data_52606 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52606 _Entry.Title ; Assignment and dynamics (hetNOE, T1, T1 rho, T2) of Drosophila Ago2 4-repeats ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-09-11 _Entry.Accession_date 2024-09-11 _Entry.Last_release_date 2024-09-11 _Entry.Original_release_date 2024-09-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '4-repeats of repetitive regions of Drosophila Ago2' _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 Clara Hipp . . . . 52606 2 Michael Sattler . . . . 52606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52606 heteronucl_NOEs 1 52606 heteronucl_T1_relaxation 1 52606 heteronucl_T1rho_relaxation 1 52606 heteronucl_T2_relaxation 1 52606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 212 52606 '15N chemical shifts' 88 52606 '1H chemical shifts' 451 52606 'T1 relaxation values' 80 52606 'T1rho relaxation values' 77 52606 'T2 relaxation values' 80 52606 'heteronuclear NOE values' 80 52606 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 . . 2025-07-01 . original BMRB . 52606 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52605 'Backbone assignment of Loqs-PD_Nterm' 52606 BMRB 52607 'Chemical shift assignments and dynamics (hetNOE, T2) of the Q-rich N-terminus of Drosophila Ago2' 52606 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52606 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular mechanisms of biomolecular condensate formation in Drosophila melanogaster siRNA biogenesis ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Clara Hipp . . . . 52606 1 2 Selina Mussgnug . . . . 52606 1 3 Hyun-Seo Kang . . . . 52606 1 4 Sam Asami . . . . 52606 1 5 Judit Sastre . . . . 52606 1 6 Carsten Donau . . . . 52606 1 7 Gerd Gemmecker . . . . 52606 1 8 Job Boekhoven . . . . 52606 1 9 Klaus Forstemann . . . . 52606 1 10 Michael Sattler . . . . 52606 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA interference, Liquid-liquid phase separation, Intrinsically disordered regions' 52606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52606 _Assembly.ID 1 _Assembly.Name Ago2_4repeats _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 9952.26 _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 Ago2_4repeats 1 $entity_1 . . yes native no no . . . 52606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGHQQGRQGQEGGYQQRPPG QQQGGHQQGRQGQEGGYQQR PSGQQQGGHQQGRQGQEGGY QQRPPGQQQGGHQQGRQGQE GGYQQRPSGQQQ ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes Uniprot Q9VUQ5 . AGO2_DROME . . . . . . . . . . . . . . 52606 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 . GLY . 52606 1 2 . GLY . 52606 1 3 . HIS . 52606 1 4 . GLN . 52606 1 5 . GLN . 52606 1 6 . GLY . 52606 1 7 . ARG . 52606 1 8 . GLN . 52606 1 9 . GLY . 52606 1 10 . GLN . 52606 1 11 . GLU . 52606 1 12 . GLY . 52606 1 13 . GLY . 52606 1 14 . TYR . 52606 1 15 . GLN . 52606 1 16 . GLN . 52606 1 17 . ARG . 52606 1 18 . PRO . 52606 1 19 . PRO . 52606 1 20 . GLY . 52606 1 21 . GLN . 52606 1 22 . GLN . 52606 1 23 . GLN . 52606 1 24 . GLY . 52606 1 25 . GLY . 52606 1 26 . HIS . 52606 1 27 . GLN . 52606 1 28 . GLN . 52606 1 29 . GLY . 52606 1 30 . ARG . 52606 1 31 . GLN . 52606 1 32 . GLY . 52606 1 33 . GLN . 52606 1 34 . GLU . 52606 1 35 . GLY . 52606 1 36 . GLY . 52606 1 37 . TYR . 52606 1 38 . GLN . 52606 1 39 . GLN . 52606 1 40 . ARG . 52606 1 41 . PRO . 52606 1 42 . SER . 52606 1 43 . GLY . 52606 1 44 . GLN . 52606 1 45 . GLN . 52606 1 46 . GLN . 52606 1 47 . GLY . 52606 1 48 . GLY . 52606 1 49 . HIS . 52606 1 50 . GLN . 52606 1 51 . GLN . 52606 1 52 . GLY . 52606 1 53 . ARG . 52606 1 54 . GLN . 52606 1 55 . GLY . 52606 1 56 . GLN . 52606 1 57 . GLU . 52606 1 58 . GLY . 52606 1 59 . GLY . 52606 1 60 . TYR . 52606 1 61 . GLN . 52606 1 62 . GLN . 52606 1 63 . ARG . 52606 1 64 . PRO . 52606 1 65 . PRO . 52606 1 66 . GLY . 52606 1 67 . GLN . 52606 1 68 . GLN . 52606 1 69 . GLN . 52606 1 70 . GLY . 52606 1 71 . GLY . 52606 1 72 . HIS . 52606 1 73 . GLN . 52606 1 74 . GLN . 52606 1 75 . GLY . 52606 1 76 . ARG . 52606 1 77 . GLN . 52606 1 78 . GLY . 52606 1 79 . GLN . 52606 1 80 . GLU . 52606 1 81 . GLY . 52606 1 82 . GLY . 52606 1 83 . TYR . 52606 1 84 . GLN . 52606 1 85 . GLN . 52606 1 86 . ARG . 52606 1 87 . PRO . 52606 1 88 . SER . 52606 1 89 . GLY . 52606 1 90 . GLN . 52606 1 91 . GLN . 52606 1 92 . GLN . 52606 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52606 1 . GLY 2 2 52606 1 . HIS 3 3 52606 1 . GLN 4 4 52606 1 . GLN 5 5 52606 1 . GLY 6 6 52606 1 . ARG 7 7 52606 1 . GLN 8 8 52606 1 . GLY 9 9 52606 1 . GLN 10 10 52606 1 . GLU 11 11 52606 1 . GLY 12 12 52606 1 . GLY 13 13 52606 1 . TYR 14 14 52606 1 . GLN 15 15 52606 1 . GLN 16 16 52606 1 . ARG 17 17 52606 1 . PRO 18 18 52606 1 . PRO 19 19 52606 1 . GLY 20 20 52606 1 . GLN 21 21 52606 1 . GLN 22 22 52606 1 . GLN 23 23 52606 1 . GLY 24 24 52606 1 . GLY 25 25 52606 1 . HIS 26 26 52606 1 . GLN 27 27 52606 1 . GLN 28 28 52606 1 . GLY 29 29 52606 1 . ARG 30 30 52606 1 . GLN 31 31 52606 1 . GLY 32 32 52606 1 . GLN 33 33 52606 1 . GLU 34 34 52606 1 . GLY 35 35 52606 1 . GLY 36 36 52606 1 . TYR 37 37 52606 1 . GLN 38 38 52606 1 . GLN 39 39 52606 1 . ARG 40 40 52606 1 . PRO 41 41 52606 1 . SER 42 42 52606 1 . GLY 43 43 52606 1 . GLN 44 44 52606 1 . GLN 45 45 52606 1 . GLN 46 46 52606 1 . GLY 47 47 52606 1 . GLY 48 48 52606 1 . HIS 49 49 52606 1 . GLN 50 50 52606 1 . GLN 51 51 52606 1 . GLY 52 52 52606 1 . ARG 53 53 52606 1 . GLN 54 54 52606 1 . GLY 55 55 52606 1 . GLN 56 56 52606 1 . GLU 57 57 52606 1 . GLY 58 58 52606 1 . GLY 59 59 52606 1 . TYR 60 60 52606 1 . GLN 61 61 52606 1 . GLN 62 62 52606 1 . ARG 63 63 52606 1 . PRO 64 64 52606 1 . PRO 65 65 52606 1 . GLY 66 66 52606 1 . GLN 67 67 52606 1 . GLN 68 68 52606 1 . GLN 69 69 52606 1 . GLY 70 70 52606 1 . GLY 71 71 52606 1 . HIS 72 72 52606 1 . GLN 73 73 52606 1 . GLN 74 74 52606 1 . GLY 75 75 52606 1 . ARG 76 76 52606 1 . GLN 77 77 52606 1 . GLY 78 78 52606 1 . GLN 79 79 52606 1 . GLU 80 80 52606 1 . GLY 81 81 52606 1 . GLY 82 82 52606 1 . TYR 83 83 52606 1 . GLN 84 84 52606 1 . GLN 85 85 52606 1 . ARG 86 86 52606 1 . PRO 87 87 52606 1 . SER 88 88 52606 1 . GLY 89 89 52606 1 . GLN 90 90 52606 1 . GLN 91 91 52606 1 . GLN 92 92 52606 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52606 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 52606 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52606 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . plasmid . . pet24 . . . 52606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52606 _Sample.ID 1 _Sample.Name Ago2_4repeats_assign1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ago2_4repeats '[U-13C; U-15N]' . . 1 $entity_1 . . 2300 . . uM . . . . 52606 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52606 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52606 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52606 _Sample.ID 2 _Sample.Name Ago2_4repeats_assign2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ago2_4repeats '[U-13C; U-15N]' . . 1 $entity_1 . . 1000 . . uM . . . . 52606 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52606 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52606 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 52606 _Sample.ID 3 _Sample.Name Ago2_4repeats_assign3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 Ago2_4repeats '[U-13C; U-15N]' . . 1 $entity_1 . . 1000 . . uM . . . . 52606 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52606 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52606 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 52606 _Sample.ID 4 _Sample.Name Ago2_4repeats_T1rho _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ago2_4repeats [U-15N] . . 1 $entity_1 . . 1000 . . uM . . . . 52606 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52606 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52606 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 52606 _Sample.ID 5 _Sample.Name Ago2_4repeats_T1_T2_hetNOE _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ago2_4repeats [U-15N] . . 1 $entity_1 . . 850 . . uM . . . . 52606 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52606 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52606 5 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 52606 _Sample_condition_list.ID 1 _Sample_condition_list.Name Ago2_4repeats _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 6.5 . pH 52606 1 pressure 1 . atm 52606 1 temperature 298 . K 52606 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52606 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3.5, 3.7' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'collection, processing' . 52606 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52606 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52606 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52606 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment, data analysis' . 52606 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Purcell_500MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52606 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Pat_600MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52606 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name Chef_900MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 52606 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name Buster_950MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52606 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 2 '2D 1H-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 3 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 4 '3D CBCACONH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 5 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 6 '3D HNCACO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 7 '3D C(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 8 '3D H(CCO)NH' no yes . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 9 '3D (H)CCH-TOCSY' no yes . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52606 1 10 '3D HCCH-TOCSY' no yes . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52606 1 11 '2D 1H-13C HSQC aromatic' no no . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 12 '2D HBCBCGCDHD' no no . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 13 '2D HBCBCGCDCEHE' no no . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52606 1 14 'T1/R1 relaxation' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52606 1 15 'T2/R2 relaxation' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52606 1 16 '1H-15N heteronoe' no no yes . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52606 1 17 'T1rho/R1rho relaxation' no no yes . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52606 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52606 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference _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 internal indirect 0.251449530 . . . . . 52606 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . 52606 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 52606 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52606 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Ago2_4repeats_assignment _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52606 1 2 '2D 1H-13C HSQC' . . . 52606 1 3 '3D HNCACB' . . . 