data_27555 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27555 _Entry.Title ; Backbone assignment of Rip2Card ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-24 _Entry.Accession_date 2018-07-24 _Entry.Last_release_date 2018-07-24 _Entry.Original_release_date 2018-07-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solid-state _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 Arndt Wallmann . . . . 27555 2 Hartmut Oschkinat . . . . 27555 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27555 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . Oschkinat . 27555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 185 27555 '15N chemical shifts' 63 27555 '1H chemical shifts' 63 27555 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 . . 2018-11-15 . original BMRB . 27555 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27555 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30279485 _Citation.Full_citation . _Citation.Title ; RIP2 filament formation is required for NOD2 dependent NF-B signalling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4043 _Citation.Page_last 4043 _Citation.Year 2018 _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 Erika Pellegrini . . . . 27555 1 2 Ambroise Desfosses . . . . 27555 1 3 Arndt Wallmann . . . . 27555 1 4 Wiebke Schulze . M. . . 27555 1 5 Kristina Rehbein . . . . 27555 1 6 Philippe Mas . . . . 27555 1 7 Luca Signor . . . . 27555 1 8 Stephanie Gaudon . . . . 27555 1 9 Grasilda Zenkeviciute . . . . 27555 1 10 Helene Malet . . . . 27555 1 11 Irina Gutsche . . . . 27555 1 12 Carsten Sachse . . . . 27555 1 13 Guy Schoehn . . . . 27555 1 14 Hartmut Oschkinat . . . . 27555 1 15 Stephen Cusack . . . . 27555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27555 _Assembly.ID 1 _Assembly.Name Rip2Card _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12248.0952 _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 'CARD domain' 1 $Rip2Card A . yes native no no . . . 27555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rip2Card _Entity.Sf_category entity _Entity.Sf_framecode Rip2Card _Entity.Entry_ID 27555 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rip2Card _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 ; AIAQQWIQSKREDIVNQMTE ACLNQSLDALLSRDLIMKED YELVSTKPTRTSKVRQLLDT TDIQGEEFAKVIVQKLKDNK QMGLQPYPEILVVSRSPSLN LLQNKSM ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12248.0952 _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 . ALA . 27555 1 2 . ILE . 27555 1 3 . ALA . 27555 1 4 . GLN . 27555 1 5 . GLN . 27555 1 6 . TRP . 27555 1 7 . ILE . 27555 1 8 . GLN . 27555 1 9 . SER . 27555 1 10 . LYS . 27555 1 11 . ARG . 27555 1 12 . GLU . 27555 1 13 . ASP . 27555 1 14 . ILE . 27555 1 15 . VAL . 27555 1 16 . ASN . 27555 1 17 . GLN . 27555 1 18 . MET . 27555 1 19 . THR . 27555 1 20 . GLU . 27555 1 21 . ALA . 27555 1 22 . CYS . 27555 1 23 . LEU . 27555 1 24 . ASN . 27555 1 25 . GLN . 27555 1 26 . SER . 27555 1 27 . LEU . 27555 1 28 . ASP . 27555 1 29 . ALA . 27555 1 30 . LEU . 27555 1 31 . LEU . 27555 1 32 . SER . 27555 1 33 . ARG . 27555 1 34 . ASP . 27555 1 35 . LEU . 27555 1 36 . ILE . 27555 1 37 . MET . 27555 1 38 . LYS . 27555 1 39 . GLU . 27555 1 40 . ASP . 27555 1 41 . TYR . 27555 1 42 . GLU . 27555 1 43 . LEU . 27555 1 44 . VAL . 27555 1 45 . SER . 27555 1 46 . THR . 27555 1 47 . LYS . 27555 1 48 . PRO . 27555 1 49 . THR . 27555 1 50 . ARG . 27555 1 51 . THR . 27555 1 52 . SER . 27555 1 53 . LYS . 27555 1 54 . VAL . 27555 1 55 . ARG . 27555 1 56 . GLN . 27555 1 57 . LEU . 27555 1 58 . LEU . 27555 1 59 . ASP . 27555 1 60 . THR . 27555 1 61 . THR . 27555 1 62 . ASP . 27555 1 63 . ILE . 27555 1 64 . GLN . 27555 1 65 . GLY . 27555 1 66 . GLU . 27555 1 67 . GLU . 27555 1 68 . PHE . 27555 1 69 . ALA . 27555 1 70 . LYS . 27555 1 71 . VAL . 27555 1 72 . ILE . 27555 1 73 . VAL . 27555 1 74 . GLN . 27555 1 75 . LYS . 27555 1 76 . LEU . 27555 1 77 . LYS . 27555 1 78 . ASP . 27555 1 79 . ASN . 27555 1 80 . LYS . 27555 1 81 . GLN . 27555 1 82 . MET . 27555 1 83 . GLY . 27555 1 84 . LEU . 27555 1 85 . GLN . 27555 1 86 . PRO . 27555 1 87 . TYR . 27555 1 88 . PRO . 27555 1 89 . GLU . 27555 1 90 . ILE . 