data_52607 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52607 _Entry.Title ; Chemical shift assignments and dynamics (hetNOE, T2) of the Q-rich N-terminus of Drosophila Ago2 ; _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 . _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 . . . . 52607 2 Michael Sattler . . . . 52607 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Technical University of Munich, Helmholtz Center Munich' . 52607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52607 heteronucl_NOEs 1 52607 heteronucl_T2_relaxation 1 52607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 52607 '15N chemical shifts' 70 52607 '1H chemical shifts' 71 52607 'T2 relaxation values' 66 52607 'heteronuclear NOE values' 69 52607 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 . 52607 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' 52607 BMRB 52606 'Assignment and dynamics (hetNOE, T1, T1 rho, T2) of Drosophila Ago2 4-repeats' 52607 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52607 _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 . . . . 52607 1 2 Selina Mussgnug . . . . 52607 1 3 Hyun-Seo Kang . . . . 52607 1 4 Sam Asami . . . . 52607 1 5 Judit Sastre . . . . 52607 1 6 Carsten Donau . . . . 52607 1 7 Gerd Gemmecker . . . . 52607 1 8 Job Boekhoven . . . . 52607 1 9 Klaus Forstemann . . . . 52607 1 10 Michael Sattler . . . . 52607 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA interference, Liquid-liquid phase separation, Intrinsically disordered regions' 52607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52607 _Assembly.ID 1 _Assembly.Name Ago2_Nterm _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 12754.70 _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_Nterm 1 $entity_1 . . yes native no no . . . 52607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52607 _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 ; MGKKDKNKKGGQDSAAAPQP QQQQKQQQQRQQQPQQLQQP QQLQQPQQQQQQQPHQQQQQ SSRQQPSTSSGGSRASGFQQ GGQQQKSQDAEGWTAQKKQG KQQVQGWTKQGQQ ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state reduced _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 . . . . . . . . . . . . . . 52607 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 . MET . 52607 1 2 . GLY . 52607 1 3 . LYS . 52607 1 4 . LYS . 52607 1 5 . ASP . 52607 1 6 . LYS . 52607 1 7 . ASN . 52607 1 8 . LYS . 52607 1 9 . LYS . 52607 1 10 . GLY . 52607 1 11 . GLY . 52607 1 12 . GLN . 52607 1 13 . ASP . 52607 1 14 . SER . 52607 1 15 . ALA . 52607 1 16 . ALA . 52607 1 17 . ALA . 52607 1 18 . PRO . 52607 1 19 . GLN . 52607 1 20 . PRO . 52607 1 21 . GLN . 52607 1 22 . GLN . 52607 1 23 . GLN . 52607 1 24 . GLN . 52607 1 25 . LYS . 52607 1 26 . GLN . 52607 1 27 . GLN . 52607 1 28 . GLN . 52607 1 29 . GLN . 52607 1 30 . ARG . 52607 1 31 . GLN . 52607 1 32 . GLN . 52607 1 33 . GLN . 52607 1 34 . PRO . 52607 1 35 . GLN . 52607 1 36 . GLN . 52607 1 37 . LEU . 52607 1 38 . GLN . 52607 1 39 . GLN . 52607 1 40 . PRO . 52607 1 41 . GLN . 52607 1 42 . GLN . 52607 1 43 . LEU . 52607 1 44 . GLN . 52607 1 45 . GLN . 52607 1 46 . PRO . 52607 1 47 . GLN . 52607 1 48 . GLN . 52607 1 49 . GLN . 52607 1 50 . GLN . 52607 1 51 . GLN . 52607 1 52 . GLN . 52607 1 53 . GLN . 52607 1 54 . PRO . 52607 1 55 . HIS . 52607 1 56 . GLN . 52607 1 57 . GLN . 52607 1 58 . GLN . 52607 1 59 . GLN . 52607 1 60 . GLN . 52607 1 61 . SER . 52607 1 62 . SER . 52607 1 63 . ARG . 52607 1 64 . GLN . 52607 1 65 . GLN . 52607 1 66 . PRO . 52607 1 67 . SER . 52607 1 68 . THR . 52607 1 69 . SER . 52607 1 70 . SER . 52607 1 71 . GLY . 52607 1 72 . GLY . 52607 1 73 . SER . 52607 1 74 . ARG . 52607 1 75 . ALA . 52607 1 76 . SER . 52607 1 77 . GLY . 52607 1 78 . PHE . 52607 1 79 . GLN . 52607 1 80 . GLN . 52607 1 81 . GLY . 52607 1 82 . GLY . 52607 1 83 . GLN . 52607 1 84 . GLN . 52607 1 85 . GLN . 52607 1 86 . LYS . 52607 1 87 . SER . 52607 1 88 . GLN . 52607 1 89 . ASP . 52607 1 90 . ALA . 52607 1 91 . GLU . 52607 1 92 . GLY . 52607 1 93 . TRP . 52607 1 94 . THR . 52607 1 95 . ALA . 52607 1 96 . GLN . 52607 1 97 . LYS . 52607 1 98 . LYS . 52607 1 99 . GLN . 52607 1 100 . GLY . 52607 1 101 . LYS . 52607 1 102 . GLN . 52607 1 103 . GLN . 52607 1 104 . VAL . 52607 1 105 . GLN . 52607 1 106 . GLY . 52607 1 107 . TRP . 52607 1 108 . THR . 52607 1 109 . LYS . 52607 1 110 . GLN . 52607 1 111 . GLY . 52607 1 112 . GLN . 52607 1 113 . GLN . 52607 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52607 1 . GLY 2 2 52607 1 . LYS 3 3 52607 1 . LYS 4 4 52607 1 . ASP 5 5 52607 1 . LYS 6 6 52607 1 . ASN 7 7 52607 1 . LYS 8 8 52607 1 . LYS 9 9 52607 1 . GLY 10 10 52607 1 . GLY 11 11 52607 1 . GLN 12 12 52607 1 . ASP 13 13 52607 1 . SER 14 14 52607 1 . ALA 15 15 52607 1 . ALA 16 16 52607 1 . ALA 17 17 52607 1 . PRO 18 18 52607 1 . GLN 19 19 52607 1 . PRO 20 20 52607 1 . GLN 21 21 52607 1 . GLN 22 22 52607 1 . GLN 23 23 52607 1 . GLN 24 24 52607 1 . LYS 25 25 52607 1 . GLN 26 26 52607 1 . GLN 27 27 52607 1 . GLN 28 28 52607 1 . GLN 29 29 52607 1 . ARG 30 30 52607 1 . GLN 31 31 52607 1 . GLN 32 32 52607 1 . GLN 33 33 52607 1 . PRO 34 34 52607 1 . GLN 35 35 52607 1 . GLN 36 36 52607 1 . LEU 37 37 52607 1 . GLN 38 38 52607 1 . GLN 39 39 52607 1 . PRO 40 40 52607 1 . GLN 41 41 52607 1 . GLN 42 42 52607 1 . LEU 43 43 52607 1 . GLN 44 44 52607 1 . GLN 45 45 52607 1 . PRO 46 46 52607 1 . GLN 47 47 52607 1 . GLN 48 48 52607 1 . GLN 49 49 52607 1 . GLN 50 50 52607 1 . GLN 51 51 52607 1 . GLN 52 52 52607 1 . GLN 53 53 52607 1 . PRO 54 54 52607 1 . HIS 55 55 52607 1 . GLN 56 56 52607 1 . GLN 57 57 52607 1 . GLN 58 58 52607 1 . GLN 59 59 52607 1 . GLN 60 60 52607 1 . SER 61 61 52607 1 . SER 62 62 52607 1 . ARG 63 63 