data_26884 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26884 _Entry.Title ; Backbone assignment of Rhea (talin) F0. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-01 _Entry.Accession_date 2016-09-01 _Entry.Last_release_date 2016-09-01 _Entry.Original_release_date 2016-09-01 _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 solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Will Castle . . . . 26884 2 Guy Tanentzapf . . . . 26884 3 Ben Goult . T. . . 26884 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26884 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 26884 '15N chemical shifts' 83 26884 '1H chemical shifts' 83 26884 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 . . 2019-04-25 2016-09-01 update BMRB 'update entry citation' 26884 1 . . 2018-11-26 2016-09-01 original author 'original release' 26884 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26884 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30446511 _Citation.Full_citation . _Citation.Title ; Direct binding of Talin to Rap1 is required for cell-ECM adhesion in Drosophila ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Cell. Sci.' _Citation.Journal_name_full 'Journal of cell science' _Citation.Journal_volume 131 _Citation.Journal_issue 24 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1477-9137 _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 225144 _Citation.Page_last 225144 _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 D Camp D. . . . 26884 1 2 A Haage A. . . . 26884 1 3 V Solianova V. . . . 26884 1 4 W Castle W. M. . . 26884 1 5 Q Xu Q. A. . . 26884 1 6 E Lostchuck E. . . . 26884 1 7 B Goult B. T. . . 26884 1 8 G Tanentzapf G. . . . 26884 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID adhesion 26884 1 drosophila 26884 1 integrin 26884 1 rap1 26884 1 talin 26884 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26884 _Assembly.ID 1 _Assembly.Name 'rhea F0' _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 10243.5 _Assembly.Enzyme_commission_number . _Assembly.Details 'rhea F0 domain' _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 'rhea F0' 1 $Rhea A . yes native no no . . . 26884 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'adhesion protein' 26884 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rhea _Entity.Sf_category entity _Entity.Sf_framecode Rhea _Entity.Entry_ID 26884 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rhea _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMMSTLSLRIQLEGGRVTKT IQFQPNTTVFDACKVIRDKF AEAVQGQPSEYGLFISDEQN QQGVWLEPGRTLGYYILHNQ DTLEYRRKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-87 of drosophila talin (Rhea); F0 domain' _Entity.Polymer_author_seq_details 'Residues 1-2 represent a non-native affinity tag' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10243.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'adhesion protein' 26884 1 stop_ 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 1 SER . 26884 1 2 2 MET . 26884 1 3 3 MET . 26884 1 4 4 SER . 26884 1 5 5 THR . 26884 1 6 6 LEU . 26884 1 7 7 SER . 26884 1 8 8 LEU . 26884 1 9 9 ARG . 26884 1 10 10 ILE . 26884 1 11 11 GLN . 26884 1 12 12 LEU . 26884 1 13 13 GLU . 26884 1 14 14 GLY . 26884 1 15 15 GLY . 26884 1 16 16 ARG . 26884 1 17 17 VAL . 26884 1 18 18 THR . 26884 1 19 19 LYS . 26884 1 20 20 THR . 26884 1 21 21 ILE . 26884 1 22 22 GLN . 26884 1 23 23 PHE . 26884 1 24 24 GLN . 26884 1 25 25 PRO . 26884 1 26 26 ASN . 26884 1 27 27 THR . 26884 1 28 28 THR . 26884 1 29 29 VAL . 26884 1 30 30 PHE . 26884 1 31 31 ASP . 26884 1 32 32 ALA . 26884 1 33 33 CYS . 26884 1 34 34 LYS . 26884 1 35 35 VAL . 26884 1 36 36 ILE . 26884 1 37 37 ARG . 26884 1 38 38 ASP . 26884 1 39 39 LYS . 26884 1 40 40 PHE . 26884 1 41 41 ALA . 26884 1 42 42 GLU . 26884 1 43 43 ALA . 26884 1 44 44 VAL . 26884 1 45 45 GLN . 26884 1 46 46 GLY . 26884 1 47 47 GLN . 26884 1 48 48 PRO . 26884 1 49 49 SER . 26884 1 50 50 GLU . 26884 1 51 51 TYR . 26884 1 52 52 GLY . 26884 1 53 53 LEU . 26884 1 54 54 PHE . 26884 1 55 55 ILE . 26884 1 56 56 SER . 26884 1 57 57 ASP . 26884 1 58 58 GLU . 26884 1 59 59 GLN . 26884 1 60 60 ASN . 26884 1 61 61 GLN . 26884 1 62 62 GLN . 26884 1 63 63 GLY . 26884 1 64 64 VAL . 26884 1 65 65 TRP . 26884 1 66 66 LEU . 26884 1 67 67 GLU . 26884 1 68 68 PRO . 26884 1 69 69 GLY . 26884 1 70 70 ARG . 26884 1 71 71 THR . 26884 1 72 72 LEU . 26884 1 73 73 GLY . 26884 1 74 74 TYR . 26884 1 75 75 TYR . 26884 1 76 76 ILE . 26884 1 77 77 LEU . 26884 1 78 78 HIS . 26884 1 79 79 ASN . 26884 1 80 80 GLN . 26884 1 81 81 ASP . 26884 1 82 82 THR . 26884 1 83 83 LEU . 26884 1 84 84 GLU . 26884 1 85 85 TYR . 26884 1 86 86 ARG . 26884 1 87 87 ARG . 26884 1 88 88 LYS . 26884 1 89 89 THR . 