27555 1 91 . LEU . 27555 1 92 . VAL . 27555 1 93 . VAL . 27555 1 94 . SER . 27555 1 95 . ARG . 27555 1 96 . SER . 27555 1 97 . PRO . 27555 1 98 . SER . 27555 1 99 . LEU . 27555 1 100 . ASN . 27555 1 101 . LEU . 27555 1 102 . LEU . 27555 1 103 . GLN . 27555 1 104 . ASN . 27555 1 105 . LYS . 27555 1 106 . SER . 27555 1 107 . MET . 27555 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 . ALA 1 1 27555 1 . ILE 2 2 27555 1 . ALA 3 3 27555 1 . GLN 4 4 27555 1 . GLN 5 5 27555 1 . TRP 6 6 27555 1 . ILE 7 7 27555 1 . GLN 8 8 27555 1 . SER 9 9 27555 1 . LYS 10 10 27555 1 . ARG 11 11 27555 1 . GLU 12 12 27555 1 . ASP 13 13 27555 1 . ILE 14 14 27555 1 . VAL 15 15 27555 1 . ASN 16 16 27555 1 . GLN 17 17 27555 1 . MET 18 18 27555 1 . THR 19 19 27555 1 . GLU 20 20 27555 1 . ALA 21 21 27555 1 . CYS 22 22 27555 1 . LEU 23 23 27555 1 . ASN 24 24 27555 1 . GLN 25 25 27555 1 . SER 26 26 27555 1 . LEU 27 27 27555 1 . ASP 28 28 27555 1 . ALA 29 29 27555 1 . LEU 30 30 27555 1 . LEU 31 31 27555 1 . SER 32 32 27555 1 . ARG 33 33 27555 1 . ASP 34 34 27555 1 . LEU 35 35 27555 1 . ILE 36 36 27555 1 . MET 37 37 27555 1 . LYS 38 38 27555 1 . GLU 39 39 27555 1 . ASP 40 40 27555 1 . TYR 41 41 27555 1 . GLU 42 42 27555 1 . LEU 43 43 27555 1 . VAL 44 44 27555 1 . SER 45 45 27555 1 . THR 46 46 27555 1 . LYS 47 47 27555 1 . PRO 48 48 27555 1 . THR 49 49 27555 1 . ARG 50 50 27555 1 . THR 51 51 27555 1 . SER 52 52 27555 1 . LYS 53 53 27555 1 . VAL 54 54 27555 1 . ARG 55 55 27555 1 . GLN 56 56 27555 1 . LEU 57 57 27555 1 . LEU 58 58 27555 1 . ASP 59 59 27555 1 . THR 60 60 27555 1 . THR 61 61 27555 1 . ASP 62 62 27555 1 . ILE 63 63 27555 1 . GLN 64 64 27555 1 . GLY 65 65 27555 1 . GLU 66 66 27555 1 . GLU 67 67 27555 1 . PHE 68 68 27555 1 . ALA 69 69 27555 1 . LYS 70 70 27555 1 . VAL 71 71 27555 1 . ILE 72 72 27555 1 . VAL 73 73 27555 1 . GLN 74 74 27555 1 . LYS 75 75 27555 1 . LEU 76 76 27555 1 . LYS 77 77 27555 1 . ASP 78 78 27555 1 . ASN 79 79 27555 1 . LYS 80 80 27555 1 . GLN 81 81 27555 1 . MET 82 82 27555 1 . GLY 83 83 27555 1 . LEU 84 84 27555 1 . GLN 85 85 27555 1 . PRO 86 86 27555 1 . TYR 87 87 27555 1 . PRO 88 88 27555 1 . GLU 89 89 27555 1 . ILE 90 90 27555 1 . LEU 91 91 27555 1 . VAL 92 92 27555 1 . VAL 93 93 27555 1 . SER 94 94 27555 1 . ARG 95 95 27555 1 . SER 96 96 27555 1 . PRO 97 97 27555 1 . SER 98 98 27555 1 . LEU 99 99 27555 1 . ASN 100 100 27555 1 . LEU 101 101 27555 1 . LEU 102 102 27555 1 . GLN 103 103 27555 1 . ASN 104 104 27555 1 . LYS 105 105 27555 1 . SER 106 106 27555 1 . MET 107 107 27555 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27555 _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 $Rip2Card . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27555 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27555 _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 $Rip2Card . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 star' . . . . . pETM40 . . . 27555 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27555 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O BE' _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 Rip2Card '[U-100% 13C; U-100% 15N; 100% D2O]' . . 1 $Rip2Card . . 2 . . mg . . . . 27555 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 27555 _Sample_condition_list.ID 1 _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 8 . pH 27555 1 temperature 295 . K 27555 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27555 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27555 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27555 1 collection 27555 1 processing 27555 1 stop_ save_ save_Biospin _Software.Sf_category software _Software.Sf_framecode Biospin _Software.Entry_ID 27555 _Software.ID 2 _Software.Type . _Software.Name 'Bruker Biospin' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27555 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27555 2 collection 27555 2 processing 27555 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27555 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27555 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27555 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_AV800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode AV800 _NMR_spectrometer.Entry_ID 27555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27555 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 AV800 Bruker Avance . 