data_51786 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51786 _Entry.Title ; Rec114:Mei4 minimal structured complex at pH 6.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-18 _Entry.Accession_date 2023-01-18 _Entry.Last_release_date 2023-01-18 _Entry.Original_release_date 2023-01-18 _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 'Solution NMR assignments for the 2:1 complex of the C-terminus of Rec114(388-428) and N-terminus of Mei4(13-43).' _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 Kaixian Liu . . . . 51786 2 Emily Grasso . M. . . 51786 3 Stephen Pu . . . . 51786 4 Shixin Liu . . . . 51786 5 David Eliezer . . . . 51786 6 Scott Keeney . . . . 51786 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Weill Cornell Medicine' . 51786 2 . 'Memorial Sloan Kettering Cancer Center' . 51786 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 51786 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 51786 '15N chemical shifts' 109 51786 '1H chemical shifts' 109 51786 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 . . 2023-03-07 . original BMRB . 51786 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51787 'Solution NMR assignments for the 2:1 complex of the C-terminus of Rec114(375-428) and N-terminus of Mei4(1-43).' 51786 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51786 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36711595 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure and DNA bridging activity of the essential Rec114-Mei4 trimer interface ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _Citation.Journal_name_full 'bioRxiv : the preprint server for biology' _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 2023 _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 Kaixian Liu . . . . 51786 1 2 Emily Grasso . M. . . 51786 1 3 Stephen Pu . . . . 51786 1 4 Shixin Liu . . . . 51786 1 5 David Eliezer . . . . 51786 1 6 Scott Keeney . . . . 51786 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51786 _Assembly.ID 1 _Assembly.Name 'Rec114:Mei4 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 14000 _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 Mei4 1 $entity_1 . . yes native no no . . . 51786 1 2 Rec114 2 $entity_2 . . yes native no no . . . 51786 1 3 Rec114b 2 $entity_2 . . yes native no no . . . 51786 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51786 _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 ; SETSEVDWIICFALIQSRNP TLWKRALSRKKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Begins at residue E13 of Mei4, with the initial S leftover from cleavage of N-terminal tag' _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; These proteins are part of a heterotrimeric complex with two copies of the C-terminus of Rec114 that have distinct chemical shifts and one copy of the N-terminus of Mei4. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 51786 1 2 13 GLU . 51786 1 3 14 THR . 51786 1 4 15 SER . 51786 1 5 16 GLU . 51786 1 6 17 VAL . 51786 1 7 18 ASP . 51786 1 8 19 TRP . 51786 1 9 20 ILE . 51786 1 10 21 ILE . 51786 1 11 22 CYS . 51786 1 12 23 PHE . 51786 1 13 24 ALA . 51786 1 14 25 LEU . 51786 1 15 26 ILE . 51786 1 16 27 GLN . 51786 1 17 28 SER . 51786 1 18 29 ARG . 51786 1 19 30 ASN . 51786 1 20 31 PRO . 51786 1 21 32 THR . 51786 1 22 33 LEU . 51786 1 23 34 TRP . 51786 1 24 35 LYS . 51786 1 25 36 ARG . 51786 1 26 37 ALA . 51786 1 27 38 LEU . 51786 1 28 39 SER . 51786 1 29 40 ARG . 51786 1 30 41 LYS . 51786 1 31 42 LYS . 51786 1 32 43 GLY . 51786 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 51786 1 . GLU 2 2 51786 1 . THR 3 3 51786 1 . SER 4 4 51786 1 . GLU 5 5 51786 1 . VAL 6 6 51786 1 . ASP 7 7 51786 1 . TRP 8 8 51786 1 . ILE 9 9 51786 1 . ILE 10 10 51786 1 . CYS 11 11 51786 1 . PHE 12 12 51786 1 . ALA 13 13 51786 1 . LEU 14 14 51786 1 . ILE 15 15 51786 1 . GLN 16 16 51786 1 . SER 17 17 51786 1 . ARG 18 18 51786 1 . ASN 19 19 51786 1 . PRO 20 20 51786 1 . THR 21 21 51786 1 . LEU 22 22 51786 1 . TRP 23 23 51786 1 . LYS 24 24 51786 1 . ARG 25 25 51786 1 . ALA 26 26 51786 1 . LEU 27 27 51786 1 . SER 28 28 51786 1 . ARG 29 29 51786 1 . LYS 30 30 51786 1 . LYS 31 31 51786 1 . GLY 32 32 51786 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51786 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MNVNRNASRKISKRLIKEKL KDEEFIKWVNKVETVLNKMF EK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Begins at residue N388, with the initial M leftover from cleavage of N-terminal tag' _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 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'Residues 388-428 of Rec114' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; These proteins are part of a heterotrimeric complex with two copies of the C-terminus of Rec114 that have distinct chemical shifts and one copy of the N-terminus of Mei4. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51786 2 2 388 ASN . 51786 2 3 389 VAL . 51786 2 4 390 ASN . 51786 2 5 391 ARG . 51786 2 6 392 ASN . 51786 2 7 393 ALA . 51786 2 8 394 SER . 