44 50098 1 . TRP 45 45 50098 1 . GLU 46 46 50098 1 . ASP 47 47 50098 1 . PHE 48 48 50098 1 . LEU 49 49 50098 1 . GLN 50 50 50098 1 . CYS 51 51 50098 1 . THR 52 52 50098 1 . SER 53 53 50098 1 . GLY 54 54 50098 1 . GLU 55 55 50098 1 . SER 56 56 50098 1 . GLU 57 57 50098 1 . GLN 58 58 50098 1 . VAL 59 59 50098 1 . GLU 60 60 50098 1 . GLY 61 61 50098 1 . GLY 62 62 50098 1 . MET 63 63 50098 1 . SER 64 64 50098 1 . LYS 65 65 50098 1 . ASP 66 66 50098 1 . ASP 67 67 50098 1 . GLY 68 68 50098 1 . ASP 69 69 50098 1 . VAL 70 70 50098 1 . GLU 71 71 50098 1 . ARG 72 72 50098 1 . ARG 73 73 50098 1 . ASN 74 74 50098 1 . LEU 75 75 50098 1 . GLU 76 76 50098 1 . ASP 77 77 50098 1 . LEU 78 78 50098 1 . SER 79 79 50098 1 . SER 80 80 50098 1 . THR 81 81 50098 1 . SER 82 82 50098 1 . PRO 83 83 50098 1 . THR 84 84 50098 1 . ASP 85 85 50098 1 . GLY 86 86 50098 1 . THR 87 87 50098 1 . ILE 88 88 50098 1 . GLY 89 89 50098 1 . LYS 90 90 50098 1 . ARG 91 91 50098 1 . VAL 92 92 50098 1 . SER 93 93 50098 1 . ASN 94 94 50098 1 . THR 95 95 50098 1 . ARG 96 96 50098 1 . ASP 97 97 50098 1 . TRP 98 98 50098 1 . ALA 99 99 50098 1 . GLU 100 100 50098 1 . LEU 101 101 50098 1 . GLU 102 102 50098 1 . HIS 103 103 50098 1 . HIS 104 104 50098 1 . HIS 105 105 50098 1 . HIS 106 106 50098 1 . HIS 107 107 50098 1 . HIS 108 108 50098 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 50098 _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 . 121791 virus . 'Nipah virus' 'Nipah virus' . . Virus . henipavirus 'Nipah virus' . . . . . . . . . . . . . 50098 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 50098 _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' . . . . . . . . plasmid . . na . . . 50098 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50098 _Sample.ID 1 _Sample.Name . _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 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50098 1 2 'Bis-Tris ph 6.0' 'natural abundance' . . . . . . 20 . . mM . . . . 50098 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50098 1 4 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 50098 1 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 50098 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50098 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 50098 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 150 . mM 50098 1 pH 6.0 . pH 50098 1 pressure 1 . atm 50098 1 temperature 298 . K 50098 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50098 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50098 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 50098 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 50098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 50098 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50098 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50098 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50098 1 4 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50098 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50098 1 6 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50098 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50098 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 50098 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.774 internal indirect 0.251449530 . . . . . 50098 1 H 1 water protons . . . . ppm 4.774 internal direct 1 . . . . . 50098 1 N 15 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 50098 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 50098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 50098 1 2 '3D HNCO' . . . 50098 1 3 '3D HNCACO' . . . 50098 1 4 '3D HNCOCA' . . . 50098 1 5 '3D HNCA' . . . 50098 1 6 '3D HNCOCACB' . . . 50098 1 7 '3D HNCACB' . . . 50098 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 ASP H H 1 8.822 . . 1 . . . . . 2 D HN . 50098 1 2 . 1 . 1 2 2 ASP C C 13 175.636 . . 1 . . . . . 2 D CO . 50098 1 3 . 1 . 1 2 2 ASP CA C 13 54.424 . . 1 . . . . . 2 D CA . 50098 1 4 . 1 . 1 2 2 ASP CB C 13 41.520 . . 1 . . . . . 2 D CB . 50098 1 5 . 1 . 1 2 2 ASP N N 15 124.809 . . 1 . . . . . 2 D N . 50098 1 6 . 1 . 1 3 3 LYS H H 1 8.436 . . 1 . . . . . 3 K HN . 50098 1 7 . 1 . 1 3 3 LYS C C 13 176.409 . . 1 . . . . . 3 K CO . 50098 1 8 . 1 . 1 3 3 LYS CA C 13 56.756 . . 1 . . . . . 3 K CA . 50098 1 9 . 1 . 1 3 3 LYS CB C 13 32.932 . . 1 . . . . . 3 K CB . 50098 1 10 . 1 . 1 3 3 LYS N N 15 122.036 . . 1 . . . . . 3 K N . 50098 1 11 . 1 . 1 4 4 LEU H H 1 8.333 . . 1 . . . . . 4 L HN . 50098 1 12 . 1 . 1 4 4 LEU C C 13 177.289 . . 1 . . . . . 4 L CO . 50098 1 13 . 1 . 1 4 4 LEU CA C 13 55.442 . . 1 . . . . . 4 L CA . 50098 1 14 . 1 . 1 4 4 LEU CB C 13 42.173 . . 