26884 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 . SER 1 1 26884 1 . MET 2 2 26884 1 . MET 3 3 26884 1 . SER 4 4 26884 1 . THR 5 5 26884 1 . LEU 6 6 26884 1 . SER 7 7 26884 1 . LEU 8 8 26884 1 . ARG 9 9 26884 1 . ILE 10 10 26884 1 . GLN 11 11 26884 1 . LEU 12 12 26884 1 . GLU 13 13 26884 1 . GLY 14 14 26884 1 . GLY 15 15 26884 1 . ARG 16 16 26884 1 . VAL 17 17 26884 1 . THR 18 18 26884 1 . LYS 19 19 26884 1 . THR 20 20 26884 1 . ILE 21 21 26884 1 . GLN 22 22 26884 1 . PHE 23 23 26884 1 . GLN 24 24 26884 1 . PRO 25 25 26884 1 . ASN 26 26 26884 1 . THR 27 27 26884 1 . THR 28 28 26884 1 . VAL 29 29 26884 1 . PHE 30 30 26884 1 . ASP 31 31 26884 1 . ALA 32 32 26884 1 . CYS 33 33 26884 1 . LYS 34 34 26884 1 . VAL 35 35 26884 1 . ILE 36 36 26884 1 . ARG 37 37 26884 1 . ASP 38 38 26884 1 . LYS 39 39 26884 1 . PHE 40 40 26884 1 . ALA 41 41 26884 1 . GLU 42 42 26884 1 . ALA 43 43 26884 1 . VAL 44 44 26884 1 . GLN 45 45 26884 1 . GLY 46 46 26884 1 . GLN 47 47 26884 1 . PRO 48 48 26884 1 . SER 49 49 26884 1 . GLU 50 50 26884 1 . TYR 51 51 26884 1 . GLY 52 52 26884 1 . LEU 53 53 26884 1 . PHE 54 54 26884 1 . ILE 55 55 26884 1 . SER 56 56 26884 1 . ASP 57 57 26884 1 . GLU 58 58 26884 1 . GLN 59 59 26884 1 . ASN 60 60 26884 1 . GLN 61 61 26884 1 . GLN 62 62 26884 1 . GLY 63 63 26884 1 . VAL 64 64 26884 1 . TRP 65 65 26884 1 . LEU 66 66 26884 1 . GLU 67 67 26884 1 . PRO 68 68 26884 1 . GLY 69 69 26884 1 . ARG 70 70 26884 1 . THR 71 71 26884 1 . LEU 72 72 26884 1 . GLY 73 73 26884 1 . TYR 74 74 26884 1 . TYR 75 75 26884 1 . ILE 76 76 26884 1 . LEU 77 77 26884 1 . HIS 78 78 26884 1 . ASN 79 79 26884 1 . GLN 80 80 26884 1 . ASP 81 81 26884 1 . THR 82 82 26884 1 . LEU 83 83 26884 1 . GLU 84 84 26884 1 . TYR 85 85 26884 1 . ARG 86 86 26884 1 . ARG 87 87 26884 1 . LYS 88 88 26884 1 . THR 89 89 26884 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 26884 _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 $Rhea . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 26884 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 26884 _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 $Rhea . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pLEICS-01 . . . 26884 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_labelled _Sample.Sf_category sample _Sample.Sf_framecode 15N_labelled _Sample.Entry_ID 26884 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rhea '[U-100% 15N]' . . 1 $Rhea . . 100 . . uM 1 . . . 26884 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % 0.1 . . . 26884 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 26884 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 26884 1 5 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 26884 1 stop_ save_ save_double_labelled _Sample.Sf_category sample _Sample.Sf_framecode double_labelled _Sample.Entry_ID 26884 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rhea '[U-100% 13C; U-100% 15N]' . . 1 $Rhea . . 500 . . uM 1 . . . 26884 2 2 D2O '[U-100% 2H]' . . . . . . 5 . . % 0.1 . . . 26884 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 26884 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 26884 2 5 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 26884 2 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 26884 _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 'ionic strength' 50 0.1 mM 26884 1 pH 6.5 0.1 pH 26884 1 pressure 1 . atm 26884 1 temperature 298 0.1 K 26884 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26884 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26884 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26884 1 processing 26884 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 26884 _Software.ID 2 _Software.Type . _Software.Name CCPNMR_Analysis _Software.Version 2.15 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26884 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26884 2 'data analysis' 26884 2 'peak picking' 26884 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26884 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26884 _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 spectrometer_1 Bruker Avance . 600 'with CryoProbe' . . 26884 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 26884 _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 $15N_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26884 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26884 1 3 '3D HNCO' no . . . . . . . . . . 2 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26884 1 4 '3D HNCA' no . . . . . . . . . . 2 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26884 1 5 '3D HNCACB' no . . . . . . . . . . 2 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26884 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $double_labelled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26884 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 26884 _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 . . . . . 26884 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26884 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26884 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26884 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 26884 1 5 '3D HNCACB' . . . 