800 . . . 27555 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27555 _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 '3D (H)CANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 27555 1 2 '3D (HCO)CA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 27555 1 3 '3D (HCA)CB(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 27555 1 4 '3D (HCA)CB(CACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 27555 1 5 '3D (H)CONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 27555 1 6 '3D (H)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $AV800 . . . . . . . . . . . . . . . . 27555 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27555 _Chem_shift_reference.ID 1 _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 . . . . . 27555 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27555 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27555 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27555 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 '3D (H)CANH' . . isotropic 27555 1 2 '3D (HCO)CA(CO)NH' . . isotropic 27555 1 3 '3D (HCA)CB(CA)NH' . . isotropic 27555 1 4 '3D (HCA)CB(CACO)NH' . . isotropic 27555 1 5 '3D (H)CONH' . . isotropic 27555 1 6 '3D (H)CO(CA)NH' . . isotropic 27555 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 $CcpNmr_Analysis . . 27555 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 6 6 TRP H H 1 8.526 . . 1 . . 1232 . . 6 TRP H . 27555 1 2 . 1 1 6 6 TRP N N 15 123.720 . . 1 . . 1487 . . 6 TRP N . 27555 1 3 . 1 1 7 7 ILE C C 13 173.876 . . 1 . . 1607 . . 7 ILE C . 27555 1 4 . 1 1 7 7 ILE CA C 13 61.133 . . 1 . . 1608 . . 7 ILE CA . 27555 1 5 . 1 1 8 8 GLN H H 1 7.577 0.019 . 1 . . 1205 . . 8 GLN H . 27555 1 6 . 1 1 8 8 GLN C C 13 175.758 0.01 . 1 . . 1345 . . 8 GLN C . 27555 1 7 . 1 1 8 8 GLN CA C 13 56.013 0.069 . 1 . . 1311 . . 8 GLN CA . 27555 1 8 . 1 1 8 8 GLN CB C 13 24.908 . . 1 . . 1312 . . 8 GLN CB . 27555 1 9 . 1 1 8 8 GLN N N 15 117.101 0.145 . 1 . . 1206 . . 8 GLN N . 27555 1 10 . 1 1 9 9 SER H H 1 8.067 0.014 . 1 . . 1204 . . 9 SER H . 27555 1 11 . 1 1 9 9 SER C C 13 172.387 . . 1 . . 1412 . . 9 SER C . 27555 1 12 . 1 1 9 9 SER CA C 13 57.963 . . 1 . . 1310 . . 9 SER CA . 27555 1 13 . 1 1 9 9 SER CB C 13 60.347 . . 1 . . 1413 . . 9 SER CB . 27555 1 14 . 1 1 9 9 SER N N 15 113.321 0.081 . 1 . . 1485 . . 9 SER N . 27555 1 15 . 1 1 10 10 LYS H H 1 7.462 0.021 . 1 . . 1186 . . 10 LYS H . 27555 1 16 . 1 1 10 10 LYS C C 13 173.096 0.008 . 1 . . 1327 . . 10 LYS C . 27555 1 17 . 1 1 10 10 LYS CA C 13 50.529 . . 1 . . 1307 . . 10 LYS CA . 27555 1 18 . 1 1 10 10 LYS CB C 13 27.408 . . 1 . . 1308 . . 10 LYS CB . 27555 1 19 . 1 1 10 10 LYS N N 15 119.721 0.211 . 1 . . 1484 . . 10 LYS N . 27555 1 20 . 1 1 11 11 ARG H H 1 7.203 0.011 . 1 . . 1147 . . 11 ARG H . 27555 1 21 . 1 1 11 11 ARG C C 13 173.263 0.07 . 1 . . 1462 . . 11 ARG C . 27555 1 22 . 1 1 11 11 ARG CA C 13 57.728 0.078 . 1 . . 1148 . . 11 ARG CA . 27555 1 23 . 1 1 11 11 ARG CB C 13 27.873 . . 1 . . 1309 . . 11 ARG CB . 27555 1 24 . 1 1 11 11 ARG N N 15 122.694 0.106 . 1 . . 1482 . . 11 ARG N . 27555 1 25 . 1 1 12 12 GLU H H 1 8.060 0.046 . 1 . . 1465 . . 12 GLU H . 27555 1 26 . 1 1 12 12 GLU C C 13 174.232 0.046 . 1 . . 1352 . . 12 GLU C . 27555 1 27 . 1 1 12 12 GLU CA C 13 56.428 0.066 . 1 . . 1347 . . 12 GLU CA . 27555 1 28 . 1 1 12 12 GLU CB C 13 27.271 0.064 . 1 . . 1348 . . 12 GLU CB . 27555 1 29 . 1 1 12 12 GLU N N 15 112.447 0.176 . 1 . . 1466 . . 12 GLU N . 27555 1 30 . 1 1 13 13 ASP H H 1 7.209 0.013 . 1 . . 1346 . . 13 ASP H . 27555 1 31 . 1 1 13 13 ASP C C 13 174.587 0.004 . 1 . . 1351 . . 13 ASP C . 27555 1 32 . 1 1 13 13 ASP CA C 13 53.581 0.013 . 1 . . 1349 . . 13 ASP CA . 27555 1 33 . 1 1 13 13 ASP CB C 13 38.231 0.017 . 1 . . 1350 . . 13 ASP CB . 27555 1 34 . 1 1 13 13 ASP N N 15 116.647 0.086 . 1 . . 1496 . . 13 ASP N . 27555 1 35 . 1 1 14 14 ILE H H 1 8.494 0.016 . 1 . . 1353 . . 14 ILE H . 27555 1 36 . 1 1 14 14 ILE C C 13 174.807 . . 1 . . 