1 . . . . . 4 L CB . 50098 1 15 . 1 . 1 4 4 LEU N N 15 123.339 . . 1 . . . . . 4 L N . 50098 1 16 . 1 . 1 5 5 GLU H H 1 8.344 . . 1 . . . . . 5 E HN . 50098 1 17 . 1 . 1 5 5 GLU C C 13 176.150 . . 1 . . . . . 5 E CO . 50098 1 18 . 1 . 1 5 5 GLU CA C 13 56.435 . . 1 . . . . . 5 E CA . 50098 1 19 . 1 . 1 5 5 GLU CB C 13 30.108 . . 1 . . . . . 5 E CB . 50098 1 20 . 1 . 1 5 5 GLU N N 15 121.788 . . 1 . . . . . 5 E N . 50098 1 21 . 1 . 1 6 6 LEU H H 1 8.169 . . 1 . . . . . 6 L HN . 50098 1 22 . 1 . 1 6 6 LEU C C 13 177.259 . . 1 . . . . . 6 L CO . 50098 1 23 . 1 . 1 6 6 LEU CA C 13 55.172 . . 1 . . . . . 6 L CA . 50098 1 24 . 1 . 1 6 6 LEU CB C 13 42.332 . . 1 . . . . . 6 L CB . 50098 1 25 . 1 . 1 6 6 LEU N N 15 123.068 . . 1 . . . . . 6 L N . 50098 1 26 . 1 . 1 7 7 VAL H H 1 8.081 . . 1 . . . . . 7 V HN . 50098 1 27 . 1 . 1 7 7 VAL C C 13 175.991 . . 1 . . . . . 7 V CO . 50098 1 28 . 1 . 1 7 7 VAL CA C 13 62.462 . . 1 . . . . . 7 V CA . 50098 1 29 . 1 . 1 7 7 VAL CB C 13 32.746 . . 1 . . . . . 7 V CB . 50098 1 30 . 1 . 1 7 7 VAL N N 15 120.827 . . 1 . . . . . 7 V N . 50098 1 31 . 1 . 1 8 8 ASN H H 1 8.511 . . 1 . . . . . 8 N HN . 50098 1 32 . 1 . 1 8 8 ASN C C 13 174.980 . . 1 . . . . . 8 N CO . 50098 1 33 . 1 . 1 8 8 ASN CA C 13 53.296 . . 1 . . . . . 8 N CA . 50098 1 34 . 1 . 1 8 8 ASN CB C 13 38.929 . . 1 . . . . . 8 N CB . 50098 1 35 . 1 . 1 8 8 ASN N N 15 122.477 . . 1 . . . . . 8 N N . 50098 1 36 . 1 . 1 9 9 ASP H H 1 8.335 . . 1 . . . . . 9 D HN . 50098 1 37 . 1 . 1 9 9 ASP C C 13 176.683 . . 1 . . . . . 9 D CO . 50098 1 38 . 1 . 1 9 9 ASP CA C 13 54.612 . . 1 . . . . . 9 D CA . 50098 1 39 . 1 . 1 9 9 ASP CB C 13 40.939 . . 1 . . . . . 9 D CB . 50098 1 40 . 1 . 1 9 9 ASP N N 15 121.056 . . 1 . . . . . 9 D N . 50098 1 41 . 1 . 1 10 10 GLY H H 1 8.331 . . 1 . . . . . 10 G HN . 50098 1 42 . 1 . 1 10 10 GLY C C 13 174.325 . . 1 . . . . . 10 G CO . 50098 1 43 . 1 . 1 10 10 GLY CA C 13 45.735 . . 1 . . . . . 10 G CA . 50098 1 44 . 1 . 1 10 10 GLY N N 15 108.573 . . 1 . . . . . 10 G N . 50098 1 45 . 1 . 1 11 11 LEU H H 1 8.010 . . 1 . . . . . 11 L HN . 50098 1 46 . 1 . 1 11 11 LEU C C 13 177.089 . . 1 . . . . . 11 L CO . 50098 1 47 . 1 . 1 11 11 LEU CA C 13 55.346 . . 1 . . . . . 11 L CA . 50098 1 48 . 1 . 1 11 11 LEU CB C 13 42.448 . . 1 . . . . . 11 L CB . 50098 1 49 . 1 . 1 11 11 LEU N N 15 121.139 . . 1 . . . . . 11 L N . 50098 1 50 . 1 . 1 12 12 ASN H H 1 8.513 . . 1 . . . . . 12 N HN . 50098 1 51 . 1 . 1 12 12 ASN C C 13 175.192 . . 1 . . . . . 12 N CO . 50098 1 52 . 1 . 1 12 12 ASN CA C 13 53.289 . . 1 . . . . . 12 N CA . 50098 1 53 . 1 . 1 12 12 ASN CB C 13 38.805 . . 1 . . . . . 12 N CB . 50098 1 54 . 1 . 1 12 12 ASN N N 15 119.624 . . 1 . . . . . 12 N N . 50098 1 55 . 1 . 1 13 13 ILE H H 1 8.092 . . 1 . . . . . 13 I HN . 50098 1 56 . 1 . 1 13 13 ILE C C 13 176.360 . . 1 . . . . . 13 I CO . 50098 1 57 . 1 . 1 13 13 ILE CA C 13 61.890 . . 1 . . . . . 13 I CA . 50098 1 58 . 1 . 1 13 13 ILE CB C 13 38.539 . . 1 . . . . . 13 I CB . 50098 1 59 . 1 . 1 13 13 ILE N N 15 121.420 . . 1 . . . . . 13 I N . 50098 1 60 . 1 . 1 14 14 ILE H H 1 8.066 . . 1 . . . . . 14 I HN . 50098 1 61 . 1 . 1 14 14 ILE C C 13 176.279 . . 1 . . . . . 14 I CO . 50098 1 62 . 1 . 1 14 14 ILE CA C 13 61.905 . . 1 . . . . . 14 I CA . 50098 1 63 . 1 . 1 14 14 ILE CB C 13 38.463 . . 1 . . . . . 14 I CB . 50098 1 64 . 1 . 1 14 14 ILE N N 15 123.593 . . 1 . . . . . 14 I N . 50098 1 65 . 1 . 1 15 15 ASP H H 1 8.110 . . 1 . . . . . 15 D HN . 50098 1 66 . 1 . 1 15 15 ASP C C 13 176.297 . . 1 . . . . . 15 D CO . 50098 1 67 . 1 . 1 15 15 ASP CA C 13 54.895 . . 1 . . . . . 15 D CA . 50098 1 68 . 1 . 1 15 15 ASP CB C 13 41.111 . . 1 . . . . . 15 D CB . 50098 1 69 . 1 . 1 15 15 ASP N N 15 122.785 . . 1 . . . . . 15 D N . 50098 1 70 . 1 . 1 16 16 PHE H H 1 8.062 . . 1 . . . . . 16 F HN . 50098 1 71 . 1 . 1 16 16 PHE C C 13 176.199 . . 1 . . . . . 16 F CO . 50098 1 72 . 1 . 1 16 16 PHE CA C 13 59.022 . . 1 . . . . . 16 F CA . 50098 1 73 . 1 . 1 16 16 PHE CB C 13 39.377 . . 1 . . . . . 16 F CB . 50098 1 74 . 1 . 1 16 16 PHE N N 15 120.356 . . 1 . . . . . 16 F N . 50098 1 75 . 1 . 1 17 17 ILE H H 1 8.042 . . 1 . . . . . 17 I HN . 50098 1 76 . 1 . 1 17 17 ILE C C 13 176.747 . . 1 . . . . . 17 I CO . 50098 1 77 . 1 . 1 17 17 ILE CA C 13 62.188 . . 1 . . . . . 17 I CA . 50098 1 78 . 1 . 1 17 17 ILE N N 15 121.756 . . 1 . . . . . 17 I N . 50098 1 79 . 1 . 1 18 18 GLN H H 1 8.257 . . 1 . . . . . 18 Q HN . 50098 1 80 . 1 . 1 18 18 GLN C C 13 176.756 . . 1 . . . . . 18 Q CO . 50098 1 81 . 1 . 1 18 18 GLN CA C 13 56.621 . . 1 . . . . . 18 Q CA . 50098 1 82 . 1 . 1 18 18 GLN CB C 13 29.126 . . 1 . . . . . 