52606 1 4 '3D CBCACONH' . . . 52606 1 5 '3D HNCO' . . . 52606 1 6 '3D HNCACO' . . . 52606 1 7 '3D C(CO)NH' . . . 52606 1 8 '3D H(CCO)NH' . . . 52606 1 9 '3D (H)CCH-TOCSY' . . . 52606 1 10 '3D HCCH-TOCSY' . . . 52606 1 11 '2D 1H-13C HSQC aromatic' . . . 52606 1 12 '2D HBCBCGCDHD' . . . 52606 1 13 '2D HBCBCGCDCEHE' . . . 52606 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 3 $software_3 . . 52606 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.366 0.003 . 1 . . . . . 1 G HN . 52606 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.887 0 . 1 . . . . . 1 G HA . 52606 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.887 0 . 1 . . . . . 1 G HA . 52606 1 4 . 1 . 1 1 1 GLY CA C 13 42.621 0.029 . 1 . . . . . 1 G CA . 52606 1 5 . 1 . 1 1 1 GLY N N 15 110.274 0.024 . 1 . . . . . 1 G N . 52606 1 6 . 1 . 1 2 2 GLY H H 1 8.216 0.002 . 5 . . . . . 2 G HN . 52606 1 7 . 1 . 1 2 2 GLY HA2 H 1 3.852 0.005 . 5 . . . . . 2 G HA . 52606 1 8 . 1 . 1 2 2 GLY HA3 H 1 3.852 0.005 . 5 . . . . . 2 G HA . 52606 1 9 . 1 . 1 2 2 GLY CA C 13 42.529 0.047 . 5 . . . . . 2 G CA . 52606 1 10 . 1 . 1 2 2 GLY N N 15 108.449 0.012 . 5 . . . . . 2 G N . 52606 1 11 . 1 . 1 3 3 HIS H H 1 8.258 0.004 . 5 . . . . . 3 H HN . 52606 1 12 . 1 . 1 3 3 HIS HA H 1 4.554 0.003 . 5 . . . . . 3 H HA . 52606 1 13 . 1 . 1 3 3 HIS HB2 H 1 3.086 0 . 5 . . . . . 3 H HB2 . 52606 1 14 . 1 . 1 3 3 HIS HB3 H 1 3.006 0 . 5 . . . . . 3 H HB3 . 52606 1 15 . 1 . 1 3 3 HIS CA C 13 53.345 0.037 . 5 . . . . . 3 H CA . 52606 1 16 . 1 . 1 3 3 HIS CB C 13 27.409 0.063 . 5 . . . . . 3 H CB . 52606 1 17 . 1 . 1 3 3 HIS N N 15 118.953 0.025 . 5 . . . . . 3 H N . 52606 1 18 . 1 . 1 4 4 GLN H H 1 8.392 0.003 . 5 . . . . . 4 Q HN . 52606 1 19 . 1 . 1 4 4 GLN HA H 1 4.234 0.002 . 5 . . . . . 4 Q HA . 52606 1 20 . 1 . 1 4 4 GLN HB2 H 1 2.037 0 . 5 . . . . . 4 Q HB2 . 52606 1 21 . 1 . 1 4 4 GLN HB3 H 1 1.911 0 . 5 . . . . . 4 Q HB3 . 52606 1 22 . 1 . 1 4 4 GLN HG2 H 1 2.234 0.004 . 5 . . . . . 4 Q HG . 52606 1 23 . 1 . 1 4 4 GLN HG3 H 1 2.234 0.004 . 5 . . . . . 4 Q HG . 52606 1 24 . 1 . 1 4 4 GLN CA C 13 53.294 0.094 . 5 . . . . . 4 Q CA . 52606 1 25 . 1 . 1 4 4 GLN CB C 13 26.677 0.038 . 5 . . . . . 4 Q CB . 52606 1 26 . 1 . 1 4 4 GLN CG C 13 31.001 0.038 . 5 . . . . . 4 Q CG . 52606 1 27 . 1 . 1 4 4 GLN N N 15 121.763 0.009 . 5 . . . . . 4 Q N . 52606 1 28 . 1 . 1 5 5 GLN H H 1 8.434 0.002 . 5 . . . . . 5 Q HN . 52606 1 29 . 1 . 1 5 5 GLN HA H 1 4.237 0.005 . 5 . . . . . 5 Q HA . 52606 1 30 . 1 . 1 5 5 GLN HB2 H 1 2.037 0 . 5 . . . . . 5 Q HB2 . 52606 1 31 . 1 . 1 5 5 GLN HB3 H 1 1.911 0 . 5 . . . . . 5 Q HB3 . 52606 1 32 . 1 . 1 5 5 GLN HG2 H 1 2.288 0.001 . 5 . . . . . 5 Q HG . 52606 1 33 . 1 . 1 5 5 GLN HG3 H 1 2.288 0.001 . 5 . . . . . 5 Q HG . 52606 1 34 . 1 . 1 5 5 GLN CA C 13 53.377 0.037 . 5 . . . . . 5 Q CA . 52606 1 35 . 1 . 1 5 5 GLN CB C 13 26.709 0.01 . 5 . . . . . 5 Q CB . 52606 1 36 . 1 . 1 5 5 GLN CG C 13 31.03 0.058 . 5 . . . . . 5 Q CG . 52606 1 37 . 1 . 1 5 5 GLN N N 15 121.708 0.01 . 5 . . . . . 5 Q N . 52606 1 38 . 1 . 1 6 6 GLY H H 1 8.409 0.002 . 5 . . . . . 6 G HN . 52606 1 39 . 1 . 1 6 6 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 6 G HA . 52606 1 40 . 1 . 1 6 6 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 6 G HA . 52606 1 41 . 1 . 1 6 6 GLY CA C 13 42.611 0.031 . 5 . . . . . 6 G CA . 52606 1 42 . 1 . 1 6 6 GLY N N 15 110.225 0.007 . 5 . . . . . 6 G N . 52606 1 43 . 1 . 1 7 7 ARG H H 1 8.155 0.002 . 5 . . . . . 7 R HN . 52606 1 44 . 1 . 1 7 7 ARG HA H 1 4.26 0.006 . 5 . . . . . 7 R HA . 52606 1 45 . 1 . 1 7 7 ARG HB2 H 1 1.758 0.015 . 5 . . . . . 7 R HB2 . 52606 1 46 . 1 . 1 7 7 ARG HB3 H 1 1.647 0 . 5 . . . . . 7 R HB3 . 52606 1 47 . 1 . 1 7 7 ARG HG2 H 1 1.548 0.01 . 5 . . . . . 7 R HG2 . 52606 1 48 . 1 . 1 7 7 ARG HG3 H 1 1.504 0 . 5 . . . . . 7 R HG3 . 52606 1 49 . 1 . 1 7 7 ARG HD2 H 1 3.08 0.002 . 5 . . . . . 7 R HD . 52606 1 50 . 1 . 1 7 7 ARG HD3 H 1 3.08 0.002 . 5 . . . . . 7 R HD . 52606 1 51 . 1 . 1 7 7 ARG HE H 1 7.107 0.003 . 5 . . . . . 7 R HE . 52606 1 52 . 1 . 1 7 7 ARG CA C 13 53.283 0.045 . 5 . . . . . 7 R CA . 52606 1 53 . 1 . 1 7 7 ARG CB C 13 28.057 0.04 . 5 . . . . . 7 R CB . 52606 1 54 . 1 . 1 7 7 ARG CG C 13 24.28 0.044 . 5 . . . . . 7 R CG . 52606 1 55 . 1 . 1 7 7 ARG CD C 13 40.578 0.051 . 5 . . . . . 7 R CD . 52606 1 56 . 1 . 1 7 7 ARG N N 15 120.539 0.006 . 5 . . . . . 7 R N . 52606 1 57 . 1 . 1 7 7 ARG NE N 15 84.68 0.001 . 5 . . . . . 7 R NE . 52606 1 58 . 1 . 1 8 8 GLN H H 1 8.471 0.003 . 5 . . . . . 8 Q HN . 52606 1 59 . 1 . 1 8 8 GLN HA H 1 4.236 0.003 . 5 . . . . . 8 Q HA . 52606 1 60 . 1 . 1 8 8 GLN HB2 H 1 2.037 0 . 5 . . . . . 8 Q HB2 . 52606 1 61 . 1 . 1 8 8 GLN HB3 H 1 1.911 0 . 5 . . . . . 8 Q HB3 . 52606 1 62 . 1 . 1 8 8 GLN HG2 H 1 2.286 0 . 5 . . . . . 8 Q HG . 52606 1 63 . 1 . 1 8 8 GLN HG3 H 1 2.286 0 . 5 . . . . . 8 Q HG . 52606 1 64 . 1 . 1 8 8 GLN CA C 13 53.461 0.048 . 5 . . . . . 8 Q CA . 52606 1 65 . 1 . 1 8 8 GLN CB C 13 26.631 0.064 . 5 . . . . . 8 Q CB . 52606 1 66 . 1 . 1 8 8 GLN CG C 13 31.055 0.033 . 5 . . . . . 8 Q CG . 52606 1 67 . 1 . 1 8 8 GLN N N 15 121.735 0.026 . 5 . . . . . 8 Q N . 52606 1 68 . 1 . 1 9 9 GLY H H 1 8.459 0.002 . 5 . . . . . 9 G HN . 52606 1 69 . 1 . 1 9 9 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 9 G HA . 52606 1 70 . 1 . 1 9 9 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 9 G HA . 52606 1 71 . 1 . 1 9 9 GLY CA C 13 42.66 0.024 . 5 . . . . . 9 G CA . 52606 1 72 . 1 . 1 9 9 GLY N N 15 110.52 0.012 . 5 . . . . . 9 G N . 52606 1 73 . 1 . 1 10 10 GLN H H 1 8.183 0.002 . 5 . . . . . 10 Q HN . 52606 1 74 . 1 . 1 10 10 GLN HA H 1 4.269 0.004 . 5 . . . . . 10 Q HA . 52606 1 75 . 1 . 1 10 10 GLN HB2 H 1 2.039 0.003 . 5 . . . . . 10 Q HB2 . 52606 1 76 . 1 . 1 10 10 GLN HB3 H 1 1.9 0.011 . 5 . . . . . 10 Q HB3 . 52606 1 77 . 1 . 1 10 10 GLN HG2 H 1 2.232 0.004 . 5 . . . . . 10 Q HG . 52606 1 78 . 1 . 1 10 10 GLN HG3 H 1 2.232 0.004 . 5 . . . . . 10 Q HG . 52606 1 79 . 1 . 1 10 10 GLN CA C 13 53.103 0.061 . 5 . . . . . 10 Q CA . 52606 1 80 . 1 . 1 10 10 GLN CB C 13 26.72 0.018 . 5 . . . . . 10 Q CB . 52606 1 81 . 1 . 1 10 10 GLN CG C 13 31.001 0.038 . 5 . . . . . 10 Q CG . 52606 1 82 . 1 . 1 10 10 GLN N N 15 119.741 0.012 . 5 . . . . . 10 Q N . 52606 1 83 . 1 . 1 11 11 GLU H H 1 8.57 0.002 . 5 . . . . . 11 E HN . 52606 1 84 . 1 . 1 11 11 GLU HA H 1 4.197 0 . 5 . . . . . 11 E HA . 52606 1 85 . 1 . 1 11 11 GLU HB2 H 1 1.991 0 . 5 . . . . . 11 E HB2 . 52606 1 86 . 1 . 1 11 11 GLU HB3 H 1 1.89 0 . 5 . . . . . 11 E HB3 . 52606 1 87 . 1 . 1 11 11 GLU HG2 H 1 2.202 0.001 . 5 . . . . . 11 E HG . 52606 1 88 . 1 . 1 11 11 GLU HG3 H 1 2.202 0.001 . 5 . . . . . 11 E HG . 52606 1 89 . 1 . 1 11 11 GLU CA C 13 54.322 0.049 . 5 . . . . . 11 E CA . 52606 1 90 . 1 . 1 11 11 GLU CB C 13 27.296 0.035 . 5 . . . . . 11 E CB . 52606 1 91 . 1 . 1 11 11 GLU CG C 13 33.492 0.049 . 5 . . . . . 11 E CG . 52606 1 92 . 1 . 1 11 11 GLU N N 15 122.255 0.01 . 5 . . . . . 11 E N . 52606 1 93 . 1 . 1 12 12 GLY H H 1 8.374 0.002 . 5 . . . . . 12 G HN . 52606 1 94 . 1 . 1 12 12 GLY HA2 H 1 3.877 0.011 . 5 . . . . . 12 G HA . 52606 1 95 . 1 . 1 12 12 GLY HA3 H 1 3.877 0.011 . 5 . . . . . 12 G HA . 52606 1 96 . 1 . 1 12 12 GLY CA C 13 42.669 0.033 . 5 . . . . . 12 G CA . 52606 1 97 . 1 . 1 12 12 GLY N N 15 109.901 0.023 . 5 . . . . . 12 G N . 52606 1 98 . 1 . 1 13 13 GLY H H 1 8.137 0.002 . 5 . . . . . 13 G HN . 52606 1 99 . 1 . 1 13 13 GLY HA2 H 1 3.84 0 . 5 . . . . . 13 G HA . 52606 1 100 . 1 . 1 13 13 GLY HA3 H 1 3.84 0 . 5 . . . . . 13 G HA . 52606 1 101 . 1 . 1 13 13 GLY CA C 13 42.51 0.05 . 5 . . . . . 13 G CA . 52606 1 102 . 1 . 1 13 13 GLY N N 15 108.432 0.012 . 5 . . . . . 13 G N . 52606 1 103 . 1 . 1 14 14 TYR H H 1 8.009 0.002 . 5 . . . . . 14 Y HN . 52606 1 104 . 1 . 1 14 14 TYR HA H 1 4.431 0.002 . 5 . . . . . 14 Y HA . 52606 1 105 . 1 . 1 14 14 TYR HB2 H 1 2.919 0 . 5 . . . . . 14 Y HB2 . 52606 1 106 . 1 . 1 14 14 TYR HB3 H 1 2.876 0 . 5 . . . . . 14 Y HB3 . 52606 1 107 . 1 . 1 14 14 TYR CA C 13 55.417 0.015 . 5 . . . . . 14 Y CA . 52606 1 108 . 1 . 1 14 14 TYR CB C 13 35.953 0.042 . 5 . . . . . 14 Y CB . 52606 1 109 . 1 . 1 14 14 TYR N N 15 120.077 0.008 . 5 . . . . . 14 Y N . 52606 1 110 . 1 . 1 15 15 GLN H H 1 8.184 0.002 . 5 . . . . . 15 Q HN . 52606 1 111 . 1 . 1 15 15 GLN HA H 1 4.162 0.002 . 5 . . . . . 15 Q HA . 52606 1 112 . 1 . 1 15 15 GLN HB2 H 1 1.933 0 . 5 . . . . . 15 Q HB2 . 52606 1 113 . 1 . 1 15 15 GLN HB3 H 1 1.802 0 . 5 . . . . . 15 Q HB3 . 52606 1 114 . 1 . 1 15 15 GLN HG2 H 1 2.175 0 . 5 . . . . . 15 Q HG . 52606 1 115 . 1 . 1 15 15 GLN HG3 H 1 2.175 0 . 5 . . . . . 15 Q HG . 52606 1 116 . 1 . 1 15 15 GLN CA C 13 52.944 0.059 . 5 . . . . . 15 Q CA . 52606 1 117 . 1 . 1 15 15 GLN CB C 13 26.785 0.007 . 5 . . . . . 15 Q CB . 52606 1 118 . 1 . 1 15 15 GLN CG C 13 30.97 0.042 . 5 . . . . . 15 Q CG . 52606 1 119 . 1 . 1 15 15 GLN N N 15 122.378 0.01 . 5 . . . . . 15 Q N . 52606 1 120 . 1 . 1 16 16 GLN H H 1 8.233 0.002 . 5 . . . . . 16 Q HN . 52606 1 121 . 1 . 1 16 16 GLN HA H 1 4.167 0 . 5 . . . . . 16 Q HA . 52606 1 122 . 1 . 1 16 16 GLN HB2 H 1 1.993 0 . 5 . . . . . 16 Q HB2 . 52606 1 123 . 1 . 1 16 16 GLN HB3 H 1 1.878 0 . 5 . . . . . 16 Q HB3 . 52606 1 124 . 1 . 1 16 16 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 16 Q HG . 52606 1 125 . 1 . 1 16 16 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 16 Q HG . 52606 1 126 . 1 . 1 16 16 GLN CA C 13 53.118 0.02 . 5 . . . . . 16 Q CA . 52606 1 127 . 1 . 1 16 16 GLN CB C 13 26.686 0.043 . 5 . . . . . 16 Q CB . 52606 1 128 . 1 . 1 16 16 GLN CG C 13 31.032 0.052 . 5 . . . . . 16 Q CG . 52606 1 129 . 1 . 1 16 16 GLN N N 15 121.707 0.006 . 5 . . . . . 16 Q N . 52606 1 130 . 1 . 1 17 17 ARG H H 1 8.321 0.002 . 5 . . . . . 17 R HN . 52606 1 131 . 1 . 1 17 17 ARG HA H 1 4.524 0 . 5 . . . . . 17 R HA . 52606 1 132 . 1 . 1 17 17 ARG HB2 H 1 1.736 0 . 5 . . . . . 17 R HB2 . 52606 1 133 . 1 . 1 17 17 ARG HB3 H 1 1.629 0 . 5 . . . . . 17 R HB3 . 52606 1 134 . 1 . 1 17 17 ARG HG2 H 1 1.538 0 . 5 . . . . . 17 R HG2 . 52606 1 135 . 1 . 1 17 17 ARG HG3 H 1 1.574 0 . 5 . . . . . 17 R HG3 . 52606 1 136 . 1 . 1 17 17 ARG HD2 H 1 3.109 0 . 5 . . . . . 17 R HD . 52606 1 137 . 1 . 1 17 17 ARG HD3 H 1 3.109 0 . 5 . . . . . 17 R HD . 52606 1 138 . 1 . 1 17 17 ARG HE H 1 7.107 0.003 . 5 . . . . . 17 R HE . 52606 1 139 . 1 . 1 17 17 ARG CA C 13 51.254 0.016 . 5 . . . . . 17 R CA . 52606 1 140 . 1 . 1 17 17 ARG CB C 13 27.505 0.016 . 5 . . . . . 17 R CB . 52606 1 141 . 1 . 1 17 17 ARG CG C 13 24.143 0 . 5 . . . . . 17 R CG . 52606 1 142 . 1 . 1 17 17 ARG CD C 13 40.674 0 . 5 . . . . . 17 R CD . 52606 1 143 . 1 . 1 17 17 ARG N N 15 123.656 0.006 . 5 . . . . . 17 R N . 52606 1 144 . 1 . 1 17 17 ARG NE N 15 84.68 0.001 . 5 . . . . . 17 R NE . 52606 1 145 . 1 . 1 18 18 PRO HA H 1 4.6 0 . 5 . . . . . 18 P HA . 52606 1 146 . 1 . 1 18 18 PRO HB2 H 1 2.274 0 . 5 . . . . . 18 P HB2 . 52606 1 147 . 1 . 1 18 18 PRO HB3 H 1 1.772 0 . 5 . . . . . 18 P HB3 . 52606 1 148 . 1 . 1 18 18 PRO HG2 H 1 1.935 0 . 5 . . . . . 18 P HG . 52606 1 149 . 1 . 1 18 18 PRO HG3 H 1 1.935 0 . 5 . . . . . 18 P HG . 52606 1 150 . 1 . 1 18 18 PRO HD2 H 1 3.726 0 . 5 . . . . . 18 P HD2 . 52606 1 151 . 1 . 1 18 18 PRO HD3 H 1 3.471 0 . 5 . . . . . 18 P HD3 . 52606 1 152 . 1 . 1 18 18 PRO CA C 13 58.796 0 . 5 . . . . . 18 P CA . 52606 1 153 . 1 . 1 18 18 PRO CB C 13 28.111 0.024 . 5 . . . . . 18 P CB . 