51786 2 9 395 ARG . 51786 2 10 396 LYS . 51786 2 11 397 ILE . 51786 2 12 398 SER . 51786 2 13 399 LYS . 51786 2 14 400 ARG . 51786 2 15 401 LEU . 51786 2 16 402 ILE . 51786 2 17 403 LYS . 51786 2 18 404 GLU . 51786 2 19 405 LYS . 51786 2 20 406 LEU . 51786 2 21 407 LYS . 51786 2 22 408 ASP . 51786 2 23 409 GLU . 51786 2 24 410 GLU . 51786 2 25 411 PHE . 51786 2 26 412 ILE . 51786 2 27 413 LYS . 51786 2 28 414 TRP . 51786 2 29 415 VAL . 51786 2 30 416 ASN . 51786 2 31 417 LYS . 51786 2 32 418 VAL . 51786 2 33 419 GLU . 51786 2 34 420 THR . 51786 2 35 421 VAL . 51786 2 36 422 LEU . 51786 2 37 423 ASN . 51786 2 38 424 LYS . 51786 2 39 425 MET . 51786 2 40 426 PHE . 51786 2 41 427 GLU . 51786 2 42 428 LYS . 51786 2 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 51786 2 . ASN 2 2 51786 2 . VAL 3 3 51786 2 . ASN 4 4 51786 2 . ARG 5 5 51786 2 . ASN 6 6 51786 2 . ALA 7 7 51786 2 . SER 8 8 51786 2 . ARG 9 9 51786 2 . LYS 10 10 51786 2 . ILE 11 11 51786 2 . SER 12 12 51786 2 . LYS 13 13 51786 2 . ARG 14 14 51786 2 . LEU 15 15 51786 2 . ILE 16 16 51786 2 . LYS 17 17 51786 2 . GLU 18 18 51786 2 . LYS 19 19 51786 2 . LEU 20 20 51786 2 . LYS 21 21 51786 2 . ASP 22 22 51786 2 . GLU 23 23 51786 2 . GLU 24 24 51786 2 . PHE 25 25 51786 2 . ILE 26 26 51786 2 . LYS 27 27 51786 2 . TRP 28 28 51786 2 . VAL 29 29 51786 2 . ASN 30 30 51786 2 . LYS 31 31 51786 2 . VAL 32 32 51786 2 . GLU 33 33 51786 2 . THR 34 34 51786 2 . VAL 35 35 51786 2 . LEU 36 36 51786 2 . ASN 37 37 51786 2 . LYS 38 38 51786 2 . MET 39 39 51786 2 . PHE 40 40 51786 2 . GLU 41 41 51786 2 . LYS 42 42 51786 2 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 51786 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51786 1 2 2 $entity_2 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51786 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 51786 _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 . . . plasmid . . pETDuet . . 'proteins were co-expressed and purified' 51786 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETDuet . . 'proteins were co-expressed and purified' 51786 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51786 _Sample.ID 1 _Sample.Name 'Rec114:Mei4 May 2022' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Mei4 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 470 . . uM . . . . 51786 1 2 Rec114 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 940 . . uM . . . . 51786 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51786 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51786 1 5 D2O 'natural abundance' . . . . . . 5.5% . . % . . . . 51786 1 6 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 51786 1 7 'sodium azide' 'natural abundance' . . . . . . .05 . . % . . . . 51786 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51786 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'data collected at pH 6.1, 298K on a 550 uL sample' _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 6.1 . pH 51786 1 pressure 1 . atm 51786 1 temperature 298 . K 51786 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51786 _Software.ID 1 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51786 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51786 _Software.ID 2 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51786 2 processing . 51786 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51786 _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 'data analysis' . 51786 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51786 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51786 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51786 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51786 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 51786 _Software.ID 6 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51786 6 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 51786 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz at NYSBC' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51786 _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 yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51786 1 2 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51786 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51786 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51786 1 5 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51786 1 6 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51786 1 7 '3D HNN' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'HN(COCA)NH to give chemical shifts of i, i+1 N' 51786 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 51786 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference _Chem_shift_reference.Details ; Samples were collected at NYSBC and we used their external temperature referencing with an external thermocouple, which they have found comparable to methanol-d4 samples for external referencing. I have also recently collected data with DSS in samples and found that their referencing is accurate. ; 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 external indirect 0.251449530 . . . . . 