18 Q CB . 50098 1 83 . 1 . 1 18 18 GLN N N 15 122.519 . . 1 . . . . . 18 Q N . 50098 1 84 . 1 . 1 19 19 LYS H H 1 8.231 . . 1 . . . . . 19 K HN . 50098 1 85 . 1 . 1 19 19 LYS C C 13 176.811 . . 1 . . . . . 19 K CO . 50098 1 86 . 1 . 1 19 19 LYS CA C 13 57.273 . . 1 . . . . . 19 K CA . 50098 1 87 . 1 . 1 19 19 LYS CB C 13 32.928 . . 1 . . . . . 19 K CB . 50098 1 88 . 1 . 1 19 19 LYS N N 15 121.544 . . 1 . . . . . 19 K N . 50098 1 89 . 1 . 1 20 20 ASN H H 1 8.260 . . 1 . . . . . 20 N HN . 50098 1 90 . 1 . 1 20 20 ASN C C 13 175.471 . . 1 . . . . . 20 N CO . 50098 1 91 . 1 . 1 20 20 ASN CA C 13 53.674 . . 1 . . . . . 20 N CA . 50098 1 92 . 1 . 1 20 20 ASN CB C 13 38.729 . . 1 . . . . . 20 N CB . 50098 1 93 . 1 . 1 20 20 ASN N N 15 118.489 . . 1 . . . . . 20 N N . 50098 1 94 . 1 . 1 21 21 GLN H H 1 8.214 . . 1 . . . . . 21 Q HN . 50098 1 95 . 1 . 1 21 21 GLN C C 13 176.406 . . 1 . . . . . 21 Q CO . 50098 1 96 . 1 . 1 21 21 GLN CA C 13 56.867 . . 1 . . . . . 21 Q CA . 50098 1 97 . 1 . 1 21 21 GLN CB C 13 29.160 . . 1 . . . . . 21 Q CB . 50098 1 98 . 1 . 1 21 21 GLN N N 15 120.399 . . 1 . . . . . 21 Q N . 50098 1 99 . 1 . 1 22 22 LYS H H 1 8.247 . . 1 . . . . . 22 K HN . 50098 1 100 . 1 . 1 22 22 LYS C C 13 177.117 . . 1 . . . . . 22 K CO . 50098 1 101 . 1 . 1 22 22 LYS CA C 13 57.263 . . 1 . . . . . 22 K CA . 50098 1 102 . 1 . 1 22 22 LYS CB C 13 32.727 . . 1 . . . . . 22 K CB . 50098 1 103 . 1 . 1 22 22 LYS N N 15 121.064 . . 1 . . . . . 22 K N . 50098 1 104 . 1 . 1 23 23 GLU H H 1 8.217 . . 1 . . . . . 23 E HN . 50098 1 105 . 1 . 1 23 23 GLU C C 13 177.037 . . 1 . . . . . 23 E CO . 50098 1 106 . 1 . 1 23 23 GLU CA C 13 56.957 . . 1 . . . . . 23 E CA . 50098 1 107 . 1 . 1 23 23 GLU CB C 13 29.846 . . 1 . . . . . 23 E CB . 50098 1 108 . 1 . 1 23 23 GLU N N 15 120.917 . . 1 . . . . . 23 E N . 50098 1 109 . 1 . 1 24 24 ILE H H 1 8.119 . . 1 . . . . . 24 I HN . 50098 1 110 . 1 . 1 24 24 ILE C C 13 176.672 . . 1 . . . . . 24 I CO . 50098 1 111 . 1 . 1 24 24 ILE CA C 13 61.919 . . 1 . . . . . 24 I CA . 50098 1 112 . 1 . 1 24 24 ILE CB C 13 38.642 . . 1 . . . . . 24 I CB . 50098 1 113 . 1 . 1 24 24 ILE N N 15 121.826 . . 1 . . . . . 24 I N . 50098 1 114 . 1 . 1 25 25 GLN H H 1 8.335 . . 1 . . . . . 25 Q HN . 50098 1 115 . 1 . 1 25 25 GLN C C 13 176.291 . . 1 . . . . . 25 Q CO . 50098 1 116 . 1 . 1 25 25 GLN CA C 13 56.344 . . 1 . . . . . 25 Q CA . 50098 1 117 . 1 . 1 25 25 GLN CB C 13 29.157 . . 1 . . . . . 25 Q CB . 50098 1 118 . 1 . 1 25 25 GLN N N 15 123.452 . . 1 . . . . . 25 Q N . 50098 1 119 . 1 . 1 26 26 LYS H H 1 8.222 . . 1 . . . . . 26 K HN . 50098 1 120 . 1 . 1 26 26 LYS C C 13 176.750 . . 1 . . . . . 26 K CO . 50098 1 121 . 1 . 1 26 26 LYS CA C 13 56.880 . . 1 . . . . . 26 K CA . 50098 1 122 . 1 . 1 26 26 LYS CB C 13 32.979 . . 1 . . . . . 26 K CB . 50098 1 123 . 1 . 1 26 26 LYS N N 15 122.274 . . 1 . . . . . 26 K N . 50098 1 124 . 1 . 1 27 27 THR H H 1 8.003 . . 1 . . . . . 27 T HN . 50098 1 125 . 1 . 1 27 27 THR C C 13 174.334 . . 1 . . . . . 27 T CO . 50098 1 126 . 1 . 1 27 27 THR CA C 13 62.079 . . 1 . . . . . 27 T CA . 50098 1 127 . 1 . 1 27 27 THR CB C 13 69.535 . . 1 . . . . . 27 T CB . 50098 1 128 . 1 . 1 27 27 THR N N 15 114.233 . . 1 . . . . . 27 T N . 50098 1 129 . 1 . 1 28 28 TYR H H 1 8.203 . . 1 . . . . . 28 Y HN . 50098 1 130 . 1 . 1 28 28 TYR C C 13 176.352 . . 1 . . . . . 28 Y CO . 50098 1 131 . 1 . 1 28 28 TYR CA C 13 58.145 . . 1 . . . . . 28 Y CA . 50098 1 132 . 1 . 1 28 28 TYR CB C 13 38.879 . . 1 . . . . . 28 Y CB . 50098 1 133 . 1 . 1 28 28 TYR N N 15 121.957 . . 1 . . . . . 28 Y N . 50098 1 134 . 1 . 1 29 29 GLY H H 1 8.306 . . 1 . . . . . 29 G HN . 50098 1 135 . 1 . 1 29 29 GLY C C 13 174.124 . . 1 . . . . . 29 G CO . 50098 1 136 . 1 . 1 29 29 GLY CA C 13 45.448 . . 1 . . . . . 29 G CA . 50098 1 137 . 1 . 1 29 29 GLY N N 15 110.264 . . 1 . . . . . 29 G N . 50098 1 138 . 1 . 1 30 30 ARG H H 1 8.160 . . 1 . . . . . 30 R HN . 50098 1 139 . 1 . 1 30 30 ARG C C 13 176.515 . . 1 . . . . . 30 R CO . 50098 1 140 . 1 . 1 30 30 ARG CA C 13 56.223 . . 1 . . . . . 30 R CA . 50098 1 141 . 1 . 1 30 30 ARG CB C 13 30.896 . . 1 . . . . . 30 R CB . 50098 1 142 . 1 . 1 30 30 ARG N N 15 120.482 . . 1 . . . . . 30 R N . 50098 1 143 . 1 . 1 31 31 SER H H 1 8.413 . . 1 . . . . . 31 S HN . 50098 1 144 . 1 . 1 31 31 SER C C 13 174.606 . . 1 . . . . . 31 S CO . 50098 1 145 . 1 . 1 31 31 SER CA C 13 58.459 . . 1 . . . . . 31 S CA . 50098 1 146 . 1 . 1 31 31 SER CB C 13 63.857 . . 1 . . . . . 31 S CB . 50098 1 147 . 1 . 1 31 31 SER N N 15 116.786 . . 1 . . . . . 31 S N . 50098 1 148 . 1 . 1 32 32 SER H H 1 8.337 . . 1 . . . . . 32 S HN . 50098 1 149 . 1 . 