26884 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 3 3 MET C C 13 175.348 0.2 . 1 . . . . . 3 MET C . 26884 1 2 . 1 1 4 4 SER H H 1 8.422 0.02 . 1 . . . . . 4 SER H . 26884 1 3 . 1 1 4 4 SER C C 13 177.573 0.2 . 1 . . . . . 4 SER C . 26884 1 4 . 1 1 4 4 SER CA C 13 55.724 0.2 . 1 . . . . . 4 SER CA . 26884 1 5 . 1 1 4 4 SER CB C 13 61.173 0.2 . 1 . . . . . 4 SER CB . 26884 1 6 . 1 1 4 4 SER N N 15 117.841 0.2 . 1 . . . . . 4 SER N . 26884 1 7 . 1 1 5 5 THR H H 1 7.850 0.02 . 1 . . . . . 5 THR H . 26884 1 8 . 1 1 5 5 THR C C 13 177.937 0.2 . 1 . . . . . 5 THR C . 26884 1 9 . 1 1 5 5 THR CA C 13 59.345 0.2 . 1 . . . . . 5 THR CA . 26884 1 10 . 1 1 5 5 THR CB C 13 68.194 0.2 . 1 . . . . . 5 THR CB . 26884 1 11 . 1 1 5 5 THR N N 15 113.922 0.2 . 1 . . . . . 5 THR N . 26884 1 12 . 1 1 6 6 LEU H H 1 8.849 0.02 . 1 . . . . . 6 LEU H . 26884 1 13 . 1 1 6 6 LEU C C 13 175.837 0.2 . 1 . . . . . 6 LEU C . 26884 1 14 . 1 1 6 6 LEU CA C 13 50.832 0.2 . 1 . . . . . 6 LEU CA . 26884 1 15 . 1 1 6 6 LEU CB C 13 42.046 0.2 . 1 . . . . . 6 LEU CB . 26884 1 16 . 1 1 6 6 LEU N N 15 125.162 0.2 . 1 . . . . . 6 LEU N . 26884 1 17 . 1 1 7 7 SER H H 1 8.774 0.02 . 1 . . . . . 7 SER H . 26884 1 18 . 1 1 7 7 SER C C 13 177.976 0.2 . 1 . . . . . 7 SER C . 26884 1 19 . 1 1 7 7 SER CA C 13 54.799 0.2 . 1 . . . . . 7 SER CA . 26884 1 20 . 1 1 7 7 SER CB C 13 60.416 0.2 . 1 . . . . . 7 SER CB . 26884 1 21 . 1 1 7 7 SER N N 15 120.996 0.2 . 1 . . . . . 7 SER N . 26884 1 22 . 1 1 8 8 LEU H H 1 8.719 0.02 . 1 . . . . . 8 LEU H . 26884 1 23 . 1 1 8 8 LEU C C 13 176.294 0.2 . 1 . . . . . 8 LEU C . 26884 1 24 . 1 1 8 8 LEU CA C 13 50.214 0.2 . 1 . . . . . 8 LEU CA . 26884 1 25 . 1 1 8 8 LEU CB C 13 42.407 0.2 . 1 . . . . . 8 LEU CB . 26884 1 26 . 1 1 8 8 LEU N N 15 125.209 0.2 . 1 . . . . . 8 LEU N . 26884 1 27 . 1 1 9 9 ARG H H 1 8.722 0.02 . 1 . . . . . 9 ARG H . 26884 1 28 . 1 1 9 9 ARG C C 13 177.319 0.2 . 1 . . . . . 9 ARG C . 26884 1 29 . 1 1 9 9 ARG CA C 13 53.007 0.2 . 1 . . . . . 9 ARG CA . 26884 1 30 . 1 1 9 9 ARG CB C 13 27.872 0.2 . 1 . . . . . 9 ARG CB . 26884 1 31 . 1 1 9 9 ARG N N 15 122.530 0.2 . 1 . . . . . 9 ARG N . 26884 1 32 . 1 1 10 10 ILE H H 1 9.158 0.02 . 1 . . . . . 10 ILE H . 26884 1 33 . 1 1 10 10 ILE C C 13 176.215 0.2 . 1 . . . . . 10 ILE C . 26884 1 34 . 1 1 10 10 ILE CA C 13 54.724 0.2 . 1 . . . . . 10 ILE CA . 26884 1 35 . 1 1 10 10 ILE CB C 13 33.676 0.2 . 1 . . . . . 10 ILE CB . 26884 1 36 . 1 1 10 10 ILE N N 15 124.860 0.2 . 1 . . . . . 10 ILE N . 26884 1 37 . 1 1 11 11 GLN H H 1 9.036 0.02 . 1 . . . . . 11 GLN H . 26884 1 38 . 1 1 11 11 GLN C C 13 176.123 0.2 . 1 . . . . . 11 GLN C . 26884 1 39 . 1 1 11 11 GLN CA C 13 50.858 0.2 . 1 . . . . . 11 GLN CA . 26884 1 40 . 1 1 11 11 GLN CB C 13 29.796 0.2 . 1 . . . . . 11 GLN CB . 26884 1 41 . 1 1 11 11 GLN N N 15 125.134 0.2 . 1 . . . . . 11 GLN N . 26884 1 42 . 1 1 12 12 LEU H H 1 8.386 0.02 . 1 . . . . . 12 LEU H . 26884 1 43 . 1 1 12 12 LEU C C 13 174.139 0.2 . 1 . . . . . 12 LEU C . 26884 1 44 . 1 1 12 12 LEU CA C 13 51.187 0.2 . 1 . . . . . 12 LEU CA . 26884 1 45 . 1 1 12 12 LEU CB C 13 40.329 0.2 . 1 . . . . . 12 LEU CB . 26884 1 46 . 1 1 12 12 LEU N N 15 123.765 0.2 . 1 . . . . . 12 LEU N . 26884 1 47 . 1 1 13 13 GLU H H 1 8.831 0.02 . 1 . . . . . 13 GLU H . 26884 1 48 . 1 1 13 13 GLU C C 13 174.128 0.2 . 1 . . . . . 13 GLU C . 26884 1 49 . 1 1 13 13 GLU CA C 13 55.093 0.2 . 1 . . . . . 13 GLU CA . 26884 1 50 . 1 1 13 13 GLU CB C 13 26.954 0.2 . 1 . . . . . 13 GLU CB . 26884 1 51 . 1 1 13 13 GLU N N 15 123.435 0.2 . 1 . . . . . 13 GLU N . 26884 1 52 . 1 1 14 14 GLY H H 1 8.976 0.02 . 1 . . . . . 14 GLY H . 26884 1 53 . 1 1 14 14 GLY C C 13 175.809 0.2 . 1 . . . . . 14 GLY C . 26884 1 54 . 1 1 14 14 GLY CA C 13 42.866 0.2 . 1 . . . . . 14 GLY CA . 26884 1 55 . 1 1 14 14 GLY N N 15 112.794 0.2 . 1 . . . . . 14 GLY N . 26884 1 56 . 1 1 15 15 GLY H H 1 8.149 0.02 . 1 . . . . . 15 GLY H . 26884 1 57 . 1 1 15 15 GLY C C 13 176.931 0.2 . 1 . . . . . 15 GLY C . 26884 1 58 . 1 1 15 15 GLY CA C 13 42.895 0.2 . 1 . . . . . 15 GLY CA . 26884 1 59 . 1 1 15 15 GLY N N 15 106.222 0.2 . 1 . . . . . 15 GLY N . 26884 1 60 . 1 1 16 16 ARG H H 1 8.029 0.02 . 1 . . . . . 16 ARG H . 26884 1 61 . 1 1 16 16 ARG C C 13 174.968 0.2 . 1 . . . . . 16 ARG C . 26884 1 62 . 1 1 16 16 ARG CA C 13 55.390 0.2 . 1 . . . . . 16 ARG CA . 26884 1 63 . 1 1 16 16 ARG CB C 13 28.098 0.2 . 1 . . . . . 16 ARG CB . 26884 1 64 . 1 1 16 16 ARG N N 15 119.733 0.2 . 1 . . . . . 16 ARG N . 26884 1 65 . 1 1 17 17 VAL H H 1 7.369 0.02 . 1 . . . . . 17 VAL H . 26884 1 66 . 1 1 17 17 VAL C C 13 176.934 0.2 . 1 . . . . . 17 VAL C . 26884 1 67 . 1 1 17 17 VAL CA C 13 59.051 0.2 . 1 . . . . . 17 VAL CA . 26884 1 68 . 1 1 17 17 VAL CB C 13 31.560 0.2 . 1 . . . . . 17 VAL CB . 26884 1 69 . 1 1 17 17 VAL N N 15 116.668 0.2 . 1 . . . . . 17 VAL N . 26884 1 70 . 