52607 1 . GLN 64 64 52607 1 . GLN 65 65 52607 1 . PRO 66 66 52607 1 . SER 67 67 52607 1 . THR 68 68 52607 1 . SER 69 69 52607 1 . SER 70 70 52607 1 . GLY 71 71 52607 1 . GLY 72 72 52607 1 . SER 73 73 52607 1 . ARG 74 74 52607 1 . ALA 75 75 52607 1 . SER 76 76 52607 1 . GLY 77 77 52607 1 . PHE 78 78 52607 1 . GLN 79 79 52607 1 . GLN 80 80 52607 1 . GLY 81 81 52607 1 . GLY 82 82 52607 1 . GLN 83 83 52607 1 . GLN 84 84 52607 1 . GLN 85 85 52607 1 . LYS 86 86 52607 1 . SER 87 87 52607 1 . GLN 88 88 52607 1 . ASP 89 89 52607 1 . ALA 90 90 52607 1 . GLU 91 91 52607 1 . GLY 92 92 52607 1 . TRP 93 93 52607 1 . THR 94 94 52607 1 . ALA 95 95 52607 1 . GLN 96 96 52607 1 . LYS 97 97 52607 1 . LYS 98 98 52607 1 . GLN 99 99 52607 1 . GLY 100 100 52607 1 . LYS 101 101 52607 1 . GLN 102 102 52607 1 . GLN 103 103 52607 1 . VAL 104 104 52607 1 . GLN 105 105 52607 1 . GLY 106 106 52607 1 . TRP 107 107 52607 1 . THR 108 108 52607 1 . LYS 109 109 52607 1 . GLN 110 110 52607 1 . GLY 111 111 52607 1 . GLN 112 112 52607 1 . GLN 113 113 52607 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 52607 _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 . . . . . . . . . . . . . 52607 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 52607 _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 . . . 52607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52607 _Sample.ID 1 _Sample.Name Ago2_Nterm_assign_T2 _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_Nterm '[U-13C; U-15N]' . . 1 $entity_1 . . 750 . . uM . . . . 52607 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52607 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52607 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52607 _Sample.ID 2 _Sample.Name Ago2_Nterm_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_Nterm [U-15N] . . 1 $entity_1 . . 450 . . uM . . . . 52607 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52607 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52607 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52607 _Sample_condition_list.ID 1 _Sample_condition_list.Name Ago2_Nterm _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 52607 1 pressure 1 . atm 52607 1 temperature 298 . K 52607 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52607 _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' . 52607 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52607 _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 . 52607 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52607 _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' . 52607 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 52607 _NMR_spectrometer.ID 1 _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_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52607 _NMR_spectrometer.ID 2 _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_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52607 _NMR_spectrometer.ID 3 _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 52607 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52607 1 2 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52607 1 3 '3D CBCACONH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52607 1 4 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52607 1 5 '3D HNCACO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52607 1 6 '3D C(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52607 1 7 '3D H(CCO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52607 1 8 '1H-15N heteronoe' no no yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52607 1 9 'T2/R2 relaxation' no no yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52607 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 52607 _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 0.251449539 . . . . . 52607 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . 52607 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 52607 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 52607 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Ago2_Nterm_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' . . . 52607 1 2 '3D HNCACB' . . . 52607 1 3 '3D CBCACONH' . . . 52607 1 4 '3D HNCO' . . . 52607 1 5 '3D HNCACO' . . . 52607 1 6 '3D C(CO)NH' . . . 52607 1 7 '3D H(CCO)NH' . . . 52607 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 . . 52607 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 MET H H 1 8.492 0.001 . 1 . . . . . 1 M HN . 52607 1 2 . 1 . 1 1 1 MET CA C 13 52.865 0.037 . 1 . . . . . 1 M CA . 52607 1 3 . 1 . 1 1 1 MET CB C 13 30.155 0.048 . 1 . . . . . 1 M CB . 52607 1 4 . 1 . 1 1 1 MET N N 15 119.823 0.007 . 1 . . . . . 1 M N . 52607 1 5 . 1 . 1 2 2 GLY H H 1 8.385 0.003 . 1 . . . . . 2 G HN . 52607 1 6 . 1 . 1 2 2 GLY CA C 13 42.515 0.055 . 1 . . . . . 2 G CA . 52607 1 7 . 1 . 1 2 2 GLY N N 15 110.289 0.058 . 1 . . . . . 2 G N . 52607 1 8 . 1 . 1 3 3 LYS H H 1 8.157 0.002 . 1 . . . . . 3 K HN . 52607 1 9 . 1 . 1 3 3 LYS CA C 13 53.75 0.055 . 1 . . . . . 3 K CA . 52607 1 10 . 1 . 1 3 3 LYS CB C 13 30.141 0.165 . 1 . . . . . 3 K CB . 52607 1 11 . 1 . 1 3 3 LYS CG C 13 22.014 0 . 1 . . . . . 3 K CG . 52607 1 12 . 1 . 1 3 3 LYS CD C 13 26.2 0 . 1 . . . . . 3 K CD . 52607 1 13 . 1 . 1 3 3 LYS CE C 13 39.347 0 . 1 . . . . . 3 K CE . 52607 1 14 . 1 . 1 3 3 LYS N N 15 120.891 0.029 . 1 . . . . . 3 K N . 52607 1 15 . 1 . 1 4 4 LYS H H 1 8.178 0 . 1 . . . . . 4 K HN . 52607 1 16 . 1 . 1 4 4 LYS CA C 13 53.693 0 . 1 . . . . . 4 K CA . 52607 1 17 . 1 . 1 4 4 LYS CB C 13 30.25 0 . 1 . . . . . 4 K CB . 52607 1 18 . 1 . 1 4 4 LYS CG C 13 21.98 0 . 1 . . . . . 4 K CG . 52607 1 19 . 1 . 1 4 4 LYS CD C 13 26.133 0 . 1 . . . . . 4 K CD . 52607 1 20 . 