1 32 32 SER C C 13 174.416 . . 1 . . . . . 32 S CO . 50098 1 150 . 1 . 1 32 32 SER CA C 13 58.485 . . 1 . . . . . 32 S CA . 50098 1 151 . 1 . 1 32 32 SER CB C 13 63.835 . . 1 . . . . . 32 S CB . 50098 1 152 . 1 . 1 32 32 SER N N 15 117.821 . . 1 . . . . . 32 S N . 50098 1 153 . 1 . 1 33 33 ILE H H 1 8.055 . . 1 . . . . . 33 I HN . 50098 1 154 . 1 . 1 33 33 ILE C C 13 176.115 . . 1 . . . . . 33 I CO . 50098 1 155 . 1 . 1 33 33 ILE CA C 13 61.279 . . 1 . . . . . 33 I CA . 50098 1 156 . 1 . 1 33 33 ILE CB C 13 38.709 . . 1 . . . . . 33 I CB . 50098 1 157 . 1 . 1 33 33 ILE N N 15 121.748 . . 1 . . . . . 33 I N . 50098 1 158 . 1 . 1 34 34 GLN H H 1 8.349 . . 1 . . . . . 34 Q HN . 50098 1 159 . 1 . 1 34 34 GLN C C 13 175.530 . . 1 . . . . . 34 Q CO . 50098 1 160 . 1 . 1 34 34 GLN CA C 13 55.717 . . 1 . . . . . 34 Q CA . 50098 1 161 . 1 . 1 34 34 GLN CB C 13 29.464 . . 1 . . . . . 34 Q CB . 50098 1 162 . 1 . 1 34 34 GLN N N 15 124.192 . . 1 . . . . . 34 Q N . 50098 1 163 . 1 . 1 35 35 GLN H H 1 8.403 . . 1 . . . . . 35 Q HN . 50098 1 164 . 1 . 1 35 35 GLN C C 13 173.901 . . 1 . . . . . 35 Q CO . 50098 1 165 . 1 . 1 35 35 GLN CA C 13 53.736 . . 1 . . . . . 35 Q CA . 50098 1 166 . 1 . 1 35 35 GLN CB C 13 28.982 . . 1 . . . . . 35 Q CB . 50098 1 167 . 1 . 1 35 35 GLN N N 15 123.063 . . 1 . . . . . 35 Q N . 50098 1 168 . 1 . 1 36 36 PRO C C 13 176.782 . . 1 . . . . . 36 P CO . 50098 1 169 . 1 . 1 36 36 PRO CA C 13 63.223 . . 1 . . . . . 36 P CA . 50098 1 170 . 1 . 1 36 36 PRO CB C 13 32.179 . . 1 . . . . . 36 P CB . 50098 1 171 . 1 . 1 37 37 SER H H 1 8.491 . . 1 . . . . . 37 S HN . 50098 1 172 . 1 . 1 37 37 SER C C 13 174.871 . . 1 . . . . . 37 S CO . 50098 1 173 . 1 . 1 37 37 SER CA C 13 58.120 . . 1 . . . . . 37 S CA . 50098 1 174 . 1 . 1 37 37 SER CB C 13 63.909 . . 1 . . . . . 37 S CB . 50098 1 175 . 1 . 1 37 37 SER N N 15 116.312 . . 1 . . . . . 37 S N . 50098 1 176 . 1 . 1 38 38 ILE H H 1 8.223 . . 1 . . . . . 38 I HN . 50098 1 177 . 1 . 1 38 38 ILE C C 13 176.619 . . 1 . . . . . 38 I CO . 50098 1 178 . 1 . 1 38 38 ILE CA C 13 61.687 . . 1 . . . . . 38 I CA . 50098 1 179 . 1 . 1 38 38 ILE CB C 13 38.449 . . 1 . . . . . 38 I CB . 50098 1 180 . 1 . 1 38 38 ILE N N 15 122.872 . . 1 . . . . . 38 I N . 50098 1 181 . 1 . 1 39 39 LYS H H 1 8.279 . . 1 . . . . . 39 K HN . 50098 1 182 . 1 . 1 39 39 LYS C C 13 176.569 . . 1 . . . . . 39 K CO . 50098 1 183 . 1 . 1 39 39 LYS CA C 13 57.017 . . 1 . . . . . 39 K CA . 50098 1 184 . 1 . 1 39 39 LYS CB C 13 32.798 . . 1 . . . . . 39 K CB . 50098 1 185 . 1 . 1 39 39 LYS N N 15 124.392 . . 1 . . . . . 39 K N . 50098 1 186 . 1 . 1 40 40 ASP H H 1 8.157 . . 1 . . . . . 40 D HN . 50098 1 187 . 1 . 1 40 40 ASP C C 13 176.719 . . 1 . . . . . 40 D CO . 50098 1 188 . 1 . 1 40 40 ASP CA C 13 54.780 . . 1 . . . . . 40 D CA . 50098 1 189 . 1 . 1 40 40 ASP CB C 13 41.013 . . 1 . . . . . 40 D CB . 50098 1 190 . 1 . 1 40 40 ASP N N 15 120.918 . . 1 . . . . . 40 D N . 50098 1 191 . 1 . 1 41 41 GLN H H 1 8.400 . . 1 . . . . . 41 Q HN . 50098 1 192 . 1 . 1 41 41 GLN C C 13 176.688 . . 1 . . . . . 41 Q CO . 50098 1 193 . 1 . 1 41 41 GLN CA C 13 56.674 . . 1 . . . . . 41 Q CA . 50098 1 194 . 1 . 1 41 41 GLN CB C 13 29.192 . . 1 . . . . . 41 Q CB . 50098 1 195 . 1 . 1 41 41 GLN N N 15 121.314 . . 1 . . . . . 41 Q N . 50098 1 196 . 1 . 1 42 42 THR H H 1 8.247 . . 1 . . . . . 42 T HN . 50098 1 197 . 1 . 1 42 42 THR C C 13 175.040 . . 1 . . . . . 42 T CO . 50098 1 198 . 1 . 1 42 42 THR CA C 13 63.383 . . 1 . . . . . 42 T CA . 50098 1 199 . 1 . 1 42 42 THR CB C 13 69.335 . . 1 . . . . . 42 T CB . 50098 1 200 . 1 . 1 42 42 THR N N 15 114.874 . . 1 . . . . . 42 T N . 50098 1 201 . 1 . 1 43 43 LYS H H 1 8.104 . . 1 . . . . . 43 K HN . 50098 1 202 . 1 . 1 43 43 LYS C C 13 176.599 . . 1 . . . . . 43 K CO . 50098 1 203 . 1 . 1 43 43 LYS CA C 13 56.694 . . 1 . . . . . 43 K CA . 50098 1 204 . 1 . 1 43 43 LYS CB C 13 32.618 . . 1 . . . . . 43 K CB . 50098 1 205 . 1 . 1 43 43 LYS N N 15 123.106 . . 1 . . . . . 43 K N . 50098 1 206 . 1 . 1 44 44 ALA H H 1 8.165 . . 1 . . . . . 44 A HN . 50098 1 207 . 1 . 1 44 44 ALA C C 13 178.353 . . 1 . . . . . 44 A CO . 50098 1 208 . 1 . 1 44 44 ALA CA C 13 53.330 . . 1 . . . . . 44 A CA . 50098 1 209 . 1 . 1 44 44 ALA N N 15 123.919 . . 1 . . . . . 44 A N . 50098 1 210 . 1 . 1 45 45 TRP H H 1 7.993 . . 1 . . . . . 45 W HN . 50098 1 211 . 1 . 1 45 45 TRP C C 13 176.738 . . 1 . . . . . 45 W CO . 50098 1 212 . 1 . 1 45 45 TRP CA C 13 58.235 . . 1 . . . . . 45 W CA . 50098 1 213 . 1 . 1 45 45 TRP CB C 13 29.506 . . 1 . . . . . 45 W CB . 50098 1 214 . 1 . 1 45 45 TRP N N 15 119.740 . . 1 . . . . . 45 W N . 50098 1 215 . 1 . 1 46 46 GLU H H 1 8.121 . . 