52606 1 154 . 1 . 1 18 18 PRO CG C 13 24.716 0 . 5 . . . . . 18 P CG . 52606 1 155 . 1 . 1 18 18 PRO CD C 13 47.883 0.007 . 5 . . . . . 18 P CD . 52606 1 156 . 1 . 1 19 19 PRO HA H 1 4.324 0.002 . 5 . . . . . 19 P HA . 52606 1 157 . 1 . 1 19 19 PRO HB2 H 1 2.21 0.008 . 5 . . . . . 19 P HB2 . 52606 1 158 . 1 . 1 19 19 PRO HB3 H 1 1.885 0.016 . 5 . . . . . 19 P HB3 . 52606 1 159 . 1 . 1 19 19 PRO HG2 H 1 1.91 0.01 . 5 . . . . . 19 P HG . 52606 1 160 . 1 . 1 19 19 PRO HG3 H 1 1.91 0.01 . 5 . . . . . 19 P HG . 52606 1 161 . 1 . 1 19 19 PRO HD2 H 1 3.553 0.014 . 5 . . . . . 19 P HD . 52606 1 162 . 1 . 1 19 19 PRO HD3 H 1 3.553 0.014 . 5 . . . . . 19 P HD . 52606 1 163 . 1 . 1 19 19 PRO CA C 13 60.618 0.061 . 5 . . . . . 19 P CA . 52606 1 164 . 1 . 1 19 19 PRO CB C 13 29.269 0.077 . 5 . . . . . 19 P CB . 52606 1 165 . 1 . 1 19 19 PRO CG C 13 24.649 0.094 . 5 . . . . . 19 P CG . 52606 1 166 . 1 . 1 19 19 PRO CD C 13 47.739 0.05 . 5 . . . . . 19 P CD . 52606 1 167 . 1 . 1 20 20 GLY H H 1 8.385 0.002 . 5 . . . . . 20 G HN . 52606 1 168 . 1 . 1 20 20 GLY HA2 H 1 3.869 0.003 . 5 . . . . . 20 G HA . 52606 1 169 . 1 . 1 20 20 GLY HA3 H 1 3.869 0.003 . 5 . . . . . 20 G HA . 52606 1 170 . 1 . 1 20 20 GLY CA C 13 42.581 0.036 . 5 . . . . . 20 G CA . 52606 1 171 . 1 . 1 20 20 GLY N N 15 108.718 0.007 . 5 . . . . . 20 G N . 52606 1 172 . 1 . 1 21 21 GLN H H 1 8.104 0.004 . 5 . . . . . 21 Q HN . 52606 1 173 . 1 . 1 21 21 GLN HA H 1 4.266 0 . 5 . . . . . 21 Q HA . 52606 1 174 . 1 . 1 21 21 GLN HB2 H 1 2.037 0 . 5 . . . . . 21 Q HB2 . 52606 1 175 . 1 . 1 21 21 GLN HB3 H 1 1.873 0.005 . 5 . . . . . 21 Q HB3 . 52606 1 176 . 1 . 1 21 21 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 21 Q HG . 52606 1 177 . 1 . 1 21 21 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 21 Q HG . 52606 1 178 . 1 . 1 21 21 GLN CA C 13 53.158 0.063 . 5 . . . . . 21 Q CA . 52606 1 179 . 1 . 1 21 21 GLN CB C 13 26.754 0.045 . 5 . . . . . 21 Q CB . 52606 1 180 . 1 . 1 21 21 GLN CG C 13 31.03 0.025 . 5 . . . . . 21 Q CG . 52606 1 181 . 1 . 1 21 21 GLN N N 15 119.679 0.004 . 5 . . . . . 21 Q N . 52606 1 182 . 1 . 1 22 22 GLN H H 1 8.405 0.002 . 5 . . . . . 22 Q HN . 52606 1 183 . 1 . 1 22 22 GLN HA H 1 4.236 0.003 . 5 . . . . . 22 Q HA . 52606 1 184 . 1 . 1 22 22 GLN HB2 H 1 2.037 0 . 5 . . . . . 22 Q HB2 . 52606 1 185 . 1 . 1 22 22 GLN HB3 H 1 1.911 0 . 5 . . . . . 22 Q HB3 . 52606 1 186 . 1 . 1 22 22 GLN HG2 H 1 2.288 0.003 . 5 . . . . . 22 Q HG . 52606 1 187 . 1 . 1 22 22 GLN HG3 H 1 2.288 0.003 . 5 . . . . . 22 Q HG . 52606 1 188 . 1 . 1 22 22 GLN CA C 13 53.323 0.054 . 5 . . . . . 22 Q CA . 52606 1 189 . 1 . 1 22 22 GLN CB C 13 26.757 0.049 . 5 . . . . . 22 Q CB . 52606 1 190 . 1 . 1 22 22 GLN CG C 13 31.064 0.024 . 5 . . . . . 22 Q CG . 52606 1 191 . 1 . 1 22 22 GLN N N 15 122.467 0.009 . 5 . . . . . 22 Q N . 52606 1 192 . 1 . 1 25 25 GLY H H 1 8.216 0.002 . 5 . . . . . 25 G HN . 52606 1 193 . 1 . 1 25 25 GLY HA2 H 1 3.852 0.005 . 5 . . . . . 25 G HA . 52606 1 194 . 1 . 1 25 25 GLY HA3 H 1 3.852 0.005 . 5 . . . . . 25 G HA . 52606 1 195 . 1 . 1 25 25 GLY CA C 13 42.529 0.047 . 5 . . . . . 25 G CA . 52606 1 196 . 1 . 1 25 25 GLY N N 15 108.449 0.012 . 5 . . . . . 25 G N . 52606 1 197 . 1 . 1 26 26 HIS H H 1 8.258 0.004 . 5 . . . . . 26 H HN . 52606 1 198 . 1 . 1 26 26 HIS HA H 1 4.554 0.003 . 5 . . . . . 26 H HA . 52606 1 199 . 1 . 1 26 26 HIS HB2 H 1 3.086 0 . 5 . . . . . 26 H HB2 . 52606 1 200 . 1 . 1 26 26 HIS HB3 H 1 3.006 0 . 5 . . . . . 26 H HB3 . 52606 1 201 . 1 . 1 26 26 HIS CA C 13 53.345 0.037 . 5 . . . . . 26 H CA . 52606 1 202 . 1 . 1 26 26 HIS CB C 13 27.409 0.063 . 5 . . . . . 26 H CB . 52606 1 203 . 1 . 1 26 26 HIS N N 15 118.953 0.025 . 5 . . . . . 26 H N . 52606 1 204 . 1 . 1 27 27 GLN H H 1 8.392 0.003 . 5 . . . . . 27 Q HN . 52606 1 205 . 1 . 1 27 27 GLN HA H 1 4.234 0.002 . 5 . . . . . 27 Q HA . 52606 1 206 . 1 . 1 27 27 GLN HB2 H 1 2.037 0 . 5 . . . . . 27 Q HB2 . 52606 1 207 . 1 . 1 27 27 GLN HB3 H 1 1.911 0 . 5 . . . . . 27 Q HB3 . 52606 1 208 . 1 . 1 27 27 GLN HG2 H 1 2.234 0.004 . 5 . . . . . 27 Q HG . 52606 1 209 . 1 . 1 27 27 GLN HG3 H 1 2.234 0.004 . 5 . . . . . 27 Q HG . 52606 1 210 . 1 . 1 27 27 GLN CA C 13 53.294 0.094 . 5 . . . . . 27 Q CA . 52606 1 211 . 1 . 1 27 27 GLN CB C 13 26.677 0.038 . 5 . . . . . 27 Q CB . 52606 1 212 . 1 . 1 27 27 GLN CG C 13 31.001 0.038 . 5 . . . . . 27 Q CG . 52606 1 213 . 1 . 1 27 27 GLN N N 15 121.763 0.009 . 5 . . . . . 27 Q N . 52606 1 214 . 1 . 1 28 28 GLN H H 1 8.434 0.002 . 5 . . . . . 28 Q HN . 52606 1 215 . 1 . 1 28 28 GLN HA H 1 4.237 0.005 . 5 . . . . . 28 Q HA . 52606 1 216 . 1 . 1 28 28 GLN HB2 H 1 2.037 0 . 5 . . . . . 28 Q HB2 . 52606 1 217 . 1 . 1 28 28 GLN HB3 H 1 1.911 0 . 5 . . . . . 28 Q HB3 . 52606 1 218 . 1 . 1 28 28 GLN HG2 H 1 2.288 0.001 . 5 . . . . . 28 Q HG . 52606 1 219 . 1 . 1 28 28 GLN HG3 H 1 2.288 0.001 . 5 . . . . . 28 Q HG . 52606 1 220 . 1 . 1 28 28 GLN CA C 13 53.377 0.037 . 5 . . . . . 28 Q CA . 52606 1 221 . 1 . 1 28 28 GLN CB C 13 26.709 0.01 . 5 . . . . . 28 Q CB . 52606 1 222 . 1 . 1 28 28 GLN CG C 13 31.03 0.058 . 5 . . . . . 28 Q CG . 52606 1 223 . 1 . 1 28 28 GLN N N 15 121.708 0.01 . 5 . . . . . 28 Q N . 52606 1 224 . 1 . 1 29 29 GLY H H 1 8.409 0.002 . 5 . . . . . 29 G HN . 52606 1 225 . 1 . 1 29 29 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 29 G HA . 52606 1 226 . 1 . 1 29 29 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 29 G HA . 52606 1 227 . 1 . 1 29 29 GLY CA C 13 42.611 0.031 . 5 . . . . . 29 G CA . 52606 1 228 . 1 . 1 29 29 GLY N N 15 110.225 0.007 . 5 . . . . . 29 G N . 52606 1 229 . 1 . 1 30 30 ARG H H 1 8.155 0.002 . 5 . . . . . 30 R HN . 52606 1 230 . 1 . 1 30 30 ARG HA H 1 4.26 0.006 . 5 . . . . . 30 R HA . 52606 1 231 . 1 . 1 30 30 ARG HB2 H 1 1.758 0.015 . 5 . . . . . 30 R HB2 . 52606 1 232 . 1 . 1 30 30 ARG HB3 H 1 1.647 0 . 5 . . . . . 30 R HB3 . 52606 1 233 . 1 . 1 30 30 ARG HG2 H 1 1.548 0.01 . 5 . . . . . 30 R HG2 . 52606 1 234 . 1 . 1 30 30 ARG HG3 H 1 1.504 0 . 5 . . . . . 30 R HG3 . 52606 1 235 . 1 . 1 30 30 ARG HD2 H 1 3.08 0.002 . 5 . . . . . 30 R HD . 52606 1 236 . 1 . 1 30 30 ARG HD3 H 1 3.08 0.002 . 5 . . . . . 30 R HD . 52606 1 237 . 1 . 1 30 30 ARG HE H 1 7.107 0.003 . 5 . . . . . 30 R HE . 52606 1 238 . 1 . 1 30 30 ARG CA C 13 53.283 0.045 . 5 . . . . . 30 R CA . 52606 1 239 . 1 . 1 30 30 ARG CB C 13 28.057 0.04 . 5 . . . . . 30 R CB . 52606 1 240 . 1 . 1 30 30 ARG CG C 13 24.28 0.044 . 5 . . . . . 30 R CG . 52606 1 241 . 1 . 1 30 30 ARG CD C 13 40.578 0.051 . 5 . . . . . 30 R CD . 52606 1 242 . 1 . 1 30 30 ARG N N 15 120.539 0.006 . 5 . . . . . 30 R N . 52606 1 243 . 1 . 1 30 30 ARG NE N 15 84.68 0.001 . 5 . . . . . 30 R NE . 52606 1 244 . 1 . 1 31 31 GLN H H 1 8.471 0.003 . 5 . . . . . 31 Q HN . 52606 1 245 . 1 . 1 31 31 GLN HA H 1 4.236 0.003 . 5 . . . . . 31 Q HA . 52606 1 246 . 1 . 1 31 31 GLN HB2 H 1 2.037 0 . 5 . . . . . 31 Q HB2 . 52606 1 247 . 1 . 1 31 31 GLN HB3 H 1 1.911 0 . 5 . . . . . 31 Q HB3 . 52606 1 248 . 1 . 1 31 31 GLN HG2 H 1 2.286 0 . 5 . . . . . 31 Q HG . 52606 1 249 . 1 . 1 31 31 GLN HG3 H 1 2.286 0 . 5 . . . . . 31 Q HG . 52606 1 250 . 1 . 1 31 31 GLN CA C 13 53.461 0.048 . 5 . . . . . 31 Q CA . 52606 1 251 . 1 . 1 31 31 GLN CB C 13 26.631 0.064 . 5 . . . . . 31 Q CB . 52606 1 252 . 1 . 1 31 31 GLN CG C 13 31.055 0.033 . 5 . . . . . 31 Q CG . 52606 1 253 . 1 . 1 31 31 GLN N N 15 121.735 0.026 . 5 . . . . . 31 Q N . 52606 1 254 . 1 . 1 32 32 GLY H H 1 8.459 0.002 . 5 . . . . . 32 G HN . 52606 1 255 . 1 . 1 32 32 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 32 G HA . 52606 1 256 . 1 . 1 32 32 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 32 G HA . 52606 1 257 . 1 . 1 32 32 GLY CA C 13 42.66 0.024 . 5 . . . . . 32 G CA . 52606 1 258 . 1 . 1 32 32 GLY N N 15 110.52 0.012 . 5 . . . . . 32 G N . 52606 1 259 . 1 . 1 33 33 GLN H H 1 8.183 0.002 . 5 . . . . . 33 Q HN . 52606 1 260 . 1 . 1 33 33 GLN HA H 1 4.269 0.004 . 5 . . . . . 33 Q HA . 52606 1 261 . 1 . 1 33 33 GLN HB2 H 1 2.039 0.003 . 5 . . . . . 33 Q HB2 . 52606 1 262 . 1 . 1 33 33 GLN HB3 H 1 1.9 0.011 . 5 . . . . . 33 Q HB3 . 52606 1 263 . 1 . 1 33 33 GLN HG2 H 1 2.232 0.004 . 5 . . . . . 33 Q HG . 52606 1 264 . 1 . 1 33 33 GLN HG3 H 1 2.232 0.004 . 5 . . . . . 33 Q HG . 52606 1 265 . 1 . 1 33 33 GLN CA C 13 53.103 0.061 . 5 . . . . . 33 Q CA . 52606 1 266 . 1 . 1 33 33 GLN CB C 13 26.72 0.018 . 5 . . . . . 33 Q CB . 52606 1 267 . 1 . 1 33 33 GLN CG C 13 31.001 0.038 . 5 . . . . . 33 Q CG . 52606 1 268 . 1 . 1 33 33 GLN N N 15 119.741 0.012 . 5 . . . . . 33 Q N . 52606 1 269 . 1 . 1 34 34 GLU H H 1 8.57 0.002 . 5 . . . . . 34 E HN . 52606 1 270 . 1 . 1 34 34 GLU HA H 1 4.197 0 . 5 . . . . . 34 E HA . 52606 1 271 . 1 . 1 34 34 GLU HB2 H 1 1.991 0 . 5 . . . . . 34 E HB2 . 52606 1 272 . 1 . 1 34 34 GLU HB3 H 1 1.89 0 . 5 . . . . . 34 E HB3 . 52606 1 273 . 1 . 1 34 34 GLU HG2 H 1 2.202 0.001 . 5 . . . . . 34 E HG . 52606 1 274 . 1 . 1 34 34 GLU HG3 H 1 2.202 0.001 . 5 . . . . . 34 E HG . 52606 1 275 . 1 . 1 34 34 GLU CA C 13 54.322 0.049 . 5 . . . . . 34 E CA . 52606 1 276 . 1 . 1 34 34 GLU CB C 13 27.296 0.035 . 5 . . . . . 34 E CB . 52606 1 277 . 1 . 1 34 34 GLU CG C 13 33.492 0.049 . 5 . . . . . 34 E CG . 52606 1 278 . 1 . 1 34 34 GLU N N 15 122.255 0.01 . 5 . . . . . 34 E N . 52606 1 279 . 1 . 1 35 35 GLY H H 1 8.374 0.002 . 5 . . . . . 35 G HN . 52606 1 280 . 1 . 1 35 35 GLY HA2 H 1 3.877 0.011 . 5 . . . . . 35 G HA . 52606 1 281 . 1 . 1 35 35 GLY HA3 H 1 3.877 0.011 . 5 . . . . . 35 G HA . 52606 1 282 . 1 . 1 35 35 GLY CA C 13 42.669 0.033 . 5 . . . . . 35 G CA . 52606 1 283 . 1 . 1 35 35 GLY N N 15 109.901 0.023 . 5 . . . . . 35 G N . 52606 1 284 . 1 . 1 36 36 GLY H H 1 8.137 0.002 . 5 . . . . . 36 G HN . 52606 1 285 . 1 . 1 36 36 GLY HA2 H 1 3.84 0 . 5 . . . . . 36 G HA . 52606 1 286 . 1 . 1 36 36 GLY HA3 H 1 3.84 0 . 5 . . . . . 36 G HA . 52606 1 287 . 1 . 1 36 36 GLY CA C 13 42.51 0.05 . 5 . . . . . 36 G CA . 52606 1 288 . 1 . 1 36 36 GLY N N 15 108.432 0.012 . 5 . . . . . 36 G N . 52606 1 289 . 1 . 1 37 37 TYR H H 1 8.009 0.002 . 5 . . . . . 37 Y HN . 52606 1 290 . 1 . 1 37 37 TYR HA H 1 4.431 0.002 . 5 . . . . . 37 Y HA . 52606 1 291 . 1 . 1 37 37 TYR HB2 H 1 2.919 0 . 5 . . . . . 37 Y HB2 . 52606 1 292 . 1 . 1 37 37 TYR HB3 H 1 2.876 0 . 5 . . . . . 37 Y HB3 . 52606 1 293 . 1 . 1 37 37 TYR CA C 13 55.417 0.015 . 5 . . . . . 37 Y CA . 52606 1 294 . 1 . 1 37 37 TYR CB C 13 35.953 0.042 . 5 . . . . . 37 Y CB . 52606 1 295 . 1 . 1 37 37 TYR N N 15 120.077 0.008 . 5 . . . . . 37 Y N . 52606 1 296 . 1 . 1 38 38 GLN H H 1 8.184 0.002 . 5 . . . . . 38 Q HN . 52606 1 297 . 1 . 1 38 38 GLN HA H 1 4.162 0.002 . 5 . . . . . 38 Q HA . 52606 1 298 . 1 . 1 38 38 GLN HB2 H 1 1.933 0 . 5 . . . . . 38 Q HB2 . 52606 1 299 . 1 . 1 38 38 GLN HB3 H 1 1.802 0 . 5 . . . . . 38 Q HB3 . 52606 1 300 . 1 . 1 38 38 GLN HG2 H 1 2.175 0 . 5 . . . . . 38 Q HG . 52606 1 301 . 1 . 1 38 38 GLN HG3 H 1 2.175 0 . 5 . . . . . 38 Q HG . 52606 1 302 . 1 . 1 38 38 GLN CA C 13 52.944 0.059 . 5 . . . . . 38 Q CA . 52606 1 303 . 1 . 1 38 38 GLN CB C 13 26.785 0.007 . 5 . . . . . 38 Q CB . 52606 1 304 . 1 . 1 38 38 GLN CG C 13 30.97 0.042 . 5 . . . . . 38 Q CG . 52606 1 305 . 1 . 1 38 38 GLN N N 15 122.378 0.01 . 5 . . . . . 38 Q N . 52606 1 306 . 1 . 1 39 39 GLN H H 1 8.233 0.002 . 5 . . . . . 39 Q HN . 52606 1 307 . 1 . 1 39 39 GLN HA H 1 4.167 0 . 5 . . . . . 39 Q HA . 