1 . 1 4 4 LYS CE C 13 39.58 0 . 1 . . . . . 4 K CE . 52607 1 21 . 1 . 1 4 4 LYS N N 15 122.072 0.009 . 1 . . . . . 4 K N . 52607 1 22 . 1 . 1 5 5 ASP H H 1 8.245 0.001 . 1 . . . . . 5 D HN . 52607 1 23 . 1 . 1 5 5 ASP CA C 13 51.515 0.017 . 1 . . . . . 5 D CA . 52607 1 24 . 1 . 1 5 5 ASP CB C 13 38.67 0.029 . 1 . . . . . 5 D CB . 52607 1 25 . 1 . 1 5 5 ASP N N 15 121.743 0.014 . 1 . . . . . 5 D N . 52607 1 26 . 1 . 1 6 6 LYS H H 1 8.278 0.001 . 1 . . . . . 6 K HN . 52607 1 27 . 1 . 1 6 6 LYS CA C 13 54.07 0.087 . 1 . . . . . 6 K CA . 52607 1 28 . 1 . 1 6 6 LYS CB C 13 29.974 0.092 . 1 . . . . . 6 K CB . 52607 1 29 . 1 . 1 6 6 LYS CG C 13 21.827 0 . 1 . . . . . 6 K CG . 52607 1 30 . 1 . 1 6 6 LYS CD C 13 26.295 0 . 1 . . . . . 6 K CD . 52607 1 31 . 1 . 1 6 6 LYS CE C 13 39.263 0 . 1 . . . . . 6 K CE . 52607 1 32 . 1 . 1 6 6 LYS N N 15 121.999 0.039 . 1 . . . . . 6 K N . 52607 1 33 . 1 . 1 7 7 ASN H H 1 8.393 0.002 . 1 . . . . . 7 N HN . 52607 1 34 . 1 . 1 7 7 ASN HD21 H 1 7.612 0 . 1 . . . . . 7 N HD21 . 52607 1 35 . 1 . 1 7 7 ASN HD22 H 1 6.876 0 . 1 . . . . . 7 N HD22 . 52607 1 36 . 1 . 1 7 7 ASN CA C 13 50.75 0.09 . 1 . . . . . 7 N CA . 52607 1 37 . 1 . 1 7 7 ASN CB C 13 36.139 0.045 . 1 . . . . . 7 N CB . 52607 1 38 . 1 . 1 7 7 ASN N N 15 118.817 0.019 . 1 . . . . . 7 N N . 52607 1 39 . 1 . 1 7 7 ASN ND2 N 15 113.29 0 . 1 . . . . . 7 N ND2 . 52607 1 40 . 1 . 1 8 8 LYS H H 1 8.074 0.004 . 1 . . . . . 8 K HN . 52607 1 41 . 1 . 1 8 8 LYS CA C 13 53.441 0 . 1 . . . . . 8 K CA . 52607 1 42 . 1 . 1 8 8 LYS CB C 13 30.208 0.051 . 1 . . . . . 8 K CB . 52607 1 43 . 1 . 1 8 8 LYS CG C 13 21.956 0 . 1 . . . . . 8 K CG . 52607 1 44 . 1 . 1 8 8 LYS CD C 13 26.507 0 . 1 . . . . . 8 K CD . 52607 1 45 . 1 . 1 8 8 LYS CE C 13 39.289 0 . 1 . . . . . 8 K CE . 52607 1 46 . 1 . 1 8 8 LYS N N 15 121.725 0.065 . 1 . . . . . 8 K N . 52607 1 47 . 1 . 1 9 9 LYS H H 1 8.339 0.004 . 1 . . . . . 9 K HN . 52607 1 48 . 1 . 1 9 9 LYS CB C 13 30.343 0 . 1 . . . . . 9 K CB . 52607 1 49 . 1 . 1 9 9 LYS CG C 13 21.989 0 . 1 . . . . . 9 K CG . 52607 1 50 . 1 . 1 9 9 LYS CD C 13 29.243 0 . 1 . . . . . 9 K CD . 52607 1 51 . 1 . 1 9 9 LYS CE C 13 39.288 0 . 1 . . . . . 9 K CE . 52607 1 52 . 1 . 1 9 9 LYS N N 15 122.905 0.079 . 1 . . . . . 9 K N . 52607 1 53 . 1 . 1 10 10 GLY H H 1 8.389 0.002 . 1 . . . . . 10 G HN . 52607 1 54 . 1 . 1 10 10 GLY CA C 13 42.538 0 . 1 . . . . . 10 G CA . 52607 1 55 . 1 . 1 10 10 GLY N N 15 110.34 0.064 . 1 . . . . . 10 G N . 52607 1 56 . 1 . 1 11 11 GLY H H 1 8.249 0 . 1 . . . . . 11 G HN . 52607 1 57 . 1 . 1 11 11 GLY CA C 13 42.545 0.028 . 1 . . . . . 11 G CA . 52607 1 58 . 1 . 1 11 11 GLY N N 15 108.646 0.008 . 1 . . . . . 11 G N . 52607 1 59 . 1 . 1 12 12 GLN H H 1 8.29 0.001 . 1 . . . . . 12 Q H . 52607 1 60 . 1 . 1 12 12 GLN CA C 13 53.203 0 . 1 . . . . . 12 Q CA . 52607 1 61 . 1 . 1 12 12 GLN CB C 13 26.757 0 . 1 . . . . . 12 Q CB . 52607 1 62 . 1 . 1 12 12 GLN N N 15 119.725 0.014 . 1 . . . . . 12 Q N . 52607 1 63 . 1 . 1 13 13 ASP H H 1 8.388 0.002 . 1 . . . . . 13 D HN . 52607 1 64 . 1 . 1 13 13 ASP CA C 13 51.64 0.204 . 1 . . . . . 13 D CA . 52607 1 65 . 1 . 1 13 13 ASP CB C 13 38.474 0.052 . 1 . . . . . 13 D CB . 52607 1 66 . 1 . 1 13 13 ASP N N 15 121.638 0.002 . 1 . . . . . 13 D N . 52607 1 67 . 1 . 1 14 14 SER H H 1 8.188 0.001 . 1 . . . . . 14 S HN . 52607 1 68 . 1 . 1 14 14 SER CA C 13 55.929 0.117 . 1 . . . . . 14 S CA . 52607 1 69 . 1 . 1 14 14 SER CB C 13 61.084 0.095 . 1 . . . . . 14 S CB . 52607 1 70 . 1 . 1 14 14 SER N N 15 116.438 0.01 . 1 . . . . . 14 S N . 52607 1 71 . 1 . 1 15 15 ALA H H 1 8.207 0.001 . 1 . . . . . 15 A HN . 52607 1 72 . 1 . 1 15 15 ALA CA C 13 49.719 0.054 . 1 . . . . . 15 A CA . 52607 1 73 . 1 . 1 15 15 ALA CB C 13 16.464 0.014 . 1 . . . . . 15 A CB . 52607 1 74 . 1 . 1 15 15 ALA N N 15 125.67 0.012 . 1 . . . . . 15 A N . 52607 1 75 . 1 . 1 16 16 ALA H H 1 8.006 0.001 . 1 . . . . . 16 A HN . 52607 1 76 . 1 . 1 16 16 ALA CA C 13 49.367 0.088 . 1 . . . . . 16 A CA . 52607 1 77 . 1 . 1 16 16 ALA CB C 13 16.548 0.006 . 1 . . . . . 16 A CB . 52607 1 78 . 1 . 1 16 16 ALA N N 15 122.982 0.005 . 1 . . . . . 16 A N . 52607 1 79 . 1 . 1 17 17 ALA H H 1 8.102 0.001 . 1 . . . . . 17 A HN . 52607 1 80 . 1 . 1 17 17 ALA CA C 13 47.684 0 . 1 . . . . . 17 A CA . 52607 1 81 . 1 . 1 17 17 ALA CB C 13 15.397 0 . 1 . . . . . 17 A CB . 52607 1 82 . 1 . 1 17 17 ALA N N 15 124.786 0.008 . 1 . . . . . 17 A N . 52607 1 83 . 1 . 1 18 18 PRO CA C 13 60.363 0.12 . 1 . . . . . 18 P CA . 52607 1 84 . 1 . 1 18 18 PRO CB C 13 29.261 0.131 . 1 . . . . . 18 P CB . 52607 1 85 . 1 . 1 18 18 PRO CG C 13 24.682 0 . 1 . . . . . 18 P CG . 52607 1 86 . 1 . 1 18 18 PRO CD C 13 47.733 0 . 1 . . . . . 18 P CD . 52607 1 87 . 1 . 1 19 19 GLN H H 1 8.06 0.001 . 1 . . . . . 19 Q HN . 52607 1 88 . 1 . 1 19 19 GLN CA C 13 50.23 0 . 1 . . . . . 19 Q CA . 52607 1 89 . 1 . 1 19 19 GLN CB C 13 27.475 0 . 1 . . . . . 19 Q CB . 52607 1 90 . 1 . 1 19 19 GLN N N 15 118.993 0.02 . 1 . . . . . 19 Q N . 52607 1 91 . 1 . 1 36 36 GLN CA C 13 53.034 0.018 . 1 . . . . . 36 Q CA . 52607 1 92 . 1 . 1 36 36 GLN CB C 13 26.616 0.08 . 1 . . . . . 36 Q CB . 52607 1 93 . 1 . 1 36 36 GLN CG C 13 30.995 0 . 1 . . . . . 36 Q CG . 52607 1 94 . 1 . 1 37 37 LEU H H 1 8.208 0.001 . 5 . . . . . 37 L HN . 52607 1 95 . 1 . 1 37 37 LEU CA C 13 52.499 0.125 . 5 . . . . . 37 L CA . 52607 1 96 . 1 . 1 37 37 LEU CB C 13 39.629 0.052 . 5 . . . . . 37 L CB . 52607 1 97 . 1 . 1 37 37 LEU CG C 13 24.308 0 . 5 . . . . . 37 L CG . 52607 1 98 . 1 . 1 37 37 LEU CD1 C 13 22.012 0 . 5 . . . . . 37 L CD . 52607 1 99 . 1 . 1 37 37 LEU CD2 C 13 22.012 0 . 5 . . . . . 37 L CD . 52607 1 100 . 1 . 1 37 37 LEU N N 15 123.522 0.008 . 