1 . . . . . 46 E HN . 50098 1 216 . 1 . 1 46 46 GLU C C 13 176.932 . . 1 . . . . . 46 E CO . 50098 1 217 . 1 . 1 46 46 GLU CA C 13 57.671 . . 1 . . . . . 46 E CA . 50098 1 218 . 1 . 1 46 46 GLU CB C 13 29.753 . . 1 . . . . . 46 E CB . 50098 1 219 . 1 . 1 46 46 GLU N N 15 120.677 . . 1 . . . . . 46 E N . 50098 1 220 . 1 . 1 47 47 ASP H H 1 8.148 . . 1 . . . . . 47 D HN . 50098 1 221 . 1 . 1 47 47 ASP C C 13 176.801 . . 1 . . . . . 47 D CO . 50098 1 222 . 1 . 1 47 47 ASP CA C 13 55.217 . . 1 . . . . . 47 D CA . 50098 1 223 . 1 . 1 47 47 ASP CB C 13 40.726 . . 1 . . . . . 47 D CB . 50098 1 224 . 1 . 1 47 47 ASP N N 15 120.133 . . 1 . . . . . 47 D N . 50098 1 225 . 1 . 1 48 48 PHE H H 1 7.972 . . 1 . . . . . 48 F HN . 50098 1 226 . 1 . 1 48 48 PHE C C 13 176.398 . . 1 . . . . . 48 F CO . 50098 1 227 . 1 . 1 48 48 PHE CA C 13 58.793 . . 1 . . . . . 48 F CA . 50098 1 228 . 1 . 1 48 48 PHE CB C 13 39.138 . . 1 . . . . . 48 F CB . 50098 1 229 . 1 . 1 48 48 PHE N N 15 120.468 . . 1 . . . . . 48 F N . 50098 1 230 . 1 . 1 49 49 LEU H H 1 8.030 . . 1 . . . . . 49 L HN . 50098 1 231 . 1 . 1 49 49 LEU C C 13 177.677 . . 1 . . . . . 49 L CO . 50098 1 232 . 1 . 1 49 49 LEU CA C 13 55.757 . . 1 . . . . . 49 L CA . 50098 1 233 . 1 . 1 49 49 LEU CB C 13 42.121 . . 1 . . . . . 49 L CB . 50098 1 234 . 1 . 1 49 49 LEU N N 15 121.798 . . 1 . . . . . 49 L N . 50098 1 235 . 1 . 1 50 50 GLN H H 1 8.082 . . 1 . . . . . 50 Q HN . 50098 1 236 . 1 . 1 50 50 GLN C C 13 176.269 . . 1 . . . . . 50 Q CO . 50098 1 237 . 1 . 1 50 50 GLN CA C 13 56.361 . . 1 . . . . . 50 Q CA . 50098 1 238 . 1 . 1 50 50 GLN CB C 13 29.143 . . 1 . . . . . 50 Q CB . 50098 1 239 . 1 . 1 50 50 GLN N N 15 119.604 . . 1 . . . . . 50 Q N . 50098 1 240 . 1 . 1 51 51 CYS H H 1 8.220 . . 1 . . . . . 51 C HN . 50098 1 241 . 1 . 1 51 51 CYS C C 13 175.115 . . 1 . . . . . 51 C CO . 50098 1 242 . 1 . 1 51 51 CYS CA C 13 59.050 . . 1 . . . . . 51 C CA . 50098 1 243 . 1 . 1 51 51 CYS CB C 13 27.819 . . 1 . . . . . 51 C CB . 50098 1 244 . 1 . 1 51 51 CYS N N 15 119.533 . . 1 . . . . . 51 C N . 50098 1 245 . 1 . 1 52 52 THR H H 1 8.193 . . 1 . . . . . 52 T HN . 50098 1 246 . 1 . 1 52 52 THR C C 13 174.744 . . 1 . . . . . 52 T CO . 50098 1 247 . 1 . 1 52 52 THR CA C 13 61.980 . . 1 . . . . . 52 T CA . 50098 1 248 . 1 . 1 52 52 THR CB C 13 69.785 . . 1 . . . . . 52 T CB . 50098 1 249 . 1 . 1 52 52 THR N N 15 115.579 . . 1 . . . . . 52 T N . 50098 1 250 . 1 . 1 53 53 SER H H 1 8.278 . . 1 . . . . . 53 S HN . 50098 1 251 . 1 . 1 53 53 SER C C 13 175.091 . . 1 . . . . . 53 S CO . 50098 1 252 . 1 . 1 53 53 SER CA C 13 58.716 . . 1 . . . . . 53 S CA . 50098 1 253 . 1 . 1 53 53 SER CB C 13 63.879 . . 1 . . . . . 53 S CB . 50098 1 254 . 1 . 1 53 53 SER N N 15 117.922 . . 1 . . . . . 53 S N . 50098 1 255 . 1 . 1 54 54 GLY H H 1 8.412 . . 1 . . . . . 54 G HN . 50098 1 256 . 1 . 1 54 54 GLY C C 13 174.283 . . 1 . . . . . 54 G CO . 50098 1 257 . 1 . 1 54 54 GLY CA C 13 45.475 . . 1 . . . . . 54 G CA . 50098 1 258 . 1 . 1 54 54 GLY N N 15 110.893 . . 1 . . . . . 54 G N . 50098 1 259 . 1 . 1 55 55 GLU H H 1 8.269 . . 1 . . . . . 55 E HN . 50098 1 260 . 1 . 1 55 55 GLU C C 13 176.703 . . 1 . . . . . 55 E CO . 50098 1 261 . 1 . 1 55 55 GLU CA C 13 56.623 . . 1 . . . . . 55 E CA . 50098 1 262 . 1 . 1 55 55 GLU CB C 13 30.141 . . 1 . . . . . 55 E CB . 50098 1 263 . 1 . 1 55 55 GLU N N 15 120.515 . . 1 . . . . . 55 E N . 50098 1 264 . 1 . 1 56 56 SER H H 1 8.362 . . 1 . . . . . 56 S HN . 50098 1 265 . 1 . 1 56 56 SER C C 13 174.580 . . 1 . . . . . 56 S CO . 50098 1 266 . 1 . 1 56 56 SER CA C 13 58.631 . . 1 . . . . . 56 S CA . 50098 1 267 . 1 . 1 56 56 SER CB C 13 63.767 . . 1 . . . . . 56 S CB . 50098 1 268 . 1 . 1 56 56 SER N N 15 116.561 . . 1 . . . . . 56 S N . 50098 1 269 . 1 . 1 57 57 GLU H H 1 8.423 . . 1 . . . . . 57 E HN . 50098 1 270 . 1 . 1 57 57 GLU C C 13 176.313 . . 1 . . . . . 57 E CO . 50098 1 271 . 1 . 1 57 57 GLU CA C 13 56.665 . . 1 . . . . . 57 E CA . 50098 1 272 . 1 . 1 57 57 GLU CB C 13 30.030 . . 1 . . . . . 57 E CB . 50098 1 273 . 1 . 1 57 57 GLU N N 15 122.520 . . 1 . . . . . 57 E N . 50098 1 274 . 1 . 1 58 58 GLN H H 1 8.366 . . 1 . . . . . 58 Q HN . 50098 1 275 . 1 . 1 58 58 GLN C C 13 175.936 . . 1 . . . . . 58 Q CO . 50098 1 276 . 1 . 1 58 58 GLN CA C 13 55.838 . . 1 . . . . . 58 Q CA . 50098 1 277 . 1 . 1 58 58 GLN CB C 13 29.498 . . 1 . . . . . 58 Q CB . 50098 1 278 . 1 . 1 58 58 GLN N N 15 121.424 . . 1 . . . . . 58 Q N . 50098 1 279 . 1 . 1 59 59 VAL H H 1 8.179 . . 1 . . . . . 59 V HN . 50098 1 280 . 1 . 1 59 59 VAL C C 13 176.298 . . 1 . . . . . 59 V CO . 50098 1 281 . 1 . 1 59 59 VAL CA C 13 62.296 . . 1 . . . . . 