1 1 18 18 THR H H 1 8.379 0.02 . 1 . . . . . 18 THR H . 26884 1 71 . 1 1 18 18 THR C C 13 177.436 0.2 . 1 . . . . . 18 THR C . 26884 1 72 . 1 1 18 18 THR CA C 13 58.636 0.2 . 1 . . . . . 18 THR CA . 26884 1 73 . 1 1 18 18 THR CB C 13 68.744 0.2 . 1 . . . . . 18 THR CB . 26884 1 74 . 1 1 18 18 THR N N 15 121.357 0.2 . 1 . . . . . 18 THR N . 26884 1 75 . 1 1 19 19 LYS H H 1 8.983 0.02 . 1 . . . . . 19 LYS H . 26884 1 76 . 1 1 19 19 LYS C C 13 176.495 0.2 . 1 . . . . . 19 LYS C . 26884 1 77 . 1 1 19 19 LYS CA C 13 52.405 0.2 . 1 . . . . . 19 LYS CA . 26884 1 78 . 1 1 19 19 LYS CB C 13 33.936 0.2 . 1 . . . . . 19 LYS CB . 26884 1 79 . 1 1 19 19 LYS N N 15 124.419 0.2 . 1 . . . . . 19 LYS N . 26884 1 80 . 1 1 20 20 THR H H 1 8.576 0.02 . 1 . . . . . 20 THR H . 26884 1 81 . 1 1 20 20 THR C C 13 177.032 0.2 . 1 . . . . . 20 THR C . 26884 1 82 . 1 1 20 20 THR CA C 13 59.645 0.2 . 1 . . . . . 20 THR CA . 26884 1 83 . 1 1 20 20 THR CB C 13 66.030 0.2 . 1 . . . . . 20 THR CB . 26884 1 84 . 1 1 20 20 THR N N 15 120.227 0.2 . 1 . . . . . 20 THR N . 26884 1 85 . 1 1 21 21 ILE H H 1 9.043 0.02 . 1 . . . . . 21 ILE H . 26884 1 86 . 1 1 21 21 ILE C C 13 178.439 0.2 . 1 . . . . . 21 ILE C . 26884 1 87 . 1 1 21 21 ILE CA C 13 57.339 0.2 . 1 . . . . . 21 ILE CA . 26884 1 88 . 1 1 21 21 ILE CB C 13 38.735 0.2 . 1 . . . . . 21 ILE CB . 26884 1 89 . 1 1 21 21 ILE N N 15 129.311 0.2 . 1 . . . . . 21 ILE N . 26884 1 90 . 1 1 22 22 GLN H H 1 7.785 0.02 . 1 . . . . . 22 GLN H . 26884 1 91 . 1 1 22 22 GLN C C 13 176.266 0.2 . 1 . . . . . 22 GLN C . 26884 1 92 . 1 1 22 22 GLN CA C 13 52.225 0.2 . 1 . . . . . 22 GLN CA . 26884 1 93 . 1 1 22 22 GLN CB C 13 27.171 0.2 . 1 . . . . . 22 GLN CB . 26884 1 94 . 1 1 22 22 GLN N N 15 123.955 0.2 . 1 . . . . . 22 GLN N . 26884 1 95 . 1 1 23 23 PHE H H 1 9.017 0.02 . 1 . . . . . 23 PHE H . 26884 1 96 . 1 1 23 23 PHE C C 13 175.727 0.2 . 1 . . . . . 23 PHE C . 26884 1 97 . 1 1 23 23 PHE CA C 13 53.691 0.2 . 1 . . . . . 23 PHE CA . 26884 1 98 . 1 1 23 23 PHE CB C 13 41.692 0.2 . 1 . . . . . 23 PHE CB . 26884 1 99 . 1 1 23 23 PHE N N 15 120.303 0.2 . 1 . . . . . 23 PHE N . 26884 1 100 . 1 1 24 24 GLN H H 1 8.872 0.02 . 1 . . . . . 24 GLN H . 26884 1 101 . 1 1 24 24 GLN CA C 13 51.313 0.2 . 1 . . . . . 24 GLN CA . 26884 1 102 . 1 1 24 24 GLN CB C 13 25.675 0.2 . 1 . . . . . 24 GLN CB . 26884 1 103 . 1 1 24 24 GLN N N 15 120.416 0.2 . 1 . . . . . 24 GLN N . 26884 1 104 . 1 1 25 25 PRO C C 13 175.616 0.2 . 1 . . . . . 25 PRO C . 26884 1 105 . 1 1 25 25 PRO CA C 13 62.399 0.2 . 1 . . . . . 25 PRO CA . 26884 1 106 . 1 1 25 25 PRO CB C 13 28.820 0.2 . 1 . . . . . 25 PRO CB . 26884 1 107 . 1 1 26 26 ASN H H 1 7.921 0.02 . 1 . . . . . 26 ASN H . 26884 1 108 . 1 1 26 26 ASN C C 13 176.976 0.2 . 1 . . . . . 26 ASN C . 26884 1 109 . 1 1 26 26 ASN CA C 13 50.037 0.2 . 1 . . . . . 26 ASN CA . 26884 1 110 . 1 1 26 26 ASN CB C 13 34.264 0.2 . 1 . . . . . 26 ASN CB . 26884 1 111 . 1 1 26 26 ASN N N 15 111.909 0.2 . 1 . . . . . 26 ASN N . 26884 1 112 . 1 1 27 27 THR H H 1 7.637 0.02 . 1 . . . . . 27 THR H . 26884 1 113 . 1 1 27 27 THR C C 13 176.822 0.2 . 1 . . . . . 27 THR C . 26884 1 114 . 1 1 27 27 THR CA C 13 60.736 0.2 . 1 . . . . . 27 THR CA . 26884 1 115 . 1 1 27 27 THR CB C 13 67.483 0.2 . 1 . . . . . 27 THR CB . 26884 1 116 . 1 1 27 27 THR N N 15 119.078 0.2 . 1 . . . . . 27 THR N . 26884 1 117 . 1 1 28 28 THR H H 1 9.176 0.02 . 1 . . . . . 28 THR H . 26884 1 118 . 1 1 28 28 THR C C 13 175.767 0.2 . 1 . . . . . 28 THR C . 26884 1 119 . 1 1 28 28 THR CA C 13 58.767 0.2 . 1 . . . . . 28 THR CA . 26884 1 120 . 1 1 28 28 THR CB C 13 68.121 0.2 . 1 . . . . . 28 THR CB . 26884 1 121 . 1 1 28 28 THR N N 15 117.945 0.2 . 1 . . . . . 28 THR N . 26884 1 122 . 1 1 29 29 VAL H H 1 9.091 0.02 . 1 . . . . . 29 VAL H . 26884 1 123 . 1 1 29 29 VAL C C 13 172.720 0.2 . 1 . . . . . 29 VAL C . 26884 1 124 . 1 1 29 29 VAL CA C 13 64.234 0.2 . 1 . . . . . 29 VAL CA . 26884 1 125 . 1 1 29 29 VAL CB C 13 28.441 0.2 . 1 . . . . . 29 VAL CB . 26884 1 126 . 1 1 29 29 VAL N N 15 124.880 0.2 . 1 . . . . . 29 VAL N . 26884 1 127 . 1 1 30 30 PHE H H 1 9.115 0.02 . 1 . . . . . 30 PHE H . 26884 1 128 . 1 1 30 30 PHE C C 13 173.281 0.2 . 1 . . . . . 30 PHE C . 26884 1 129 . 1 1 30 30 PHE CA C 13 59.452 0.2 . 1 . . . . . 30 PHE CA . 26884 1 130 . 1 1 30 30 PHE CB C 13 37.127 0.2 . 1 . . . . . 30 PHE CB . 26884 1 131 . 1 1 30 30 PHE N N 15 120.613 0.2 . 1 . . . . . 30 PHE N . 26884 1 132 . 1 1 31 31 ASP H H 1 8.011 0.02 . 1 . . . . . 31 ASP H . 26884 1 133 . 1 1 31 31 ASP C C 13 171.611 0.2 . 1 . . . . . 31 ASP C . 26884 1 134 . 1 1 31 31 ASP CA C 13 54.783 0.2 . 1 . . . . . 31 ASP CA . 26884 1 135 . 1 1 31 31 ASP CB C 13 36.929 0.2 . 1 . . . . . 31 ASP CB . 26884 1 136 . 1 1 31 31 ASP N N 15 121.258 0.2 . 1 . . . . . 31 ASP N . 26884 1 137 . 1 1 32 32 ALA H H 1 9.110 0.02 . 1 . . . . . 32 ALA H . 26884 1 138 . 1 1 32 32 ALA C C 13 171.388 0.2 . 1 . . . . . 32 ALA C . 26884 1 139 . 