52606 1 308 . 1 . 1 39 39 GLN HB2 H 1 1.993 0 . 5 . . . . . 39 Q HB2 . 52606 1 309 . 1 . 1 39 39 GLN HB3 H 1 1.878 0 . 5 . . . . . 39 Q HB3 . 52606 1 310 . 1 . 1 39 39 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 39 Q HG . 52606 1 311 . 1 . 1 39 39 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 39 Q HG . 52606 1 312 . 1 . 1 39 39 GLN CA C 13 53.118 0.02 . 5 . . . . . 39 Q CA . 52606 1 313 . 1 . 1 39 39 GLN CB C 13 26.686 0.043 . 5 . . . . . 39 Q CB . 52606 1 314 . 1 . 1 39 39 GLN CG C 13 31.032 0.052 . 5 . . . . . 39 Q CG . 52606 1 315 . 1 . 1 39 39 GLN N N 15 121.707 0.006 . 5 . . . . . 39 Q N . 52606 1 316 . 1 . 1 40 40 ARG H H 1 8.321 0.002 . 5 . . . . . 40 R HN . 52606 1 317 . 1 . 1 40 40 ARG HA H 1 4.524 0 . 5 . . . . . 40 R HA . 52606 1 318 . 1 . 1 40 40 ARG HB2 H 1 1.736 0 . 5 . . . . . 40 R HB2 . 52606 1 319 . 1 . 1 40 40 ARG HB3 H 1 1.629 0 . 5 . . . . . 40 R HB3 . 52606 1 320 . 1 . 1 40 40 ARG HG2 H 1 1.538 0 . 5 . . . . . 40 R HG2 . 52606 1 321 . 1 . 1 40 40 ARG HG3 H 1 1.574 0 . 5 . . . . . 40 R HG3 . 52606 1 322 . 1 . 1 40 40 ARG HD2 H 1 3.109 0 . 5 . . . . . 40 R HD . 52606 1 323 . 1 . 1 40 40 ARG HD3 H 1 3.109 0 . 5 . . . . . 40 R HD . 52606 1 324 . 1 . 1 40 40 ARG HE H 1 7.107 0.003 . 5 . . . . . 40 R HE . 52606 1 325 . 1 . 1 40 40 ARG CA C 13 51.254 0.016 . 5 . . . . . 40 R CA . 52606 1 326 . 1 . 1 40 40 ARG CB C 13 27.505 0.016 . 5 . . . . . 40 R CB . 52606 1 327 . 1 . 1 40 40 ARG CG C 13 24.143 0 . 5 . . . . . 40 R CG . 52606 1 328 . 1 . 1 40 40 ARG CD C 13 40.674 0 . 5 . . . . . 40 R CD . 52606 1 329 . 1 . 1 40 40 ARG N N 15 123.656 0.006 . 5 . . . . . 40 R N . 52606 1 330 . 1 . 1 40 40 ARG NE N 15 84.68 0.001 . 5 . . . . . 40 R NE . 52606 1 331 . 1 . 1 41 41 PRO HA H 1 4.371 0 . 5 . . . . . 41 P HA . 52606 1 332 . 1 . 1 41 41 PRO HB2 H 1 2.225 0.003 . 5 . . . . . 41 P HB2 . 52606 1 333 . 1 . 1 41 41 PRO HB3 H 1 1.857 0.011 . 5 . . . . . 41 P HB3 . 52606 1 334 . 1 . 1 41 41 PRO HG2 H 1 1.947 0 . 5 . . . . . 41 P HG . 52606 1 335 . 1 . 1 41 41 PRO HG3 H 1 1.947 0 . 5 . . . . . 41 P HG . 52606 1 336 . 1 . 1 41 41 PRO HD2 H 1 3.719 0 . 5 . . . . . 41 P HD2 . 52606 1 337 . 1 . 1 41 41 PRO HD3 H 1 3.527 0 . 5 . . . . . 41 P HD3 . 52606 1 338 . 1 . 1 41 41 PRO CA C 13 60.448 0.061 . 5 . . . . . 41 P CA . 52606 1 339 . 1 . 1 41 41 PRO CB C 13 29.339 0.059 . 5 . . . . . 41 P CB . 52606 1 340 . 1 . 1 41 41 PRO CG C 13 24.665 0.039 . 5 . . . . . 41 P CG . 52606 1 341 . 1 . 1 41 41 PRO CD C 13 47.919 0.033 . 5 . . . . . 41 P CD . 52606 1 342 . 1 . 1 42 42 SER H H 1 8.409 0.002 . 5 . . . . . 42 S HN . 52606 1 343 . 1 . 1 42 42 SER HA H 1 4.341 0.006 . 5 . . . . . 42 S HA . 52606 1 344 . 1 . 1 42 42 SER HB2 H 1 3.835 0 . 5 . . . . . 42 S HB2 . 52606 1 345 . 1 . 1 42 42 SER HB3 H 1 3.79 0 . 5 . . . . . 42 S HB3 . 52606 1 346 . 1 . 1 42 42 SER CA C 13 55.929 0.061 . 5 . . . . . 42 S CA . 52606 1 347 . 1 . 1 42 42 SER CB C 13 61.208 0.062 . 5 . . . . . 42 S CB . 52606 1 348 . 1 . 1 42 42 SER N N 15 116.42 0.005 . 5 . . . . . 42 S N . 52606 1 349 . 1 . 1 43 43 GLY H H 1 8.394 0.002 . 5 . . . . . 43 G HN . 52606 1 350 . 1 . 1 43 43 GLY HA2 H 1 3.893 0.006 . 5 . . . . . 43 G HA . 52606 1 351 . 1 . 1 43 43 GLY HA3 H 1 3.893 0.006 . 5 . . . . . 43 G HA . 52606 1 352 . 1 . 1 43 43 GLY CA C 13 42.638 0.024 . 5 . . . . . 43 G CA . 52606 1 353 . 1 . 1 43 43 GLY N N 15 110.68 0.031 . 5 . . . . . 43 G N . 52606 1 354 . 1 . 1 44 44 GLN H H 1 8.118 0.008 . 5 . . . . . 44 Q HN . 52606 1 355 . 1 . 1 44 44 GLN HA H 1 4.266 0 . 5 . . . . . 44 Q HA . 52606 1 356 . 1 . 1 44 44 GLN HB2 H 1 2.037 0 . 5 . . . . . 44 Q HB2 . 52606 1 357 . 1 . 1 44 44 GLN HB3 H 1 1.873 0.005 . 5 . . . . . 44 Q HB3 . 52606 1 358 . 1 . 1 44 44 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 44 Q HG . 52606 1 359 . 1 . 1 44 44 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 44 Q HG . 52606 1 360 . 1 . 1 44 44 GLN CA C 13 53.158 0.063 . 5 . . . . . 44 Q CA . 52606 1 361 . 1 . 1 44 44 GLN CB C 13 26.754 0.045 . 5 . . . . . 44 Q CB . 52606 1 362 . 1 . 1 44 44 GLN CG C 13 31.038 0.032 . 5 . . . . . 44 Q CG . 52606 1 363 . 1 . 1 44 44 GLN N N 15 119.735 0.036 . 5 . . . . . 44 Q N . 52606 1 364 . 1 . 1 45 45 GLN H H 1 8.405 0.002 . 5 . . . . . 45 Q HN . 52606 1 365 . 1 . 1 45 45 GLN HA H 1 4.236 0.003 . 5 . . . . . 45 Q HA . 52606 1 366 . 1 . 1 45 45 GLN HB2 H 1 2.037 0 . 5 . . . . . 45 Q HB2 . 52606 1 367 . 1 . 1 45 45 GLN HB3 H 1 1.911 0 . 5 . . . . . 45 Q HB3 . 52606 1 368 . 1 . 1 45 45 GLN HG2 H 1 2.288 0.003 . 5 . . . . . 45 Q HG . 52606 1 369 . 1 . 1 45 45 GLN HG3 H 1 2.288 0.003 . 5 . . . . . 45 Q HG . 52606 1 370 . 1 . 1 45 45 GLN CA C 13 53.323 0.054 . 5 . . . . . 45 Q CA . 52606 1 371 . 1 . 1 45 45 GLN CB C 13 26.757 0.049 . 5 . . . . . 45 Q CB . 52606 1 372 . 1 . 1 45 45 GLN CG C 13 31.064 0.024 . 5 . . . . . 45 Q CG . 52606 1 373 . 1 . 1 45 45 GLN N N 15 122.467 0.009 . 5 . . . . . 45 Q N . 52606 1 374 . 1 . 1 48 48 GLY H H 1 8.216 0.002 . 5 . . . . . 48 G HN . 52606 1 375 . 1 . 1 48 48 GLY HA2 H 1 3.852 0.005 . 5 . . . . . 48 G HA . 52606 1 376 . 1 . 1 48 48 GLY HA3 H 1 3.852 0.005 . 5 . . . . . 48 G HA . 52606 1 377 . 1 . 1 48 48 GLY CA C 13 42.529 0.047 . 5 . . . . . 48 G CA . 52606 1 378 . 1 . 1 48 48 GLY N N 15 108.449 0.012 . 5 . . . . . 48 G N . 52606 1 379 . 1 . 1 49 49 HIS H H 1 8.258 0.004 . 5 . . . . . 49 H HN . 52606 1 380 . 1 . 1 49 49 HIS HA H 1 4.554 0.003 . 5 . . . . . 49 H HA . 52606 1 381 . 1 . 1 49 49 HIS HB2 H 1 3.086 0 . 5 . . . . . 49 H HB2 . 52606 1 382 . 1 . 1 49 49 HIS HB3 H 1 3.006 0 . 5 . . . . . 49 H HB3 . 52606 1 383 . 1 . 1 49 49 HIS CA C 13 53.345 0.037 . 5 . . . . . 49 H CA . 52606 1 384 . 1 . 1 49 49 HIS CB C 13 27.409 0.063 . 5 . . . . . 49 H CB . 52606 1 385 . 1 . 1 49 49 HIS N N 15 118.953 0.025 . 5 . . . . . 49 H N . 52606 1 386 . 1 . 1 50 50 GLN H H 1 8.392 0.003 . 5 . . . . . 50 Q HN . 52606 1 387 . 1 . 1 50 50 GLN HA H 1 4.234 0.002 . 5 . . . . . 50 Q HA . 52606 1 388 . 1 . 1 50 50 GLN HB2 H 1 2.037 0 . 5 . . . . . 50 Q HB2 . 52606 1 389 . 1 . 1 50 50 GLN HB3 H 1 1.911 0 . 5 . . . . . 50 Q HB3 . 52606 1 390 . 1 . 1 50 50 GLN HG2 H 1 2.234 0.004 . 5 . . . . . 50 Q HG . 52606 1 391 . 1 . 1 50 50 GLN HG3 H 1 2.234 0.004 . 5 . . . . . 50 Q HG . 52606 1 392 . 1 . 1 50 50 GLN CA C 13 53.294 0.094 . 5 . . . . . 50 Q CA . 52606 1 393 . 1 . 1 50 50 GLN CB C 13 26.677 0.038 . 5 . . . . . 50 Q CB . 52606 1 394 . 1 . 1 50 50 GLN CG C 13 31.001 0.038 . 5 . . . . . 50 Q CG . 52606 1 395 . 1 . 1 50 50 GLN N N 15 121.763 0.009 . 5 . . . . . 50 Q N . 52606 1 396 . 1 . 1 51 51 GLN H H 1 8.434 0.002 . 5 . . . . . 51 Q HN . 52606 1 397 . 1 . 1 51 51 GLN HA H 1 4.237 0.005 . 5 . . . . . 51 Q HA . 52606 1 398 . 1 . 1 51 51 GLN HB2 H 1 2.037 0 . 5 . . . . . 51 Q HB2 . 52606 1 399 . 1 . 1 51 51 GLN HB3 H 1 1.911 0 . 5 . . . . . 51 Q HB3 . 52606 1 400 . 1 . 1 51 51 GLN HG2 H 1 2.288 0.001 . 5 . . . . . 51 Q HG . 52606 1 401 . 1 . 1 51 51 GLN HG3 H 1 2.288 0.001 . 5 . . . . . 51 Q HG . 52606 1 402 . 1 . 1 51 51 GLN CA C 13 53.377 0.037 . 5 . . . . . 51 Q CA . 52606 1 403 . 1 . 1 51 51 GLN CB C 13 26.709 0.01 . 5 . . . . . 51 Q CB . 52606 1 404 . 1 . 1 51 51 GLN CG C 13 31.03 0.058 . 5 . . . . . 51 Q CG . 52606 1 405 . 1 . 1 51 51 GLN N N 15 121.708 0.01 . 5 . . . . . 51 Q N . 52606 1 406 . 1 . 1 52 52 GLY H H 1 8.409 0.002 . 5 . . . . . 52 G HN . 52606 1 407 . 1 . 1 52 52 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 52 G HA . 52606 1 408 . 1 . 1 52 52 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 52 G HA . 52606 1 409 . 1 . 1 52 52 GLY CA C 13 42.611 0.031 . 5 . . . . . 52 G CA . 52606 1 410 . 1 . 1 52 52 GLY N N 15 110.225 0.007 . 5 . . . . . 52 G N . 52606 1 411 . 1 . 1 53 53 ARG H H 1 8.155 0.002 . 5 . . . . . 53 R HN . 52606 1 412 . 1 . 1 53 53 ARG HA H 1 4.26 0.006 . 5 . . . . . 53 R HA . 52606 1 413 . 1 . 1 53 53 ARG HB2 H 1 1.758 0.015 . 5 . . . . . 53 R HB2 . 52606 1 414 . 1 . 1 53 53 ARG HB3 H 1 1.647 0 . 5 . . . . . 53 R HB3 . 52606 1 415 . 1 . 1 53 53 ARG HG2 H 1 1.548 0.01 . 5 . . . . . 53 R HG2 . 52606 1 416 . 1 . 1 53 53 ARG HG3 H 1 1.504 0 . 5 . . . . . 53 R HG3 . 52606 1 417 . 1 . 1 53 53 ARG HD2 H 1 3.08 0.002 . 5 . . . . . 53 R HD . 52606 1 418 . 1 . 1 53 53 ARG HD3 H 1 3.08 0.002 . 5 . . . . . 53 R HD . 52606 1 419 . 1 . 1 53 53 ARG HE H 1 7.107 0.003 . 5 . . . . . 53 R HE . 52606 1 420 . 1 . 1 53 53 ARG CA C 13 53.283 0.045 . 5 . . . . . 53 R CA . 52606 1 421 . 1 . 1 53 53 ARG CB C 13 28.057 0.04 . 5 . . . . . 53 R CB . 52606 1 422 . 1 . 1 53 53 ARG CG C 13 24.28 0.044 . 5 . . . . . 53 R CG . 52606 1 423 . 1 . 1 53 53 ARG CD C 13 40.578 0.051 . 5 . . . . . 53 R CD . 52606 1 424 . 1 . 1 53 53 ARG N N 15 120.539 0.006 . 5 . . . . . 53 R N . 52606 1 425 . 1 . 1 53 53 ARG NE N 15 84.68 0.001 . 5 . . . . . 53 R NE . 52606 1 426 . 1 . 1 54 54 GLN H H 1 8.471 0.003 . 5 . . . . . 54 Q HN . 52606 1 427 . 1 . 1 54 54 GLN HA H 1 4.236 0.003 . 5 . . . . . 54 Q HA . 52606 1 428 . 1 . 1 54 54 GLN HB2 H 1 2.037 0 . 5 . . . . . 54 Q HB2 . 52606 1 429 . 1 . 1 54 54 GLN HB3 H 1 1.911 0 . 5 . . . . . 54 Q HB3 . 52606 1 430 . 1 . 1 54 54 GLN HG2 H 1 2.286 0 . 5 . . . . . 54 Q HG . 52606 1 431 . 1 . 1 54 54 GLN HG3 H 1 2.286 0 . 5 . . . . . 54 Q HG . 52606 1 432 . 1 . 1 54 54 GLN CA C 13 53.461 0.048 . 5 . . . . . 54 Q CA . 52606 1 433 . 1 . 1 54 54 GLN CB C 13 26.631 0.064 . 5 . . . . . 54 Q CB . 52606 1 434 . 1 . 1 54 54 GLN CG C 13 31.055 0.033 . 5 . . . . . 54 Q CG . 52606 1 435 . 1 . 1 54 54 GLN N N 15 121.735 0.026 . 5 . . . . . 54 Q N . 52606 1 436 . 1 . 1 55 55 GLY H H 1 8.459 0.002 . 5 . . . . . 55 G HN . 52606 1 437 . 1 . 1 55 55 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 55 G HA . 52606 1 438 . 1 . 1 55 55 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 55 G HA . 52606 1 439 . 1 . 1 55 55 GLY CA C 13 42.66 0.024 . 5 . . . . . 55 G CA . 52606 1 440 . 1 . 1 55 55 GLY N N 15 110.52 0.012 . 5 . . . . . 55 G N . 52606 1 441 . 1 . 1 56 56 GLN H H 1 8.183 0.002 . 5 . . . . . 56 Q HN . 52606 1 442 . 1 . 1 56 56 GLN HA H 1 4.269 0.004 . 5 . . . . . 56 Q HA . 52606 1 443 . 1 . 1 56 56 GLN HB2 H 1 2.039 0.003 . 5 . . . . . 56 Q HB2 . 52606 1 444 . 1 . 1 56 56 GLN HB3 H 1 1.9 0.011 . 5 . . . . . 56 Q HB3 . 52606 1 445 . 1 . 1 56 56 GLN HG2 H 1 2.232 0.004 . 5 . . . . . 56 Q HG . 52606 1 446 . 1 . 1 56 56 GLN HG3 H 1 2.232 0.004 . 5 . . . . . 56 Q HG . 52606 1 447 . 1 . 1 56 56 GLN CA C 13 53.103 0.061 . 5 . . . . . 56 Q CA . 52606 1 448 . 1 . 1 56 56 GLN CB C 13 26.72 0.018 . 5 . . . . . 56 Q CB . 52606 1 449 . 1 . 1 56 56 GLN CG C 13 31.001 0.038 . 5 . . . . . 56 Q CG . 52606 1 450 . 1 . 1 56 56 GLN N N 15 119.741 0.012 . 5 . . . . . 56 Q N . 52606 1 451 . 1 . 1 57 57 GLU H H 1 8.57 0.002 . 5 . . . . . 57 E HN . 52606 1 452 . 1 . 1 57 57 GLU HA H 1 4.197 0 . 5 . . . . . 57 E HA . 52606 1 453 . 1 . 1 57 57 GLU HB2 H 1 1.991 0 . 5 . . . . . 57 E HB2 . 52606 1 454 . 1 . 1 57 57 GLU HB3 H 1 1.89 0 . 5 . . . . . 57 E HB3 . 52606 1 455 . 1 . 1 57 57 GLU HG2 H 1 2.202 0.001 . 5 . . . . . 57 E HG . 52606 1 456 . 1 . 1 57 57 GLU HG3 H 1 2.202 0.001 . 5 . . . . . 57 E HG . 52606 1 457 . 1 . 1 57 57 GLU CA C 13 54.322 0.049 . 5 . . . . . 57 E CA . 52606 1 458 . 1 . 1 57 57 GLU CB C 13 27.296 0.035 . 5 . . . . . 57 E CB . 52606 1 459 . 1 . 1 57 57 GLU CG C 13 33.492 0.049 . 5 . . . . . 57 E CG . 52606 1 460 . 1 . 1 57 57 GLU N N 15 122.255 0.01 . 5 . . . . . 57 E N . 52606 1 461 . 1 . 1 58 58 GLY H H 1 8.374 0.002 . 