1603 . . 14 ILE C . 27555 1 37 . 1 1 14 14 ILE CA C 13 63.271 . . 1 . . 1374 . . 14 ILE CA . 27555 1 38 . 1 1 14 14 ILE CB C 13 34.717 . . 1 . . 1373 . . 14 ILE CB . 27555 1 39 . 1 1 14 14 ILE N N 15 120.313 0.117 . 1 . . 1354 . . 14 ILE N . 27555 1 40 . 1 1 18 18 MET C C 13 173.002 . . 1 . . 1599 . . 18 MET C . 27555 1 41 . 1 1 19 19 THR H H 1 9.019 0.027 . 1 . . 1598 . . 19 THR H . 27555 1 42 . 1 1 19 19 THR C C 13 171.851 0.108 . 1 . . 1386 . . 19 THR C . 27555 1 43 . 1 1 19 19 THR CA C 13 58.462 0.18 . 1 . . 1383 . . 19 THR CA . 27555 1 44 . 1 1 19 19 THR CB C 13 67.894 0.044 . 1 . . 1384 . . 19 THR CB . 27555 1 45 . 1 1 19 19 THR N N 15 118.798 0.069 . 1 . . 1597 . . 19 THR N . 27555 1 46 . 1 1 20 20 GLU H H 1 9.306 0.015 . 1 . . 1305 . . 20 GLU H . 27555 1 47 . 1 1 20 20 GLU C C 13 174.602 0.015 . 1 . . 1344 . . 20 GLU C . 27555 1 48 . 1 1 20 20 GLU CA C 13 57.298 0.009 . 1 . . 1303 . . 20 GLU CA . 27555 1 49 . 1 1 20 20 GLU CB C 13 26.433 0.051 . 1 . . 1304 . . 20 GLU CB . 27555 1 50 . 1 1 20 20 GLU N N 15 120.244 0.214 . 1 . . 1306 . . 20 GLU N . 27555 1 51 . 1 1 21 21 ALA H H 1 8.597 0.02 . 1 . . 1218 . . 21 ALA H . 27555 1 52 . 1 1 21 21 ALA C C 13 176.196 0.028 . 1 . . 1392 . . 21 ALA C . 27555 1 53 . 1 1 21 21 ALA CA C 13 51.865 0.019 . 1 . . 1301 . . 21 ALA CA . 27555 1 54 . 1 1 21 21 ALA CB C 13 15.962 . . 1 . . 1302 . . 21 ALA CB . 27555 1 55 . 1 1 21 21 ALA N N 15 116.910 0.143 . 1 . . 1494 . . 21 ALA N . 27555 1 56 . 1 1 22 22 CYS H H 1 7.512 0.01 . 1 . . 1229 . . 22 CYS H . 27555 1 57 . 1 1 22 22 CYS C C 13 173.813 0.033 . 1 . . 1393 . . 22 CYS C . 27555 1 58 . 1 1 22 22 CYS CA C 13 59.554 0.078 . 1 . . 1300 . . 22 CYS CA . 27555 1 59 . 1 1 22 22 CYS N N 15 122.609 0.101 . 1 . . 1493 . . 22 CYS N . 27555 1 60 . 1 1 23 23 LEU H H 1 8.295 0.026 . 1 . . 1230 . . 23 LEU H . 27555 1 61 . 1 1 23 23 LEU C C 13 174.991 . . 1 . . 1600 . . 23 LEU C . 27555 1 62 . 1 1 23 23 LEU CA C 13 55.239 0.023 . 1 . . 1234 . . 23 LEU CA . 27555 1 63 . 1 1 23 23 LEU CB C 13 37.214 0.055 . 1 . . 1404 . . 23 LEU CB . 27555 1 64 . 1 1 23 23 LEU N N 15 125.612 0.063 . 1 . . 1231 . . 23 LEU N . 27555 1 65 . 1 1 24 24 ASN H H 1 8.597 0.017 . 1 . . 1228 . . 24 ASN H . 27555 1 66 . 1 1 24 24 ASN C C 13 174.166 . . 1 . . 1604 . . 24 ASN C . 27555 1 67 . 1 1 24 24 ASN CA C 13 52.816 0.038 . 1 . . 1299 . . 24 ASN CA . 27555 1 68 . 1 1 24 24 ASN CB C 13 34.503 0.032 . 1 . . 1298 . . 24 ASN CB . 27555 1 69 . 1 1 24 24 ASN N N 15 118.365 0.122 . 1 . . 1516 . . 24 ASN N . 27555 1 70 . 1 1 25 25 GLN H H 1 8.658 0.026 . 1 . . 1226 . . 25 GLN H . 27555 1 71 . 1 1 25 25 GLN C C 13 175.620 . . 1 . . 1323 . . 25 GLN C . 27555 1 72 . 1 1 25 25 GLN CA C 13 55.976 0.022 . 1 . . 1296 . . 25 GLN CA . 27555 1 73 . 1 1 25 25 GLN CB C 13 26.914 . . 1 . . 1297 . . 25 GLN CB . 27555 1 74 . 1 1 25 25 GLN N N 15 119.754 0.077 . 1 . . 1227 . . 25 GLN N . 27555 1 75 . 1 1 26 26 SER H H 1 8.204 0.016 . 1 . . 1219 . . 26 SER H . 27555 1 76 . 1 1 26 26 SER C C 13 172.142 . . 1 . . 1410 . . 26 SER C . 27555 1 77 . 1 1 26 26 SER CA C 13 60.851 0.031 . 1 . . 1293 . . 26 SER CA . 27555 1 78 . 1 1 26 26 SER CB C 13 59.660 0.073 . 1 . . 1411 . . 26 SER CB . 27555 1 79 . 1 1 26 26 SER N N 15 117.024 0.108 . 1 . . 1498 . . 26 SER N . 27555 1 80 . 1 1 27 27 LEU H H 1 7.866 0.011 . 1 . . 1220 . . 27 LEU H . 27555 1 81 . 1 1 27 27 LEU C C 13 175.100 0.007 . 1 . . 1334 . . 27 LEU C . 27555 1 82 . 1 1 27 27 LEU CA C 13 55.228 . . 1 . . 1291 . . 27 LEU CA . 27555 1 83 . 1 1 27 27 LEU CB C 13 38.134 0.081 . 1 . . 1292 . . 27 LEU CB . 27555 1 84 . 1 1 27 27 LEU N N 15 120.655 0.079 . 1 . . 1221 . . 27 LEU N . 27555 1 85 . 1 1 28 28 ASP H H 1 8.659 0.013 . 1 . . 1222 . . 28 ASP H . 27555 1 86 . 1 1 28 28 ASP C C 13 175.238 0.022 . 1 . . 1325 . . 28 ASP C . 27555 1 87 . 1 1 28 28 ASP CA C 13 55.143 . . 1 . . 1294 . . 28 ASP CA . 27555 1 88 . 1 1 28 28 ASP CB C 13 37.944 . . 1 . . 1295 . . 28 ASP CB . 27555 1 89 . 1 1 28 28 ASP N N 15 118.571 0.045 . 1 . . 1223 . . 28 ASP N . 27555 1 90 . 1 1 29 29 ALA H H 1 8.162 0.025 . 1 . . 1215 . . 29 ALA H . 27555 1 91 . 1 1 29 29 ALA C C 13 176.985 0.032 . 1 . . 1420 . . 29 ALA C . 27555 1 92 . 1 1 29 29 ALA CA C 13 51.570 0.042 . 