1 1 32 32 ALA CA C 13 52.359 0.2 . 1 . . . . . 32 ALA CA . 26884 1 140 . 1 1 32 32 ALA CB C 13 14.722 0.2 . 1 . . . . . 32 ALA CB . 26884 1 141 . 1 1 32 32 ALA N N 15 125.025 0.2 . 1 . . . . . 32 ALA N . 26884 1 142 . 1 1 33 33 CYS H H 1 8.329 0.02 . 1 . . . . . 33 CYS H . 26884 1 143 . 1 1 33 33 CYS C C 13 175.489 0.2 . 1 . . . . . 33 CYS C . 26884 1 144 . 1 1 33 33 CYS CA C 13 62.168 0.2 . 1 . . . . . 33 CYS CA . 26884 1 145 . 1 1 33 33 CYS CB C 13 24.049 0.2 . 1 . . . . . 33 CYS CB . 26884 1 146 . 1 1 33 33 CYS N N 15 114.545 0.2 . 1 . . . . . 33 CYS N . 26884 1 147 . 1 1 34 34 LYS H H 1 7.176 0.02 . 1 . . . . . 34 LYS H . 26884 1 148 . 1 1 34 34 LYS C C 13 172.734 0.2 . 1 . . . . . 34 LYS C . 26884 1 149 . 1 1 34 34 LYS CA C 13 57.367 0.2 . 1 . . . . . 34 LYS CA . 26884 1 150 . 1 1 34 34 LYS CB C 13 29.190 0.2 . 1 . . . . . 34 LYS CB . 26884 1 151 . 1 1 34 34 LYS N N 15 120.404 0.2 . 1 . . . . . 34 LYS N . 26884 1 152 . 1 1 35 35 VAL H H 1 7.370 0.02 . 1 . . . . . 35 VAL H . 26884 1 153 . 1 1 35 35 VAL C C 13 172.693 0.2 . 1 . . . . . 35 VAL C . 26884 1 154 . 1 1 35 35 VAL CA C 13 63.317 0.2 . 1 . . . . . 35 VAL CA . 26884 1 155 . 1 1 35 35 VAL CB C 13 29.301 0.2 . 1 . . . . . 35 VAL CB . 26884 1 156 . 1 1 35 35 VAL N N 15 119.970 0.2 . 1 . . . . . 35 VAL N . 26884 1 157 . 1 1 36 36 ILE H H 1 8.254 0.02 . 1 . . . . . 36 ILE H . 26884 1 158 . 1 1 36 36 ILE C C 13 174.431 0.2 . 1 . . . . . 36 ILE C . 26884 1 159 . 1 1 36 36 ILE CA C 13 63.328 0.2 . 1 . . . . . 36 ILE CA . 26884 1 160 . 1 1 36 36 ILE CB C 13 35.682 0.2 . 1 . . . . . 36 ILE CB . 26884 1 161 . 1 1 36 36 ILE N N 15 119.959 0.2 . 1 . . . . . 36 ILE N . 26884 1 162 . 1 1 37 37 ARG H H 1 7.987 0.02 . 1 . . . . . 37 ARG H . 26884 1 163 . 1 1 37 37 ARG C C 13 172.463 0.2 . 1 . . . . . 37 ARG C . 26884 1 164 . 1 1 37 37 ARG CA C 13 57.493 0.2 . 1 . . . . . 37 ARG CA . 26884 1 165 . 1 1 37 37 ARG CB C 13 26.552 0.2 . 1 . . . . . 37 ARG CB . 26884 1 166 . 1 1 37 37 ARG N N 15 118.669 0.2 . 1 . . . . . 37 ARG N . 26884 1 167 . 1 1 38 38 ASP H H 1 7.563 0.02 . 1 . . . . . 38 ASP H . 26884 1 168 . 1 1 38 38 ASP C C 13 172.400 0.2 . 1 . . . . . 38 ASP C . 26884 1 169 . 1 1 38 38 ASP CA C 13 54.281 0.2 . 1 . . . . . 38 ASP CA . 26884 1 170 . 1 1 38 38 ASP CB C 13 37.908 0.2 . 1 . . . . . 38 ASP CB . 26884 1 171 . 1 1 38 38 ASP N N 15 118.089 0.2 . 1 . . . . . 38 ASP N . 26884 1 172 . 1 1 39 39 LYS H H 1 8.078 0.02 . 1 . . . . . 39 LYS H . 26884 1 173 . 1 1 39 39 LYS C C 13 173.146 0.2 . 1 . . . . . 39 LYS C . 26884 1 174 . 1 1 39 39 LYS CA C 13 54.648 0.2 . 1 . . . . . 39 LYS CA . 26884 1 175 . 1 1 39 39 LYS CB C 13 29.260 0.2 . 1 . . . . . 39 LYS CB . 26884 1 176 . 1 1 39 39 LYS N N 15 118.137 0.2 . 1 . . . . . 39 LYS N . 26884 1 177 . 1 1 40 40 PHE H H 1 8.085 0.02 . 1 . . . . . 40 PHE H . 26884 1 178 . 1 1 40 40 PHE C C 13 175.021 0.2 . 1 . . . . . 40 PHE C . 26884 1 179 . 1 1 40 40 PHE CA C 13 55.514 0.2 . 1 . . . . . 40 PHE CA . 26884 1 180 . 1 1 40 40 PHE CB C 13 36.268 0.2 . 1 . . . . . 40 PHE CB . 26884 1 181 . 1 1 40 40 PHE N N 15 116.614 0.2 . 1 . . . . . 40 PHE N . 26884 1 182 . 1 1 41 41 ALA H H 1 7.624 0.02 . 1 . . . . . 41 ALA H . 26884 1 183 . 1 1 41 41 ALA C C 13 173.029 0.2 . 1 . . . . . 41 ALA C . 26884 1 184 . 1 1 41 41 ALA CA C 13 52.370 0.2 . 1 . . . . . 41 ALA CA . 26884 1 185 . 1 1 41 41 ALA CB C 13 15.835 0.2 . 1 . . . . . 41 ALA CB . 26884 1 186 . 1 1 41 41 ALA N N 15 123.853 0.2 . 1 . . . . . 41 ALA N . 26884 1 187 . 1 1 42 42 GLU H H 1 9.045 0.02 . 1 . . . . . 42 GLU H . 26884 1 188 . 1 1 42 42 GLU C C 13 174.929 0.2 . 1 . . . . . 42 GLU C . 26884 1 189 . 1 1 42 42 GLU CA C 13 55.506 0.2 . 1 . . . . . 42 GLU CA . 26884 1 190 . 1 1 42 42 GLU CB C 13 25.850 0.2 . 1 . . . . . 42 GLU CB . 26884 1 191 . 1 1 42 42 GLU N N 15 118.298 0.2 . 1 . . . . . 42 GLU N . 26884 1 192 . 1 1 43 43 ALA H H 1 8.045 0.02 . 1 . . . . . 43 ALA H . 26884 1 193 . 1 1 43 43 ALA C C 13 173.902 0.2 . 1 . . . . . 43 ALA C . 26884 1 194 . 1 1 43 43 ALA CA C 13 50.097 0.2 . 1 . . . . . 43 ALA CA . 26884 1 195 . 1 1 43 43 ALA CB C 13 17.589 0.2 . 1 . . . . . 43 ALA CB . 26884 1 196 . 1 1 43 43 ALA N N 15 121.378 0.2 . 1 . . . . . 43 ALA N . 26884 1 197 . 1 1 44 44 VAL H H 1 7.425 0.02 . 1 . . . . . 44 VAL H . 26884 1 198 . 1 1 44 44 VAL C C 13 176.634 0.2 . 1 . . . . . 44 VAL C . 26884 1 199 . 1 1 44 44 VAL CA C 13 58.901 0.2 . 1 . . . . . 44 VAL CA . 26884 1 200 . 1 1 44 44 VAL CB C 13 30.040 0.2 . 1 . . . . . 44 VAL CB . 26884 1 201 . 1 1 44 44 VAL N N 15 114.913 0.2 . 1 . . . . . 44 VAL N . 26884 1 202 . 1 1 45 45 GLN H H 1 8.146 0.02 . 1 . . . . . 45 GLN H . 26884 1 203 . 1 1 45 45 GLN C C 13 175.172 0.2 . 1 . . . . . 45 GLN C . 26884 1 204 . 1 1 45 45 GLN CA C 13 52.323 0.2 . 1 . . . . . 45 GLN CA . 26884 1 205 . 1 1 45 45 GLN CB C 13 27.851 0.2 . 1 . . . . . 45 GLN CB . 26884 1 206 . 1 1 45 45 GLN N N 15 122.981 0.2 . 1 . . . . . 45 GLN N . 26884 1 207 . 1 1 46 46 GLY H H 1 8.310 0.02 . 