5 . . . . . 58 G HN . 52606 1 462 . 1 . 1 58 58 GLY HA2 H 1 3.877 0.011 . 5 . . . . . 58 G HA . 52606 1 463 . 1 . 1 58 58 GLY HA3 H 1 3.877 0.011 . 5 . . . . . 58 G HA . 52606 1 464 . 1 . 1 58 58 GLY CA C 13 42.669 0.033 . 5 . . . . . 58 G CA . 52606 1 465 . 1 . 1 58 58 GLY N N 15 109.901 0.023 . 5 . . . . . 58 G N . 52606 1 466 . 1 . 1 59 59 GLY H H 1 8.137 0.002 . 5 . . . . . 59 G HN . 52606 1 467 . 1 . 1 59 59 GLY HA2 H 1 3.84 0 . 5 . . . . . 59 G HA . 52606 1 468 . 1 . 1 59 59 GLY HA3 H 1 3.84 0 . 5 . . . . . 59 G HA . 52606 1 469 . 1 . 1 59 59 GLY CA C 13 42.51 0.05 . 5 . . . . . 59 G CA . 52606 1 470 . 1 . 1 59 59 GLY N N 15 108.432 0.012 . 5 . . . . . 59 G N . 52606 1 471 . 1 . 1 60 60 TYR H H 1 8.009 0.002 . 5 . . . . . 60 Y HN . 52606 1 472 . 1 . 1 60 60 TYR HA H 1 4.431 0.002 . 5 . . . . . 60 Y HA . 52606 1 473 . 1 . 1 60 60 TYR HB2 H 1 2.919 0 . 5 . . . . . 60 Y HB2 . 52606 1 474 . 1 . 1 60 60 TYR HB3 H 1 2.876 0 . 5 . . . . . 60 Y HB3 . 52606 1 475 . 1 . 1 60 60 TYR CA C 13 55.417 0.015 . 5 . . . . . 60 Y CA . 52606 1 476 . 1 . 1 60 60 TYR CB C 13 35.953 0.042 . 5 . . . . . 60 Y CB . 52606 1 477 . 1 . 1 60 60 TYR N N 15 120.077 0.008 . 5 . . . . . 60 Y N . 52606 1 478 . 1 . 1 61 61 GLN H H 1 8.184 0.002 . 5 . . . . . 61 Q HN . 52606 1 479 . 1 . 1 61 61 GLN HA H 1 4.162 0.002 . 5 . . . . . 61 Q HA . 52606 1 480 . 1 . 1 61 61 GLN HB2 H 1 1.933 0 . 5 . . . . . 61 Q HB2 . 52606 1 481 . 1 . 1 61 61 GLN HB3 H 1 1.802 0 . 5 . . . . . 61 Q HB3 . 52606 1 482 . 1 . 1 61 61 GLN HG2 H 1 2.175 0 . 5 . . . . . 61 Q HG . 52606 1 483 . 1 . 1 61 61 GLN HG3 H 1 2.175 0 . 5 . . . . . 61 Q HG . 52606 1 484 . 1 . 1 61 61 GLN CA C 13 52.944 0.059 . 5 . . . . . 61 Q CA . 52606 1 485 . 1 . 1 61 61 GLN CB C 13 26.785 0.007 . 5 . . . . . 61 Q CB . 52606 1 486 . 1 . 1 61 61 GLN CG C 13 30.97 0.042 . 5 . . . . . 61 Q CG . 52606 1 487 . 1 . 1 61 61 GLN N N 15 122.378 0.01 . 5 . . . . . 61 Q N . 52606 1 488 . 1 . 1 62 62 GLN H H 1 8.233 0.002 . 5 . . . . . 62 Q HN . 52606 1 489 . 1 . 1 62 62 GLN HA H 1 4.167 0 . 5 . . . . . 62 Q HA . 52606 1 490 . 1 . 1 62 62 GLN HB2 H 1 1.993 0 . 5 . . . . . 62 Q HB2 . 52606 1 491 . 1 . 1 62 62 GLN HB3 H 1 1.878 0 . 5 . . . . . 62 Q HB3 . 52606 1 492 . 1 . 1 62 62 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 62 Q HG . 52606 1 493 . 1 . 1 62 62 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 62 Q HG . 52606 1 494 . 1 . 1 62 62 GLN CA C 13 53.118 0.02 . 5 . . . . . 62 Q CA . 52606 1 495 . 1 . 1 62 62 GLN CB C 13 26.686 0.043 . 5 . . . . . 62 Q CB . 52606 1 496 . 1 . 1 62 62 GLN CG C 13 31.032 0.052 . 5 . . . . . 62 Q CG . 52606 1 497 . 1 . 1 62 62 GLN N N 15 121.707 0.006 . 5 . . . . . 62 Q N . 52606 1 498 . 1 . 1 63 63 ARG H H 1 8.321 0.002 . 5 . . . . . 63 R HN . 52606 1 499 . 1 . 1 63 63 ARG HA H 1 4.524 0 . 5 . . . . . 63 R HA . 52606 1 500 . 1 . 1 63 63 ARG HB2 H 1 1.736 0 . 5 . . . . . 63 R HB2 . 52606 1 501 . 1 . 1 63 63 ARG HB3 H 1 1.629 0 . 5 . . . . . 63 R HB3 . 52606 1 502 . 1 . 1 63 63 ARG HG2 H 1 1.538 0 . 5 . . . . . 63 R HG2 . 52606 1 503 . 1 . 1 63 63 ARG HG3 H 1 1.574 0 . 5 . . . . . 63 R HG3 . 52606 1 504 . 1 . 1 63 63 ARG HD2 H 1 3.109 0 . 5 . . . . . 63 R HD . 52606 1 505 . 1 . 1 63 63 ARG HD3 H 1 3.109 0 . 5 . . . . . 63 R HD . 52606 1 506 . 1 . 1 63 63 ARG HE H 1 7.107 0.003 . 5 . . . . . 63 R HE . 52606 1 507 . 1 . 1 63 63 ARG CA C 13 51.254 0.016 . 5 . . . . . 63 R CA . 52606 1 508 . 1 . 1 63 63 ARG CB C 13 27.505 0.016 . 5 . . . . . 63 R CB . 52606 1 509 . 1 . 1 63 63 ARG CG C 13 24.143 0 . 5 . . . . . 63 R CG . 52606 1 510 . 1 . 1 63 63 ARG CD C 13 40.674 0 . 5 . . . . . 63 R CD . 52606 1 511 . 1 . 1 63 63 ARG N N 15 123.656 0.006 . 5 . . . . . 63 R N . 52606 1 512 . 1 . 1 63 63 ARG NE N 15 84.68 0.001 . 5 . . . . . 63 R NE . 52606 1 513 . 1 . 1 64 64 PRO HA H 1 4.6 0 . 5 . . . . . 64 P HA . 52606 1 514 . 1 . 1 64 64 PRO HB2 H 1 2.274 0 . 5 . . . . . 64 P HB2 . 52606 1 515 . 1 . 1 64 64 PRO HB3 H 1 1.772 0 . 5 . . . . . 64 P HB3 . 52606 1 516 . 1 . 1 64 64 PRO HG2 H 1 1.935 0 . 5 . . . . . 64 P HG . 52606 1 517 . 1 . 1 64 64 PRO HG3 H 1 1.935 0 . 5 . . . . . 64 P HG . 52606 1 518 . 1 . 1 64 64 PRO HD2 H 1 3.726 0 . 5 . . . . . 64 P HD2 . 52606 1 519 . 1 . 1 64 64 PRO HD3 H 1 3.471 0 . 5 . . . . . 64 P HD3 . 52606 1 520 . 1 . 1 64 64 PRO CA C 13 58.796 0 . 5 . . . . . 64 P CA . 52606 1 521 . 1 . 1 64 64 PRO CB C 13 28.111 0.024 . 5 . . . . . 64 P CB . 52606 1 522 . 1 . 1 64 64 PRO CG C 13 24.716 0 . 5 . . . . . 64 P CG . 52606 1 523 . 1 . 1 64 64 PRO CD C 13 47.883 0.007 . 5 . . . . . 64 P CD . 52606 1 524 . 1 . 1 65 65 PRO HA H 1 4.324 0.002 . 5 . . . . . 65 P HA . 52606 1 525 . 1 . 1 65 65 PRO HB2 H 1 2.21 0.008 . 5 . . . . . 65 P HB2 . 52606 1 526 . 1 . 1 65 65 PRO HB3 H 1 1.885 0.016 . 5 . . . . . 65 P HB3 . 52606 1 527 . 1 . 1 65 65 PRO HG2 H 1 1.91 0.01 . 5 . . . . . 65 P HG . 52606 1 528 . 1 . 1 65 65 PRO HG3 H 1 1.91 0.01 . 5 . . . . . 65 P HG . 52606 1 529 . 1 . 1 65 65 PRO HD2 H 1 3.553 0.014 . 5 . . . . . 65 P HD . 52606 1 530 . 1 . 1 65 65 PRO HD3 H 1 3.553 0.014 . 5 . . . . . 65 P HD . 52606 1 531 . 1 . 1 65 65 PRO CA C 13 60.618 0.061 . 5 . . . . . 65 P CA . 52606 1 532 . 1 . 1 65 65 PRO CB C 13 29.269 0.077 . 5 . . . . . 65 P CB . 52606 1 533 . 1 . 1 65 65 PRO CG C 13 24.649 0.094 . 5 . . . . . 65 P CG . 52606 1 534 . 1 . 1 65 65 PRO CD C 13 47.739 0.05 . 5 . . . . . 65 P CD . 52606 1 535 . 1 . 1 66 66 GLY H H 1 8.385 0.002 . 5 . . . . . 66 G HN . 52606 1 536 . 1 . 1 66 66 GLY HA2 H 1 3.869 0.003 . 5 . . . . . 66 G HA . 52606 1 537 . 1 . 1 66 66 GLY HA3 H 1 3.869 0.003 . 5 . . . . . 66 G HA . 52606 1 538 . 1 . 1 66 66 GLY CA C 13 42.581 0.036 . 5 . . . . . 66 G CA . 52606 1 539 . 1 . 1 66 66 GLY N N 15 108.718 0.007 . 5 . . . . . 66 G N . 52606 1 540 . 1 . 1 67 67 GLN H H 1 8.104 0.004 . 5 . . . . . 67 Q HN . 52606 1 541 . 1 . 1 67 67 GLN HA H 1 4.266 0 . 5 . . . . . 67 Q HA . 52606 1 542 . 1 . 1 67 67 GLN HB2 H 1 2.037 0 . 5 . . . . . 67 Q HB2 . 52606 1 543 . 1 . 1 67 67 GLN HB3 H 1 1.873 0.005 . 5 . . . . . 67 Q HB3 . 52606 1 544 . 1 . 1 67 67 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 67 Q HG . 52606 1 545 . 1 . 1 67 67 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 67 Q HG . 52606 1 546 . 1 . 1 67 67 GLN CA C 13 53.158 0.063 . 5 . . . . . 67 Q CA . 52606 1 547 . 1 . 1 67 67 GLN CB C 13 26.754 0.045 . 5 . . . . . 67 Q CB . 52606 1 548 . 1 . 1 67 67 GLN CG C 13 31.03 0.025 . 5 . . . . . 67 Q CG . 52606 1 549 . 1 . 1 67 67 GLN N N 15 119.679 0.004 . 5 . . . . . 67 Q N . 52606 1 550 . 1 . 1 68 68 GLN H H 1 8.405 0.002 . 5 . . . . . 68 Q HN . 52606 1 551 . 1 . 1 68 68 GLN HA H 1 4.236 0.003 . 5 . . . . . 68 Q HA . 52606 1 552 . 1 . 1 68 68 GLN HB2 H 1 2.037 0 . 5 . . . . . 68 Q HB2 . 52606 1 553 . 1 . 1 68 68 GLN HB3 H 1 1.911 0 . 5 . . . . . 68 Q HB3 . 52606 1 554 . 1 . 1 68 68 GLN HG2 H 1 2.288 0.003 . 5 . . . . . 68 Q HG . 52606 1 555 . 1 . 1 68 68 GLN HG3 H 1 2.288 0.003 . 5 . . . . . 68 Q HG . 52606 1 556 . 1 . 1 68 68 GLN CA C 13 53.323 0.054 . 5 . . . . . 68 Q CA . 52606 1 557 . 1 . 1 68 68 GLN CB C 13 26.757 0.049 . 5 . . . . . 68 Q CB . 52606 1 558 . 1 . 1 68 68 GLN CG C 13 31.064 0.024 . 5 . . . . . 68 Q CG . 52606 1 559 . 1 . 1 68 68 GLN N N 15 122.467 0.009 . 5 . . . . . 68 Q N . 52606 1 560 . 1 . 1 71 71 GLY H H 1 8.216 0.002 . 5 . . . . . 71 G HN . 52606 1 561 . 1 . 1 71 71 GLY HA2 H 1 3.852 0.005 . 5 . . . . . 71 G HA . 52606 1 562 . 1 . 1 71 71 GLY HA3 H 1 3.852 0.005 . 5 . . . . . 71 G HA . 52606 1 563 . 1 . 1 71 71 GLY CA C 13 42.529 0.047 . 5 . . . . . 71 G CA . 52606 1 564 . 1 . 1 71 71 GLY N N 15 108.449 0.012 . 5 . . . . . 71 G N . 52606 1 565 . 1 . 1 72 72 HIS H H 1 8.258 0.004 . 5 . . . . . 72 H HN . 52606 1 566 . 1 . 1 72 72 HIS HA H 1 4.554 0.003 . 5 . . . . . 72 H HA . 52606 1 567 . 1 . 1 72 72 HIS HB2 H 1 3.086 0 . 5 . . . . . 72 H HB2 . 52606 1 568 . 1 . 1 72 72 HIS HB3 H 1 3.006 0 . 5 . . . . . 72 H HB3 . 52606 1 569 . 1 . 1 72 72 HIS CA C 13 53.345 0.037 . 5 . . . . . 72 H CA . 52606 1 570 . 1 . 1 72 72 HIS CB C 13 27.409 0.063 . 5 . . . . . 72 H CB . 52606 1 571 . 1 . 1 72 72 HIS N N 15 118.953 0.025 . 5 . . . . . 72 H N . 52606 1 572 . 1 . 1 73 73 GLN H H 1 8.392 0.003 . 5 . . . . . 73 Q HN . 52606 1 573 . 1 . 1 73 73 GLN HA H 1 4.234 0.002 . 5 . . . . . 73 Q HA . 52606 1 574 . 1 . 1 73 73 GLN HB2 H 1 2.037 0 . 5 . . . . . 73 Q HB2 . 52606 1 575 . 1 . 1 73 73 GLN HB3 H 1 1.911 0 . 5 . . . . . 73 Q HB3 . 52606 1 576 . 1 . 1 73 73 GLN HG2 H 1 2.234 0.004 . 5 . . . . . 73 Q HG . 52606 1 577 . 1 . 1 73 73 GLN HG3 H 1 2.234 0.004 . 5 . . . . . 73 Q HG . 52606 1 578 . 1 . 1 73 73 GLN CA C 13 53.294 0.094 . 5 . . . . . 73 Q CA . 52606 1 579 . 1 . 1 73 73 GLN CB C 13 26.677 0.038 . 5 . . . . . 73 Q CB . 52606 1 580 . 1 . 1 73 73 GLN CG C 13 31.001 0.038 . 5 . . . . . 73 Q CG . 52606 1 581 . 1 . 1 73 73 GLN N N 15 121.763 0.009 . 5 . . . . . 73 Q N . 52606 1 582 . 1 . 1 74 74 GLN H H 1 8.434 0.002 . 5 . . . . . 74 Q HN . 52606 1 583 . 1 . 1 74 74 GLN HA H 1 4.237 0.005 . 5 . . . . . 74 Q HA . 52606 1 584 . 1 . 1 74 74 GLN HB2 H 1 2.037 0 . 5 . . . . . 74 Q HB2 . 52606 1 585 . 1 . 1 74 74 GLN HB3 H 1 1.911 0 . 5 . . . . . 74 Q HB3 . 52606 1 586 . 1 . 1 74 74 GLN HG2 H 1 2.288 0.001 . 5 . . . . . 74 Q HG . 52606 1 587 . 1 . 1 74 74 GLN HG3 H 1 2.288 0.001 . 5 . . . . . 74 Q HG . 52606 1 588 . 1 . 1 74 74 GLN CA C 13 53.377 0.037 . 5 . . . . . 74 Q CA . 52606 1 589 . 1 . 1 74 74 GLN CB C 13 26.709 0.01 . 5 . . . . . 74 Q CB . 52606 1 590 . 1 . 1 74 74 GLN CG C 13 31.03 0.058 . 5 . . . . . 74 Q CG . 52606 1 591 . 1 . 1 74 74 GLN N N 15 121.708 0.01 . 5 . . . . . 74 Q N . 52606 1 592 . 1 . 1 75 75 GLY H H 1 8.409 0.002 . 5 . . . . . 75 G HN . 52606 1 593 . 1 . 1 75 75 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 75 G HA . 52606 1 594 . 1 . 1 75 75 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 75 G HA . 52606 1 595 . 1 . 1 75 75 GLY CA C 13 42.611 0.031 . 5 . . . . . 75 G CA . 52606 1 596 . 1 . 1 75 75 GLY N N 15 110.225 0.007 . 5 . . . . . 75 G N . 52606 1 597 . 1 . 1 76 76 ARG H H 1 8.155 0.002 . 5 . . . . . 76 R HN . 52606 1 598 . 1 . 1 76 76 ARG HA H 1 4.26 0.006 . 5 . . . . . 76 R HA . 52606 1 599 . 1 . 1 76 76 ARG HB2 H 1 1.758 0.015 . 5 . . . . . 76 R HB2 . 52606 1 600 . 1 . 1 76 76 ARG HB3 H 1 1.647 0 . 5 . . . . . 76 R HB3 . 52606 1 601 . 1 . 1 76 76 ARG HG2 H 1 1.548 0.01 . 5 . . . . . 76 R HG2 . 52606 1 602 . 1 . 1 76 76 ARG HG3 H 1 1.504 0 . 5 . . . . . 76 R HG3 . 52606 1 603 . 1 . 1 76 76 ARG HD2 H 1 3.08 0.002 . 5 . . . . . 76 R HD . 52606 1 604 . 1 . 1 76 76 ARG HD3 H 1 3.08 0.002 . 5 . . . . . 76 R HD . 52606 1 605 . 1 . 1 76 76 ARG HE H 1 7.107 0.003 . 5 . . . . . 76 R HE . 52606 1 606 . 1 . 1 76 76 ARG CA C 13 53.283 0.045 . 5 . . . . . 76 R CA . 52606 1 607 . 1 . 1 76 76 ARG CB C 13 28.057 0.04 . 5 . . . . . 76 R CB . 52606 1 608 . 1 . 1 76 76 ARG CG C 13 24.28 0.044 . 5 . . . . . 76 R CG . 52606 1 609 . 1 . 1 76 76 ARG CD C 13 40.578 0.051 . 5 . . . . . 76 R CD . 52606 1 610 . 1 . 1 76 76 ARG N N 15 120.539 0.006 . 5 . . . . . 76 R N . 52606 1 611 . 1 . 1 76 76 ARG NE N 15 84.68 0.001 . 5 . . . . . 76 R NE . 52606 1 612 . 1 . 1 77 77 GLN H H 1 8.471 0.003 . 5 . . . . . 77 Q HN . 52606 1 613 . 1 . 1 77 77 GLN HA H 1 4.236 0.003 . 5 . . . . . 77 Q HA . 52606 1 614 . 1 . 1 77 77 GLN HB2 H 1 2.037 0 . 5 . . . . . 77 Q HB2 . 52606 1 615 . 1 . 1 77 77 GLN HB3 H 1 1.911 0 . 5 . . . . . 77 Q HB3 . 52606 1 616 . 1 . 