5 . . . . . 37 L N . 52607 1 101 . 1 . 1 38 38 GLN H H 1 8.286 0.002 . 5 . . . . . 38 Q HN . 52607 1 102 . 1 . 1 38 38 GLN CA C 13 52.869 0 . 5 . . . . . 38 Q CA . 52607 1 103 . 1 . 1 38 38 GLN CB C 13 26.776 0 . 5 . . . . . 38 Q CB . 52607 1 104 . 1 . 1 38 38 GLN N N 15 121.167 0.014 . 5 . . . . . 38 Q N . 52607 1 105 . 1 . 1 42 42 GLN CA C 13 53.034 0.018 . 5 . . . . . 42 Q CA . 52607 1 106 . 1 . 1 42 42 GLN CB C 13 26.616 0.08 . 5 . . . . . 42 Q CB . 52607 1 107 . 1 . 1 42 42 GLN CG C 13 30.995 0 . 5 . . . . . 42 Q CG . 52607 1 108 . 1 . 1 43 43 LEU H H 1 8.208 0.001 . 5 . . . . . 43 L HN . 52607 1 109 . 1 . 1 43 43 LEU CA C 13 52.41 0.005 . 5 . . . . . 43 L CA . 52607 1 110 . 1 . 1 43 43 LEU CB C 13 39.629 0.052 . 5 . . . . . 43 L CB . 52607 1 111 . 1 . 1 43 43 LEU CG C 13 24.308 0 . 5 . . . . . 43 L CG . 52607 1 112 . 1 . 1 43 43 LEU CD1 C 13 22.012 0 . 5 . . . . . 43 L CD . 52607 1 113 . 1 . 1 43 43 LEU CD2 C 13 22.012 0 . 5 . . . . . 43 L CD . 52607 1 114 . 1 . 1 43 43 LEU N N 15 123.522 0.008 . 5 . . . . . 43 L N . 52607 1 115 . 1 . 1 44 44 GLN H H 1 8.286 0.002 . 1 . . . . . 44 Q HN . 52607 1 116 . 1 . 1 44 44 GLN CA C 13 52.881 0 . 1 . . . . . 44 Q CA . 52607 1 117 . 1 . 1 44 44 GLN CB C 13 26.776 0 . 1 . . . . . 44 Q CB . 52607 1 118 . 1 . 1 44 44 GLN N N 15 121.168 0.014 . 1 . . . . . 44 Q N . 52607 1 119 . 1 . 1 54 54 PRO CA C 13 60.648 0.093 . 1 . . . . . 54 P CA . 52607 1 120 . 1 . 1 54 54 PRO CB C 13 29.354 0.03 . 1 . . . . . 54 P CB . 52607 1 121 . 1 . 1 54 54 PRO CG C 13 24.512 0 . 1 . . . . . 54 P CG . 52607 1 122 . 1 . 1 54 54 PRO CD C 13 47.77 0 . 1 . . . . . 54 P CD . 52607 1 123 . 1 . 1 55 55 HIS H H 1 8.335 0.002 . 1 . . . . . 55 H HN . 52607 1 124 . 1 . 1 55 55 HIS CA C 13 53.562 0.038 . 1 . . . . . 55 H CA . 52607 1 125 . 1 . 1 55 55 HIS CB C 13 27.408 0.025 . 1 . . . . . 55 H CB . 52607 1 126 . 1 . 1 55 55 HIS N N 15 118.891 0.012 . 1 . . . . . 55 H N . 52607 1 127 . 1 . 1 56 56 GLN H H 1 8.212 0.001 . 1 . . . . . 56 Q HN . 52607 1 128 . 1 . 1 56 56 GLN CA C 13 53.348 0 . 1 . . . . . 56 Q CA . 52607 1 129 . 1 . 1 56 56 GLN CB C 13 26.909 0 . 1 . . . . . 56 Q CB . 52607 1 130 . 1 . 1 56 56 GLN N N 15 121.467 0.017 . 1 . . . . . 56 Q N . 52607 1 131 . 1 . 1 60 60 GLN CA C 13 53.312 0.032 . 1 . . . . . 60 Q CA . 52607 1 132 . 1 . 1 60 60 GLN CB C 13 26.645 0.065 . 1 . . . . . 60 Q CB . 52607 1 133 . 1 . 1 60 60 GLN CG C 13 30.955 0 . 1 . . . . . 60 Q CG . 52607 1 134 . 1 . 1 61 61 SER H H 1 8.347 0.002 . 1 . . . . . 61 S HN . 52607 1 135 . 1 . 1 61 61 SER CA C 13 55.94 0 . 1 . . . . . 61 S CA . 52607 1 136 . 1 . 1 61 61 SER CB C 13 61.129 0 . 1 . . . . . 61 S CB . 52607 1 137 . 1 . 1 61 61 SER N N 15 116.991 0.02 . 1 . . . . . 61 S N . 52607 1 138 . 1 . 1 62 62 SER H H 1 8.297 0 . 1 . . . . . 62 S HN . 52607 1 139 . 1 . 1 62 62 SER CA C 13 55.781 0 . 1 . . . . . 62 S CA . 52607 1 140 . 1 . 1 62 62 SER CB C 13 60.926 0 . 1 . . . . . 62 S CB . 52607 1 141 . 1 . 1 62 62 SER N N 15 117.715 0 . 1 . . . . . 62 S N . 52607 1 142 . 1 . 1 63 63 ARG H H 1 8.221 0.002 . 1 . . . . . 63 R HN . 52607 1 143 . 1 . 1 63 63 ARG CA C 13 53.555 0 . 1 . . . . . 63 R CA . 52607 1 144 . 1 . 1 63 63 ARG CB C 13 27.906 0.032 . 1 . . . . . 63 R CB . 52607 1 145 . 1 . 1 63 63 ARG CG C 13 24.347 0 . 1 . . . . . 63 R CG . 52607 1 146 . 1 . 1 63 63 ARG CD C 13 40.552 0 . 1 . . . . . 63 R CD . 52607 1 147 . 1 . 1 63 63 ARG N N 15 122.481 0.016 . 1 . . . . . 63 R N . 52607 1 148 . 1 . 1 64 64 GLN H H 1 8.265 0.002 . 1 . . . . . 64 Q HN . 52607 1 149 . 1 . 1 64 64 GLN N N 15 121.372 0.018 . 1 . . . . . 64 Q N . 52607 1 150 . 1 . 1 65 65 GLN H H 1 8.379 0 . 1 . . . . . 65 Q HN . 52607 1 151 . 1 . 1 65 65 GLN N N 15 121.559 0 . 1 . . . . . 65 Q N . 52607 1 152 . 1 . 1 66 66 PRO CA C 13 60.371 0.103 . 1 . . . . . 66 P CA . 52607 1 153 . 1 . 1 66 66 PRO CB C 13 29.41 0.074 . 1 . . . . . 66 P CB . 52607 1 154 . 1 . 1 66 66 PRO CG C 13 24.545 0 . 1 . . . . . 66 P CG . 52607 1 155 . 1 . 1 66 66 PRO CD C 13 47.821 0 . 1 . . . . . 66 P CD . 52607 1 156 . 1 . 1 67 67 SER H H 1 8.454 0.001 . 1 . . . . . 67 S HN . 52607 1 157 . 1 . 1 67 67 SER CA C 13 55.655 0.073 . 1 . . . . . 67 S CA . 52607 1 158 . 1 . 1 67 67 SER CB C 13 61.073 0.077 . 1 . . . . . 67 S CB . 52607 1 159 . 1 . 1 67 67 SER N N 15 116.223 0.01 . 1 . . . . . 67 S N . 52607 1 160 . 1 . 1 68 68 THR H H 1 8.156 0.001 . 1 . . . . . 68 T HN . 52607 1 161 . 1 . 1 68 68 THR CA C 13 59.007 0.128 . 1 . . . . . 68 T CA . 52607 1 162 . 1 . 1 68 68 THR CB C 13 67.054 0.052 . 1 . . . . . 68 T CB . 52607 1 163 . 1 . 1 68 68 THR CG2 C 13 18.714 0 . 1 . . . . . 68 T CG2 . 52607 1 164 . 1 . 1 68 68 THR N N 15 115.308 0.006 . 1 . . . . . 68 T N . 52607 1 165 . 1 . 1 69 69 SER H H 1 8.277 0.004 . 1 . . . . . 69 S HN . 52607 1 166 . 1 . 1 69 69 SER CA C 13 55.721 0.054 . 1 . . . . . 69 S CA . 52607 1 167 . 1 . 1 69 69 SER CB C 13 61.043 0.026 . 1 . . . . . 69 S CB . 52607 1 168 . 1 . 1 69 69 SER N N 15 117.696 0.017 . 1 . . . . . 69 S N . 52607 1 169 . 1 . 1 70 70 SER H H 1 8.3 0.005 . 1 . . . . . 70 S HN . 52607 1 170 . 1 . 1 70 70 SER CA C 13 55.857 0.083 . 1 . . . . . 70 S CA . 52607 1 171 . 1 . 1 70 70 SER CB C 13 61.08 0.07 . 1 . . . . . 70 S CB . 52607 1 172 . 1 . 1 70 70 SER N N 15 117.729 0.02 . 1 . . . . . 70 S N . 52607 1 173 . 1 . 1 71 71 GLY H H 1 8.361 0.004 . 1 . . . . . 71 G HN . 52607 1 174 . 1 . 1 71 71 GLY CA C 13 42.745 0.027 . 1 . . . . . 71 G CA . 52607 1 175 . 1 . 1 71 71 GLY N N 15 110.702 0.019 . 1 . . . . . 71 G N . 52607 1 176 . 1 . 1 72 72 GLY H H 1 8.218 0 . 1 . . . . . 72 G HN . 52607 1 177 . 1 . 1 72 72 GLY CA C 13 42.556 0.092 . 1 . . . . . 72 G CA . 52607 1 178 . 1 . 1 72 72 GLY N N 15 108.541 0.013 . 1 . . . . . 72 G N . 