51786 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51786 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 51786 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 51786 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Rec114 assignments' _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 'These are the assignments for one Rec114 chain (Rec114 A) in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51786 1 2 '3D CBCA(CO)NH' . . . 51786 1 3 '3D HNCACB' . . . 51786 1 4 '3D HNCO' . . . 51786 1 5 '3D HNCACO' . . . 51786 1 6 '3D HNCA' . . . 51786 1 7 '3D HNN' . . . 51786 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51786 1 3 $software_3 . . 51786 1 4 $software_4 . . 51786 1 5 $software_5 . . 51786 1 6 $software_6 . . 51786 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 . 2 . 2 2 2 ASN C C 13 174.931 0.01 . . . . . . . 388 ASN C . 51786 1 2 . 2 . 2 2 2 ASN CA C 13 53.208 0.00 . . . . . . . 388 ASN CA . 51786 1 3 . 2 . 2 2 2 ASN CB C 13 38.928 0.00 . . . . . . . 388 ASN CB . 51786 1 4 . 2 . 2 3 3 VAL H H 1 8.333 0.00 . . . . . . . 389 VAL H . 51786 1 5 . 2 . 2 3 3 VAL C C 13 175.617 0.01 . . . . . . . 389 VAL C . 51786 1 6 . 2 . 2 3 3 VAL CA C 13 62.449 0.01 . . . . . . . 389 VAL CA . 51786 1 7 . 2 . 2 3 3 VAL CB C 13 32.628 0.04 . . . . . . . 389 VAL CB . 51786 1 8 . 2 . 2 3 3 VAL N N 15 121.196 0.01 . . . . . . . 389 VAL N . 51786 1 9 . 2 . 2 4 4 ASN H H 1 8.498 0.00 . . . . . . . 390 ASN H . 51786 1 10 . 2 . 2 4 4 ASN C C 13 175.445 0.03 . . . . . . . 390 ASN C . 51786 1 11 . 2 . 2 4 4 ASN CA C 13 53.224 0.05 . . . . . . . 390 ASN CA . 51786 1 12 . 2 . 2 4 4 ASN CB C 13 38.742 0.01 . . . . . . . 390 ASN CB . 51786 1 13 . 2 . 2 4 4 ASN N N 15 122.087 0.01 . . . . . . . 390 ASN N . 51786 1 14 . 2 . 2 5 5 ARG H H 1 8.373 0.00 . . . . . . . 391 ARG H . 51786 1 15 . 2 . 2 5 5 ARG C C 13 176.145 0.01 . . . . . . . 391 ARG C . 51786 1 16 . 2 . 2 5 5 ARG CA C 13 56.523 0.03 . . . . . . . 391 ARG CA . 51786 1 17 . 2 . 2 5 5 ARG CB C 13 30.428 0.01 . . . . . . . 391 ARG CB . 51786 1 18 . 2 . 2 5 5 ARG N N 15 122.517 0.03 . . . . . . . 391 ARG N . 51786 1 19 . 2 . 2 6 6 ASN H H 1 8.426 0.00 . . . . . . . 392 ASN H . 51786 1 20 . 2 . 2 6 6 ASN C C 13 175.188 0.00 . . . . . . . 392 ASN C . 51786 1 21 . 2 . 2 6 6 ASN CA C 13 53.547 0.05 . . . . . . . 392 ASN CA . 51786 1 22 . 2 . 2 6 6 ASN CB C 13 38.741 0.00 . . . . . . . 392 ASN CB . 51786 1 23 . 2 . 2 6 6 ASN N N 15 119.261 0.00 . . . . . . . 392 ASN N . 51786 1 24 . 2 . 2 7 7 ALA H H 1 8.199 0.00 . . . . . . . 393 ALA H . 51786 1 25 . 2 . 2 7 7 ALA C C 13 177.723 0.01 . . . . . . . 393 ALA C . 51786 1 26 . 2 . 2 7 7 ALA CA C 13 52.769 0.01 . . . . . . . 393 ALA CA . 51786 1 27 . 2 . 2 7 7 ALA CB C 13 19.260 0.01 . . . . . . . 393 ALA CB . 51786 1 28 . 2 . 2 7 7 ALA N N 15 124.468 0.02 . . . . . . . 393 ALA N . 51786 1 29 . 2 . 2 8 8 SER H H 1 8.206 0.00 . . . . . . . 394 SER H . 51786 1 30 . 2 . 2 8 8 SER C C 13 174.668 0.02 . . . . . . . 394 SER C . 51786 1 31 . 2 . 2 8 8 SER CA C 13 58.603 0.04 . . . . . . . 394 SER CA . 51786 1 32 . 2 . 2 8 8 SER CB C 13 63.820 0.01 . . . . . . . 394 SER CB . 51786 1 33 . 2 . 2 8 8 SER N N 15 114.940 0.00 . . . . . . . 394 SER N . 51786 1 34 . 2 . 2 9 9 ARG H H 1 8.099 0.00 . . . . . . . 395 ARG H . 51786 1 35 . 2 . 2 9 9 ARG C C 13 176.130 0.01 . . . . . . . 395 ARG C . 51786 1 36 . 2 . 2 9 9 ARG CA C 13 56.124 0.03 . . . . . . . 395 ARG CA . 51786 1 37 . 2 . 2 9 9 ARG CB C 13 29.675 0.02 . . . . . . . 395 ARG CB . 51786 1 38 . 2 . 2 9 9 ARG N N 15 122.832 0.01 . . . . . . . 395 ARG N . 51786 1 39 . 2 . 2 10 10 LYS H H 1 8.088 0.00 . . . . . . . 396 LYS H . 51786 1 40 . 2 . 2 10 10 LYS C C 13 176.724 0.01 . . . . . . . 396 LYS C . 51786 1 41 . 2 . 2 10 10 LYS CA C 13 56.798 0.00 . . . . . . . 396 LYS CA . 51786 1 42 . 2 . 2 10 10 LYS CB C 13 33.545 0.00 . . . . . . . 396 LYS CB . 51786 1 43 . 2 . 2 10 10 LYS N N 15 122.911 0.12 . . . . . . . 396 LYS N . 51786 1 44 . 2 . 2 11 11 ILE H H 1 8.742 0.00 . . . . . . . 397 ILE H . 51786 1 45 . 2 . 2 11 11 ILE C C 13 174.721 0.02 . . . . . . . 397 ILE C . 51786 1 46 . 2 . 2 11 11 ILE CA C 13 61.660 0.06 . . . . . . . 397 ILE CA . 51786 1 47 . 2 . 2 11 11 ILE CB C 13 39.487 0.03 . . . . . . . 397 ILE CB . 51786 1 48 . 2 . 2 11 11 ILE N N 15 123.140 0.01 . . . . . . . 397 ILE N . 51786 1 49 . 2 . 2 12 12 SER H H 1 7.593 0.00 . . . . . . . 398 SER H . 51786 1 50 . 2 . 2 12 12 SER C C 13 174.731 0.01 . . . . . . . 398 SER C . 51786 1 51 . 2 . 2 12 12 SER CA C 13 56.089 0.05 . . . . . . . 398 SER CA . 51786 1 52 . 2 . 2 12 12 SER CB C 13 64.713 0.02 . . . . . . . 398 SER CB . 51786 1 53 . 2 . 2 12 12 SER N N 15 119.741 0.01 . . . . . . . 398 SER N . 51786 1 54 . 2 . 2 13 13 LYS H H 1 9.353 0.00 . . . . . . . 399 LYS H . 51786 1 55 . 2 . 2 13 13 LYS C C 13 178.214 0.01 . . . . . . . 399 LYS C . 51786 1 56 . 2 . 2 13 13 LYS CA C 13 60.602 0.04 . . . . . . . 399 LYS CA . 51786 1 57 . 2 . 2 13 13 LYS CB C 13 32.124 0.02 . . . . . . . 