59 V CA . 50098 1 282 . 1 . 1 59 59 VAL CB C 13 32.903 . . 1 . . . . . 59 V CB . 50098 1 283 . 1 . 1 59 59 VAL N N 15 121.556 . . 1 . . . . . 59 V N . 50098 1 284 . 1 . 1 60 60 GLU H H 1 8.560 . . 1 . . . . . 60 E HN . 50098 1 285 . 1 . 1 60 60 GLU C C 13 177.003 . . 1 . . . . . 60 E CO . 50098 1 286 . 1 . 1 60 60 GLU CA C 13 56.769 . . 1 . . . . . 60 E CA . 50098 1 287 . 1 . 1 60 60 GLU CB C 13 29.964 . . 1 . . . . . 60 E CB . 50098 1 288 . 1 . 1 60 60 GLU N N 15 124.920 . . 1 . . . . . 60 E N . 50098 1 289 . 1 . 1 61 61 GLY H H 1 8.508 . . 1 . . . . . 61 G HN . 50098 1 290 . 1 . 1 61 61 GLY C C 13 174.778 . . 1 . . . . . 61 G CO . 50098 1 291 . 1 . 1 61 61 GLY CA C 13 45.525 . . 1 . . . . . 61 G CA . 50098 1 292 . 1 . 1 61 61 GLY N N 15 110.739 . . 1 . . . . . 61 G N . 50098 1 293 . 1 . 1 62 62 GLY H H 1 8.293 . . 1 . . . . . 62 G HN . 50098 1 294 . 1 . 1 62 62 GLY C C 13 174.195 . . 1 . . . . . 62 G CO . 50098 1 295 . 1 . 1 62 62 GLY CA C 13 45.378 . . 1 . . . . . 62 G CA . 50098 1 296 . 1 . 1 62 62 GLY N N 15 108.636 . . 1 . . . . . 62 G N . 50098 1 297 . 1 . 1 63 63 MET H H 1 8.250 . . 1 . . . . . 63 M HN . 50098 1 298 . 1 . 1 63 63 MET C C 13 176.321 . . 1 . . . . . 63 M CO . 50098 1 299 . 1 . 1 63 63 MET CA C 13 55.506 . . 1 . . . . . 63 M CA . 50098 1 300 . 1 . 1 63 63 MET CB C 13 33.100 . . 1 . . . . . 63 M CB . 50098 1 301 . 1 . 1 63 63 MET N N 15 119.655 . . 1 . . . . . 63 M N . 50098 1 302 . 1 . 1 64 64 SER H H 1 8.429 . . 1 . . . . . 64 S HN . 50098 1 303 . 1 . 1 64 64 SER C C 13 174.621 . . 1 . . . . . 64 S CO . 50098 1 304 . 1 . 1 64 64 SER CA C 13 58.302 . . 1 . . . . . 64 S CA . 50098 1 305 . 1 . 1 64 64 SER CB C 13 63.857 . . 1 . . . . . 64 S CB . 50098 1 306 . 1 . 1 64 64 SER N N 15 117.446 . . 1 . . . . . 64 S N . 50098 1 307 . 1 . 1 65 65 LYS H H 1 8.447 . . 1 . . . . . 65 K HN . 50098 1 308 . 1 . 1 65 65 LYS C C 13 176.312 . . 1 . . . . . 65 K CO . 50098 1 309 . 1 . 1 65 65 LYS CA C 13 56.463 . . 1 . . . . . 65 K CA . 50098 1 310 . 1 . 1 65 65 LYS CB C 13 33.011 . . 1 . . . . . 65 K CB . 50098 1 311 . 1 . 1 65 65 LYS N N 15 123.545 . . 1 . . . . . 65 K N . 50098 1 312 . 1 . 1 66 66 ASP H H 1 8.354 . . 1 . . . . . 66 D HN . 50098 1 313 . 1 . 1 66 66 ASP C C 13 175.997 . . 1 . . . . . 66 D CO . 50098 1 314 . 1 . 1 66 66 ASP CA C 13 54.326 . . 1 . . . . . 66 D CA . 50098 1 315 . 1 . 1 66 66 ASP CB C 13 41.229 . . 1 . . . . . 66 D CB . 50098 1 316 . 1 . 1 66 66 ASP N N 15 121.387 . . 1 . . . . . 66 D N . 50098 1 317 . 1 . 1 67 67 ASP H H 1 8.275 . . 1 . . . . . 67 D HN . 50098 1 318 . 1 . 1 67 67 ASP C C 13 176.939 . . 1 . . . . . 67 D CO . 50098 1 319 . 1 . 1 67 67 ASP CA C 13 54.580 . . 1 . . . . . 67 D CA . 50098 1 320 . 1 . 1 67 67 ASP CB C 13 41.012 . . 1 . . . . . 67 D CB . 50098 1 321 . 1 . 1 67 67 ASP N N 15 121.242 . . 1 . . . . . 67 D N . 50098 1 322 . 1 . 1 68 68 GLY H H 1 8.417 . . 1 . . . . . 68 G HN . 50098 1 323 . 1 . 1 68 68 GLY C C 13 174.247 . . 1 . . . . . 68 G CO . 50098 1 324 . 1 . 1 68 68 GLY CA C 13 45.732 . . 1 . . . . . 68 G CA . 50098 1 325 . 1 . 1 68 68 GLY N N 15 108.880 . . 1 . . . . . 68 G N . 50098 1 326 . 1 . 1 69 69 ASP H H 1 8.232 . . 1 . . . . . 69 D HN . 50098 1 327 . 1 . 1 69 69 ASP C C 13 176.712 . . 1 . . . . . 69 D CO . 50098 1 328 . 1 . 1 69 69 ASP CA C 13 54.673 . . 1 . . . . . 69 D CA . 50098 1 329 . 1 . 1 69 69 ASP CB C 13 40.991 . . 1 . . . . . 69 D CB . 50098 1 330 . 1 . 1 69 69 ASP N N 15 120.681 . . 1 . . . . . 69 D N . 50098 1 331 . 1 . 1 70 70 VAL H H 1 8.011 . . 1 . . . . . 70 V HN . 50098 1 332 . 1 . 1 70 70 VAL C C 13 176.640 . . 1 . . . . . 70 V CO . 50098 1 333 . 1 . 1 70 70 VAL CA C 13 63.347 . . 1 . . . . . 70 V CA . 50098 1 334 . 1 . 1 70 70 VAL CB C 13 32.454 . . 1 . . . . . 70 V CB . 50098 1 335 . 1 . 1 70 70 VAL N N 15 120.204 . . 1 . . . . . 70 V N . 50098 1 336 . 1 . 1 71 71 GLU H H 1 8.380 . . 1 . . . . . 71 E HN . 50098 1 337 . 1 . 1 71 71 GLU C C 13 176.915 . . 1 . . . . . 71 E CO . 50098 1 338 . 1 . 1 71 71 GLU CA C 13 57.218 . . 1 . . . . . 71 E CA . 50098 1 339 . 1 . 1 71 71 GLU CB C 13 29.739 . . 1 . . . . . 71 E CB . 50098 1 340 . 1 . 1 71 71 GLU N N 15 122.759 . . 1 . . . . . 71 E N . 50098 1 341 . 1 . 1 72 72 ARG H H 1 8.194 . . 1 . . . . . 72 R HN . 50098 1 342 . 1 . 1 72 72 ARG C C 13 176.693 . . 1 . . . . . 72 R CO . 50098 1 343 . 1 . 1 72 72 ARG CA C 13 56.655 . . 1 . . . . . 72 R CA . 50098 1 344 . 1 . 1 72 72 ARG CB C 13 30.403 . . 1 . . . . . 72 R CB . 50098 1 345 . 1 . 1 72 72 ARG N N 15 121.638 . . 1 . . . . . 72 R N . 50098 1 346 . 1 . 1 73 73 ARG H H 1 8.252 . . 1 . . . . . 73 R HN . 50098 1 347 . 1 . 1 73 73 ARG C C 13 176.346 . . 1 . . . . . 73 R CO . 