1 . . . . . 46 GLY H . 26884 1 208 . 1 1 46 46 GLY C C 13 177.699 0.2 . 1 . . . . . 46 GLY C . 26884 1 209 . 1 1 46 46 GLY CA C 13 42.182 0.2 . 1 . . . . . 46 GLY CA . 26884 1 210 . 1 1 46 46 GLY N N 15 108.982 0.2 . 1 . . . . . 46 GLY N . 26884 1 211 . 1 1 47 47 GLN H H 1 8.684 0.02 . 1 . . . . . 47 GLN H . 26884 1 212 . 1 1 47 47 GLN CA C 13 51.009 0.2 . 1 . . . . . 47 GLN CA . 26884 1 213 . 1 1 47 47 GLN CB C 13 26.006 0.2 . 1 . . . . . 47 GLN CB . 26884 1 214 . 1 1 47 47 GLN N N 15 120.397 0.2 . 1 . . . . . 47 GLN N . 26884 1 215 . 1 1 48 48 PRO C C 13 172.957 0.2 . 1 . . . . . 48 PRO C . 26884 1 216 . 1 1 48 48 PRO CA C 13 63.013 0.2 . 1 . . . . . 48 PRO CA . 26884 1 217 . 1 1 48 48 PRO CB C 13 28.996 0.2 . 1 . . . . . 48 PRO CB . 26884 1 218 . 1 1 49 49 SER H H 1 7.994 0.02 . 1 . . . . . 49 SER H . 26884 1 219 . 1 1 49 49 SER C C 13 176.148 0.2 . 1 . . . . . 49 SER C . 26884 1 220 . 1 1 49 49 SER CA C 13 57.240 0.2 . 1 . . . . . 49 SER CA . 26884 1 221 . 1 1 49 49 SER CB C 13 59.940 0.2 . 1 . . . . . 49 SER CB . 26884 1 222 . 1 1 49 49 SER N N 15 109.925 0.2 . 1 . . . . . 49 SER N . 26884 1 223 . 1 1 50 50 GLU H H 1 7.982 0.02 . 1 . . . . . 50 GLU H . 26884 1 224 . 1 1 50 50 GLU C C 13 176.342 0.2 . 1 . . . . . 50 GLU C . 26884 1 225 . 1 1 50 50 GLU CA C 13 53.958 0.2 . 1 . . . . . 50 GLU CA . 26884 1 226 . 1 1 50 50 GLU CB C 13 27.457 0.2 . 1 . . . . . 50 GLU CB . 26884 1 227 . 1 1 50 50 GLU N N 15 119.818 0.2 . 1 . . . . . 50 GLU N . 26884 1 228 . 1 1 51 51 TYR H H 1 7.556 0.02 . 1 . . . . . 51 TYR H . 26884 1 229 . 1 1 51 51 TYR C C 13 175.673 0.2 . 1 . . . . . 51 TYR C . 26884 1 230 . 1 1 51 51 TYR CA C 13 54.516 0.2 . 1 . . . . . 51 TYR CA . 26884 1 231 . 1 1 51 51 TYR CB C 13 39.812 0.2 . 1 . . . . . 51 TYR CB . 26884 1 232 . 1 1 51 51 TYR N N 15 118.605 0.2 . 1 . . . . . 51 TYR N . 26884 1 233 . 1 1 52 52 GLY H H 1 8.741 0.02 . 1 . . . . . 52 GLY H . 26884 1 234 . 1 1 52 52 GLY C C 13 180.782 0.2 . 1 . . . . . 52 GLY C . 26884 1 235 . 1 1 52 52 GLY CA C 13 42.049 0.2 . 1 . . . . . 52 GLY CA . 26884 1 236 . 1 1 52 52 GLY N N 15 106.737 0.2 . 1 . . . . . 52 GLY N . 26884 1 237 . 1 1 53 53 LEU H H 1 8.971 0.02 . 1 . . . . . 53 LEU H . 26884 1 238 . 1 1 53 53 LEU C C 13 176.585 0.2 . 1 . . . . . 53 LEU C . 26884 1 239 . 1 1 53 53 LEU CA C 13 50.697 0.2 . 1 . . . . . 53 LEU CA . 26884 1 240 . 1 1 53 53 LEU CB C 13 42.844 0.2 . 1 . . . . . 53 LEU CB . 26884 1 241 . 1 1 53 53 LEU N N 15 119.740 0.2 . 1 . . . . . 53 LEU N . 26884 1 242 . 1 1 54 54 PHE H H 1 9.037 0.02 . 1 . . . . . 54 PHE H . 26884 1 243 . 1 1 54 54 PHE C C 13 177.173 0.2 . 1 . . . . . 54 PHE C . 26884 1 244 . 1 1 54 54 PHE CA C 13 53.102 0.2 . 1 . . . . . 54 PHE CA . 26884 1 245 . 1 1 54 54 PHE CB C 13 41.357 0.2 . 1 . . . . . 54 PHE CB . 26884 1 246 . 1 1 54 54 PHE N N 15 124.736 0.2 . 1 . . . . . 54 PHE N . 26884 1 247 . 1 1 55 55 ILE H H 1 8.161 0.02 . 1 . . . . . 55 ILE H . 26884 1 248 . 1 1 55 55 ILE C C 13 177.437 0.2 . 1 . . . . . 55 ILE C . 26884 1 249 . 1 1 55 55 ILE CA C 13 57.223 0.2 . 1 . . . . . 55 ILE CA . 26884 1 250 . 1 1 55 55 ILE CB C 13 38.077 0.2 . 1 . . . . . 55 ILE CB . 26884 1 251 . 1 1 55 55 ILE N N 15 124.939 0.2 . 1 . . . . . 55 ILE N . 26884 1 252 . 1 1 56 56 SER H H 1 8.196 0.02 . 1 . . . . . 56 SER H . 26884 1 253 . 1 1 56 56 SER C C 13 177.813 0.2 . 1 . . . . . 56 SER C . 26884 1 254 . 1 1 56 56 SER CA C 13 54.838 0.2 . 1 . . . . . 56 SER CA . 26884 1 255 . 1 1 56 56 SER CB C 13 61.730 0.2 . 1 . . . . . 56 SER CB . 26884 1 256 . 1 1 56 56 SER N N 15 120.658 0.2 . 1 . . . . . 56 SER N . 26884 1 257 . 1 1 57 57 ASP H H 1 8.173 0.02 . 1 . . . . . 57 ASP H . 26884 1 258 . 1 1 57 57 ASP C C 13 174.731 0.2 . 1 . . . . . 57 ASP C . 26884 1 259 . 1 1 57 57 ASP CA C 13 50.661 0.2 . 1 . . . . . 57 ASP CA . 26884 1 260 . 1 1 57 57 ASP CB C 13 39.305 0.2 . 1 . . . . . 57 ASP CB . 26884 1 261 . 1 1 57 57 ASP N N 15 123.088 0.2 . 1 . . . . . 57 ASP N . 26884 1 262 . 1 1 58 58 GLU H H 1 8.595 0.02 . 1 . . . . . 58 GLU H . 26884 1 263 . 1 1 58 58 GLU C C 13 173.792 0.2 . 1 . . . . . 58 GLU C . 26884 1 264 . 1 1 58 58 GLU CA C 13 55.870 0.2 . 1 . . . . . 58 GLU CA . 26884 1 265 . 1 1 58 58 GLU CB C 13 26.982 0.2 . 1 . . . . . 58 GLU CB . 26884 1 266 . 1 1 58 58 GLU N N 15 120.922 0.2 . 1 . . . . . 58 GLU N . 26884 1 267 . 1 1 59 59 GLN H H 1 8.237 0.02 . 1 . . . . . 59 GLN H . 26884 1 268 . 1 1 59 59 GLN C C 13 175.213 0.2 . 1 . . . . . 59 GLN C . 26884 1 269 . 1 1 59 59 GLN CA C 13 54.228 0.2 . 1 . . . . . 59 GLN CA . 26884 1 270 . 1 1 59 59 GLN CB C 13 26.172 0.2 . 1 . . . . . 59 GLN CB . 26884 1 271 . 1 1 59 59 GLN N N 15 117.095 0.2 . 1 . . . . . 59 GLN N . 26884 1 272 . 1 1 60 60 ASN H H 1 8.043 0.02 . 1 . . . . . 60 ASN H . 26884 1 273 . 1 1 60 60 ASN C C 13 176.313 0.2 . 1 . . . . . 60 ASN C . 26884 1 274 . 1 1 60 60 ASN CA C 13 50.221 0.2 . 1 . . . . . 60 ASN CA . 26884 1 275 . 1 1 60 60 ASN CB C 13 36.026 0.2 . 1 . . . . . 60 ASN CB . 26884 1 276 . 