1 77 77 GLN HG2 H 1 2.286 0 . 5 . . . . . 77 Q HG . 52606 1 617 . 1 . 1 77 77 GLN HG3 H 1 2.286 0 . 5 . . . . . 77 Q HG . 52606 1 618 . 1 . 1 77 77 GLN CA C 13 53.461 0.048 . 5 . . . . . 77 Q CA . 52606 1 619 . 1 . 1 77 77 GLN CB C 13 26.631 0.064 . 5 . . . . . 77 Q CB . 52606 1 620 . 1 . 1 77 77 GLN CG C 13 31.055 0.033 . 5 . . . . . 77 Q CG . 52606 1 621 . 1 . 1 77 77 GLN N N 15 121.735 0.026 . 5 . . . . . 77 Q N . 52606 1 622 . 1 . 1 78 78 GLY H H 1 8.459 0.002 . 5 . . . . . 78 G HN . 52606 1 623 . 1 . 1 78 78 GLY HA2 H 1 3.885 0.001 . 5 . . . . . 78 G HA . 52606 1 624 . 1 . 1 78 78 GLY HA3 H 1 3.885 0.001 . 5 . . . . . 78 G HA . 52606 1 625 . 1 . 1 78 78 GLY CA C 13 42.66 0.024 . 5 . . . . . 78 G CA . 52606 1 626 . 1 . 1 78 78 GLY N N 15 110.52 0.012 . 5 . . . . . 78 G N . 52606 1 627 . 1 . 1 79 79 GLN H H 1 8.183 0.002 . 5 . . . . . 79 Q HN . 52606 1 628 . 1 . 1 79 79 GLN HA H 1 4.269 0.004 . 5 . . . . . 79 Q HA . 52606 1 629 . 1 . 1 79 79 GLN HB2 H 1 2.039 0.003 . 5 . . . . . 79 Q HB2 . 52606 1 630 . 1 . 1 79 79 GLN HB3 H 1 1.9 0.011 . 5 . . . . . 79 Q HB3 . 52606 1 631 . 1 . 1 79 79 GLN HG2 H 1 2.232 0.004 . 5 . . . . . 79 Q HG . 52606 1 632 . 1 . 1 79 79 GLN HG3 H 1 2.232 0.004 . 5 . . . . . 79 Q HG . 52606 1 633 . 1 . 1 79 79 GLN CA C 13 53.103 0.061 . 5 . . . . . 79 Q CA . 52606 1 634 . 1 . 1 79 79 GLN CB C 13 26.72 0.018 . 5 . . . . . 79 Q CB . 52606 1 635 . 1 . 1 79 79 GLN CG C 13 31.001 0.038 . 5 . . . . . 79 Q CG . 52606 1 636 . 1 . 1 79 79 GLN N N 15 119.741 0.012 . 5 . . . . . 79 Q N . 52606 1 637 . 1 . 1 80 80 GLU H H 1 8.57 0.002 . 5 . . . . . 80 E HN . 52606 1 638 . 1 . 1 80 80 GLU HA H 1 4.197 0 . 5 . . . . . 80 E HA . 52606 1 639 . 1 . 1 80 80 GLU HB2 H 1 1.991 0 . 5 . . . . . 80 E HB2 . 52606 1 640 . 1 . 1 80 80 GLU HB3 H 1 1.89 0 . 5 . . . . . 80 E HB3 . 52606 1 641 . 1 . 1 80 80 GLU HG2 H 1 2.202 0.001 . 5 . . . . . 80 E HG . 52606 1 642 . 1 . 1 80 80 GLU HG3 H 1 2.202 0.001 . 5 . . . . . 80 E HG . 52606 1 643 . 1 . 1 80 80 GLU CA C 13 54.322 0.049 . 5 . . . . . 80 E CA . 52606 1 644 . 1 . 1 80 80 GLU CB C 13 27.296 0.035 . 5 . . . . . 80 E CB . 52606 1 645 . 1 . 1 80 80 GLU CG C 13 33.492 0.049 . 5 . . . . . 80 E CG . 52606 1 646 . 1 . 1 80 80 GLU N N 15 122.255 0.01 . 5 . . . . . 80 E N . 52606 1 647 . 1 . 1 81 81 GLY H H 1 8.374 0.002 . 5 . . . . . 81 G HN . 52606 1 648 . 1 . 1 81 81 GLY HA2 H 1 3.877 0.011 . 5 . . . . . 81 G HA . 52606 1 649 . 1 . 1 81 81 GLY HA3 H 1 3.877 0.011 . 5 . . . . . 81 G HA . 52606 1 650 . 1 . 1 81 81 GLY CA C 13 42.669 0.033 . 5 . . . . . 81 G CA . 52606 1 651 . 1 . 1 81 81 GLY N N 15 109.901 0.023 . 5 . . . . . 81 G N . 52606 1 652 . 1 . 1 82 82 GLY H H 1 8.137 0.002 . 5 . . . . . 82 G HN . 52606 1 653 . 1 . 1 82 82 GLY HA2 H 1 3.84 0 . 5 . . . . . 82 G HA . 52606 1 654 . 1 . 1 82 82 GLY HA3 H 1 3.84 0 . 5 . . . . . 82 G HA . 52606 1 655 . 1 . 1 82 82 GLY CA C 13 42.51 0.05 . 5 . . . . . 82 G CA . 52606 1 656 . 1 . 1 82 82 GLY N N 15 108.432 0.012 . 5 . . . . . 82 G N . 52606 1 657 . 1 . 1 83 83 TYR H H 1 8.009 0.002 . 5 . . . . . 83 Y HN . 52606 1 658 . 1 . 1 83 83 TYR HA H 1 4.431 0.002 . 5 . . . . . 83 Y HA . 52606 1 659 . 1 . 1 83 83 TYR HB2 H 1 2.919 0 . 5 . . . . . 83 Y HB2 . 52606 1 660 . 1 . 1 83 83 TYR HB3 H 1 2.876 0 . 5 . . . . . 83 Y HB3 . 52606 1 661 . 1 . 1 83 83 TYR CA C 13 55.417 0.015 . 5 . . . . . 83 Y CA . 52606 1 662 . 1 . 1 83 83 TYR CB C 13 35.953 0.042 . 5 . . . . . 83 Y CB . 52606 1 663 . 1 . 1 83 83 TYR N N 15 120.077 0.008 . 5 . . . . . 83 Y N . 52606 1 664 . 1 . 1 84 84 GLN H H 1 8.184 0.002 . 5 . . . . . 84 Q HN . 52606 1 665 . 1 . 1 84 84 GLN HA H 1 4.162 0.002 . 5 . . . . . 84 Q HA . 52606 1 666 . 1 . 1 84 84 GLN HB2 H 1 1.933 0 . 5 . . . . . 84 Q HB2 . 52606 1 667 . 1 . 1 84 84 GLN HB3 H 1 1.802 0 . 5 . . . . . 84 Q HB3 . 52606 1 668 . 1 . 1 84 84 GLN HG2 H 1 2.175 0 . 5 . . . . . 84 Q HG . 52606 1 669 . 1 . 1 84 84 GLN HG3 H 1 2.175 0 . 5 . . . . . 84 Q HG . 52606 1 670 . 1 . 1 84 84 GLN CA C 13 52.944 0.059 . 5 . . . . . 84 Q CA . 52606 1 671 . 1 . 1 84 84 GLN CB C 13 26.785 0.007 . 5 . . . . . 84 Q CB . 52606 1 672 . 1 . 1 84 84 GLN CG C 13 30.97 0.042 . 5 . . . . . 84 Q CG . 52606 1 673 . 1 . 1 84 84 GLN N N 15 122.378 0.01 . 5 . . . . . 84 Q N . 52606 1 674 . 1 . 1 85 85 GLN H H 1 8.233 0.002 . 5 . . . . . 85 Q HN . 52606 1 675 . 1 . 1 85 85 GLN HA H 1 4.167 0 . 5 . . . . . 85 Q HA . 52606 1 676 . 1 . 1 85 85 GLN HB2 H 1 1.993 0 . 5 . . . . . 85 Q HB2 . 52606 1 677 . 1 . 1 85 85 GLN HB3 H 1 1.878 0 . 5 . . . . . 85 Q HB3 . 52606 1 678 . 1 . 1 85 85 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 85 Q HG . 52606 1 679 . 1 . 1 85 85 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 85 Q HG . 52606 1 680 . 1 . 1 85 85 GLN CA C 13 53.118 0.02 . 5 . . . . . 85 Q CA . 52606 1 681 . 1 . 1 85 85 GLN CB C 13 26.686 0.043 . 5 . . . . . 85 Q CB . 52606 1 682 . 1 . 1 85 85 GLN CG C 13 31.032 0.052 . 5 . . . . . 85 Q CG . 52606 1 683 . 1 . 1 85 85 GLN N N 15 121.707 0.006 . 5 . . . . . 85 Q N . 52606 1 684 . 1 . 1 86 86 ARG H H 1 8.321 0.002 . 5 . . . . . 86 R HN . 52606 1 685 . 1 . 1 86 86 ARG HA H 1 4.524 0 . 5 . . . . . 86 R HA . 52606 1 686 . 1 . 1 86 86 ARG HB2 H 1 1.736 0 . 5 . . . . . 86 R HB2 . 52606 1 687 . 1 . 1 86 86 ARG HB3 H 1 1.629 0 . 5 . . . . . 86 R HB3 . 52606 1 688 . 1 . 1 86 86 ARG HG2 H 1 1.538 0 . 5 . . . . . 86 R HG2 . 52606 1 689 . 1 . 1 86 86 ARG HG3 H 1 1.574 0 . 5 . . . . . 86 R HG3 . 52606 1 690 . 1 . 1 86 86 ARG HD2 H 1 3.109 0 . 5 . . . . . 86 R HD . 52606 1 691 . 1 . 1 86 86 ARG HD3 H 1 3.109 0 . 5 . . . . . 86 R HD . 52606 1 692 . 1 . 1 86 86 ARG HE H 1 7.107 0.003 . 5 . . . . . 86 R HE . 52606 1 693 . 1 . 1 86 86 ARG CA C 13 51.254 0.016 . 5 . . . . . 86 R CA . 52606 1 694 . 1 . 1 86 86 ARG CB C 13 27.505 0.016 . 5 . . . . . 86 R CB . 52606 1 695 . 1 . 1 86 86 ARG CG C 13 24.143 0 . 5 . . . . . 86 R CG . 52606 1 696 . 1 . 1 86 86 ARG CD C 13 40.674 0 . 5 . . . . . 86 R CD . 52606 1 697 . 1 . 1 86 86 ARG N N 15 123.656 0.006 . 5 . . . . . 86 R N . 52606 1 698 . 1 . 1 86 86 ARG NE N 15 84.68 0.001 . 5 . . . . . 86 R NE . 52606 1 699 . 1 . 1 87 87 PRO HA H 1 4.371 0 . 5 . . . . . 87 P HA . 52606 1 700 . 1 . 1 87 87 PRO HB2 H 1 2.225 0.003 . 5 . . . . . 87 P HB2 . 52606 1 701 . 1 . 1 87 87 PRO HB3 H 1 1.857 0.011 . 5 . . . . . 87 P HB3 . 52606 1 702 . 1 . 1 87 87 PRO HG2 H 1 1.947 0 . 5 . . . . . 87 P HG . 52606 1 703 . 1 . 1 87 87 PRO HG3 H 1 1.947 0 . 5 . . . . . 87 P HG . 52606 1 704 . 1 . 1 87 87 PRO HD2 H 1 3.719 0 . 5 . . . . . 87 P HD2 . 52606 1 705 . 1 . 1 87 87 PRO HD3 H 1 3.527 0 . 5 . . . . . 87 P HD3 . 52606 1 706 . 1 . 1 87 87 PRO CA C 13 60.448 0.061 . 5 . . . . . 87 P CA . 52606 1 707 . 1 . 1 87 87 PRO CB C 13 29.339 0.059 . 5 . . . . . 87 P CB . 52606 1 708 . 1 . 1 87 87 PRO CG C 13 24.665 0.039 . 5 . . . . . 87 P CG . 52606 1 709 . 1 . 1 87 87 PRO CD C 13 47.919 0.033 . 5 . . . . . 87 P CD . 52606 1 710 . 1 . 1 88 88 SER H H 1 8.409 0.002 . 5 . . . . . 88 S HN . 52606 1 711 . 1 . 1 88 88 SER HA H 1 4.341 0.006 . 5 . . . . . 88 S HA . 52606 1 712 . 1 . 1 88 88 SER HB2 H 1 3.835 0 . 5 . . . . . 88 S HB2 . 52606 1 713 . 1 . 1 88 88 SER HB3 H 1 3.79 0 . 5 . . . . . 88 S HB3 . 52606 1 714 . 1 . 1 88 88 SER CA C 13 55.929 0.061 . 5 . . . . . 88 S CA . 52606 1 715 . 1 . 1 88 88 SER CB C 13 61.208 0.062 . 5 . . . . . 88 S CB . 52606 1 716 . 1 . 1 88 88 SER N N 15 116.42 0.005 . 5 . . . . . 88 S N . 52606 1 717 . 1 . 1 89 89 GLY H H 1 8.394 0.002 . 5 . . . . . 89 G HN . 52606 1 718 . 1 . 1 89 89 GLY HA2 H 1 3.893 0.006 . 5 . . . . . 89 G HA . 52606 1 719 . 1 . 1 89 89 GLY HA3 H 1 3.893 0.006 . 5 . . . . . 89 G HA . 52606 1 720 . 1 . 1 89 89 GLY CA C 13 42.638 0.024 . 5 . . . . . 89 G CA . 52606 1 721 . 1 . 1 89 89 GLY N N 15 110.68 0.031 . 5 . . . . . 89 G N . 52606 1 722 . 1 . 1 90 90 GLN H H 1 8.118 0.008 . 5 . . . . . 90 Q HN . 52606 1 723 . 1 . 1 90 90 GLN HA H 1 4.266 0 . 5 . . . . . 90 Q HA . 52606 1 724 . 1 . 1 90 90 GLN HB2 H 1 2.037 0 . 5 . . . . . 90 Q HB2 . 52606 1 725 . 1 . 1 90 90 GLN HB3 H 1 1.873 0.005 . 5 . . . . . 90 Q HB3 . 52606 1 726 . 1 . 1 90 90 GLN HG2 H 1 2.264 0.001 . 5 . . . . . 90 Q HG . 52606 1 727 . 1 . 1 90 90 GLN HG3 H 1 2.264 0.001 . 5 . . . . . 90 Q HG . 52606 1 728 . 1 . 1 90 90 GLN CA C 13 53.158 0.063 . 5 . . . . . 90 Q CA . 52606 1 729 . 1 . 1 90 90 GLN CB C 13 26.754 0.045 . 5 . . . . . 90 Q CB . 52606 1 730 . 1 . 1 90 90 GLN CG C 13 31.038 0.032 . 5 . . . . . 90 Q CG . 52606 1 731 . 1 . 1 90 90 GLN N N 15 119.735 0.036 . 5 . . . . . 90 Q N . 52606 1 732 . 1 . 1 91 91 GLN H H 1 8.405 0.002 . 5 . . . . . 91 Q HN . 52606 1 733 . 1 . 1 91 91 GLN HA H 1 4.236 0.003 . 5 . . . . . 91 Q HA . 52606 1 734 . 1 . 1 91 91 GLN HB2 H 1 2.037 0 . 5 . . . . . 91 Q HB2 . 52606 1 735 . 1 . 1 91 91 GLN HB3 H 1 1.911 0 . 5 . . . . . 91 Q HB3 . 52606 1 736 . 1 . 1 91 91 GLN HG2 H 1 2.288 0.003 . 5 . . . . . 91 Q HG . 52606 1 737 . 1 . 1 91 91 GLN HG3 H 1 2.288 0.003 . 5 . . . . . 91 Q HG . 52606 1 738 . 1 . 1 91 91 GLN CA C 13 53.323 0.054 . 5 . . . . . 91 Q CA . 52606 1 739 . 1 . 1 91 91 GLN CB C 13 26.757 0.049 . 5 . . . . . 91 Q CB . 52606 1 740 . 1 . 1 91 91 GLN CG C 13 31.064 0.024 . 5 . . . . . 91 Q CG . 52606 1 741 . 1 . 1 91 91 GLN N N 15 122.467 0.009 . 5 . . . . . 91 Q N . 52606 1 742 . 1 . 1 92 92 GLN H H 1 8.011 0.002 . 1 . . . . . 92 Q HN . 52606 1 743 . 1 . 1 92 92 GLN HA H 1 4.079 0 . 1 . . . . . 92 Q HA . 52606 1 744 . 1 . 1 92 92 GLN HB2 H 1 2.03 0 . 1 . . . . . 92 Q HB2 . 52606 1 745 . 1 . 1 92 92 GLN HB3 H 1 1.837 0 . 1 . . . . . 92 Q HB3 . 52606 1 746 . 1 . 1 92 92 GLN HG2 H 1 2.21 0 . 1 . . . . . 92 Q HG . 52606 1 747 . 1 . 1 92 92 GLN HG3 H 1 2.21 0 . 1 . . . . . 92 Q HG . 52606 1 748 . 1 . 1 92 92 GLN CA C 13 54.745 0.007 . 1 . . . . . 92 Q CA . 52606 1 749 . 1 . 1 92 92 GLN CB C 13 27.683 0.006 . 1 . . . . . 92 Q CB . 52606 1 750 . 1 . 1 92 92 GLN CG C 13 31.547 0 . 1 . . . . . 92 Q CG . 52606 1 751 . 1 . 1 92 92 GLN N N 15 127.004 0.007 . 1 . . . . . 92 Q N . 52606 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 52606 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name Ago2_4repeats_hetNOE _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 900 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details 'heteronuclear NOE for analysis of dynamics, measurement of reference and experiment spectrum, ratio of intensities give NOE.' _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 16 '1H-15N heteronoe' . . . 52606 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 3 $software_3 . . 52606 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 GLY N N 15 . 1 1 1 1 GLY HN H 1 -0.232359033 0.001449307 . . . . . . . . . . 52606 1 2 . 1 1 2 2 GLY N N 15 . 1 1 2 2 GLY HN H 1 0.239810978 0.000368479 . . . . . . . . . . 52606 1 3 . 1 1 3 3 HIS N N 15 . 1 1 3 3 HIS HN H 1 0.290953753 0.001184223 . . . . . . . . . . 52606 1 4 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN HN H 1 0.265332009 0.000565484 . . . . . . . . . . 52606 1 5 . 1 1 5 5 GLN N N 15 . 1 1 5 5 GLN HN H 1 0.238668179 0.000247984 . . . . . . . . . . 52606 1 6 . 1 1 6 6 GLY N N 15 . 1 1 6 6 GLY HN H 1 0.240959141 0.000215483 . . . . . . . . . . 52606 1 7 . 1 1 7 7 ARG N N 15 . 1 1 7 7 ARG HN H 1 0.363255265 0.000270889 . . . . . . . . . . 52606 1 8 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN HN H 1 0.329209881 0.000218084 . . . . . . . . . . 52606 1 9 . 1 1 9 9 GLY N N 15 . 