399 LYS CB . 51786 1 58 . 2 . 2 13 13 LYS N N 15 128.114 0.02 . . . . . . . 399 LYS N . 51786 1 59 . 2 . 2 14 14 ARG H H 1 8.349 0.00 . . . . . . . 400 ARG H . 51786 1 60 . 2 . 2 14 14 ARG C C 13 178.388 0.03 . . . . . . . 400 ARG C . 51786 1 61 . 2 . 2 14 14 ARG CA C 13 59.490 0.01 . . . . . . . 400 ARG CA . 51786 1 62 . 2 . 2 14 14 ARG CB C 13 29.917 0.02 . . . . . . . 400 ARG CB . 51786 1 63 . 2 . 2 14 14 ARG N N 15 118.704 0.01 . . . . . . . 400 ARG N . 51786 1 64 . 2 . 2 15 15 LEU H H 1 7.550 0.00 . . . . . . . 401 LEU H . 51786 1 65 . 2 . 2 15 15 LEU C C 13 178.722 0.01 . . . . . . . 401 LEU C . 51786 1 66 . 2 . 2 15 15 LEU CA C 13 57.624 0.05 . . . . . . . 401 LEU CA . 51786 1 67 . 2 . 2 15 15 LEU CB C 13 42.165 0.01 . . . . . . . 401 LEU CB . 51786 1 68 . 2 . 2 15 15 LEU N N 15 119.952 0.01 . . . . . . . 401 LEU N . 51786 1 69 . 2 . 2 16 16 ILE H H 1 7.618 0.00 . . . . . . . 402 ILE H . 51786 1 70 . 2 . 2 16 16 ILE C C 13 177.049 0.01 . . . . . . . 402 ILE C . 51786 1 71 . 2 . 2 16 16 ILE CA C 13 66.418 0.02 . . . . . . . 402 ILE CA . 51786 1 72 . 2 . 2 16 16 ILE CB C 13 38.096 0.02 . . . . . . . 402 ILE CB . 51786 1 73 . 2 . 2 16 16 ILE N N 15 118.211 0.01 . . . . . . . 402 ILE N . 51786 1 74 . 2 . 2 17 17 LYS H H 1 8.043 0.00 . . . . . . . 403 LYS H . 51786 1 75 . 2 . 2 17 17 LYS C C 13 178.923 0.01 . . . . . . . 403 LYS C . 51786 1 76 . 2 . 2 17 17 LYS CA C 13 60.412 0.05 . . . . . . . 403 LYS CA . 51786 1 77 . 2 . 2 17 17 LYS CB C 13 32.365 0.01 . . . . . . . 403 LYS CB . 51786 1 78 . 2 . 2 17 17 LYS N N 15 116.764 0.01 . . . . . . . 403 LYS N . 51786 1 79 . 2 . 2 18 18 GLU H H 1 7.735 0.00 . . . . . . . 404 GLU H . 51786 1 80 . 2 . 2 18 18 GLU C C 13 179.599 0.02 . . . . . . . 404 GLU C . 51786 1 81 . 2 . 2 18 18 GLU CA C 13 59.251 0.04 . . . . . . . 404 GLU CA . 51786 1 82 . 2 . 2 18 18 GLU CB C 13 29.544 0.01 . . . . . . . 404 GLU CB . 51786 1 83 . 2 . 2 18 18 GLU N N 15 116.972 0.02 . . . . . . . 404 GLU N . 51786 1 84 . 2 . 2 19 19 LYS H H 1 7.758 0.00 . . . . . . . 405 LYS H . 51786 1 85 . 2 . 2 19 19 LYS C C 13 177.954 0.00 . . . . . . . 405 LYS C . 51786 1 86 . 2 . 2 19 19 LYS CA C 13 58.438 0.01 . . . . . . . 405 LYS CA . 51786 1 87 . 2 . 2 19 19 LYS CB C 13 30.446 0.01 . . . . . . . 405 LYS CB . 51786 1 88 . 2 . 2 19 19 LYS N N 15 119.293 0.01 . . . . . . . 405 LYS N . 51786 1 89 . 2 . 2 20 20 LEU H H 1 7.535 0.00 . . . . . . . 406 LEU H . 51786 1 90 . 2 . 2 20 20 LEU C C 13 177.241 0.00 . . . . . . . 406 LEU C . 51786 1 91 . 2 . 2 20 20 LEU CA C 13 56.597 0.02 . . . . . . . 406 LEU CA . 51786 1 92 . 2 . 2 20 20 LEU CB C 13 41.372 0.01 . . . . . . . 406 LEU CB . 51786 1 93 . 2 . 2 20 20 LEU N N 15 113.275 0.01 . . . . . . . 406 LEU N . 51786 1 94 . 2 . 2 21 21 LYS H H 1 7.019 0.00 . . . . . . . 407 LYS H . 51786 1 95 . 2 . 2 21 21 LYS C C 13 175.440 0.01 . . . . . . . 407 LYS C . 51786 1 96 . 2 . 2 21 21 LYS CA C 13 55.877 0.04 . . . . . . . 407 LYS CA . 51786 1 97 . 2 . 2 21 21 LYS CB C 13 32.962 0.01 . . . . . . . 407 LYS CB . 51786 1 98 . 2 . 2 21 21 LYS N N 15 113.891 0.00 . . . . . . . 407 LYS N . 51786 1 99 . 2 . 2 22 22 ASP H H 1 7.446 0.00 . . . . . . . 408 ASP H . 51786 1 100 . 2 . 2 22 22 ASP C C 13 175.583 0.02 . . . . . . . 408 ASP C . 51786 1 101 . 2 . 2 22 22 ASP CA C 13 53.133 0.04 . . . . . . . 408 ASP CA . 51786 1 102 . 2 . 2 22 22 ASP CB C 13 41.469 0.01 . . . . . . . 408 ASP CB . 51786 1 103 . 2 . 2 22 22 ASP N N 15 122.231 0.01 . . . . . . . 408 ASP N . 51786 1 104 . 2 . 2 23 23 GLU H H 1 8.787 0.00 . . . . . . . 409 GLU H . 51786 1 105 . 2 . 2 23 23 GLU C C 13 179.350 0.01 . . . . . . . 409 GLU C . 51786 1 106 . 2 . 2 23 23 GLU CA C 13 59.744 0.00 . . . . . . . 409 GLU CA . 51786 1 107 . 2 . 2 23 23 GLU CB C 13 29.724 0.02 . . . . . . . 409 GLU CB . 51786 1 108 . 2 . 2 23 23 GLU N N 15 125.603 0.02 . . . . . . . 409 GLU N . 51786 1 109 . 2 . 2 24 24 GLU H H 1 8.260 0.00 . . . . . . . 410 GLU H . 51786 1 110 . 2 . 2 24 24 GLU C C 13 178.188 0.04 . . . . . . . 410 GLU C . 51786 1 111 . 2 . 2 24 24 GLU CA C 13 59.037 0.05 . . . . . . . 410 GLU CA . 51786 1 112 . 2 . 2 24 24 GLU CB C 13 29.183 0.05 . . . . . . . 410 GLU CB . 51786 1 113 . 2 . 2 24 24 GLU N N 15 119.385 0.01 . . . . . . . 410 GLU N . 51786 1 114 . 2 . 2 25 25 PHE H H 1 7.740 0.00 . . . . . . . 411 PHE H . 51786 1 115 . 2 . 2 25 25 PHE C C 13 177.493 0.01 . . . . . . . 411 PHE C . 51786 1 116 . 2 . 2 25 25 PHE CA C 13 61.861 0.03 . . . . . . . 411 PHE CA . 51786 1 117 . 2 . 2 25 25 PHE CB C 13 38.988 0.04 . . . . . . . 411 PHE CB . 51786 1 118 . 2 . 2 25 25 PHE N N 15 122.841 0.04 . . . . . . . 411 PHE N . 51786 1 119 . 2 . 2 26 26 ILE H H 1 8.328 0.00 . . . . . . . 412 ILE H . 51786 1 120 . 2 . 2 26 26 ILE C C 13 177.894 0.01 . . . . . . . 412 ILE C . 51786 1 121 . 2 . 2 26 26 ILE CA C 13 63.069 0.05 . . . . . . . 412 ILE CA . 51786 1 122 . 2 . 2 26 26 ILE CB C 13 36.281 0.02 . . . . . . . 412 ILE CB . 51786 1 123 . 2 . 2 26 26 ILE N N 15 118.671 0.01 . . . . . . . 412 ILE N . 51786 1 124 . 2 . 2 27 27 LYS H H 1 7.834 0.00 . . . . . . . 