1 . . 1290 . . 29 ALA CA . 27555 1 93 . 1 1 29 29 ALA CB C 13 15.967 0.079 . 1 . . 1421 . . 29 ALA CB . 27555 1 94 . 1 1 29 29 ALA N N 15 123.451 0.057 . 1 . . 1481 . . 29 ALA N . 27555 1 95 . 1 1 30 30 LEU H H 1 8.060 0.019 . 1 . . 1213 . . 30 LEU H . 27555 1 96 . 1 1 30 30 LEU C C 13 176.539 0.002 . 1 . . 1322 . . 30 LEU C . 27555 1 97 . 1 1 30 30 LEU CA C 13 54.938 0.025 . 1 . . 1289 . . 30 LEU CA . 27555 1 98 . 1 1 30 30 LEU CB C 13 39.185 0.011 . 1 . . 1288 . . 30 LEU CB . 27555 1 99 . 1 1 30 30 LEU N N 15 120.012 0.121 . 1 . . 1214 . . 30 LEU N . 27555 1 100 . 1 1 31 31 LEU H H 1 8.725 0.007 . 1 . . 1216 . . 31 LEU H . 27555 1 101 . 1 1 31 31 LEU C C 13 178.059 0.014 . 1 . . 1401 . . 31 LEU C . 27555 1 102 . 1 1 31 31 LEU CA C 13 54.845 0.011 . 1 . . 1402 . . 31 LEU CA . 27555 1 103 . 1 1 31 31 LEU CB C 13 39.479 0.038 . 1 . . 1287 . . 31 LEU CB . 27555 1 104 . 1 1 31 31 LEU N N 15 121.757 0.09 . 1 . . 1513 . . 31 LEU N . 27555 1 105 . 1 1 32 32 SER H H 1 8.355 0.011 . 1 . . 1217 . . 32 SER H . 27555 1 106 . 1 1 32 32 SER C C 13 172.416 0.019 . 1 . . 1416 . . 32 SER C . 27555 1 107 . 1 1 32 32 SER CA C 13 58.309 0.0 . 1 . . 1286 . . 32 SER CA . 27555 1 108 . 1 1 32 32 SER CB C 13 60.942 0.057 . 1 . . 1417 . . 32 SER CB . 27555 1 109 . 1 1 32 32 SER N N 15 117.194 0.058 . 1 . . 1517 . . 32 SER N . 27555 1 110 . 1 1 33 33 ARG H H 1 7.037 0.018 . 1 . . 1283 . . 33 ARG H . 27555 1 111 . 1 1 33 33 ARG C C 13 171.319 0.037 . 1 . . 1333 . . 33 ARG C . 27555 1 112 . 1 1 33 33 ARG CA C 13 52.158 0.066 . 1 . . 1285 . . 33 ARG CA . 27555 1 113 . 1 1 33 33 ARG CB C 13 28.057 0.035 . 1 . . 1282 . . 33 ARG CB . 27555 1 114 . 1 1 33 33 ARG N N 15 117.754 0.036 . 1 . . 1284 . . 33 ARG N . 27555 1 115 . 1 1 34 34 ASP H H 1 8.113 0.015 . 1 . . 1281 . . 34 ASP H . 27555 1 116 . 1 1 34 34 ASP C C 13 172.253 0.029 . 1 . . 1318 . . 34 ASP C . 27555 1 117 . 1 1 34 34 ASP CA C 13 52.121 0.031 . 1 . . 1279 . . 34 ASP CA . 27555 1 118 . 1 1 34 34 ASP CB C 13 37.086 0.013 . 1 . . 1280 . . 34 ASP CB . 27555 1 119 . 1 1 34 34 ASP N N 15 118.955 0.106 . 1 . . 1511 . . 34 ASP N . 27555 1 120 . 1 1 35 35 LEU H H 1 8.343 0.02 . 1 . . 1155 . . 35 LEU H . 27555 1 121 . 1 1 35 35 LEU C C 13 172.333 0.0 . 1 . . 1361 . . 35 LEU C . 27555 1 122 . 1 1 35 35 LEU CA C 13 52.180 0.006 . 1 . . 1278 . . 35 LEU CA . 27555 1 123 . 1 1 35 35 LEU CB C 13 41.590 0.07 . 1 . . 1357 . . 35 LEU CB . 27555 1 124 . 1 1 35 35 LEU N N 15 114.844 0.083 . 1 . . 1156 . . 35 LEU N . 27555 1 125 . 1 1 36 36 ILE H H 1 6.800 0.007 . 1 . . 1157 . . 36 ILE H . 27555 1 126 . 1 1 36 36 ILE C C 13 169.772 0.019 . 1 . . 1400 . . 36 ILE C . 27555 1 127 . 1 1 36 36 ILE CA C 13 53.795 0.022 . 1 . . 1372 . . 36 ILE CA . 27555 1 128 . 1 1 36 36 ILE CB C 13 39.202 0.003 . 1 . . 1371 . . 36 ILE CB . 27555 1 129 . 1 1 36 36 ILE N N 15 114.122 0.079 . 1 . . 1472 . . 36 ILE N . 27555 1 130 . 1 1 37 37 MET H H 1 9.863 0.022 . 1 . . 1158 . . 37 MET H . 27555 1 131 . 1 1 37 37 MET C C 13 174.965 . . 1 . . 1332 . . 37 MET C . 27555 1 132 . 1 1 37 37 MET CA C 13 53.237 0.032 . 1 . . 1159 . . 37 MET CA . 27555 1 133 . 1 1 37 37 MET CB C 13 30.433 . . 1 . . 1277 . . 37 MET CB . 27555 1 134 . 1 1 37 37 MET N N 15 127.860 0.039 . 1 . . 1471 . . 37 MET N . 27555 1 135 . 1 1 38 38 LYS H H 1 8.923 0.04 . 1 . . 1160 . . 38 LYS H . 27555 1 136 . 1 1 38 38 LYS C C 13 175.294 0.063 . 1 . . 1316 . . 38 LYS C . 27555 1 137 . 1 1 38 38 LYS CA C 13 57.414 0.032 . 1 . . 1161 . . 38 LYS CA . 27555 1 138 . 1 1 38 38 LYS CB C 13 26.866 . . 1 . . 1276 . . 38 LYS CB . 27555 1 139 . 1 1 38 38 LYS N N 15 125.454 0.081 . 1 . . 1489 . . 38 LYS N . 27555 1 140 . 1 1 39 39 GLU H H 1 9.387 0.015 . 1 . . 1275 . . 39 GLU H . 27555 1 141 . 1 1 39 39 GLU C C 13 174.580 0.001 . 1 . . 1331 . . 39 GLU C . 27555 1 142 . 1 1 39 39 GLU CA C 13 56.317 0.013 . 1 . . 1163 . . 39 GLU CA . 27555 1 143 . 1 1 39 39 GLU CB C 13 25.654 0.048 . 1 . . 1274 . . 39 GLU CB . 27555 1 144 . 1 1 39 39 GLU N N 15 117.528 0.078 . 1 . . 1162 . . 39 GLU N . 27555 1 145 . 1 1 40 40 ASP H H 1 6.656 0.007 . 1 . . 1164 . . 40 ASP H . 27555 1 146 . 1 1 40 40 ASP C C 13 175.750 0.011 . 1 . . 1326 . . 40 ASP C . 27555 1 147 . 