1 1 60 60 ASN N N 15 117.304 0.2 . 1 . . . . . 60 ASN N . 26884 1 277 . 1 1 61 61 GLN H H 1 8.415 0.02 . 1 . . . . . 61 GLN H . 26884 1 278 . 1 1 61 61 GLN C C 13 175.192 0.2 . 1 . . . . . 61 GLN C . 26884 1 279 . 1 1 61 61 GLN CA C 13 54.708 0.2 . 1 . . . . . 61 GLN CA . 26884 1 280 . 1 1 61 61 GLN CB C 13 25.467 0.2 . 1 . . . . . 61 GLN CB . 26884 1 281 . 1 1 61 61 GLN N N 15 118.944 0.2 . 1 . . . . . 61 GLN N . 26884 1 282 . 1 1 62 62 GLN H H 1 8.260 0.02 . 1 . . . . . 62 GLN H . 26884 1 283 . 1 1 62 62 GLN C C 13 175.476 0.2 . 1 . . . . . 62 GLN C . 26884 1 284 . 1 1 62 62 GLN CA C 13 53.111 0.2 . 1 . . . . . 62 GLN CA . 26884 1 285 . 1 1 62 62 GLN CB C 13 26.800 0.2 . 1 . . . . . 62 GLN CB . 26884 1 286 . 1 1 62 62 GLN N N 15 118.205 0.2 . 1 . . . . . 62 GLN N . 26884 1 287 . 1 1 63 63 GLY H H 1 7.901 0.02 . 1 . . . . . 63 GLY H . 26884 1 288 . 1 1 63 63 GLY C C 13 178.867 0.2 . 1 . . . . . 63 GLY C . 26884 1 289 . 1 1 63 63 GLY CA C 13 42.793 0.2 . 1 . . . . . 63 GLY CA . 26884 1 290 . 1 1 63 63 GLY N N 15 108.744 0.2 . 1 . . . . . 63 GLY N . 26884 1 291 . 1 1 64 64 VAL H H 1 7.725 0.02 . 1 . . . . . 64 VAL H . 26884 1 292 . 1 1 64 64 VAL C C 13 177.497 0.2 . 1 . . . . . 64 VAL C . 26884 1 293 . 1 1 64 64 VAL CA C 13 58.242 0.2 . 1 . . . . . 64 VAL CA . 26884 1 294 . 1 1 64 64 VAL CB C 13 32.776 0.2 . 1 . . . . . 64 VAL CB . 26884 1 295 . 1 1 64 64 VAL N N 15 119.954 0.2 . 1 . . . . . 64 VAL N . 26884 1 296 . 1 1 65 65 TRP H H 1 8.421 0.02 . 1 . . . . . 65 TRP H . 26884 1 297 . 1 1 65 65 TRP HE1 H 1 10.094 0.02 . 1 . . . . . 65 TRP HE1 . 26884 1 298 . 1 1 65 65 TRP C C 13 174.806 0.2 . 1 . . . . . 65 TRP C . 26884 1 299 . 1 1 65 65 TRP CA C 13 53.112 0.2 . 1 . . . . . 65 TRP CA . 26884 1 300 . 1 1 65 65 TRP CB C 13 26.437 0.2 . 1 . . . . . 65 TRP CB . 26884 1 301 . 1 1 65 65 TRP N N 15 125.337 0.2 . 1 . . . . . 65 TRP N . 26884 1 302 . 1 1 65 65 TRP NE1 N 15 129.917 0.2 . 1 . . . . . 65 TRP NE1 . 26884 1 303 . 1 1 66 66 LEU H H 1 8.657 0.02 . 1 . . . . . 66 LEU H . 26884 1 304 . 1 1 66 66 LEU C C 13 174.663 0.2 . 1 . . . . . 66 LEU C . 26884 1 305 . 1 1 66 66 LEU CA C 13 53.044 0.2 . 1 . . . . . 66 LEU CA . 26884 1 306 . 1 1 66 66 LEU CB C 13 38.073 0.2 . 1 . . . . . 66 LEU CB . 26884 1 307 . 1 1 66 66 LEU N N 15 125.677 0.2 . 1 . . . . . 66 LEU N . 26884 1 308 . 1 1 67 67 GLU H H 1 8.379 0.02 . 1 . . . . . 67 GLU H . 26884 1 309 . 1 1 67 67 GLU CA C 13 51.706 0.2 . 1 . . . . . 67 GLU CA . 26884 1 310 . 1 1 67 67 GLU CB C 13 27.366 0.2 . 1 . . . . . 67 GLU CB . 26884 1 311 . 1 1 67 67 GLU N N 15 124.922 0.2 . 1 . . . . . 67 GLU N . 26884 1 312 . 1 1 68 68 PRO C C 13 174.174 0.2 . 1 . . . . . 68 PRO C . 26884 1 313 . 1 1 68 68 PRO CA C 13 62.077 0.2 . 1 . . . . . 68 PRO CA . 26884 1 314 . 1 1 68 68 PRO CB C 13 29.708 0.2 . 1 . . . . . 68 PRO CB . 26884 1 315 . 1 1 69 69 GLY H H 1 8.401 0.02 . 1 . . . . . 69 GLY H . 26884 1 316 . 1 1 69 69 GLY C C 13 175.808 0.2 . 1 . . . . . 69 GLY C . 26884 1 317 . 1 1 69 69 GLY CA C 13 42.247 0.2 . 1 . . . . . 69 GLY CA . 26884 1 318 . 1 1 69 69 GLY N N 15 101.100 0.2 . 1 . . . . . 69 GLY N . 26884 1 319 . 1 1 70 70 ARG H H 1 7.442 0.02 . 1 . . . . . 70 ARG H . 26884 1 320 . 1 1 70 70 ARG C C 13 176.132 0.2 . 1 . . . . . 70 ARG C . 26884 1 321 . 1 1 70 70 ARG CA C 13 51.104 0.2 . 1 . . . . . 70 ARG CA . 26884 1 322 . 1 1 70 70 ARG CB C 13 29.274 0.2 . 1 . . . . . 70 ARG CB . 26884 1 323 . 1 1 70 70 ARG N N 15 118.791 0.2 . 1 . . . . . 70 ARG N . 26884 1 324 . 1 1 71 71 THR H H 1 7.672 0.02 . 1 . . . . . 71 THR H . 26884 1 325 . 1 1 71 71 THR CA C 13 57.343 0.2 . 1 . . . . . 71 THR CA . 26884 1 326 . 1 1 71 71 THR CB C 13 68.020 0.2 . 1 . . . . . 71 THR CB . 26884 1 327 . 1 1 71 71 THR N N 15 107.855 0.2 . 1 . . . . . 71 THR N . 26884 1 328 . 1 1 72 72 LEU H H 1 8.235 0.02 . 1 . . . . . 72 LEU H . 26884 1 329 . 1 1 72 72 LEU C C 13 171.276 0.2 . 1 . . . . . 72 LEU C . 26884 1 330 . 1 1 72 72 LEU CA C 13 55.538 0.2 . 1 . . . . . 72 LEU CA . 26884 1 331 . 1 1 72 72 LEU CB C 13 39.032 0.2 . 1 . . . . . 72 LEU CB . 26884 1 332 . 1 1 72 72 LEU N N 15 118.312 0.2 . 1 . . . . . 72 LEU N . 26884 1 333 . 1 1 73 73 GLY H H 1 8.799 0.02 . 1 . . . . . 73 GLY H . 26884 1 334 . 1 1 73 73 GLY C C 13 175.129 0.2 . 1 . . . . . 73 GLY C . 26884 1 335 . 1 1 73 73 GLY CA C 13 43.397 0.2 . 1 . . . . . 73 GLY CA . 26884 1 336 . 1 1 73 73 GLY N N 15 103.206 0.2 . 1 . . . . . 73 GLY N . 26884 1 337 . 1 1 74 74 TYR H H 1 7.780 0.02 . 1 . . . . . 74 TYR H . 26884 1 338 . 1 1 74 74 TYR C C 13 175.265 0.2 . 1 . . . . . 74 TYR C . 26884 1 339 . 1 1 74 74 TYR CA C 13 57.949 0.2 . 1 . . . . . 74 TYR CA . 26884 1 340 . 1 1 74 74 TYR CB C 13 35.631 0.2 . 1 . . . . . 74 TYR CB . 26884 1 341 . 1 1 74 74 TYR N N 15 123.693 0.2 . 1 . . . . . 74 TYR N . 26884 1 342 . 1 1 75 75 TYR H H 1 7.248 0.02 . 1 . . . . . 75 TYR H . 26884 1 343 . 1 1 75 75 TYR C C 13 176.978 0.2 . 1 . . . . . 75 TYR C . 26884 1 344 . 1 1 75 75 TYR CA C 13 56.842 0.2 . 