413 LYS H . 51786 1 125 . 2 . 2 27 27 LYS C C 13 180.393 0.01 . . . . . . . 413 LYS C . 51786 1 126 . 2 . 2 27 27 LYS CA C 13 60.445 0.04 . . . . . . . 413 LYS CA . 51786 1 127 . 2 . 2 27 27 LYS CB C 13 32.115 0.03 . . . . . . . 413 LYS CB . 51786 1 128 . 2 . 2 27 27 LYS N N 15 119.412 0.01 . . . . . . . 413 LYS N . 51786 1 129 . 2 . 2 28 28 TRP H H 1 7.814 0.00 . . . . . . . 414 TRP H . 51786 1 130 . 2 . 2 28 28 TRP C C 13 178.349 0.08 . . . . . . . 414 TRP C . 51786 1 131 . 2 . 2 28 28 TRP CA C 13 60.803 0.03 . . . . . . . 414 TRP CA . 51786 1 132 . 2 . 2 28 28 TRP CB C 13 29.044 0.01 . . . . . . . 414 TRP CB . 51786 1 133 . 2 . 2 28 28 TRP N N 15 121.175 0.01 . . . . . . . 414 TRP N . 51786 1 134 . 2 . 2 29 29 VAL H H 1 8.402 0.00 . . . . . . . 415 VAL H . 51786 1 135 . 2 . 2 29 29 VAL C C 13 177.993 0.02 . . . . . . . 415 VAL C . 51786 1 136 . 2 . 2 29 29 VAL CA C 13 67.227 0.05 . . . . . . . 415 VAL CA . 51786 1 137 . 2 . 2 29 29 VAL CB C 13 31.303 0.03 . . . . . . . 415 VAL CB . 51786 1 138 . 2 . 2 29 29 VAL N N 15 120.926 0.04 . . . . . . . 415 VAL N . 51786 1 139 . 2 . 2 30 30 ASN H H 1 8.469 0.00 . . . . . . . 416 ASN H . 51786 1 140 . 2 . 2 30 30 ASN C C 13 178.152 0.02 . . . . . . . 416 ASN C . 51786 1 141 . 2 . 2 30 30 ASN CA C 13 55.699 0.04 . . . . . . . 416 ASN CA . 51786 1 142 . 2 . 2 30 30 ASN CB C 13 37.529 0.01 . . . . . . . 416 ASN CB . 51786 1 143 . 2 . 2 30 30 ASN N N 15 117.487 0.01 . . . . . . . 416 ASN N . 51786 1 144 . 2 . 2 31 31 LYS H H 1 7.954 0.00 . . . . . . . 417 LYS H . 51786 1 145 . 2 . 2 31 31 LYS C C 13 179.855 0.01 . . . . . . . 417 LYS C . 51786 1 146 . 2 . 2 31 31 LYS CA C 13 59.638 0.01 . . . . . . . 417 LYS CA . 51786 1 147 . 2 . 2 31 31 LYS CB C 13 32.335 0.04 . . . . . . . 417 LYS CB . 51786 1 148 . 2 . 2 31 31 LYS N N 15 121.557 0.01 . . . . . . . 417 LYS N . 51786 1 149 . 2 . 2 32 32 VAL H H 1 8.276 0.00 . . . . . . . 418 VAL H . 51786 1 150 . 2 . 2 32 32 VAL C C 13 177.415 0.00 . . . . . . . 418 VAL C . 51786 1 151 . 2 . 2 32 32 VAL CA C 13 66.482 0.01 . . . . . . . 418 VAL CA . 51786 1 152 . 2 . 2 32 32 VAL CB C 13 30.965 0.01 . . . . . . . 418 VAL CB . 51786 1 153 . 2 . 2 32 32 VAL N N 15 120.900 0.01 . . . . . . . 418 VAL N . 51786 1 154 . 2 . 2 33 33 GLU H H 1 9.034 0.00 . . . . . . . 419 GLU H . 51786 1 155 . 2 . 2 33 33 GLU C C 13 177.662 0.01 . . . . . . . 419 GLU C . 51786 1 156 . 2 . 2 33 33 GLU CA C 13 61.165 0.02 . . . . . . . 419 GLU CA . 51786 1 157 . 2 . 2 33 33 GLU CB C 13 27.337 0.01 . . . . . . . 419 GLU CB . 51786 1 158 . 2 . 2 33 33 GLU N N 15 123.551 0.03 . . . . . . . 419 GLU N . 51786 1 159 . 2 . 2 34 34 THR H H 1 7.534 0.00 . . . . . . . 420 THR H . 51786 1 160 . 2 . 2 34 34 THR C C 13 176.562 0.01 . . . . . . . 420 THR C . 51786 1 161 . 2 . 2 34 34 THR CA C 13 66.186 0.01 . . . . . . . 420 THR CA . 51786 1 162 . 2 . 2 34 34 THR CB C 13 69.166 0.01 . . . . . . . 420 THR CB . 51786 1 163 . 2 . 2 34 34 THR N N 15 111.588 0.02 . . . . . . . 420 THR N . 51786 1 164 . 2 . 2 35 35 VAL H H 1 7.163 0.00 . . . . . . . 421 VAL H . 51786 1 165 . 2 . 2 35 35 VAL C C 13 178.536 0.00 . . . . . . . 421 VAL C . 51786 1 166 . 2 . 2 35 35 VAL CA C 13 65.913 0.04 . . . . . . . 421 VAL CA . 51786 1 167 . 2 . 2 35 35 VAL CB C 13 31.932 0.02 . . . . . . . 421 VAL CB . 51786 1 168 . 2 . 2 35 35 VAL N N 15 122.307 0.01 . . . . . . . 421 VAL N . 51786 1 169 . 2 . 2 36 36 LEU H H 1 8.405 0.00 . . . . . . . 422 LEU H . 51786 1 170 . 2 . 2 36 36 LEU C C 13 178.481 0.00 . . . . . . . 422 LEU C . 51786 1 171 . 2 . 2 36 36 LEU CA C 13 57.999 0.02 . . . . . . . 422 LEU CA . 51786 1 172 . 2 . 2 36 36 LEU CB C 13 41.860 0.02 . . . . . . . 422 LEU CB . 51786 1 173 . 2 . 2 36 36 LEU N N 15 120.627 0.03 . . . . . . . 422 LEU N . 51786 1 174 . 2 . 2 37 37 ASN H H 1 8.372 0.00 . . . . . . . 423 ASN H . 51786 1 175 . 2 . 2 37 37 ASN C C 13 177.538 0.01 . . . . . . . 423 ASN C . 51786 1 176 . 2 . 2 37 37 ASN CA C 13 56.106 0.05 . . . . . . . 423 ASN CA . 51786 1 177 . 2 . 2 37 37 ASN CB C 13 38.310 0.01 . . . . . . . 423 ASN CB . 51786 1 178 . 2 . 2 37 37 ASN N N 15 116.020 0.01 . . . . . . . 423 ASN N . 51786 1 179 . 2 . 2 38 38 LYS H H 1 7.354 0.00 . . . . . . . 424 LYS H . 51786 1 180 . 2 . 2 38 38 LYS C C 13 178.422 0.02 . . . . . . . 424 LYS C . 51786 1 181 . 2 . 2 38 38 LYS CA C 13 57.281 0.05 . . . . . . . 424 LYS CA . 51786 1 182 . 2 . 2 38 38 LYS CB C 13 32.186 0.00 . . . . . . . 424 LYS CB . 51786 1 183 . 2 . 2 38 38 LYS N N 15 117.250 0.01 . . . . . . . 424 LYS N . 51786 1 184 . 2 . 2 39 39 MET H H 1 7.871 0.00 . . . . . . . 425 MET H . 51786 1 185 . 2 . 2 39 39 MET C C 13 176.891 0.00 . . . . . . . 425 MET C . 51786 1 186 . 2 . 2 39 39 MET CA C 13 58.065 0.01 . . . . . . . 425 MET CA . 51786 1 187 . 2 . 2 39 39 MET CB C 13 33.322 0.01 . . . . . . . 425 MET CB . 51786 1 188 . 2 . 2 39 39 MET N N 15 118.792 0.01 . . . . . . . 425 MET N . 51786 1 189 . 2 . 2 40 40 PHE H H 1 7.788 0.00 . . . . . . . 426 PHE H . 51786 1 190 . 2 . 2 40 40 PHE C C 13 175.508 0.03 . . . . . . . 426 PHE C . 51786 1 191 . 2 . 