1 1 40 40 ASP CA C 13 54.979 0.013 . 1 . . 1166 . . 40 ASP CA . 27555 1 148 . 1 1 40 40 ASP CB C 13 37.659 0.053 . 1 . . 1273 . . 40 ASP CB . 27555 1 149 . 1 1 40 40 ASP N N 15 118.122 0.084 . 1 . . 1165 . . 40 ASP N . 27555 1 150 . 1 1 41 41 TYR H H 1 8.332 0.029 . 1 . . 1167 . . 41 TYR H . 27555 1 151 . 1 1 41 41 TYR C C 13 174.396 0.02 . 1 . . 1330 . . 41 TYR C . 27555 1 152 . 1 1 41 41 TYR CA C 13 57.627 0.049 . 1 . . 1367 . . 41 TYR CA . 27555 1 153 . 1 1 41 41 TYR CB C 13 34.025 0.063 . 1 . . 1272 . . 41 TYR CB . 27555 1 154 . 1 1 41 41 TYR N N 15 123.023 0.047 . 1 . . 1483 . . 41 TYR N . 27555 1 155 . 1 1 42 42 GLU H H 1 8.886 0.015 . 1 . . 1168 . . 42 GLU H . 27555 1 156 . 1 1 42 42 GLU C C 13 176.149 0.002 . 1 . . 1329 . . 42 GLU C . 27555 1 157 . 1 1 42 42 GLU CA C 13 56.172 0.026 . 1 . . 1169 . . 42 GLU CA . 27555 1 158 . 1 1 42 42 GLU CB C 13 26.505 0.064 . 1 . . 1271 . . 42 GLU CB . 27555 1 159 . 1 1 42 42 GLU N N 15 123.349 0.121 . 1 . . 1491 . . 42 GLU N . 27555 1 160 . 1 1 43 43 LEU H H 1 8.387 0.011 . 1 . . 1187 . . 43 LEU H . 27555 1 161 . 1 1 43 43 LEU C C 13 176.002 0.005 . 1 . . 1321 . . 43 LEU C . 27555 1 162 . 1 1 43 43 LEU CA C 13 54.488 0.01 . 1 . . 1270 . . 43 LEU CA . 27555 1 163 . 1 1 43 43 LEU CB C 13 39.748 0.061 . 1 . . 1269 . . 43 LEU CB . 27555 1 164 . 1 1 43 43 LEU N N 15 120.424 0.07 . 1 . . 1188 . . 43 LEU N . 27555 1 165 . 1 1 44 44 VAL H H 1 7.443 0.013 . 1 . . 1268 . . 44 VAL H . 27555 1 166 . 1 1 44 44 VAL C C 13 173.403 0.016 . 1 . . 1314 . . 44 VAL C . 27555 1 167 . 1 1 44 44 VAL CA C 13 63.452 0.097 . 1 . . 1266 . . 44 VAL CA . 27555 1 168 . 1 1 44 44 VAL CB C 13 28.804 0.068 . 1 . . 1267 . . 44 VAL CB . 27555 1 169 . 1 1 44 44 VAL N N 15 116.695 0.067 . 1 . . 1478 . . 44 VAL N . 27555 1 170 . 1 1 45 45 SER H H 1 7.883 0.013 . 1 . . 1152 . . 45 SER H . 27555 1 171 . 1 1 45 45 SER C C 13 171.996 . . 1 . . 1414 . . 45 SER C . 27555 1 172 . 1 1 45 45 SER CA C 13 58.271 0.018 . 1 . . 1153 . . 45 SER CA . 27555 1 173 . 1 1 45 45 SER CB C 13 60.948 0.09 . 1 . . 1415 . . 45 SER CB . 27555 1 174 . 1 1 45 45 SER N N 15 109.324 0.024 . 1 . . 1470 . . 45 SER N . 27555 1 175 . 1 1 46 46 THR H H 1 7.497 0.011 . 1 . . 1149 . . 46 THR H . 27555 1 176 . 1 1 46 46 THR C C 13 172.583 0.006 . 1 . . 1387 . . 46 THR C . 27555 1 177 . 1 1 46 46 THR CA C 13 58.262 0.008 . 1 . . 1382 . . 46 THR CA . 27555 1 178 . 1 1 46 46 THR CB C 13 66.977 0.097 . 1 . . 1381 . . 46 THR CB . 27555 1 179 . 1 1 46 46 THR N N 15 107.111 0.074 . 1 . . 1468 . . 46 THR N . 27555 1 180 . 1 1 47 47 LYS H H 1 7.068 0.01 . 1 . . 1150 . . 47 LYS H . 27555 1 181 . 1 1 47 47 LYS C C 13 173.143 . . 1 . . 1328 . . 47 LYS C . 27555 1 182 . 1 1 47 47 LYS CA C 13 50.556 . . 1 . . 1151 . . 47 LYS CA . 27555 1 183 . 1 1 47 47 LYS CB C 13 26.437 . . 1 . . 1265 . . 47 LYS CB . 27555 1 184 . 1 1 47 47 LYS N N 15 123.879 0.102 . 1 . . 1475 . . 47 LYS N . 27555 1 185 . 1 1 48 48 PRO C C 13 174.048 . . 1 . . 1313 . . 48 PRO C . 27555 1 186 . 1 1 48 48 PRO CA C 13 62.041 . . 1 . . 1388 . . 48 PRO CA . 27555 1 187 . 1 1 48 48 PRO CB C 13 29.587 . . 1 . . 1389 . . 48 PRO CB . 27555 1 188 . 1 1 49 49 THR H H 1 6.833 0.006 . 1 . . 1154 . . 49 THR H . 27555 1 189 . 1 1 49 49 THR C C 13 170.071 0.02 . 1 . . 1379 . . 49 THR C . 27555 1 190 . 1 1 49 49 THR CA C 13 54.758 0.0 . 1 . . 1377 . . 49 THR CA . 27555 1 191 . 1 1 49 49 THR CB C 13 69.708 . . 1 . . 1378 . . 49 THR CB . 27555 1 192 . 1 1 49 49 THR N N 15 104.247 0.025 . 1 . . 1467 . . 49 THR N . 27555 1 193 . 1 1 50 50 ARG H H 1 8.906 0.009 . 1 . . 1184 . . 50 ARG H . 27555 1 194 . 1 1 50 50 ARG C C 13 174.571 0.049 . 1 . . 1315 . . 50 ARG C . 27555 1 195 . 1 1 50 50 ARG CA C 13 57.179 0.04 . 1 . . 1185 . . 50 ARG CA . 27555 1 196 . 1 1 50 50 ARG CB C 13 25.617 . . 1 . . 1264 . . 50 ARG CB . 27555 1 197 . 1 1 50 50 ARG N N 15 124.653 0.14 . 1 . . 1490 . . 50 ARG N . 27555 1 198 . 1 1 51 51 THR H H 1 9.057 0.004 . 1 . . 1195 . . 51 THR H . 27555 1 199 . 1 1 51 51 THR C C 13 172.250 . . 1 . . 1319 . . 51 THR C . 27555 1 200 . 1 1 51 51 THR CA C 13 65.272 . . 1 . . 1262 . . 51 THR CA . 27555 1 201 . 1 1 51 51 THR CB C 13 66.639 . . 1 . . 1263 . . 51 THR CB . 27555 1 202 . 