52607 1 179 . 1 . 1 73 73 SER H H 1 8.202 0.001 . 1 . . . . . 73 S HN . 52607 1 180 . 1 . 1 73 73 SER CA C 13 55.733 0.09 . 1 . . . . . 73 S CA . 52607 1 181 . 1 . 1 73 73 SER CB C 13 61.084 0.062 . 1 . . . . . 73 S CB . 52607 1 182 . 1 . 1 73 73 SER N N 15 115.689 0.009 . 1 . . . . . 73 S N . 52607 1 183 . 1 . 1 74 74 ARG H H 1 8.333 0.002 . 1 . . . . . 74 R HN . 52607 1 184 . 1 . 1 74 74 ARG CA C 13 53.426 0.058 . 1 . . . . . 74 R CA . 52607 1 185 . 1 . 1 74 74 ARG CB C 13 27.969 0.061 . 1 . . . . . 74 R CB . 52607 1 186 . 1 . 1 74 74 ARG CG C 13 24.283 0 . 1 . . . . . 74 R CG . 52607 1 187 . 1 . 1 74 74 ARG CD C 13 40.507 0 . 1 . . . . . 74 R CD . 52607 1 188 . 1 . 1 74 74 ARG N N 15 122.91 0.02 . 1 . . . . . 74 R N . 52607 1 189 . 1 . 1 75 75 ALA H H 1 8.217 0.001 . 1 . . . . . 75 A HN . 52607 1 190 . 1 . 1 75 75 ALA CA C 13 49.88 0.031 . 1 . . . . . 75 A CA . 52607 1 191 . 1 . 1 75 75 ALA CB C 13 16.427 0.026 . 1 . . . . . 75 A CB . 52607 1 192 . 1 . 1 75 75 ALA N N 15 124.986 0.011 . 1 . . . . . 75 A N . 52607 1 193 . 1 . 1 76 76 SER H H 1 8.188 0.001 . 1 . . . . . 76 S HN . 52607 1 194 . 1 . 1 76 76 SER CA C 13 55.907 0.092 . 1 . . . . . 76 S CA . 52607 1 195 . 1 . 1 76 76 SER CB C 13 61.172 0.097 . 1 . . . . . 76 S CB . 52607 1 196 . 1 . 1 76 76 SER N N 15 114.987 0.008 . 1 . . . . . 76 S N . 52607 1 197 . 1 . 1 77 77 GLY H H 1 8.258 0.001 . 1 . . . . . 77 G HN . 52607 1 198 . 1 . 1 77 77 GLY CA C 13 42.593 0.082 . 1 . . . . . 77 G CA . 52607 1 199 . 1 . 1 77 77 GLY N N 15 110.313 0.009 . 1 . . . . . 77 G N . 52607 1 200 . 1 . 1 78 78 PHE H H 1 8.013 0.001 . 1 . . . . . 78 F HN . 52607 1 201 . 1 . 1 78 78 PHE CA C 13 55.213 0.023 . 1 . . . . . 78 F CA . 52607 1 202 . 1 . 1 78 78 PHE CB C 13 36.824 0.038 . 1 . . . . . 78 F CB . 52607 1 203 . 1 . 1 78 78 PHE N N 15 120.026 0.003 . 1 . . . . . 78 F N . 52607 1 204 . 1 . 1 79 79 GLN H H 1 8.238 0.002 . 1 . . . . . 79 Q HN . 52607 1 205 . 1 . 1 79 79 GLN CA C 13 52.99 0.082 . 1 . . . . . 79 Q CA . 52607 1 206 . 1 . 1 79 79 GLN CB C 13 26.66 0.007 . 1 . . . . . 79 Q CB . 52607 1 207 . 1 . 1 79 79 GLN CG C 13 30.841 0 . 1 . . . . . 79 Q CG . 52607 1 208 . 1 . 1 79 79 GLN N N 15 122.422 0.011 . 1 . . . . . 79 Q N . 52607 1 209 . 1 . 1 80 80 GLN H H 1 8.312 0.002 . 1 . . . . . 80 Q HN . 52607 1 210 . 1 . 1 80 80 GLN CA C 13 53.381 0.047 . 1 . . . . . 80 Q CA . 52607 1 211 . 1 . 1 80 80 GLN CB C 13 26.584 0.09 . 1 . . . . . 80 Q CB . 52607 1 212 . 1 . 1 80 80 GLN CG C 13 30.966 0 . 1 . . . . . 80 Q CG . 52607 1 213 . 1 . 1 80 80 GLN N N 15 121.758 0.015 . 1 . . . . . 80 Q N . 52607 1 214 . 1 . 1 81 81 GLY H H 1 8.41 0.004 . 1 . . . . . 81 G HN . 52607 1 215 . 1 . 1 81 81 GLY CA C 13 42.64 0 . 1 . . . . . 81 G CA . 52607 1 216 . 1 . 1 81 81 GLY N N 15 110.368 0.007 . 1 . . . . . 81 G N . 52607 1 217 . 1 . 1 82 82 GLY H H 1 8.19 0 . 1 . . . . . 82 G HN . 52607 1 218 . 1 . 1 82 82 GLY N N 15 108.676 0 . 1 . . . . . 82 G N . 52607 1 219 . 1 . 1 86 86 LYS CA C 13 53.63 0.036 . 1 . . . . . 86 K CA . 52607 1 220 . 1 . 1 86 86 LYS CB C 13 30.366 0.054 . 1 . . . . . 86 K CB . 52607 1 221 . 1 . 1 86 86 LYS CG C 13 21.913 0 . 1 . . . . . 86 K CG . 52607 1 222 . 1 . 1 86 86 LYS CD C 13 26.222 0 . 1 . . . . . 86 K CD . 52607 1 223 . 1 . 1 86 86 LYS CE C 13 39.309 0 . 1 . . . . . 86 K CE . 52607 1 224 . 1 . 1 87 87 SER H H 1 8.316 0.001 . 1 . . . . . 87 S HN . 52607 1 225 . 1 . 1 87 87 SER CA C 13 55.816 0.111 . 1 . . . . . 87 S CA . 52607 1 226 . 1 . 1 87 87 SER CB C 13 61.011 0.078 . 1 . . . . . 87 S CB . 52607 1 227 . 1 . 1 87 87 SER N N 15 117.353 0.027 . 1 . . . . . 87 S N . 52607 1 228 . 1 . 1 88 88 GLN H H 1 8.414 0.001 . 1 . . . . . 88 Q HN . 52607 1 229 . 1 . 1 88 88 GLN CA C 13 53.465 0.047 . 1 . . . . . 88 Q CA . 52607 1 230 . 1 . 1 88 88 GLN CB C 13 26.595 0.086 . 1 . . . . . 88 Q CB . 52607 1 231 . 1 . 1 88 88 GLN CG C 13 30.998 0 . 1 . . . . . 88 Q CG . 52607 1 232 . 1 . 1 88 88 GLN N N 15 122.095 0.007 . 1 . . . . . 88 Q N . 52607 1 233 . 1 . 1 89 89 ASP H H 1 8.182 0.002 . 1 . . . . . 89 D HN . 52607 1 234 . 1 . 1 89 89 ASP CA C 13 51.825 0.026 . 1 . . . . . 89 D CA . 52607 1 235 . 1 . 1 89 89 ASP CB C 13 38.431 0.03 . 1 . . . . . 89 D CB . 52607 1 236 . 1 . 1 89 89 ASP N N 15 121.046 0.025 . 1 . . . . . 89 D N . 52607 1 237 . 1 . 1 90 90 ALA H H 1 8.086 0.001 . 1 . . . . . 90 A HN . 52607 1 238 . 1 . 1 90 90 ALA CA C 13 50.212 0.059 . 1 . . . . . 90 A CA . 52607 1 239 . 1 . 1 90 90 ALA CB C 13 16.48 0.023 . 1 . . . . . 90 A CB . 52607 1 240 . 1 . 1 90 90 ALA N N 15 123.945 0.005 . 1 . . . . . 90 A N . 52607 1 241 . 1 . 1 91 91 GLU H H 1 8.253 0.001 . 1 . . . . . 91 E HN . 52607 1 242 . 1 . 1 91 91 GLU CA C 13 54.38 0.095 . 1 . . . . . 91 E CA . 52607 1 243 . 1 . 1 91 91 GLU CB C 13 27.271 0.034 . 1 . . . . . 91 E CB . 52607 1 244 . 1 . 1 91 91 GLU CG C 13 33.521 0 . 1 . . . . . 91 E CG . 52607 1 245 . 1 . 1 91 91 GLU N N 15 119.331 0.01 . 1 . . . . . 91 E N . 52607 1 246 . 1 . 1 92 92 GLY H H 1 8.239 0.001 . 1 . . . . . 92 G HN . 52607 1 247 . 1 . 1 92 92 GLY CA C 13 42.865 0.06 . 1 . . . . . 92 G CA . 52607 1 248 . 1 . 1 92 92 GLY N N 15 109.219 0.007 . 1 . . . . . 92 G N . 52607 1 249 . 1 . 1 93 93 TRP H H 1 8.001 0.001 . 1 . . . . . 93 W HN . 52607 1 250 . 1 . 1 93 93 TRP HE1 H 1 10.03 0 . 1 . . . . . 93 W HE1 . 52607 1 251 . 1 . 1 93 93 TRP CA C 13 55.363 0.016 . 1 . . . . . 93 W CA . 52607 1 252 . 1 . 1 93 93 TRP CB C 13 26.73 0.042 . 1 . . . . . 93 W CB . 52607 1 253 . 1 . 1 93 93 TRP N N 15 121.208 0.006 . 1 . . . . . 93 W N . 52607 1 254 . 1 . 1 93 93 TRP NE1 N 15 129.333 0 . 1 . . . . . 93 W NE1 . 52607 1 255 . 1 . 1 94 94 THR H H 1 7.71 0.001 . 1 . . . . . 94 T HN . 52607 1 256 . 1 . 1 94 94 THR CA C 13 59.31 0.193 . 