2 40 40 PHE CA C 13 56.751 0.00 . . . . . . . 426 PHE CA . 51786 1 192 . 2 . 2 40 40 PHE CB C 13 38.968 0.01 . . . . . . . 426 PHE CB . 51786 1 193 . 2 . 2 40 40 PHE N N 15 117.042 0.00 . . . . . . . 426 PHE N . 51786 1 194 . 2 . 2 41 41 GLU H H 1 7.765 0.00 . . . . . . . 427 GLU H . 51786 1 195 . 2 . 2 41 41 GLU C C 13 175.450 0.01 . . . . . . . 427 GLU C . 51786 1 196 . 2 . 2 41 41 GLU CA C 13 57.076 0.02 . . . . . . . 427 GLU CA . 51786 1 197 . 2 . 2 41 41 GLU CB C 13 30.022 0.02 . . . . . . . 427 GLU CB . 51786 1 198 . 2 . 2 41 41 GLU N N 15 121.543 0.01 . . . . . . . 427 GLU N . 51786 1 199 . 2 . 2 42 42 LYS H H 1 7.990 0.00 . . . . . . . 428 LYS H . 51786 1 200 . 2 . 2 42 42 LYS C C 13 181.369 0.00 . . . . . . . 428 LYS C . 51786 1 201 . 2 . 2 42 42 LYS CA C 13 57.710 0.02 . . . . . . . 428 LYS CA . 51786 1 202 . 2 . 2 42 42 LYS CB C 13 33.665 0.00 . . . . . . . 428 LYS CB . 51786 1 203 . 2 . 2 42 42 LYS N N 15 127.356 0.01 . . . . . . . 428 LYS N . 51786 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51786 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Mei4 assignments' _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 'These are the assignments for Mei4 in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51786 2 2 '3D CBCA(CO)NH' . . . 51786 2 3 '3D HNCACB' . . . 51786 2 4 '3D HNCO' . . . 51786 2 5 '3D HNCACO' . . . 51786 2 6 '3D HNCA' . . . 51786 2 7 '3D HNN' . . . 51786 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51786 2 3 $software_3 . . 51786 2 4 $software_4 . . 51786 2 5 $software_5 . . 51786 2 6 $software_6 . . 51786 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLU C C 13 176.610 0.00 . . . . . . . 13 GLU C . 51786 2 2 . 1 . 1 2 2 GLU CA C 13 56.963 0.01 . . . . . . . 13 GLU CA . 51786 2 3 . 1 . 1 2 2 GLU CB C 13 30.233 0.00 . . . . . . . 13 GLU CB . 51786 2 4 . 1 . 1 3 3 THR H H 1 8.317 0.00 . . . . . . . 14 THR H . 51786 2 5 . 1 . 1 3 3 THR C C 13 175.071 0.00 . . . . . . . 14 THR C . 51786 2 6 . 1 . 1 3 3 THR CA C 13 63.300 0.03 . . . . . . . 14 THR CA . 51786 2 7 . 1 . 1 3 3 THR CB C 13 69.380 0.01 . . . . . . . 14 THR CB . 51786 2 8 . 1 . 1 3 3 THR N N 15 116.886 0.01 . . . . . . . 14 THR N . 51786 2 9 . 1 . 1 4 4 SER H H 1 8.673 0.00 . . . . . . . 15 SER H . 51786 2 10 . 1 . 1 4 4 SER C C 13 175.248 0.03 . . . . . . . 15 SER C . 51786 2 11 . 1 . 1 4 4 SER CA C 13 58.792 0.04 . . . . . . . 15 SER CA . 51786 2 12 . 1 . 1 4 4 SER CB C 13 64.518 0.03 . . . . . . . 15 SER CB . 51786 2 13 . 1 . 1 4 4 SER N N 15 121.535 0.02 . . . . . . . 15 SER N . 51786 2 14 . 1 . 1 5 5 GLU H H 1 8.673 0.00 . . . . . . . 16 GLU H . 51786 2 15 . 1 . 1 5 5 GLU C C 13 178.895 0.01 . . . . . . . 16 GLU C . 51786 2 16 . 1 . 1 5 5 GLU CA C 13 59.826 0.01 . . . . . . . 16 GLU CA . 51786 2 17 . 1 . 1 5 5 GLU CB C 13 29.895 0.01 . . . . . . . 16 GLU CB . 51786 2 18 . 1 . 1 5 5 GLU N N 15 122.602 0.02 . . . . . . . 16 GLU N . 51786 2 19 . 1 . 1 6 6 VAL H H 1 7.941 0.00 . . . . . . . 17 VAL H . 51786 2 20 . 1 . 1 6 6 VAL C C 13 176.863 0.00 . . . . . . . 17 VAL C . 51786 2 21 . 1 . 1 6 6 VAL CA C 13 66.735 0.02 . . . . . . . 17 VAL CA . 51786 2 22 . 1 . 1 6 6 VAL CB C 13 31.695 0.03 . . . . . . . 17 VAL CB . 51786 2 23 . 1 . 1 6 6 VAL N N 15 116.893 0.01 . . . . . . . 17 VAL N . 51786 2 24 . 1 . 1 7 7 ASP H H 1 7.749 0.00 . . . . . . . 18 ASP H . 51786 2 25 . 1 . 1 7 7 ASP C C 13 179.172 0.02 . . . . . . . 18 ASP C . 51786 2 26 . 1 . 1 7 7 ASP CA C 13 58.291 0.00 . . . . . . . 18 ASP CA . 51786 2 27 . 1 . 1 7 7 ASP CB C 13 39.789 0.02 . . . . . . . 18 ASP CB . 51786 2 28 . 1 . 1 7 7 ASP N N 15 121.059 0.01 . . . . . . . 18 ASP N . 51786 2 29 . 1 . 1 8 8 TRP H H 1 7.905 0.00 . . . . . . . 19 TRP H . 51786 2 30 . 1 . 1 8 8 TRP C C 13 178.321 0.01 . . . . . . . 19 TRP C . 51786 2 31 . 1 . 1 8 8 TRP CA C 13 61.702 0.04 . . . . . . . 19 TRP CA . 51786 2 32 . 1 . 1 8 8 TRP CB C 13 29.928 0.02 . . . . . . . 19 TRP CB . 51786 2 33 . 1 . 1 8 8 TRP N N 15 118.663 0.02 . . . . . . . 19 TRP N . 51786 2 34 . 1 . 1 9 9 ILE H H 1 8.557 0.00 . . . . . . . 20 ILE H . 51786 2 35 . 1 . 1 9 9 ILE C C 13 177.825 0.02 . . . . . . . 20 ILE C . 51786 2 36 . 1 . 1 9 9 ILE CA C 13 65.162 0.03 . . . . . . . 20 ILE CA . 51786 2 37 . 1 . 1 9 9 ILE CB C 13 38.158 0.04 . . . . . . . 20 ILE CB . 51786 2 38 . 1 . 1 9 9 ILE N N 15 120.253 0.01 . . . . . . . 20 ILE N . 51786 2 39 . 1 . 1 10 10 ILE H H 1 8.480 0.00 . . . . . . . 21 ILE H . 51786 2 40 . 1 . 1 10 10 ILE C C 13 176.611 0.01 . . . . . . . 21 ILE C . 51786 2 41 . 1 . 1 10 10 ILE CA C 13 66.312 0.01 . . . . . . . 21 ILE CA . 51786 2 42 . 1 . 1 10 10 ILE CB C 13 38.014 0.06 . . . . . . . 21 ILE CB . 51786 2 43 . 1 . 1 10 10 ILE N N 15 117.843 0.01 . . . . . . . 21 ILE N . 51786 2 44 . 1 . 1 11 11 CYS H H 1 8.776 0.00 . . . . . . . 22 CYS H . 51786 2 45 . 1 . 1 11 11 CYS C C 13 175.709 0.01 . . . . . . . 22 CYS C . 51786 2 46 . 1 . 1 11 11 CYS CA C 13 61.064 0.00 . . . . . . . 22 CYS CA . 51786 2 47 . 1 . 1 11 11 CYS CB C 13 26.870 0.03 . . . . . . . 22 CYS CB . 51786 2 48 . 1 . 1 11 11 CYS N N 15 119.203 0.01 . . . . . . . 