50098 1 348 . 1 . 1 73 73 ARG CA C 13 56.708 . . 1 . . . . . 73 R CA . 50098 1 349 . 1 . 1 73 73 ARG CB C 13 30.786 . . 1 . . . . . 73 R CB . 50098 1 350 . 1 . 1 73 73 ARG N N 15 121.401 . . 1 . . . . . 73 R N . 50098 1 351 . 1 . 1 74 74 ASN H H 1 8.449 . . 1 . . . . . 74 N HN . 50098 1 352 . 1 . 1 74 74 ASN C C 13 175.607 . . 1 . . . . . 74 N CO . 50098 1 353 . 1 . 1 74 74 ASN CA C 13 53.567 . . 1 . . . . . 74 N CA . 50098 1 354 . 1 . 1 74 74 ASN CB C 13 38.577 . . 1 . . . . . 74 N CB . 50098 1 355 . 1 . 1 74 74 ASN N N 15 119.359 . . 1 . . . . . 74 N N . 50098 1 356 . 1 . 1 75 75 LEU H H 1 8.190 . . 1 . . . . . 75 L HN . 50098 1 357 . 1 . 1 75 75 LEU C C 13 177.859 . . 1 . . . . . 75 L CO . 50098 1 358 . 1 . 1 75 75 LEU CA C 13 55.899 . . 1 . . . . . 75 L CA . 50098 1 359 . 1 . 1 75 75 LEU CB C 13 42.123 . . 1 . . . . . 75 L CB . 50098 1 360 . 1 . 1 75 75 LEU N N 15 122.313 . . 1 . . . . . 75 L N . 50098 1 361 . 1 . 1 76 76 GLU H H 1 8.300 . . 1 . . . . . 76 E HN . 50098 1 362 . 1 . 1 76 76 GLU C C 13 176.393 . . 1 . . . . . 76 E CO . 50098 1 363 . 1 . 1 76 76 GLU CA C 13 57.056 . . 1 . . . . . 76 E CA . 50098 1 364 . 1 . 1 76 76 GLU CB C 13 29.937 . . 1 . . . . . 76 E CB . 50098 1 365 . 1 . 1 76 76 GLU N N 15 120.258 . . 1 . . . . . 76 E N . 50098 1 366 . 1 . 1 77 77 ASP H H 1 8.217 . . 1 . . . . . 77 D HN . 50098 1 367 . 1 . 1 77 77 ASP C C 13 176.567 . . 1 . . . . . 77 D CO . 50098 1 368 . 1 . 1 77 77 ASP CA C 13 54.412 . . 1 . . . . . 77 D CA . 50098 1 369 . 1 . 1 77 77 ASP CB C 13 40.882 . . 1 . . . . . 77 D CB . 50098 1 370 . 1 . 1 77 77 ASP N N 15 120.693 . . 1 . . . . . 77 D N . 50098 1 371 . 1 . 1 78 78 LEU H H 1 8.204 . . 1 . . . . . 78 L HN . 50098 1 372 . 1 . 1 78 78 LEU C C 13 177.916 . . 1 . . . . . 78 L CO . 50098 1 373 . 1 . 1 78 78 LEU CA C 13 55.516 . . 1 . . . . . 78 L CA . 50098 1 374 . 1 . 1 78 78 LEU CB C 13 41.990 . . 1 . . . . . 78 L CB . 50098 1 375 . 1 . 1 78 78 LEU N N 15 123.023 . . 1 . . . . . 78 L N . 50098 1 376 . 1 . 1 79 79 SER H H 1 8.309 . . 1 . . . . . 79 S HN . 50098 1 377 . 1 . 1 79 79 SER C C 13 174.887 . . 1 . . . . . 79 S CO . 50098 1 378 . 1 . 1 79 79 SER CA C 13 59.094 . . 1 . . . . . 79 S CA . 50098 1 379 . 1 . 1 79 79 SER CB C 13 63.768 . . 1 . . . . . 79 S CB . 50098 1 380 . 1 . 1 79 79 SER N N 15 115.913 . . 1 . . . . . 79 S N . 50098 1 381 . 1 . 1 80 80 SER H H 1 8.209 . . 1 . . . . . 80 S HN . 50098 1 382 . 1 . 1 80 80 SER C C 13 174.784 . . 1 . . . . . 80 S CO . 50098 1 383 . 1 . 1 80 80 SER CA C 13 58.569 . . 1 . . . . . 80 S CA . 50098 1 384 . 1 . 1 80 80 SER CB C 13 63.802 . . 1 . . . . . 80 S CB . 50098 1 385 . 1 . 1 80 80 SER N N 15 117.258 . . 1 . . . . . 80 S N . 50098 1 386 . 1 . 1 81 81 THR H H 1 8.109 . . 1 . . . . . 81 T HN . 50098 1 387 . 1 . 1 81 81 THR C C 13 174.419 . . 1 . . . . . 81 T CO . 50098 1 388 . 1 . 1 81 81 THR CA C 13 61.748 . . 1 . . . . . 81 T CA . 50098 1 389 . 1 . 1 81 81 THR CB C 13 69.867 . . 1 . . . . . 81 T CB . 50098 1 390 . 1 . 1 81 81 THR N N 15 115.113 . . 1 . . . . . 81 T N . 50098 1 391 . 1 . 1 82 82 SER H H 1 8.311 . . 1 . . . . . 82 S HN . 50098 1 392 . 1 . 1 82 82 SER CA C 13 56.481 . . 1 . . . . . 82 S CA . 50098 1 393 . 1 . 1 82 82 SER CB C 13 63.109 . . 1 . . . . . 82 S CB . 50098 1 394 . 1 . 1 82 82 SER N N 15 119.531 . . 1 . . . . . 82 S N . 50098 1 395 . 1 . 1 83 83 PRO C C 13 177.424 . . 1 . . . . . 83 P CO . 50098 1 396 . 1 . 1 83 83 PRO CA C 13 63.530 . . 1 . . . . . 83 P CA . 50098 1 397 . 1 . 1 83 83 PRO CB C 13 32.167 . . 1 . . . . . 83 P CB . 50098 1 398 . 1 . 1 84 84 THR H H 1 8.225 . . 1 . . . . . 84 T HN . 50098 1 399 . 1 . 1 84 84 THR C C 13 174.668 . . 1 . . . . . 84 T CO . 50098 1 400 . 1 . 1 84 84 THR CA C 13 61.846 . . 1 . . . . . 84 T CA . 50098 1 401 . 1 . 1 84 84 THR CB C 13 69.699 . . 1 . . . . . 84 T CB . 50098 1 402 . 1 . 1 84 84 THR N N 15 113.128 . . 1 . . . . . 84 T N . 50098 1 403 . 1 . 1 85 85 ASP H H 1 8.206 . . 1 . . . . . 85 D HN . 50098 1 404 . 1 . 1 85 85 ASP C C 13 176.782 . . 1 . . . . . 85 D CO . 50098 1 405 . 1 . 1 85 85 ASP CA C 13 54.466 . . 1 . . . . . 85 D CA . 50098 1 406 . 1 . 1 85 85 ASP CB C 13 41.143 . . 1 . . . . . 85 D CB . 50098 1 407 . 1 . 1 85 85 ASP N N 15 122.332 . . 1 . . . . . 85 D N . 50098 1 408 . 1 . 1 86 86 GLY H H 1 8.396 . . 1 . . . . . 86 G HN . 50098 1 409 . 1 . 1 86 86 GLY C C 13 174.690 . . 1 . . . . . 86 G CO . 50098 1 410 . 1 . 1 86 86 GLY CA C 13 45.658 . . 1 . . . . . 86 G CA . 50098 1 411 . 1 . 1 86 86 GLY N N 15 109.473 . . 1 . . . . . 86 G N . 50098 1 412 . 1 . 1 87 87 THR H H 1 8.150 . . 1 . . . . . 87 T HN . 50098 1 413 . 1 . 1 87 87 THR C C 13 174.956 . . 1 . . . . . 87 T CO . 50098 1 414 . 1 . 