1 . . . . . 75 TYR CA . 26884 1 345 . 1 1 75 75 TYR CB C 13 35.867 0.2 . 1 . . . . . 75 TYR CB . 26884 1 346 . 1 1 75 75 TYR N N 15 113.705 0.2 . 1 . . . . . 75 TYR N . 26884 1 347 . 1 1 76 76 ILE H H 1 7.912 0.02 . 1 . . . . . 76 ILE H . 26884 1 348 . 1 1 76 76 ILE CA C 13 58.471 0.2 . 1 . . . . . 76 ILE CA . 26884 1 349 . 1 1 76 76 ILE CB C 13 31.812 0.2 . 1 . . . . . 76 ILE CB . 26884 1 350 . 1 1 76 76 ILE N N 15 118.127 0.2 . 1 . . . . . 76 ILE N . 26884 1 351 . 1 1 77 77 LEU C C 13 175.116 0.2 . 1 . . . . . 77 LEU C . 26884 1 352 . 1 1 77 77 LEU CA C 13 51.323 0.2 . 1 . . . . . 77 LEU CA . 26884 1 353 . 1 1 77 77 LEU CB C 13 40.800 0.2 . 1 . . . . . 77 LEU CB . 26884 1 354 . 1 1 78 78 HIS H H 1 8.781 0.02 . 1 . . . . . 78 HIS H . 26884 1 355 . 1 1 78 78 HIS C C 13 177.549 0.2 . 1 . . . . . 78 HIS C . 26884 1 356 . 1 1 78 78 HIS CA C 13 51.164 0.2 . 1 . . . . . 78 HIS CA . 26884 1 357 . 1 1 78 78 HIS CB C 13 28.362 0.2 . 1 . . . . . 78 HIS CB . 26884 1 358 . 1 1 78 78 HIS N N 15 117.960 0.2 . 1 . . . . . 78 HIS N . 26884 1 359 . 1 1 79 79 ASN H H 1 8.646 0.02 . 1 . . . . . 79 ASN H . 26884 1 360 . 1 1 79 79 ASN C C 13 174.633 0.2 . 1 . . . . . 79 ASN C . 26884 1 361 . 1 1 79 79 ASN CA C 13 52.228 0.2 . 1 . . . . . 79 ASN CA . 26884 1 362 . 1 1 79 79 ASN CB C 13 35.866 0.2 . 1 . . . . . 79 ASN CB . 26884 1 363 . 1 1 79 79 ASN N N 15 117.901 0.2 . 1 . . . . . 79 ASN N . 26884 1 364 . 1 1 80 80 GLN H H 1 9.237 0.02 . 1 . . . . . 80 GLN H . 26884 1 365 . 1 1 80 80 GLN C C 13 176.313 0.2 . 1 . . . . . 80 GLN C . 26884 1 366 . 1 1 80 80 GLN CA C 13 54.958 0.2 . 1 . . . . . 80 GLN CA . 26884 1 367 . 1 1 80 80 GLN CB C 13 23.666 0.2 . 1 . . . . . 80 GLN CB . 26884 1 368 . 1 1 80 80 GLN N N 15 114.947 0.2 . 1 . . . . . 80 GLN N . 26884 1 369 . 1 1 81 81 ASP H H 1 8.033 0.02 . 1 . . . . . 81 ASP H . 26884 1 370 . 1 1 81 81 ASP C C 13 176.467 0.2 . 1 . . . . . 81 ASP C . 26884 1 371 . 1 1 81 81 ASP CA C 13 52.984 0.2 . 1 . . . . . 81 ASP CA . 26884 1 372 . 1 1 81 81 ASP CB C 13 38.685 0.2 . 1 . . . . . 81 ASP CB . 26884 1 373 . 1 1 81 81 ASP N N 15 120.811 0.2 . 1 . . . . . 81 ASP N . 26884 1 374 . 1 1 82 82 THR H H 1 8.183 0.02 . 1 . . . . . 82 THR H . 26884 1 375 . 1 1 82 82 THR C C 13 176.910 0.2 . 1 . . . . . 82 THR C . 26884 1 376 . 1 1 82 82 THR CA C 13 58.852 0.2 . 1 . . . . . 82 THR CA . 26884 1 377 . 1 1 82 82 THR CB C 13 67.782 0.2 . 1 . . . . . 82 THR CB . 26884 1 378 . 1 1 82 82 THR N N 15 115.070 0.2 . 1 . . . . . 82 THR N . 26884 1 379 . 1 1 83 83 LEU H H 1 8.990 0.02 . 1 . . . . . 83 LEU H . 26884 1 380 . 1 1 83 83 LEU C C 13 176.772 0.2 . 1 . . . . . 83 LEU C . 26884 1 381 . 1 1 83 83 LEU CA C 13 51.273 0.2 . 1 . . . . . 83 LEU CA . 26884 1 382 . 1 1 83 83 LEU CB C 13 43.337 0.2 . 1 . . . . . 83 LEU CB . 26884 1 383 . 1 1 83 83 LEU N N 15 126.167 0.2 . 1 . . . . . 83 LEU N . 26884 1 384 . 1 1 84 84 GLU H H 1 9.083 0.02 . 1 . . . . . 84 GLU H . 26884 1 385 . 1 1 84 84 GLU C C 13 176.370 0.2 . 1 . . . . . 84 GLU C . 26884 1 386 . 1 1 84 84 GLU CA C 13 51.555 0.2 . 1 . . . . . 84 GLU CA . 26884 1 387 . 1 1 84 84 GLU CB C 13 30.256 0.2 . 1 . . . . . 84 GLU CB . 26884 1 388 . 1 1 84 84 GLU N N 15 120.443 0.2 . 1 . . . . . 84 GLU N . 26884 1 389 . 1 1 85 85 TYR H H 1 8.671 0.02 . 1 . . . . . 85 TYR H . 26884 1 390 . 1 1 85 85 TYR C C 13 177.580 0.2 . 1 . . . . . 85 TYR C . 26884 1 391 . 1 1 85 85 TYR CA C 13 53.704 0.2 . 1 . . . . . 85 TYR CA . 26884 1 392 . 1 1 85 85 TYR CB C 13 36.215 0.2 . 1 . . . . . 85 TYR CB . 26884 1 393 . 1 1 85 85 TYR N N 15 127.854 0.2 . 1 . . . . . 85 TYR N . 26884 1 394 . 1 1 86 86 ARG H H 1 8.635 0.02 . 1 . . . . . 86 ARG H . 26884 1 395 . 1 1 86 86 ARG C C 13 177.469 0.2 . 1 . . . . . 86 ARG C . 26884 1 396 . 1 1 86 86 ARG CA C 13 52.008 0.2 . 1 . . . . . 86 ARG CA . 26884 1 397 . 1 1 86 86 ARG CB C 13 31.756 0.2 . 1 . . . . . 86 ARG CB . 26884 1 398 . 1 1 86 86 ARG N N 15 124.525 0.2 . 1 . . . . . 86 ARG N . 26884 1 399 . 1 1 87 87 ARG H H 1 8.389 0.02 . 1 . . . . . 87 ARG H . 26884 1 400 . 1 1 87 87 ARG C C 13 174.792 0.2 . 1 . . . . . 87 ARG C . 26884 1 401 . 1 1 87 87 ARG CA C 13 53.710 0.2 . 1 . . . . . 87 ARG CA . 26884 1 402 . 1 1 87 87 ARG CB C 13 27.690 0.2 . 1 . . . . . 87 ARG CB . 26884 1 403 . 1 1 87 87 ARG N N 15 123.920 0.2 . 1 . . . . . 87 ARG N . 26884 1 404 . 1 1 88 88 LYS H H 1 8.398 0.02 . 1 . . . . . 88 LYS H . 26884 1 405 . 1 1 88 88 LYS C C 13 175.582 0.2 . 1 . . . . . 88 LYS C . 26884 1 406 . 1 1 88 88 LYS CA C 13 54.025 0.2 . 1 . . . . . 88 LYS CA . 26884 1 407 . 1 1 88 88 LYS CB C 13 29.942 0.2 . 1 . . . . . 88 LYS CB . 26884 1 408 . 1 1 88 88 LYS N N 15 125.871 0.2 . 1 . . . . . 88 LYS N . 26884 1 409 . 1 1 89 89 THR H H 1 7.300 0.02 . 1 . . . . . 89 THR H . 26884 1 410 . 1 1 89 89 THR CA C 13 59.999 0.2 . 1 . . . . . 89 THR CA . 26884 1 411 . 1 1 89 89 THR CB C 13 67.915 0.2 . 1 . . . . . 89 THR CB . 26884 1 412 . 1 1 89 89 THR N N 15 120.000 0.2 . 1 . . . . . 89 THR N . 26884 1 stop_ save_