22 CYS N . 51786 2 49 . 1 . 1 12 12 PHE H H 1 8.532 0.00 . . . . . . . 23 PHE H . 51786 2 50 . 1 . 1 12 12 PHE C C 13 176.959 0.00 . . . . . . . 23 PHE C . 51786 2 51 . 1 . 1 12 12 PHE CA C 13 61.200 0.03 . . . . . . . 23 PHE CA . 51786 2 52 . 1 . 1 12 12 PHE CB C 13 38.508 0.01 . . . . . . . 23 PHE CB . 51786 2 53 . 1 . 1 12 12 PHE N N 15 115.787 0.01 . . . . . . . 23 PHE N . 51786 2 54 . 1 . 1 13 13 ALA H H 1 8.579 0.00 . . . . . . . 24 ALA H . 51786 2 55 . 1 . 1 13 13 ALA C C 13 179.346 0.01 . . . . . . . 24 ALA C . 51786 2 56 . 1 . 1 13 13 ALA CA C 13 55.502 0.01 . . . . . . . 24 ALA CA . 51786 2 57 . 1 . 1 13 13 ALA CB C 13 18.832 0.00 . . . . . . . 24 ALA CB . 51786 2 58 . 1 . 1 13 13 ALA N N 15 123.283 0.01 . . . . . . . 24 ALA N . 51786 2 59 . 1 . 1 14 14 LEU H H 1 8.583 0.00 . . . . . . . 25 LEU H . 51786 2 60 . 1 . 1 14 14 LEU C C 13 179.386 0.01 . . . . . . . 25 LEU C . 51786 2 61 . 1 . 1 14 14 LEU CA C 13 57.972 0.02 . . . . . . . 25 LEU CA . 51786 2 62 . 1 . 1 14 14 LEU CB C 13 41.832 0.05 . . . . . . . 25 LEU CB . 51786 2 63 . 1 . 1 14 14 LEU N N 15 120.858 0.02 . . . . . . . 25 LEU N . 51786 2 64 . 1 . 1 15 15 ILE H H 1 8.006 0.00 . . . . . . . 26 ILE H . 51786 2 65 . 1 . 1 15 15 ILE C C 13 176.634 0.01 . . . . . . . 26 ILE C . 51786 2 66 . 1 . 1 15 15 ILE CA C 13 66.556 0.02 . . . . . . . 26 ILE CA . 51786 2 67 . 1 . 1 15 15 ILE CB C 13 37.966 0.04 . . . . . . . 26 ILE CB . 51786 2 68 . 1 . 1 15 15 ILE N N 15 120.564 0.02 . . . . . . . 26 ILE N . 51786 2 69 . 1 . 1 16 16 GLN H H 1 8.330 0.01 . . . . . . . 27 GLN H . 51786 2 70 . 1 . 1 16 16 GLN C C 13 176.438 0.02 . . . . . . . 27 GLN C . 51786 2 71 . 1 . 1 16 16 GLN CA C 13 59.463 0.01 . . . . . . . 27 GLN CA . 51786 2 72 . 1 . 1 16 16 GLN CB C 13 26.608 0.02 . . . . . . . 27 GLN CB . 51786 2 73 . 1 . 1 16 16 GLN N N 15 118.697 0.02 . . . . . . . 27 GLN N . 51786 2 74 . 1 . 1 17 17 SER H H 1 7.720 0.00 . . . . . . . 28 SER H . 51786 2 75 . 1 . 1 17 17 SER C C 13 176.389 0.00 . . . . . . . 28 SER C . 51786 2 76 . 1 . 1 17 17 SER CA C 13 60.897 0.01 . . . . . . . 28 SER CA . 51786 2 77 . 1 . 1 17 17 SER CB C 13 63.995 0.01 . . . . . . . 28 SER CB . 51786 2 78 . 1 . 1 17 17 SER N N 15 110.422 0.02 . . . . . . . 28 SER N . 51786 2 79 . 1 . 1 18 18 ARG H H 1 8.018 0.00 . . . . . . . 29 ARG H . 51786 2 80 . 1 . 1 18 18 ARG C C 13 176.047 0.01 . . . . . . . 29 ARG C . 51786 2 81 . 1 . 1 18 18 ARG CA C 13 56.149 0.05 . . . . . . . 29 ARG CA . 51786 2 82 . 1 . 1 18 18 ARG CB C 13 31.325 0.01 . . . . . . . 29 ARG CB . 51786 2 83 . 1 . 1 18 18 ARG N N 15 115.799 0.01 . . . . . . . 29 ARG N . 51786 2 84 . 1 . 1 19 19 ASN H H 1 8.752 0.00 . . . . . . . 30 ASN H . 51786 2 85 . 1 . 1 19 19 ASN C C 13 170.978 0.00 . . . . . . . 30 ASN C . 51786 2 86 . 1 . 1 19 19 ASN CA C 13 50.079 0.02 . . . . . . . 30 ASN CA . 51786 2 87 . 1 . 1 19 19 ASN CB C 13 37.863 0.00 . . . . . . . 30 ASN CB . 51786 2 88 . 1 . 1 19 19 ASN N N 15 120.824 0.01 . . . . . . . 30 ASN N . 51786 2 89 . 1 . 1 20 20 PRO C C 13 179.896 0.01 . . . . . . . 31 PRO C . 51786 2 90 . 1 . 1 20 20 PRO CA C 13 65.094 0.01 . . . . . . . 31 PRO CA . 51786 2 91 . 1 . 1 20 20 PRO CB C 13 31.484 0.01 . . . . . . . 31 PRO CB . 51786 2 92 . 1 . 1 21 21 THR H H 1 8.368 0.00 . . . . . . . 32 THR H . 51786 2 93 . 1 . 1 21 21 THR C C 13 176.814 0.00 . . . . . . . 32 THR C . 51786 2 94 . 1 . 1 21 21 THR CA C 13 66.269 0.01 . . . . . . . 32 THR CA . 51786 2 95 . 1 . 1 21 21 THR CB C 13 68.188 0.01 . . . . . . . 32 THR CB . 51786 2 96 . 1 . 1 21 21 THR N N 15 113.253 0.01 . . . . . . . 32 THR N . 51786 2 97 . 1 . 1 22 22 LEU H H 1 7.211 0.00 . . . . . . . 33 LEU H . 51786 2 98 . 1 . 1 22 22 LEU C C 13 177.459 0.00 . . . . . . . 33 LEU C . 51786 2 99 . 1 . 1 22 22 LEU CA C 13 57.698 0.06 . . . . . . . 33 LEU CA . 51786 2 100 . 1 . 1 22 22 LEU CB C 13 42.358 0.01 . . . . . . . 33 LEU CB . 51786 2 101 . 1 . 1 22 22 LEU N N 15 124.707 0.02 . . . . . . . 33 LEU N . 51786 2 102 . 1 . 1 23 23 TRP H H 1 7.872 0.00 . . . . . . . 34 TRP H . 51786 2 103 . 1 . 1 23 23 TRP C C 13 175.911 0.01 . . . . . . . 34 TRP C . 51786 2 104 . 1 . 1 23 23 TRP CA C 13 59.903 0.02 . . . . . . . 34 TRP CA . 51786 2 105 . 1 . 1 23 23 TRP CB C 13 30.257 0.03 . . . . . . . 34 TRP CB . 51786 2 106 . 1 . 1 23 23 TRP N N 15 118.109 0.01 . . . . . . . 34 TRP N . 51786 2 107 . 1 . 1 24 24 LYS H H 1 8.029 0.00 . . . . . . . 35 LYS H . 51786 2 108 . 1 . 1 24 24 LYS C C 13 179.895 0.01 . . . . . . . 35 LYS C . 51786 2 109 . 1 . 1 24 24 LYS CA C 13 59.557 0.02 . . . . . . . 35 LYS CA . 51786 2 110 . 1 . 1 24 24 LYS CB C 13 32.326 0.01 . . . . . . . 35 LYS CB . 51786 2 111 . 1 . 1 24 24 LYS N N 15 114.343 0.01 . . . . . . . 35 LYS N . 51786 2 112 . 1 . 1 25 25 ARG H H 1 7.561 0.00 . . . . . . . 36 ARG H . 51786 2 113 . 1 . 1 25 25 ARG C C 13 178.103 0.00 . . . . . . . 36 ARG C . 51786 2 114 . 1 . 1 25 25 ARG CA C 13 59.501 0.05 . . . . . . . 36 ARG CA . 51786 2 115 . 1 . 1 25 25 ARG CB C 13 30.362 0.07 . . . . . . . 36 ARG CB . 51786 2 116 . 1 . 1 25 25 ARG N N 15 119.411 0.01 . . . . . . . 