1 87 87 THR CA C 13 62.462 . . 1 . . . . . 87 T CA . 50098 1 415 . 1 . 1 87 87 THR CB C 13 69.879 . . 1 . . . . . 87 T CB . 50098 1 416 . 1 . 1 87 87 THR N N 15 113.794 . . 1 . . . . . 87 T N . 50098 1 417 . 1 . 1 88 88 ILE H H 1 8.096 . . 1 . . . . . 88 I HN . 50098 1 418 . 1 . 1 88 88 ILE C C 13 176.794 . . 1 . . . . . 88 I CO . 50098 1 419 . 1 . 1 88 88 ILE CA C 13 61.658 . . 1 . . . . . 88 I CA . 50098 1 420 . 1 . 1 88 88 ILE CB C 13 38.537 . . 1 . . . . . 88 I CB . 50098 1 421 . 1 . 1 88 88 ILE N N 15 122.818 . . 1 . . . . . 88 I N . 50098 1 422 . 1 . 1 89 89 GLY H H 1 8.431 . . 1 . . . . . 89 G HN . 50098 1 423 . 1 . 1 89 89 GLY C C 13 173.946 . . 1 . . . . . 89 G CO . 50098 1 424 . 1 . 1 89 89 GLY CA C 13 45.320 . . 1 . . . . . 89 G CA . 50098 1 425 . 1 . 1 89 89 GLY N N 15 112.594 . . 1 . . . . . 89 G N . 50098 1 426 . 1 . 1 90 90 LYS H H 1 8.081 . . 1 . . . . . 90 K HN . 50098 1 427 . 1 . 1 90 90 LYS C C 13 176.497 . . 1 . . . . . 90 K CO . 50098 1 428 . 1 . 1 90 90 LYS CA C 13 56.237 . . 1 . . . . . 90 K CA . 50098 1 429 . 1 . 1 90 90 LYS CB C 13 33.073 . . 1 . . . . . 90 K CB . 50098 1 430 . 1 . 1 90 90 LYS N N 15 120.883 . . 1 . . . . . 90 K N . 50098 1 431 . 1 . 1 91 91 ARG H H 1 8.363 . . 1 . . . . . 91 R HN . 50098 1 432 . 1 . 1 91 91 ARG C C 13 176.341 . . 1 . . . . . 91 R CO . 50098 1 433 . 1 . 1 91 91 ARG CA C 13 56.176 . . 1 . . . . . 91 R CA . 50098 1 434 . 1 . 1 91 91 ARG CB C 13 30.759 . . 1 . . . . . 91 R CB . 50098 1 435 . 1 . 1 91 91 ARG N N 15 122.789 . . 1 . . . . . 91 R N . 50098 1 436 . 1 . 1 92 92 VAL H H 1 8.237 . . 1 . . . . . 92 V HN . 50098 1 437 . 1 . 1 92 92 VAL C C 13 176.134 . . 1 . . . . . 92 V CO . 50098 1 438 . 1 . 1 92 92 VAL CA C 13 62.286 . . 1 . . . . . 92 V CA . 50098 1 439 . 1 . 1 92 92 VAL CB C 13 32.836 . . 1 . . . . . 92 V CB . 50098 1 440 . 1 . 1 92 92 VAL N N 15 121.661 . . 1 . . . . . 92 V N . 50098 1 441 . 1 . 1 93 93 SER H H 1 8.377 . . 1 . . . . . 93 S HN . 50098 1 442 . 1 . 1 93 93 SER C C 13 174.251 . . 1 . . . . . 93 S CO . 50098 1 443 . 1 . 1 93 93 SER CA C 13 58.250 . . 1 . . . . . 93 S CA . 50098 1 444 . 1 . 1 93 93 SER CB C 13 63.906 . . 1 . . . . . 93 S CB . 50098 1 445 . 1 . 1 93 93 SER N N 15 119.141 . . 1 . . . . . 93 S N . 50098 1 446 . 1 . 1 94 94 ASN H H 1 8.506 . . 1 . . . . . 94 N HN . 50098 1 447 . 1 . 1 94 94 ASN C C 13 175.440 . . 1 . . . . . 94 N CO . 50098 1 448 . 1 . 1 94 94 ASN CA C 13 53.306 . . 1 . . . . . 94 N CA . 50098 1 449 . 1 . 1 94 94 ASN CB C 13 38.936 . . 1 . . . . . 94 N CB . 50098 1 450 . 1 . 1 94 94 ASN N N 15 121.247 . . 1 . . . . . 94 N N . 50098 1 451 . 1 . 1 95 95 THR H H 1 8.124 . . 1 . . . . . 95 T HN . 50098 1 452 . 1 . 1 95 95 THR C C 13 174.753 . . 1 . . . . . 95 T CO . 50098 1 453 . 1 . 1 95 95 THR CA C 13 62.331 . . 1 . . . . . 95 T CA . 50098 1 454 . 1 . 1 95 95 THR CB C 13 69.471 . . 1 . . . . . 95 T CB . 50098 1 455 . 1 . 1 95 95 THR N N 15 114.180 . . 1 . . . . . 95 T N . 50098 1 456 . 1 . 1 96 96 ARG H H 1 8.277 . . 1 . . . . . 96 R HN . 50098 1 457 . 1 . 1 96 96 ARG C C 13 176.068 . . 1 . . . . . 96 R CO . 50098 1 458 . 1 . 1 96 96 ARG CA C 13 56.524 . . 1 . . . . . 96 R CA . 50098 1 459 . 1 . 1 96 96 ARG CB C 13 30.492 . . 1 . . . . . 96 R CB . 50098 1 460 . 1 . 1 96 96 ARG N N 15 122.803 . . 1 . . . . . 96 R N . 50098 1 461 . 1 . 1 97 97 ASP H H 1 8.258 . . 1 . . . . . 97 D HN . 50098 1 462 . 1 . 1 97 97 ASP C C 13 176.498 . . 1 . . . . . 97 D CO . 50098 1 463 . 1 . 1 97 97 ASP CA C 13 54.446 . . 1 . . . . . 97 D CA . 50098 1 464 . 1 . 1 97 97 ASP CB C 13 40.745 . . 1 . . . . . 97 D CB . 50098 1 465 . 1 . 1 97 97 ASP N N 15 121.005 . . 1 . . . . . 97 D N . 50098 1 466 . 1 . 1 98 98 TRP H H 1 7.999 . . 1 . . . . . 98 W HN . 50098 1 467 . 1 . 1 98 98 TRP C C 13 176.742 . . 1 . . . . . 98 W CO . 50098 1 468 . 1 . 1 98 98 TRP CA C 13 58.367 . . 1 . . . . . 98 W CA . 50098 1 469 . 1 . 1 98 98 TRP CB C 13 29.256 . . 1 . . . . . 98 W CB . 50098 1 470 . 1 . 1 98 98 TRP N N 15 121.926 . . 1 . . . . . 98 W N . 50098 1 471 . 1 . 1 99 99 ALA H H 1 8.062 . . 1 . . . . . 99 A HN . 50098 1 472 . 1 . 1 99 99 ALA C C 13 178.407 . . 1 . . . . . 99 A CO . 50098 1 473 . 1 . 1 99 99 ALA CA C 13 53.584 . . 1 . . . . . 99 A CA . 50098 1 474 . 1 . 1 99 99 ALA N N 15 123.625 . . 1 . . . . . 99 A N . 50098 1 475 . 1 . 1 100 100 GLU H H 1 7.971 . . 1 . . . . . 100 E HN . 50098 1 476 . 1 . 1 100 100 GLU C C 13 177.261 . . 1 . . . . . 100 E CO . 50098 1 477 . 1 . 1 100 100 GLU CA C 13 57.283 . . 1 . . . . . 100 E CA . 50098 1 478 . 1 . 1 100 100 GLU CB C 13 29.697 . . 1 . . . . . 100 E CB . 50098 1 479 . 1 . 1 100 100 GLU N N 15 118.584 . . 1 . . . . . 100 E N . 50098 1 stop_ save_