1 1 51 51 THR N N 15 113.766 0.067 . 1 . . 1477 . . 51 THR N . 27555 1 203 . 1 1 52 52 SER H H 1 8.083 0.012 . 1 . . 1194 . . 52 SER H . 27555 1 204 . 1 1 52 52 SER C C 13 175.544 0.003 . 1 . . 1408 . . 52 SER C . 27555 1 205 . 1 1 52 52 SER CA C 13 58.450 0.064 . 1 . . 1261 . . 52 SER CA . 27555 1 206 . 1 1 52 52 SER CB C 13 60.305 0.033 . 1 . . 1409 . . 52 SER CB . 27555 1 207 . 1 1 52 52 SER N N 15 114.258 0.108 . 1 . . 1486 . . 52 SER N . 27555 1 208 . 1 1 53 53 LYS H H 1 8.479 0.013 . 1 . . 1193 . . 53 LYS H . 27555 1 209 . 1 1 53 53 LYS C C 13 175.063 0.009 . 1 . . 1340 . . 53 LYS C . 27555 1 210 . 1 1 53 53 LYS CA C 13 57.507 0.019 . 1 . . 1233 . . 53 LYS CA . 27555 1 211 . 1 1 53 53 LYS CB C 13 31.504 0.035 . 1 . . 1436 . . 53 LYS CB . 27555 1 212 . 1 1 53 53 LYS N N 15 126.215 0.117 . 1 . . 1474 . . 53 LYS N . 27555 1 213 . 1 1 54 54 VAL H H 1 8.281 0.016 . 1 . . 1191 . . 54 VAL H . 27555 1 214 . 1 1 54 54 VAL C C 13 175.242 0.0 . 1 . . 1422 . . 54 VAL C . 27555 1 215 . 1 1 54 54 VAL CA C 13 63.647 0.101 . 1 . . 1519 . . 54 VAL CA . 27555 1 216 . 1 1 54 54 VAL CB C 13 28.485 . . 1 . . 1518 . . 54 VAL CB . 27555 1 217 . 1 1 54 54 VAL N N 15 118.824 0.083 . 1 . . 1192 . . 54 VAL N . 27555 1 218 . 1 1 55 55 ARG H H 1 8.756 0.011 . 1 . . 1189 . . 55 ARG H . 27555 1 219 . 1 1 55 55 ARG C C 13 174.211 0.031 . 1 . . 1341 . . 55 ARG C . 27555 1 220 . 1 1 55 55 ARG CA C 13 58.266 0.039 . 1 . . 1259 . . 55 ARG CA . 27555 1 221 . 1 1 55 55 ARG CB C 13 26.870 0.007 . 1 . . 1260 . . 55 ARG CB . 27555 1 222 . 1 1 55 55 ARG N N 15 118.431 0.014 . 1 . . 1190 . . 55 ARG N . 27555 1 223 . 1 1 56 56 GLN H H 1 8.134 0.013 . 1 . . 1202 . . 56 GLN H . 27555 1 224 . 1 1 56 56 GLN C C 13 176.175 0.006 . 1 . . 1324 . . 56 GLN C . 27555 1 225 . 1 1 56 56 GLN CA C 13 55.073 0.037 . 1 . . 1258 . . 56 GLN CA . 27555 1 226 . 1 1 56 56 GLN CB C 13 24.019 0.052 . 1 . . 1257 . . 56 GLN CB . 27555 1 227 . 1 1 56 56 GLN N N 15 118.262 0.081 . 1 . . 1203 . . 56 GLN N . 27555 1 228 . 1 1 57 57 LEU H H 1 8.603 0.01 . 1 . . 1256 . . 57 LEU H . 27555 1 229 . 1 1 57 57 LEU C C 13 176.921 0.014 . 1 . . 1342 . . 57 LEU C . 27555 1 230 . 1 1 57 57 LEU CA C 13 55.384 0.001 . 1 . . 1255 . . 57 LEU CA . 27555 1 231 . 1 1 57 57 LEU CB C 13 37.507 0.057 . 1 . . 1254 . . 57 LEU CB . 27555 1 232 . 1 1 57 57 LEU N N 15 124.504 0.135 . 1 . . 1515 . . 57 LEU N . 27555 1 233 . 1 1 58 58 LEU H H 1 8.944 0.009 . 1 . . 1252 . . 58 LEU H . 27555 1 234 . 1 1 58 58 LEU C C 13 176.499 0.052 . 1 . . 1360 . . 58 LEU C . 27555 1 235 . 1 1 58 58 LEU CA C 13 55.355 . . 1 . . 1253 . . 58 LEU CA . 27555 1 236 . 1 1 58 58 LEU CB C 13 36.026 0.006 . 1 . . 1359 . . 58 LEU CB . 27555 1 237 . 1 1 58 58 LEU N N 15 123.701 0.119 . 1 . . 1514 . . 58 LEU N . 27555 1 238 . 1 1 59 59 ASP H H 1 9.221 0.016 . 1 . . 1207 . . 59 ASP H . 27555 1 239 . 1 1 59 59 ASP C C 13 176.188 . . 1 . . 1343 . . 59 ASP C . 27555 1 240 . 1 1 59 59 ASP CA C 13 54.242 0.021 . 1 . . 1236 . . 59 ASP CA . 27555 1 241 . 1 1 59 59 ASP CB C 13 36.464 0.024 . 1 . . 1249 . . 59 ASP CB . 27555 1 242 . 1 1 59 59 ASP N N 15 123.475 0.142 . 1 . . 1492 . . 59 ASP N . 27555 1 243 . 1 1 60 60 THR H H 1 8.008 0.018 . 1 . . 1210 . . 60 THR H . 27555 1 244 . 1 1 60 60 THR C C 13 171.825 . . 1 . . 1424 . . 60 THR C . 27555 1 245 . 1 1 60 60 THR CA C 13 63.901 0.021 . 1 . . 1442 . . 60 THR CA . 27555 1 246 . 1 1 60 60 THR CB C 13 65.840 0.093 . 1 . . 1443 . . 60 THR CB . 27555 1 247 . 1 1 60 60 THR N N 15 117.340 0.094 . 1 . . 1211 . . 60 THR N . 27555 1 248 . 1 1 61 61 THR H H 1 8.265 0.023 . 1 . . 1212 . . 61 THR H . 27555 1 249 . 1 1 61 61 THR C C 13 171.606 0.066 . 1 . . 1425 . . 61 THR C . 27555 1 250 . 1 1 61 61 THR CA C 13 63.974 . . 1 . . 1247 . . 61 THR CA . 27555 1 251 . 1 1 61 61 THR CB C 13 65.498 . . 1 . . 1248 . . 61 THR CB . 27555 1 252 . 1 1 61 61 THR N N 15 120.346 0.057 . 1 . . 1476 . . 61 THR N . 27555 1 253 . 1 1 62 62 ASP H H 1 7.401 0.007 . 1 . . 1576 . . 62 ASP H . 27555 1 254 . 1 1 62 62 ASP C C 13 175.530 . . 1 . . 1605 . . 62 ASP C . 27555 1 255 . 1 1 62 62 ASP CA C 13 53.736 . . 1 . . 1579 . . 62 ASP CA . 27555 1 256 . 1 1 62 62 ASP CB C 13 39.079 . . 1 . . 1578 . . 62 ASP CB . 27555 1 257 . 