1 1 9 9 GLY HN H 1 0.296887196 0.000275442 . . . . . . . . . . 52606 1 10 . 1 1 10 10 GLN N N 15 . 1 1 10 10 GLN HN H 1 0.321276406 0.000200318 . . . . . . . . . . 52606 1 11 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU HN H 1 0.348154106 0.000189234 . . . . . . . . . . 52606 1 12 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY HN H 1 0.276531327 0.000225186 . . . . . . . . . . 52606 1 13 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY HN H 1 0.337265216 0.000266174 . . . . . . . . . . 52606 1 14 . 1 1 14 14 TYR N N 15 . 1 1 14 14 TYR HN H 1 0.381596856 0.00019838 . . . . . . . . . . 52606 1 15 . 1 1 15 15 GLN N N 15 . 1 1 15 15 GLN HN H 1 0.327459376 0.000249633 . . . . . . . . . . 52606 1 16 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN HN H 1 0.361203203 0.000300841 . . . . . . . . . . 52606 1 17 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG HN H 1 0.408448309 0.000521055 . . . . . . . . . . 52606 1 18 . 1 1 20 20 GLY N N 15 . 1 1 20 20 GLY HN H 1 0.362575994 0.00067182 . . . . . . . . . . 52606 1 19 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN HN H 1 0.449096724 0.000686758 . . . . . . . . . . 52606 1 20 . 1 1 22 22 GLN N N 15 . 1 1 22 22 GLN HN H 1 -0.448288598 0.001311384 . . . . . . . . . . 52606 1 21 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY HN H 1 0.239810978 0.000368479 . . . . . . . . . . 52606 1 22 . 1 1 26 26 HIS N N 15 . 1 1 26 26 HIS HN H 1 0.290953753 0.001184223 . . . . . . . . . . 52606 1 23 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN HN H 1 0.265332009 0.000565484 . . . . . . . . . . 52606 1 24 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN HN H 1 0.238668179 0.000247984 . . . . . . . . . . 52606 1 25 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY HN H 1 0.240959141 0.000215483 . . . . . . . . . . 52606 1 26 . 1 1 30 30 ARG N N 15 . 1 1 30 30 ARG HN H 1 0.363255265 0.000270889 . . . . . . . . . . 52606 1 27 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN HN H 1 0.329209881 0.000218084 . . . . . . . . . . 52606 1 28 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY HN H 1 0.296887196 0.000275442 . . . . . . . . . . 52606 1 29 . 1 1 33 33 GLN N N 15 . 1 1 33 33 GLN HN H 1 0.321276406 0.000200318 . . . . . . . . . . 52606 1 30 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU HN H 1 0.348154106 0.000189234 . . . . . . . . . . 52606 1 31 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY HN H 1 0.276531327 0.000225186 . . . . . . . . . . 52606 1 32 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY HN H 1 0.337265216 0.000266174 . . . . . . . . . . 52606 1 33 . 1 1 37 37 TYR N N 15 . 1 1 37 37 TYR HN H 1 0.381596856 0.00019838 . . . . . . . . . . 52606 1 34 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN HN H 1 0.327459376 0.000249633 . . . . . . . . . . 52606 1 35 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN HN H 1 0.361203203 0.000300841 . . . . . . . . . . 52606 1 36 . 1 1 40 40 ARG N N 15 . 1 1 40 40 ARG HN H 1 0.408448309 0.000521055 . . . . . . . . . . 52606 1 37 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER HN H 1 0.261956482 0.000553675 . . . . . . . . . . 52606 1 38 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY HN H 1 0.238620225 0.000891993 . . . . . . . . . . 52606 1 39 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN HN H 1 0.112503556 0.000521449 . . . . . . . . . . 52606 1 40 . 1 1 45 45 GLN N N 15 . 1 1 45 45 GLN HN H 1 -0.448288598 0.001311384 . . . . . . . . . . 52606 1 41 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY HN H 1 0.239810978 0.000368479 . . . . . . . . . . 52606 1 42 . 1 1 49 49 HIS N N 15 . 1 1 49 49 HIS HN H 1 0.290953753 0.001184223 . . . . . . . . . . 52606 1 43 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN HN H 1 0.265332009 0.000565484 . . . . . . . . . . 52606 1 44 . 1 1 51 51 GLN N N 15 . 1 1 51 51 GLN HN H 1 0.238668179 0.000247984 . . . . . . . . . . 52606 1 45 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY HN H 1 0.240959141 0.000215483 . . . . . . . . . . 52606 1 46 . 1 1 53 53 ARG N N 15 . 1 1 53 53 ARG HN H 1 0.363255265 0.000270889 . . . . . . . . . . 52606 1 47 . 1 1 54 54 GLN N N 15 . 1 1 54 54 GLN HN H 1 0.329209881 0.000218084 . . . . . . . . . . 52606 1 48 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY HN H 1 0.296887196 0.000275442 . . . . . . . . . . 52606 1 49 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN HN H 1 0.321276406 0.000200318 . . . . . . . . . . 52606 1 50 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU HN H 1 0.348154106 0.000189234 . . . . . . . . . . 52606 1 51 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY HN H 1 0.276531327 0.000225186 . . . . . . . . . . 52606 1 52 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY HN H 1 0.337265216 0.000266174 . . . . . . . . . . 52606 1 53 . 1 1 60 60 TYR N N 15 . 1 1 60 60 TYR HN H 1 0.381596856 0.00019838 . . . . . . . . . . 52606 1 54 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN HN H 1 0.327459376 0.000249633 . . . . . . . . . . 52606 1 55 . 1 1 62 62 GLN N N 15 . 1 1 62 62 GLN HN H 1 0.361203203 0.000300841 . . . . . . . . . . 52606 1 56 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG HN H 1 0.408448309 0.000521055 . . . . . . . . . . 52606 1 57 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY HN H 1 0.362575994 0.00067182 . . . . . . . . . . 52606 1 58 . 1 1 67 67 GLN N N 15 . 1 1 67 67 GLN HN H 1 0.449096724 0.000686758 . . . . . . . . . . 52606 1 59 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN HN H 1 -0.448288598 0.001311384 . . . . . . . . . . 52606 1 60 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY HN H 1 0.239810978 0.000368479 . . . . . . . . . . 52606 1 61 . 1 1 72 72 HIS N N 15 . 1 1 72 72 HIS HN H 1 0.290953753 0.001184223 . . . . . . . . . . 52606 1 62 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN HN H 1 0.265332009 0.000565484 . . . . . . . . . . 52606 1 63 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN HN H 1 0.238668179 0.000247984 . . . . . . . . . . 52606 1 64 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY HN H 1 0.240959141 0.000215483 . . . . . . . . . . 52606 1 65 . 1 1 76 76 ARG N N 15 . 1 1 76 76 ARG HN H 1 0.363255265 0.000270889 . . . . . . . . . . 52606 1 66 . 1 1 77 77 GLN N N 15 . 1 1 77 77 GLN HN H 1 0.329209881 0.000218084 . . . . . . . . . . 52606 1 67 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY HN H 1 0.296887196 0.000275442 . . . . . . . . . . 52606 1 68 . 1 1 79 79 GLN N N 15 . 1 1 79 79 GLN HN H 1 0.321276406 0.000200318 . . . . . . . . . . 52606 1 69 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU HN H 1 0.348154106 0.000189234 . . . . . . . . . . 52606 1 70 . 1 1 81 81 GLY N N 15 . 1 1 81 81 GLY HN H 1 0.276531327 0.000225186 . . . . . . . . . . 52606 1 71 . 1 1 82 82 GLY N N 15 . 1 1 82 82 GLY HN H 1 0.337265216 0.000266174 . . . . . . . . . . 52606 1 72 . 1 1 83 83 TYR N N 15 . 1 1 83 83 TYR HN H 1 0.381596856 0.00019838 . . . . . . . . . . 52606 1 73 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN HN H 1 0.327459376 0.000249633 . . . . . . . . . . 52606 1 74 . 1 1 85 85 GLN N N 15 . 1 1 85 85 GLN HN H 1 0.361203203 0.000300841 . . . . . . . . . . 52606 1 75 . 1 1 86 86 ARG N N 15 . 1 1 86 86 ARG HN H 1 0.408448309 0.000521055 . . . . . . . . . . 52606 1 76 . 1 1 88 88 SER N N 15 . 1 1 88 88 SER HN H 1 0.261956482 0.000553675 . . . . . . . . . . 52606 1 77 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY HN H 1 0.238620225 0.000891993 . . . . . . . . . . 52606 1 78 . 1 1 90 90 GLN N N 15 . 1 1 90 90 GLN HN H 1 0.112503556 0.000521449 . . . . . . . . . . 52606 1 79 . 1 1 91 91 GLN N N 15 . 1 1 91 91 GLN HN H 1 -0.448288598 0.001311384 . . . . . . . . . . 52606 1 80 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN HN H 1 -1.168774221 0.002723785 . . . . . . . . . . 52606 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 52606 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name Ago2_4repeats_T1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 14 'T1/R1 relaxation' . . . 52606 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $software_3 . . 52606 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 GLY N N 15 795.9 94.9 . . . . . 52606 1 2 . 1 1 2 2 GLY N N 15 823.3 79.2 . . . . . 52606 1 3 . 1 1 3 3 HIS N N 15 757.6 91.7 . . . . . 52606 1 4 . 1 1 4 4 GLN N N 15 762.4 49.3 . . . . . 52606 1 5 . 1 1 5 5 GLN N N 15 766.5 118 . . . . . 52606 1 6 . 1 1 6 6 GLY N N 15 781.8 138 . . . . . 52606 1 7 . 1 1 7 7 ARG N N 15 707.6 55.7 . . . . . 52606 1 8 . 1 1 8 8 GLN N N 15 714 85 . . . . . 52606 1 9 . 1 1 9 9 GLY N N 15 772.5 119 . . . . . 52606 1 10 . 1 1 10 10 GLN N N 15 702.5 36.3 . . . . . 52606 1 11 . 1 1 11 11 GLU N N 15 695.1 60.3 . . . . . 52606 1 12 . 1 1 12 12 GLY N N 15 732.9 89 . . . . . 52606 1 13 . 1 1 13 13 GLY N N 15 734.3 56.5 . . . . . 52606 1 14 . 1 1 14 14 TYR N N 15 674.4 75.8 . . . . . 52606 1 15 . 1 1 15 15 GLN N N 15 683.2 49.1 . . . . . 52606 1 16 . 1 1 16 16 GLN N N 15 696.3 51.8 . . . . . 52606 1 17 . 1 1 17 17 ARG N N 15 670.2 48.5 . . . . . 52606 1 18 . 1 1 20 20 GLY N N 15 738.1 88.2 . . . . . 52606 1 19 . 1 1 21 21 GLN N N 15 699.6 107 . . . . . 52606 1 20 . 1 1 22 22 GLN N N 15 1012 53.1 . . . . . 52606 1 21 . 1 1 25 25 GLY N N 15 823.3 79.2 . . . . . 52606 1 22 . 1 1 26 26 HIS N N 15 757.6 91.7 . . . . . 52606 1 23 . 1 1 27 27 GLN N N 15 762.4 49.3 . . . . . 52606 1 24 . 1 1 28 28 GLN N N 15 766.5 118 . . . . . 52606 1 25 . 1 1 29 29 GLY N N 15 781.8 138 . . . . . 52606 1 26 . 1 1 30 30 ARG N N 15 707.6 55.7 . . . . . 52606 1 27 . 1 1 31 31 GLN N N 15 714 85 . . . . . 52606 1 28 . 1 1 32 32 GLY N N 15 772.5 119 . . . . . 52606 1 29 . 1 1 33 33 GLN N N 15 702.5 36.3 . . . . . 52606 1 30 . 1 1 34 34 GLU N N 15 695.1 60.3 . . . . . 52606 1 31 . 1 1 35 35 GLY N N 15 732.9 89 . . . . . 52606 1 32 . 1 1 36 36 GLY N N 15 734.3 56.5 . . . . . 52606 1 33 . 1 1 37 37 TYR N N 15 674.4 75.8 . . . . . 52606 1 34 . 1 1 38 38 GLN N N 15 683.2 49.1 . . . . . 52606 1 35 . 1 1 39 39 GLN N N 15 696.3 51.8 . . . . . 52606 1 36 . 1 1 40 40 ARG N N 15 670.2 48.5 . . . . . 52606 1 37 . 1 1 42 42 SER N N 15 784.3 49.7 . . . . . 52606 1 38 . 1 1 43 43 GLY N N 15 859.2 112 . . . . . 52606 1 39 . 1 1 44 44 GLN N N 15 834.3 64.4 . . . . . 52606 1 40 . 1 1 45 45 GLN N N 15 699.6 107 . . . . . 52606 1 41 . 1 1 48 48 GLY N N 15 823.3 79.2 . . . . . 52606 1 42 . 1 1 49 49 HIS N N 15 757.6 91.7 . . . . . 52606 1 43 . 1 1 50 50 GLN N N 15 762.4 49.3 . . . . . 52606 1 44 . 1 1 51 51 GLN N N 15 766.5 118 . . . . . 52606 1 45 . 1 1 52 52 GLY N N 15 781.8 138 . . . . . 52606 1 46 . 1 1 53 53 ARG N N 15 707.6 55.7 . . . . . 52606 1 47 . 1 1 54 54 GLN N N 15 714 85 . . . . . 52606 1 48 . 1 1 55 55 GLY N N 15 772.5 119 . . . . . 52606 1 49 . 1 1 56 56 GLN N N 15 702.5 36.3 . . . . . 52606 1 50 . 1 1 57 57 GLU N N 15 695.1 60.3 . . . . . 52606 1 51 . 1 1 58 58 GLY N N 15 732.9 89 . . . . . 52606 1 52 . 1 1 59 59 GLY N N 15 734.3 56.5 . . . . . 52606 1 53 . 1 1 60 60 TYR N N 15 674.4 75.8 . . . . . 52606 1 54 . 1 1 61 61 GLN N N 15 683.2 49.1 . . . . . 52606 1 55 . 1 1 62 62 GLN N N 15 696.3 51.8 . . . . . 52606 1 56 . 1 1 63 63 ARG N N 15 670.2 48.5 . . . . . 52606 1 57 . 1 1 66 66 GLY N N 15 738.1 88.2 . . . . . 52606 1 58 . 1 1 67 67 GLN N N 15 699.6 107 . . . . . 52606 1 59 . 