1 . . . . . 94 T CA . 52607 1 257 . 1 . 1 94 94 THR CB C 13 67.23 0.022 . 1 . . . . . 94 T CB . 52607 1 258 . 1 . 1 94 94 THR CG2 C 13 18.554 0 . 1 . . . . . 94 T CG2 . 52607 1 259 . 1 . 1 94 94 THR N N 15 115.268 0.004 . 1 . . . . . 94 T N . 52607 1 260 . 1 . 1 95 95 ALA H H 1 7.978 0.001 . 1 . . . . . 95 A HN . 52607 1 261 . 1 . 1 95 95 ALA CA C 13 50.37 0.049 . 1 . . . . . 95 A CA . 52607 1 262 . 1 . 1 95 95 ALA CB C 13 16.143 0.033 . 1 . . . . . 95 A CB . 52607 1 263 . 1 . 1 95 95 ALA N N 15 125.051 0.006 . 1 . . . . . 95 A N . 52607 1 264 . 1 . 1 96 96 GLN H H 1 8.042 0.001 . 1 . . . . . 96 Q HN . 52607 1 265 . 1 . 1 96 96 GLN CA C 13 53.572 0.031 . 1 . . . . . 96 Q CA . 52607 1 266 . 1 . 1 96 96 GLN CB C 13 26.483 0.017 . 1 . . . . . 96 Q CB . 52607 1 267 . 1 . 1 96 96 GLN CG C 13 31.081 0 . 1 . . . . . 96 Q CG . 52607 1 268 . 1 . 1 96 96 GLN N N 15 118.386 0.004 . 1 . . . . . 96 Q N . 52607 1 269 . 1 . 1 97 97 LYS H H 1 8.085 0.001 . 1 . . . . . 97 K HN . 52607 1 270 . 1 . 1 97 97 LYS CB C 13 30.199 0 . 1 . . . . . 97 K CB . 52607 1 271 . 1 . 1 97 97 LYS CG C 13 22.018 0 . 1 . . . . . 97 K CG . 52607 1 272 . 1 . 1 97 97 LYS N N 15 121.958 0.009 . 1 . . . . . 97 K N . 52607 1 273 . 1 . 1 98 98 LYS H H 1 8.344 0.001 . 1 . . . . . 98 K HN . 52607 1 274 . 1 . 1 98 98 LYS CB C 13 30.192 0 . 1 . . . . . 98 K CB . 52607 1 275 . 1 . 1 98 98 LYS N N 15 121.247 0.015 . 1 . . . . . 98 K N . 52607 1 276 . 1 . 1 103 103 GLN CA C 13 53.037 0.024 . 1 . . . . . 103 Q CA . 52607 1 277 . 1 . 1 103 103 GLN CB C 13 26.674 0.09 . 1 . . . . . 103 Q CB . 52607 1 278 . 1 . 1 103 103 GLN CG C 13 30.932 0 . 1 . . . . . 103 Q CG . 52607 1 279 . 1 . 1 104 104 VAL H H 1 8.113 0.001 . 1 . . . . . 104 V HN . 52607 1 280 . 1 . 1 104 104 VAL CA C 13 59.627 0.112 . 1 . . . . . 104 V CA . 52607 1 281 . 1 . 1 104 104 VAL CB C 13 30.062 0.054 . 1 . . . . . 104 V CB . 52607 1 282 . 1 . 1 104 104 VAL CG1 C 13 18.018 0 . 1 . . . . . 104 V CG1 . 52607 1 283 . 1 . 1 104 104 VAL CG2 C 13 18.018 0 . 1 . . . . . 104 V CG2 . 52607 1 284 . 1 . 1 104 104 VAL N N 15 121.626 0.008 . 1 . . . . . 104 V N . 52607 1 285 . 1 . 1 105 105 GLN H H 1 8.406 0.001 . 1 . . . . . 105 Q HN . 52607 1 286 . 1 . 1 105 105 GLN CA C 13 53.357 0.016 . 1 . . . . . 105 Q CA . 52607 1 287 . 1 . 1 105 105 GLN CB C 13 26.58 0.057 . 1 . . . . . 105 Q CB . 52607 1 288 . 1 . 1 105 105 GLN CG C 13 30.949 0 . 1 . . . . . 105 Q CG . 52607 1 289 . 1 . 1 105 105 GLN N N 15 124.148 0.009 . 1 . . . . . 105 Q N . 52607 1 290 . 1 . 1 106 106 GLY H H 1 8.354 0.001 . 1 . . . . . 106 G HN . 52607 1 291 . 1 . 1 106 106 GLY CA C 13 42.618 0.036 . 1 . . . . . 106 G CA . 52607 1 292 . 1 . 1 106 106 GLY N N 15 110.479 0.008 . 1 . . . . . 106 G N . 52607 1 293 . 1 . 1 107 107 TRP H H 1 7.935 0 . 1 . . . . . 107 W HN . 52607 1 294 . 1 . 1 107 107 TRP HE1 H 1 10.03 0 . 1 . . . . . 107 W HE1 . 52607 1 295 . 1 . 1 107 107 TRP CA C 13 54.793 0.016 . 1 . . . . . 107 W CA . 52607 1 296 . 1 . 1 107 107 TRP CB C 13 26.92 0.021 . 1 . . . . . 107 W CB . 52607 1 297 . 1 . 1 107 107 TRP N N 15 120.756 0.003 . 1 . . . . . 107 W N . 52607 1 298 . 1 . 1 107 107 TRP NE1 N 15 129.333 0 . 1 . . . . . 107 W NE1 . 52607 1 299 . 1 . 1 108 108 THR H H 1 7.805 0.001 . 1 . . . . . 108 T HN . 52607 1 300 . 1 . 1 108 108 THR CA C 13 58.798 0.037 . 1 . . . . . 108 T CA . 52607 1 301 . 1 . 1 108 108 THR CB C 13 67.444 0.041 . 1 . . . . . 108 T CB . 52607 1 302 . 1 . 1 108 108 THR CG2 C 13 18.512 0 . 1 . . . . . 108 T CG2 . 52607 1 303 . 1 . 1 108 108 THR N N 15 116.072 0.004 . 1 . . . . . 108 T N . 52607 1 304 . 1 . 1 109 109 LYS H H 1 8.034 0.001 . 1 . . . . . 109 K HN . 52607 1 305 . 1 . 1 109 109 LYS CA C 13 53.761 0.024 . 1 . . . . . 109 K CA . 52607 1 306 . 1 . 1 109 109 LYS CB C 13 30.174 0.002 . 1 . . . . . 109 K CB . 52607 1 307 . 1 . 1 109 109 LYS CG C 13 21.95 0 . 1 . . . . . 109 K CG . 52607 1 308 . 1 . 1 109 109 LYS N N 15 123.228 0.005 . 1 . . . . . 109 K N . 52607 1 309 . 1 . 1 110 110 GLN H H 1 8.286 0.001 . 1 . . . . . 110 Q HN . 52607 1 310 . 1 . 1 110 110 GLN CB C 13 26.632 0 . 1 . . . . . 110 Q CB . 52607 1 311 . 1 . 1 110 110 GLN N N 15 121.722 0.016 . 1 . . . . . 110 Q N . 52607 1 312 . 1 . 1 111 111 GLY H H 1 8.354 0 . 1 . . . . . 111 G HN . 52607 1 313 . 1 . 1 111 111 GLY CA C 13 42.577 0.088 . 1 . . . . . 111 G CA . 52607 1 314 . 1 . 1 111 111 GLY N N 15 110.49 0.005 . 1 . . . . . 111 G N . 52607 1 315 . 1 . 1 112 112 GLN H H 1 8.108 0.001 . 1 . . . . . 112 Q HN . 52607 1 316 . 1 . 1 112 112 GLN CA C 13 53.127 0.016 . 1 . . . . . 112 Q CA . 52607 1 317 . 1 . 1 112 112 GLN CB C 13 26.979 0.083 . 1 . . . . . 112 Q CB . 52607 1 318 . 1 . 1 112 112 GLN CG C 13 31.048 0 . 1 . . . . . 112 Q CG . 52607 1 319 . 1 . 1 112 112 GLN N N 15 120.095 0.004 . 1 . . . . . 112 Q N . 52607 1 320 . 1 . 1 113 113 GLN H H 1 8.01 0.001 . 1 . . . . . 113 Q HN . 52607 1 321 . 1 . 1 113 113 GLN CA C 13 54.758 0 . 1 . . . . . 113 Q CA . 52607 1 322 . 1 . 1 113 113 GLN CB C 13 27.642 0 . 1 . . . . . 113 Q CB . 52607 1 323 . 1 . 1 113 113 GLN N N 15 126.904 0.006 . 1 . . . . . 113 Q N . 52607 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 52607 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name Ago2_Nterm_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 950 _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 8 '1H-15N heteronoe' . . . 52607 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 . . 52607 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 MET N N 15 . 1 1 1 1 MET HN H 1 -0.528400 0.008838 . . . . . . . . . . 52607 1 2 . 1 1 2 2 GLY N N 15 . 1 1 2 2 GLY HN H 1 0.112809 0.002044 . . . . . . . . . . 