1 1 62 62 ASP N N 15 117.401 0.088 . 1 . . 1577 . . 62 ASP N . 27555 1 258 . 1 1 63 63 ILE H H 1 6.807 0.006 . 1 . . 1172 . . 63 ILE H . 27555 1 259 . 1 1 63 63 ILE CA C 13 59.296 . . 1 . . 1601 . . 63 ILE CA . 27555 1 260 . 1 1 63 63 ILE N N 15 115.088 0.017 . 1 . . 1173 . . 63 ILE N . 27555 1 261 . 1 1 64 64 GLN H H 1 8.013 . . 1 . . 1170 . . 64 GLN H . 27555 1 262 . 1 1 64 64 GLN N N 15 117.207 . . 1 . . 1171 . . 64 GLN N . 27555 1 263 . 1 1 65 65 GLY H H 1 7.881 . . 1 . . 1174 . . 65 GLY H . 27555 1 264 . 1 1 65 65 GLY C C 13 171.206 . . 1 . . 1339 . . 65 GLY C . 27555 1 265 . 1 1 65 65 GLY CA C 13 42.292 . . 1 . . 1246 . . 65 GLY CA . 27555 1 266 . 1 1 65 65 GLY N N 15 104.368 . . 1 . . 1175 . . 65 GLY N . 27555 1 267 . 1 1 66 66 GLU H H 1 8.355 0.014 . 1 . . 1200 . . 66 GLU H . 27555 1 268 . 1 1 66 66 GLU C C 13 174.868 0.001 . 1 . . 1338 . . 66 GLU C . 27555 1 269 . 1 1 66 66 GLU CA C 13 55.877 0.052 . 1 . . 1245 . . 66 GLU CA . 27555 1 270 . 1 1 66 66 GLU CB C 13 27.423 0.066 . 1 . . 1244 . . 66 GLU CB . 27555 1 271 . 1 1 66 66 GLU N N 15 120.740 0.118 . 1 . . 1201 . . 66 GLU N . 27555 1 272 . 1 1 67 67 GLU H H 1 8.709 0.015 . 1 . . 1198 . . 67 GLU H . 27555 1 273 . 1 1 67 67 GLU C C 13 175.153 0.036 . 1 . . 1317 . . 67 GLU C . 27555 1 274 . 1 1 67 67 GLU CA C 13 56.579 0.003 . 1 . . 1243 . . 67 GLU CA . 27555 1 275 . 1 1 67 67 GLU CB C 13 25.783 0.063 . 1 . . 1242 . . 67 GLU CB . 27555 1 276 . 1 1 67 67 GLU N N 15 118.190 0.028 . 1 . . 1199 . . 67 GLU N . 27555 1 277 . 1 1 68 68 PHE H H 1 7.749 0.013 . 1 . . 1197 . . 68 PHE H . 27555 1 278 . 1 1 68 68 PHE C C 13 173.759 0.01 . 1 . . 1337 . . 68 PHE C . 27555 1 279 . 1 1 68 68 PHE CA C 13 56.664 0.033 . 1 . . 1363 . . 68 PHE CA . 27555 1 280 . 1 1 68 68 PHE CB C 13 37.573 0.059 . 1 . . 1241 . . 68 PHE CB . 27555 1 281 . 1 1 68 68 PHE N N 15 120.477 0.121 . 1 . . 1488 . . 68 PHE N . 27555 1 282 . 1 1 69 69 ALA H H 1 8.053 0.017 . 1 . . 1196 . . 69 ALA H . 27555 1 283 . 1 1 69 69 ALA C C 13 175.876 0.057 . 1 . . 1335 . . 69 ALA C . 27555 1 284 . 1 1 69 69 ALA CA C 13 52.143 0.008 . 1 . . 1239 . . 69 ALA CA . 27555 1 285 . 1 1 69 69 ALA CB C 13 15.362 0.01 . 1 . . 1240 . . 69 ALA CB . 27555 1 286 . 1 1 69 69 ALA N N 15 118.447 0.06 . 1 . . 1495 . . 69 ALA N . 27555 1 287 . 1 1 70 70 LYS H H 1 8.809 0.013 . 1 . . 1179 . . 70 LYS H . 27555 1 288 . 1 1 70 70 LYS C C 13 175.607 0.055 . 1 . . 1320 . . 70 LYS C . 27555 1 289 . 1 1 70 70 LYS CA C 13 57.419 0.081 . 1 . . 1180 . . 70 LYS CA . 27555 1 290 . 1 1 70 70 LYS CB C 13 29.701 0.056 . 1 . . 1238 . . 70 LYS CB . 27555 1 291 . 1 1 70 70 LYS N N 15 116.744 0.145 . 1 . . 1497 . . 70 LYS N . 27555 1 292 . 1 1 71 71 VAL H H 1 7.187 0.01 . 1 . . 1176 . . 71 VAL H . 27555 1 293 . 1 1 71 71 VAL C C 13 174.099 0.018 . 1 . . 1336 . . 71 VAL C . 27555 1 294 . 1 1 71 71 VAL CA C 13 63.074 0.105 . 1 . . 1178 . . 71 VAL CA . 27555 1 295 . 1 1 71 71 VAL CB C 13 28.476 0.056 . 1 . . 1237 . . 71 VAL CB . 27555 1 296 . 1 1 71 71 VAL N N 15 118.526 0.13 . 1 . . 1177 . . 71 VAL N . 27555 1 297 . 1 1 72 72 ILE H H 1 6.958 0.014 . 1 . . 1181 . . 72 ILE H . 27555 1 298 . 1 1 72 72 ILE C C 13 174.614 0.027 . 1 . . 1602 . . 72 ILE C . 27555 1 299 . 1 1 72 72 ILE CA C 13 61.563 0.028 . 1 . . 1430 . . 72 ILE CA . 27555 1 300 . 1 1 72 72 ILE CB C 13 34.520 . . 1 . . 1427 . . 72 ILE CB . 27555 1 301 . 1 1 72 72 ILE N N 15 118.304 0.106 . 1 . . 1182 . . 72 ILE N . 27555 1 302 . 1 1 73 73 VAL H H 1 8.181 0.018 . 1 . . 1183 . . 73 VAL H . 27555 1 303 . 1 1 73 73 VAL C C 13 173.767 0.031 . 1 . . 1609 . . 73 VAL C . 27555 1 304 . 1 1 73 73 VAL CA C 13 64.362 . . 1 . . 1394 . . 73 VAL CA . 27555 1 305 . 1 1 73 73 VAL CB C 13 28.252 0.063 . 1 . . 1395 . . 73 VAL CB . 27555 1 306 . 1 1 73 73 VAL N N 15 117.291 0.115 . 1 . . 1479 . . 73 VAL N . 27555 1 307 . 1 1 74 74 GLN H H 1 7.921 0.023 . 1 . . 1396 . . 74 GLN H . 27555 1 308 . 1 1 74 74 GLN C C 13 174.607 . . 1 . . 1610 . . 74 GLN C . 27555 1 309 . 1 1 74 74 GLN CA C 13 55.736 . . 1 . . 1398 . . 74 GLN CA . 27555 1 310 . 1 1 74 74 GLN CB C 13 25.072 . . 1 . . 1399 . . 74 GLN CB . 27555 1 311 . 1 1 74 74 GLN N N 15 117.519 0.134 . 1 . . 1397 . . 74 GLN N . 27555 1 stop_ save_