1 1 68 68 GLN N N 15 1012 53.1 . . . . . 52606 1 60 . 1 1 71 71 GLY N N 15 823.3 79.2 . . . . . 52606 1 61 . 1 1 72 72 HIS N N 15 757.6 91.7 . . . . . 52606 1 62 . 1 1 73 73 GLN N N 15 762.4 49.3 . . . . . 52606 1 63 . 1 1 74 74 GLN N N 15 766.5 118 . . . . . 52606 1 64 . 1 1 75 75 GLY N N 15 781.8 138 . . . . . 52606 1 65 . 1 1 76 76 ARG N N 15 707.6 55.7 . . . . . 52606 1 66 . 1 1 77 77 GLN N N 15 714 85 . . . . . 52606 1 67 . 1 1 78 78 GLY N N 15 772.5 119 . . . . . 52606 1 68 . 1 1 79 79 GLN N N 15 702.5 36.3 . . . . . 52606 1 69 . 1 1 80 80 GLU N N 15 695.1 60.3 . . . . . 52606 1 70 . 1 1 81 81 GLY N N 15 732.9 89 . . . . . 52606 1 71 . 1 1 82 82 GLY N N 15 734.3 56.5 . . . . . 52606 1 72 . 1 1 83 83 TYR N N 15 674.4 75.8 . . . . . 52606 1 73 . 1 1 84 84 GLN N N 15 683.2 49.1 . . . . . 52606 1 74 . 1 1 85 85 GLN N N 15 696.3 51.8 . . . . . 52606 1 75 . 1 1 86 86 ARG N N 15 670.2 48.5 . . . . . 52606 1 76 . 1 1 88 88 SER N N 15 784.3 49.7 . . . . . 52606 1 77 . 1 1 89 89 GLY N N 15 859.2 112 . . . . . 52606 1 78 . 1 1 90 90 GLN N N 15 834.3 64.4 . . . . . 52606 1 79 . 1 1 91 91 GLN N N 15 699.6 107 . . . . . 52606 1 80 . 1 1 92 92 GLN N N 15 1088 7.38 . . . . . 52606 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Entry_ID 52606 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name Ago2-4repeats_T1rho _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 950 _Heteronucl_T1rho_list.Temp_calibration_method methanol _Heteronucl_T1rho_list.Temp_control_method 'single scan interleaving' _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units ms _Heteronucl_T1rho_list.Rex_units na _Heteronucl_T1rho_list.Details . _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 17 'T1rho/R1rho relaxation' . . . 52606 1 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 3 $software_3 . . 52606 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 2 2 GLY N N 15 420.2 71.5 . . . . . . . 52606 1 2 . 1 1 3 3 HIS N N 15 461.7 39.8 . . . . . . . 52606 1 3 . 1 1 4 4 GLN N N 15 416.3 23 . . . . . . . 52606 1 4 . 1 1 5 5 GLN N N 15 407.1 9.93 . . . . . . . 52606 1 5 . 1 1 6 6 GLY N N 15 472.2 15 . . . . . . . 52606 1 6 . 1 1 7 7 ARG N N 15 377.4 15.3 . . . . . . . 52606 1 7 . 1 1 8 8 GLN N N 15 403 12.7 . . . . . . . 52606 1 8 . 1 1 9 9 GLY N N 15 459.5 5.09 . . . . . . . 52606 1 9 . 1 1 10 10 GLN N N 15 381.1 8.49 . . . . . . . 52606 1 10 . 1 1 11 11 GLU N N 15 409 12.7 . . . . . . . 52606 1 11 . 1 1 12 12 GLY N N 15 443.1 24.3 . . . . . . . 52606 1 12 . 1 1 13 13 GLY N N 15 355.4 41.2 . . . . . . . 52606 1 13 . 1 1 14 14 TYR N N 15 360.8 11.1 . . . . . . . 52606 1 14 . 1 1 15 15 GLN N N 15 348.2 9.82 . . . . . . . 52606 1 15 . 1 1 16 16 GLN N N 15 345.9 13.1 . . . . . . . 52606 1 16 . 1 1 17 17 ARG N N 15 390.3 7.1 . . . . . . . 52606 1 17 . 1 1 20 20 GLY N N 15 316.6 43.6 . . . . . . . 52606 1 18 . 1 1 21 21 GLN N N 15 351.9 10.8 . . . . . . . 52606 1 19 . 1 1 22 22 GLN N N 15 535 26.1 . . . . . . . 52606 1 20 . 1 1 25 25 GLY N N 15 420.2 71.5 . . . . . . . 52606 1 21 . 1 1 26 26 HIS N N 15 461.7 39.8 . . . . . . . 52606 1 22 . 1 1 27 27 GLN N N 15 416.3 23 . . . . . . . 52606 1 23 . 1 1 28 28 GLN N N 15 407.1 9.93 . . . . . . . 52606 1 24 . 1 1 29 29 GLY N N 15 472.2 15 . . . . . . . 52606 1 25 . 1 1 30 30 ARG N N 15 377.4 15.3 . . . . . . . 52606 1 26 . 1 1 31 31 GLN N N 15 403 12.7 . . . . . . . 52606 1 27 . 1 1 32 32 GLY N N 15 459.5 5.09 . . . . . . . 52606 1 28 . 1 1 33 33 GLN N N 15 381.1 8.49 . . . . . . . 52606 1 29 . 1 1 34 34 GLU N N 15 409 12.7 . . . . . . . 52606 1 30 . 1 1 35 35 GLY N N 15 443.1 24.3 . . . . . . . 52606 1 31 . 1 1 36 36 GLY N N 15 355.4 41.2 . . . . . . . 52606 1 32 . 1 1 37 37 TYR N N 15 360.8 11.1 . . . . . . . 52606 1 33 . 1 1 38 38 GLN N N 15 348.2 9.82 . . . . . . . 52606 1 34 . 1 1 39 39 GLN N N 15 345.9 13.1 . . . . . . . 52606 1 35 . 1 1 40 40 ARG N N 15 390.3 7.1 . . . . . . . 52606 1 36 . 1 1 42 42 SER N N 15 413.6 24.9 . . . . . . . 52606 1 37 . 1 1 44 44 GLN N N 15 439.3 29.1 . . . . . . . 52606 1 38 . 1 1 45 45 GLN N N 15 535 26.1 . . . . . . . 52606 1 39 . 1 1 48 48 GLY N N 15 420.2 71.5 . . . . . . . 52606 1 40 . 1 1 49 49 HIS N N 15 461.7 39.8 . . . . . . . 52606 1 41 . 1 1 50 50 GLN N N 15 416.3 23 . . . . . . . 52606 1 42 . 1 1 51 51 GLN N N 15 407.1 9.93 . . . . . . . 52606 1 43 . 1 1 52 52 GLY N N 15 472.2 15 . . . . . . . 52606 1 44 . 1 1 53 53 ARG N N 15 377.4 15.3 . . . . . . . 52606 1 45 . 1 1 54 54 GLN N N 15 403 12.7 . . . . . . . 52606 1 46 . 1 1 55 55 GLY N N 15 459.5 5.09 . . . . . . . 52606 1 47 . 1 1 56 56 GLN N N 15 381.1 8.49 . . . . . . . 52606 1 48 . 1 1 57 57 GLU N N 15 409 12.7 . . . . . . . 52606 1 49 . 1 1 58 58 GLY N N 15 443.1 24.3 . . . . . . . 52606 1 50 . 1 1 59 59 GLY N N 15 355.4 41.2 . . . . . . . 52606 1 51 . 1 1 60 60 TYR N N 15 360.8 11.1 . . . . . . . 52606 1 52 . 1 1 61 61 GLN N N 15 348.2 9.82 . . . . . . . 52606 1 53 . 1 1 62 62 GLN N N 15 345.9 13.1 . . . . . . . 52606 1 54 . 1 1 63 63 ARG N N 15 390.3 7.1 . . . . . . . 52606 1 55 . 1 1 66 66 GLY N N 15 316.6 43.6 . . . . . . . 52606 1 56 . 1 1 67 67 GLN N N 15 351.9 10.8 . . . . . . . 52606 1 57 . 1 1 68 68 GLN N N 15 535 26.1 . . . . . . . 52606 1 58 . 1 1 71 71 GLY N N 15 420.2 71.5 . . . . . . . 52606 1 59 . 1 1 72 72 HIS N N 15 461.7 39.8 . . . . . . . 52606 1 60 . 1 1 73 73 GLN N N 15 416.3 23 . . . . . . . 52606 1 61 . 1 1 74 74 GLN N N 15 407.1 9.93 . . . . . . . 52606 1 62 . 1 1 75 75 GLY N N 15 472.2 15 . . . . . . . 52606 1 63 . 1 1 76 76 ARG N N 15 377.4 15.3 . . . . . . . 52606 1 64 . 1 1 77 77 GLN N N 15 403 12.7 . . . . . . . 52606 1 65 . 1 1 78 78 GLY N N 15 459.5 5.09 . . . . . . . 52606 1 66 . 1 1 79 79 GLN N N 15 381.1 8.49 . . . . . . . 52606 1 67 . 1 1 80 80 GLU N N 15 409 12.7 . . . . . . . 52606 1 68 . 1 1 81 81 GLY N N 15 443.1 24.3 . . . . . . . 52606 1 69 . 1 1 82 82 GLY N N 15 355.4 41.2 . . . . . . . 52606 1 70 . 1 1 83 83 TYR N N 15 360.8 11.1 . . . . . . . 52606 1 71 . 1 1 84 84 GLN N N 15 348.2 9.82 . . . . . . . 52606 1 72 . 1 1 85 85 GLN N N 15 345.9 13.1 . . . . . . . 52606 1 73 . 1 1 86 86 ARG N N 15 390.3 7.1 . . . . . . . 52606 1 74 . 1 1 88 88 SER N N 15 413.6 24.9 . . . . . . . 52606 1 75 . 1 1 90 90 GLN N N 15 439.3 29.1 . . . . . . . 52606 1 76 . 1 1 91 91 GLN N N 15 535 26.1 . . . . . . . 52606 1 77 . 1 1 92 92 GLN N N 15 801.3 16 . . . . . . . 52606 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 52606 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name Ago2-4repeats_T2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 15 'T2/R2 relaxation' . . . 52606 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $software_3 . . 52606 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 1 1 GLY N N 15 324.4 41.5 . . . . . . . 52606 1 2 . 1 1 2 2 GLY N N 15 305.3 24.2 . . . . . . . 52606 1 3 . 1 1 3 3 HIS N N 15 313 12.2 . . . . . . . 52606 1 4 . 1 1 4 4 GLN N N 15 353.8 13.5 . . . . . . . 52606 1 5 . 1 1 5 5 GLN N N 15 340.4 12.6 . . . . . . . 52606 1 6 . 1 1 6 6 GLY N N 15 252.5 12.9 . . . . . . . 52606 1 7 . 1 1 7 7 ARG N N 15 359.3 28.4 . . . . . . . 52606 1 8 . 1 1 8 8 GLN N N 15 343.4 20.7 . . . . . . . 52606 1 9 . 1 1 9 9 GLY N N 15 248.4 7.45 . . . . . . . 52606 1 10 . 1 1 10 10 GLN N N 15 350.2 17.3 . . . . . . . 52606 1 11 . 1 1 11 11 GLU N N 15 363.9 27.6 . . . . . . . 52606 1 12 . 1 1 12 12 GLY N N 15 231.6 14.4 . . . . . . . 52606 1 13 . 1 1 13 13 GLY N N 15 299.4 27.8 . . . . . . . 52606 1 14 . 1 1 14 14 TYR N N 15 335.4 36.4 . . . . . . . 52606 1 15 . 1 1 15 15 GLN N N 15 335.9 17.3 . . . . . . . 52606 1 16 . 1 1 16 16 GLN N N 15 320.1 19.6 . . . . . . . 52606 1 17 . 1 1 17 17 ARG N N 15 249.2 7.22 . . . . . . . 52606 1 18 . 1 1 20 20 GLY N N 15 251.8 17.2 . . . . . . . 52606 1 19 . 1 1 21 21 GLN N N 15 312.8 17.1 . . . . . . . 52606 1 20 . 1 1 22 22 GLN N N 15 530.5 36.8 . . . . . . . 52606 1 21 . 1 1 25 25 GLY N N 15 305.3 24.2 . . . . . . . 52606 1 22 . 1 1 26 26 HIS N N 15 313 12.2 . . . . . . . 52606 1 23 . 1 1 27 27 GLN N N 15 353.8 13.5 . . . . . . . 52606 1 24 . 1 1 28 28 GLN N N 15 340.4 12.6 . . . . . . . 52606 1 25 . 1 1 29 29 GLY N N 15 252.5 12.9 . . . . . . . 52606 1 26 . 1 1 30 30 ARG N N 15 359.3 28.4 . . . . . . . 52606 1 27 . 1 1 31 31 GLN N N 15 343.4 20.7 . . . . . . . 52606 1 28 . 1 1 32 32 GLY N N 15 248.4 7.45 . . . . . . . 52606 1 29 . 1 1 33 33 GLN N N 15 350.2 17.3 . . . . . . . 52606 1 30 . 1 1 34 34 GLU N N 15 363.9 27.6 . . . . . . . 52606 1 31 . 1 1 35 35 GLY N N 15 231.6 14.4 . . . . . . . 52606 1 32 . 1 1 36 36 GLY N N 15 299.4 27.8 . . . . . . . 52606 1 33 . 1 1 37 37 TYR N N 15 335.4 36.4 . . . . . . . 52606 1 34 . 1 1 38 38 GLN N N 15 335.9 17.3 . . . . . . . 52606 1 35 . 1 1 39 39 GLN N N 15 320.1 19.6 . . . . . . . 52606 1 36 . 1 1 40 40 ARG N N 15 249.2 7.22 . . . . . . . 52606 1 37 . 1 1 42 42 SER N N 15 356.3 15.2 . . . . . . . 52606 1 38 . 1 1 43 43 GLY N N 15 282.8 16.6 . . . . . . . 52606 1 39 . 1 1 44 44 GLN N N 15 426.5 39.3 . . . . . . . 52606 1 40 . 1 1 45 45 GLN N N 15 530.5 36.8 . . . . . . . 52606 1 41 . 1 1 48 48 GLY N N 15 324.4 41.5 . . . . . . . 52606 1 42 . 1 1 49 49 HIS N N 15 305.3 24.2 . . . . . . . 52606 1 43 . 1 1 50 50 GLN N N 15 313 12.2 . . . . . . . 52606 1 44 . 1 1 51 51 GLN N N 15 353.8 13.5 . . . . . . . 52606 1 45 . 1 1 52 52 GLY N N 15 340.4 12.6 . . . . . . . 52606 1 46 . 1 1 53 53 ARG N N 15 252.5 12.9 . . . . . . . 52606 1 47 . 1 1 54 54 GLN N N 15 359.3 28.4 . . . . . . . 52606 1 48 . 1 1 55 55 GLY N N 15 343.4 20.7 . . . . . . . 52606 1 49 . 1 1 56 56 GLN N N 15 248.4 7.45 . . . . . . . 52606 1 50 . 1 1 57 57 GLU N N 15 350.2 17.3 . . . . . . . 52606 1 51 . 1 1 58 58 GLY N N 15 363.9 27.6 . . . . . . . 52606 1 52 . 1 1 59 59 GLY N N 15 231.6 14.4 . . . . . . . 52606 1 53 . 1 1 60 60 TYR N N 15 299.4 27.8 . . . . . . . 52606 1 54 . 1 1 61 61 GLN N N 15 335.4 36.4 . . . . . . . 52606 1 55 . 1 1 62 62 GLN N N 15 335.9 17.3 . . . . . . . 52606 1 56 . 1 1 63 63 ARG N N 15 320.1 19.6 . . . . . . . 52606 1 57 . 1 1 66 66 GLY N N 15 249.2 7.22 . . . . . . . 52606 1 58 . 1 1 67 67 GLN N N 15 251.8 17.2 . . . . . . . 52606 1 59 . 1 1 68 68 GLN N N 15 312.8 17.1 . . . . . . . 52606 1 60 . 1 1 71 71 GLY N N 15 530.5 36.8 . . . . . . . 52606 1 61 . 1 1 72 72 HIS N N 15 305.3 24.2 . . . . . . . 52606 1 62 . 1 1 73 73 GLN N N 15 313 12.2 . . . . . . . 52606 1 63 . 1 1 74 74 GLN N N 15 353.8 13.5 . . . . . . . 52606 1 64 . 1 1 75 75 GLY N N 15 340.4 12.6 . . . . . . . 52606 1 65 . 1 1 76 76 ARG N N 15 252.5 12.9 . . . . . . . 52606 1 66 . 1 1 77 77 GLN N N 15 359.3 28.4 . . . . . . . 52606 1 67 . 1 1 78 78 GLY N N 15 343.4 20.7 . . . . . . . 52606 1 68 . 1 1 79 79 GLN N N 15 248.4 7.45 . . . . . . . 52606 1 69 . 1 1 80 80 GLU N N 15 350.2 17.3 . . . . . . . 52606 1 70 . 1 1 81 81 GLY N N 15 363.9 27.6 . . . . . . . 52606 1 71 . 1 1 82 82 GLY N N 15 231.6 14.4 . . . . . . . 52606 1 72 . 1 1 83 83 TYR N N 15 299.4 27.8 . . . . . . . 52606 1 73 . 1 1 84 84 GLN N N 15 335.4 36.4 . . . . . . . 52606 1 74 . 1 1 85 85 GLN N N 15 335.9 17.3 . . . . . . . 52606 1 75 . 1 1 86 86 ARG N N 15 320.1 19.6 . . . . . . . 52606 1 76 . 1 1 88 88 SER N N 15 249.2 7.22 . . . . . . . 52606 1 77 . 1 1 89 89 GLY N N 15 356.3 15.2 . . . . . . . 52606 1 78 . 1 1 90 90 GLN N N 15 282.8 16.6 . . . . . . . 52606 1 79 . 1 1 91 91 GLN N N 15 426.5 39.3 . . . . . . . 52606 1 80 . 1 1 92 92 GLN N N 15 530.5 36.8 . . . . . . . 52606 1 stop_ save_