52607 1 3 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS HN H 1 0.328269 0.002696 . . . . . . . . . . 52607 1 4 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS HN H 1 0.393302 0.003418 . . . . . . . . . . 52607 1 5 . 1 1 5 5 ASP N N 15 . 1 1 5 5 ASP HN H 1 0.305049 0.002095 . . . . . . . . . . 52607 1 6 . 1 1 6 6 LYS N N 15 . 1 1 6 6 LYS HN H 1 0.317476 0.002308 . . . . . . . . . . 52607 1 7 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN HN H 1 0.379668 0.004602 . . . . . . . . . . 52607 1 8 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS HN H 1 0.368581 0.003242 . . . . . . . . . . 52607 1 9 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS HN H 1 0.309826 0.000874 . . . . . . . . . . 52607 1 10 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY HN H 1 0.112809 0.002044 . . . . . . . . . . 52607 1 11 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY HN H 1 0.180085 0.002588 . . . . . . . . . . 52607 1 12 . 1 1 12 12 GLN N N 15 . 1 1 12 12 GLN HN H 1 0.227445 0.002794 . . . . . . . . . . 52607 1 13 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP HN H 1 0.222927 0.000365 . . . . . . . . . . 52607 1 14 . 1 1 14 14 SER N N 15 . 1 1 14 14 SER HN H 1 0.150702 0.002397 . . . . . . . . . . 52607 1 15 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA HN H 1 0.167775 0.001833 . . . . . . . . . . 52607 1 16 . 1 1 16 16 ALA N N 15 . 1 1 16 16 ALA HN H 1 0.063578 0.001421 . . . . . . . . . . 52607 1 17 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA HN H 1 0.237362 0.001530 . . . . . . . . . . 52607 1 18 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN HN H 1 0.348292 0.011690 . . . . . . . . . . 52607 1 19 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU HN H 1 0.244326 0.001308 . . . . . . . . . . 52607 1 20 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN HN H 1 0.318340 0.001235 . . . . . . . . . . 52607 1 21 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU HN H 1 0.244326 0.001308 . . . . . . . . . . 52607 1 22 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN HN H 1 0.318340 0.001235 . . . . . . . . . . 52607 1 23 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS HN H 1 0.331478 0.004905 . . . . . . . . . . 52607 1 24 . 1 1 56 56 GLN N N 15 . 1 1 56 56 GLN HN H 1 0.335925 0.004337 . . . . . . . . . . 52607 1 25 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER HN H 1 0.263435 0.006714 . . . . . . . . . . 52607 1 26 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER HN H 1 0.268408 0.006129 . . . . . . . . . . 52607 1 27 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG HN H 1 0.266101 0.002316 . . . . . . . . . . 52607 1 28 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN HN H 1 0.358915 0.002168 . . . . . . . . . . 52607 1 29 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN HN H 1 0.225402 0.000378 . . . . . . . . . . 52607 1 30 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER HN H 1 0.218296 0.004032 . . . . . . . . . . 52607 1 31 . 1 1 68 68 THR N N 15 . 1 1 68 68 THR HN H 1 0.227794 0.005097 . . . . . . . . . . 52607 1 32 . 1 1 69 69 SER N N 15 . 1 1 69 69 SER HN H 1 0.255901 0.005464 . . . . . . . . . . 52607 1 33 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER HN H 1 0.268408 0.006129 . . . . . . . . . . 52607 1 34 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY HN H 1 0.150323 0.002057 . . . . . . . . . . 52607 1 35 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY HN H 1 0.241697 0.002323 . . . . . . . . . . 52607 1 36 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER HN H 1 0.150898 0.004672 . . . . . . . . . . 52607 1 37 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG HN H 1 0.180374 0.000729 . . . . . . . . . . 52607 1 38 . 1 1 75 75 ALA N N 15 . 1 1 75 75 ALA HN H 1 0.228354 0.002617 . . . . . . . . . . 52607 1 39 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER HN H 1 0.198830 0.002632 . . . . . . . . . . 52607 1 40 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY HN H 1 0.252320 0.002929 . . . . . . . . . . 52607 1 41 . 1 1 78 78 PHE N N 15 . 1 1 78 78 PHE HN H 1 0.339593 0.002087 . . . . . . . . . . 52607 1 42 . 1 1 79 79 GLN N N 15 . 1 1 79 79 GLN HN H 1 0.263825 0.001682 . . . . . . . . . . 52607 1 43 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN HN H 1 0.303325 0.001982 . . . . . . . . . . 52607 1 44 . 1 1 81 81 GLY N N 15 . 1 1 81 81 GLY HN H 1 0.219322 0.002204 . . . . . . . . . . 52607 1 45 . 1 1 82 82 GLY N N 15 . 1 1 82 82 GLY HN H 1 0.128459 0.002900 . . . . . . . . . . 52607 1 46 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER HN H 1 0.396342 0.003056 . . . . . . . . . . 52607 1 47 . 1 1 88 88 GLN N N 15 . 1 1 88 88 GLN HN H 1 0.253854 0.001282 . . . . . . . . . . 52607 1 48 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP HN H 1 0.361081 0.001660 . . . . . . . . . . 52607 1 49 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA HN H 1 0.469262 0.001984 . . . . . . . . . . 52607 1 50 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU HN H 1 0.366288 0.001342 . . . . . . . . . . 52607 1 51 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY HN H 1 0.396173 0.002518 . . . . . . . . . . 52607 1 52 . 1 1 93 93 TRP N N 15 . 1 1 93 93 TRP HN H 1 0.498298 0.002644 . . . . . . . . . . 52607 1 53 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR HN H 1 0.561517 0.003570 . . . . . . . . . . 52607 1 54 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA HN H 1 0.470801 0.003131 . . . . . . . . . . 52607 1 55 . 1 1 96 96 GLN N N 15 . 1 1 96 96 GLN HN H 1 0.465061 0.003116 . . . . . . . . . . 52607 1 56 . 1 1 97 97 LYS N N 15 . 1 1 97 97 LYS HN H 1 0.485349 0.003369 . . . . . . . . . . 52607 1 57 . 1 1 98 98 LYS N N 15 . 1 1 98 98 LYS HN H 1 0.306122 0.002064 . . . . . . . . . . 52607 1 58 . 1 1 99 99 GLN N N 15 . 1 1 99 99 GLN HN H 1 0.338331 0.000540 . . . . . . . . . . 52607 1 59 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY HN H 1 0.158763 0.001481 . . . . . . . . . . 52607 1 60 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL HN H 1 0.414717 0.002395 . . . . . . . . . . 52607 1 61 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN HN H 1 0.299421 0.002559 . . . . . . . . . . 52607 1 62 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY HN H 1 0.158763 0.001481 . . . . . . . . . . 52607 1 63 . 1 1 107 107 TRP N N 15 . 1 1 107 107 TRP HN H 1 0.430026 0.002242 . . . . . . . . . . 52607 1 64 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR HN H 1 0.318050 0.002985 . . . . . . . . . . 52607 1 65 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS HN H 1 0.292265 0.002675 . . . . . . . . . . 52607 1 66 . 1 1 110 110 GLN N N 15 . 1 1 110 110 GLN HN H 1 0.268489 0.001729 . . . . . . . . . . 52607 1 67 . 1 1 111 111 GLY N N 15 . 1 1 111 111 GLY HN H 1 0.158763 0.001481 . . . . . . . . . . 52607 1 68 . 1 1 112 112 GLN N N 15 . 1 1 112 112 GLN HN H 1 0.044023 0.002041 . . . . . . . . . . 52607 1 69 . 1 1 113 113 GLN N N 15 . 1 1 113 113 GLN HN H 1 -0.859369 0.002345 . . . . . . . . . . 52607 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 52607 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name Ago2_Nterm_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 500 _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 9 'T2/R2 relaxation' . . . 52607 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 . . 52607 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 MET N N 15 722.1 62.00 . . . . . . . 52607 1 2 . 1 1 2 2 GLY N N 15 559.7 24.70 . . . . . . . 52607 1 3 . 1 1 3 3 LYS N N 15 428.0 14.80 . . . . . . . 52607 1 4 . 1 1 4 4 LYS N N 15 398.2 19.60 . . . . . . . 52607 1 5 . 1 1 5 5 ASP N N 15 517.5 16.10 . . . . . . . 52607 1 6 . 1 1 6 6 LYS N N 15 519.5 38.10 . . . . . . . 52607 1 7 . 1 1 7 7 ASN N N 15 427.6 28.20 . . . . . . . 52607 1 8 . 1 1 8 8 LYS N N 15 489.2 26.30 . . . . . . . 52607 1 9 . 1 1 9 9 LYS N N 15 492.8 20.90 . . . . . . . 52607 1 10 . 1 1 10 10 GLY N N 15 559.7 16.10 . . . . . . . 52607 1 11 . 1 1 11 11 GLY N N 15 566.7 16.80 . . . . . . . 52607 1 12 . 1 1 12 12 GLN N N 15 497.7 27.00 . . . . . . . 52607 1 13 . 1 1 13 13 ASP N N 15 435.2 17.30 . . . . . . . 52607 1 14 . 1 1 14 14 SER N N 15 572.0 25.80 . . . . . . . 52607 1 15 . 1 1 15 15 ALA N N 15 530.9 38.00 . . . . . . . 52607 1 16 . 1 1 16 16 ALA N N 15 583.5 13.10 . . . . . . . 52607 1 17 . 1 1 17 17 ALA N N 15 523.8 11.60 . . . . . . . 52607 1 18 . 1 1 19 19 GLN N N 15 463.1 13.90 . . . . . . . 52607 1 19 . 1 1 37 37 LEU N N 15 422.0 23.60 . . . . . . . 52607 1 20 . 1 1 38 38 GLN N N 15 417.6 15.50 . . . . . . . 52607 1 21 . 1 1 43 43 LEU N N 15 422.0 21.80 . . . . . . . 52607 1 22 . 1 1 44 44 GLN N N 15 417.6 12.40 . . . . . . . 52607 1 23 . 1 1 55 55 HIS N N 15 371.4 14.50 . . . . . . . 52607 1 24 . 1 1 61 61 SER N N 15 426.2 42.90 . . . . . . . 52607 1 25 . 1 1 62 62 SER N N 15 446.6 26.00 . . . . . . . 52607 1 26 . 1 1 63 63 ARG N N 15 479.7 14.70 . . . . . . . 52607 1 27 . 1 1 64 64 GLN N N 15 477.2 26.70 . . . . . . . 52607 1 28 . 1 1 65 65 GLN N N 15 412.4 10.70 . . . . . . . 52607 1 29 . 1 1 67 67 SER N N 15 466.6 14.40 . . . . . . . 52607 1 30 . 1 1 68 68 THR N N 15 483.4 13.20 . . . . . . . 52607 1 31 . 1 1 69 69 SER N N 15 436.0 12.20 . . . . . . . 52607 1 32 . 1 1 70 70 SER N N 15 433.9 22.50 . . . . . . . 52607 1 33 . 1 1 71 71 GLY N N 15 521.2 31.00 . . . . . . . 52607 1 34 . 1 1 72 72 GLY N N 15 525.1 13.20 . . . . . . . 52607 1 35 . 1 1 73 73 SER N N 15 556.6 33.30 . . . . . . . 52607 1 36 . 1 1 74 74 ARG N N 15 515.2 35.50 . . . . . . . 52607 1 37 . 1 1 75 75 ALA N N 15 487.8 40.20 . . . . . . . 52607 1 38 . 1 1 76 76 SER N N 15 540.6 13.90 . . . . . . . 52607 1 39 . 1 1 77 77 GLY N N 15 526.4 17.90 . . . . . . . 52607 1 40 . 1 1 78 78 PHE N N 15 488.6 35.90 . . . . . . . 52607 1 41 . 1 1 79 79 GLN N N 15 474.3 14.40 . . . . . . . 52607 1 42 . 1 1 80 80 GLN N N 15 490.1 19.10 . . . . . . . 52607 1 43 . 1 1 81 81 GLY N N 15 544.4 15.90 . . . . . . . 52607 1 44 . 1 1 82 82 GLY N N 15 607.3 43.10 . . . . . . . 52607 1 45 . 1 1 87 87 SER N N 15 404.9 22.10 . . . . . . . 52607 1 46 . 1 1 88 88 GLN N N 15 457.8 43.70 . . . . . . . 52607 1 47 . 1 1 89 89 ASP N N 15 412.8 7.47 . . . . . . . 52607 1 48 . 1 1 90 90 ALA N N 15 427.5 14.20 . . . . . . . 52607 1 49 . 1 1 91 91 GLU N N 15 397.6 13.10 . . . . . . . 52607 1 50 . 1 1 92 92 GLY N N 15 396.6 7.03 . . . . . . . 52607 1 51 . 1 1 93 93 TRP N N 15 361.5 15.30 . . . . . . . 52607 1 52 . 1 1 94 94 THR N N 15 354.2 11.60 . . . . . . . 52607 1 53 . 1 1 95 95 ALA N N 15 346.4 10.90 . . . . . . . 52607 1 54 . 1 1 96 96 GLN N N 15 363.7 7.01 . . . . . . . 52607 1 55 . 1 1 97 97 LYS N N 15 374.8 14.60 . . . . . . . 52607 1 56 . 1 1 100 100 GLY N N 15 572.7 17.20 . . . . . . . 52607 1 57 . 1 1 104 104 VAL N N 15 469.4 17.90 . . . . . . . 52607 1 58 . 1 1 105 105 GLN N N 15 453.8 15.80 . . . . . . . 52607 1 59 . 1 1 106 106 GLY N N 15 572.7 23.10 . . . . . . . 52607 1 60 . 1 1 107 107 TRP N N 15 455.1 14.20 . . . . . . . 52607 1 61 . 1 1 108 108 THR N N 15 464.1 12.60 . . . . . . . 52607 1 62 . 1 1 109 109 LYS N N 15 477.3 10.80 . . . . . . . 52607 1 63 . 1 1 110 110 GLN N N 15 518.6 27.00 . . . . . . . 52607 1 64 . 1 1 111 111 GLY N N 15 572.7 23.70 . . . . . . . 52607 1 65 . 1 1 112 112 GLN N N 15 669.9 35.70 . . . . . . . 52607 1 66 . 1 1 113 113 GLN N N 15 1096.0 26.10 . . . . . . . 52607 1 stop_ save_