36 ARG N . 51786 2 117 . 1 . 1 26 26 ALA H H 1 8.002 0.00 . . . . . . . 37 ALA H . 51786 2 118 . 1 . 1 26 26 ALA C C 13 177.811 0.01 . . . . . . . 37 ALA C . 51786 2 119 . 1 . 1 26 26 ALA CA C 13 53.434 0.05 . . . . . . . 37 ALA CA . 51786 2 120 . 1 . 1 26 26 ALA CB C 13 17.538 0.01 . . . . . . . 37 ALA CB . 51786 2 121 . 1 . 1 26 26 ALA N N 15 122.233 0.04 . . . . . . . 37 ALA N . 51786 2 122 . 1 . 1 27 27 LEU H H 1 7.085 0.00 . . . . . . . 38 LEU H . 51786 2 123 . 1 . 1 27 27 LEU C C 13 178.601 0.01 . . . . . . . 38 LEU C . 51786 2 124 . 1 . 1 27 27 LEU CA C 13 55.154 0.03 . . . . . . . 38 LEU CA . 51786 2 125 . 1 . 1 27 27 LEU CB C 13 41.532 0.02 . . . . . . . 38 LEU CB . 51786 2 126 . 1 . 1 27 27 LEU N N 15 114.801 0.02 . . . . . . . 38 LEU N . 51786 2 127 . 1 . 1 28 28 SER H H 1 7.366 0.00 . . . . . . . 39 SER H . 51786 2 128 . 1 . 1 28 28 SER C C 13 174.917 0.01 . . . . . . . 39 SER C . 51786 2 129 . 1 . 1 28 28 SER CA C 13 59.570 0.01 . . . . . . . 39 SER CA . 51786 2 130 . 1 . 1 28 28 SER CB C 13 63.619 0.00 . . . . . . . 39 SER CB . 51786 2 131 . 1 . 1 28 28 SER N N 15 114.112 0.01 . . . . . . . 39 SER N . 51786 2 132 . 1 . 1 29 29 ARG H H 1 7.935 0.00 . . . . . . . 40 ARG H . 51786 2 133 . 1 . 1 29 29 ARG C C 13 176.344 0.00 . . . . . . . 40 ARG C . 51786 2 134 . 1 . 1 29 29 ARG CA C 13 55.650 0.01 . . . . . . . 40 ARG CA . 51786 2 135 . 1 . 1 29 29 ARG CB C 13 30.176 0.02 . . . . . . . 40 ARG CB . 51786 2 136 . 1 . 1 29 29 ARG N N 15 122.431 0.02 . . . . . . . 40 ARG N . 51786 2 137 . 1 . 1 30 30 LYS H H 1 8.112 0.00 . . . . . . . 41 LYS H . 51786 2 138 . 1 . 1 30 30 LYS C C 13 176.426 0.01 . . . . . . . 41 LYS C . 51786 2 139 . 1 . 1 30 30 LYS CA C 13 56.921 0.01 . . . . . . . 41 LYS CA . 51786 2 140 . 1 . 1 30 30 LYS CB C 13 32.852 0.01 . . . . . . . 41 LYS CB . 51786 2 141 . 1 . 1 30 30 LYS N N 15 122.400 0.01 . . . . . . . 41 LYS N . 51786 2 142 . 1 . 1 31 31 LYS H H 1 8.375 0.00 . . . . . . . 42 LYS H . 51786 2 143 . 1 . 1 31 31 LYS C C 13 175.947 0.01 . . . . . . . 42 LYS C . 51786 2 144 . 1 . 1 31 31 LYS CA C 13 56.372 0.06 . . . . . . . 42 LYS CA . 51786 2 145 . 1 . 1 31 31 LYS CB C 13 33.019 0.03 . . . . . . . 42 LYS CB . 51786 2 146 . 1 . 1 31 31 LYS N N 15 122.712 0.04 . . . . . . . 42 LYS N . 51786 2 147 . 1 . 1 32 32 GLY H H 1 7.982 0.00 . . . . . . . 43 GLY H . 51786 2 148 . 1 . 1 32 32 GLY C C 13 178.988 0.00 . . . . . . . 43 GLY C . 51786 2 149 . 1 . 1 32 32 GLY CA C 13 46.143 0.02 . . . . . . . 43 GLY CA . 51786 2 150 . 1 . 1 32 32 GLY N N 15 116.454 0.01 . . . . . . . 43 GLY N . 51786 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51786 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'Rec114b assignments' _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 'These are the assignments for the second Rec114 chain (Rec114 B) in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51786 3 2 '3D CBCA(CO)NH' . . . 51786 3 3 '3D HNCACB' . . . 51786 3 4 '3D HNCO' . . . 51786 3 5 '3D HNCACO' . . . 51786 3 6 '3D HNCA' . . . 51786 3 7 '3D HNN' . . . 51786 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51786 3 3 $software_3 . . 51786 3 4 $software_4 . . 51786 3 5 $software_5 . . 51786 3 6 $software_6 . . 51786 3 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 . 3 . 2 2 2 ASN C C 13 174.941 0.00 . . . . . . . 388 ASN C . 51786 3 2 . 3 . 2 2 2 ASN CA C 13 53.257 0.00 . . . . . . . 388 ASN CA . 51786 3 3 . 3 . 2 2 2 ASN CB C 13 38.887 0.00 . . . . . . . 388 ASN CB . 51786 3 4 . 3 . 2 3 3 VAL H H 1 8.349 0.00 . . . . . . . 389 VAL H . 51786 3 5 . 3 . 2 3 3 VAL C C 13 175.694 0.01 . . . . . . . 389 VAL C . 51786 3 6 . 3 . 2 3 3 VAL CA C 13 62.443 0.01 . . . . . . . 389 VAL CA . 51786 3 7 . 3 . 2 3 3 VAL CB C 13 32.699 0.01 . . . . . . . 389 VAL CB . 51786 3 8 . 3 . 2 3 3 VAL N N 15 121.233 0.01 . . . . . . . 389 VAL N . 51786 3 9 . 3 . 2 4 4 ASN H H 1 8.551 0.00 . . . . . . . 390 ASN H . 51786 3 10 . 3 . 2 4 4 ASN C C 13 175.567 0.03 . . . . . . . 390 ASN C . 51786 3 11 . 3 . 2 4 4 ASN CA C 13 53.262 0.05 . . . . . . . 390 ASN CA . 51786 3 12 . 3 . 2 4 4 ASN CB C 13 38.754 0.00 . . . . . . . 390 ASN CB . 51786 3 13 . 3 . 2 4 4 ASN N N 15 122.394 0.01 . . . . . . . 390 ASN N . 51786 3 14 . 3 . 2 5 5 ARG H H 1 8.451 0.00 . . . . . . . 391 ARG H . 51786 3 15 . 3 . 2 5 5 ARG C C 13 176.375 0.01 . . . . . . . 391 ARG C . 51786 3 16 . 3 . 2 5 5 ARG CA C 13 56.736 0.01 . . . . . . . 391 ARG CA . 51786 3 17 . 3 . 2 5 5 ARG CB C 13 30.416 0.01 . . . . . . . 391 ARG CB . 51786 3 18 . 3 . 2 5 5 ARG N N 15 122.660 0.03 . . . . . . . 391 ARG N . 51786 3 19 . 3 . 2 6 6 ASN H H 1 8.466 0.00 . . . . . . . 392 ASN H . 51786 3 20 . 3 . 2 6 6 ASN C C 13 175.430 0.01 . . . . . . . 392 ASN C . 51786 3 21 . 3 . 2 6 6 ASN CA C 13 53.699 0.03 . . . . . . . 392 ASN CA . 51786 3 22 . 3 . 2 6 6 ASN CB C 13 38.667 0.00 . . . . . . . 392 ASN CB . 51786 3 23 . 3 . 2 6 6 ASN N N 15 118.941 0.01 . . . . . . . 392 ASN N . 51786 3 24 . 3 . 2 7 7 ALA H H 1 8.106 0.00 . . . . . . . 393 ALA H . 51786 3 25 . 3 . 2 7 7 ALA C C 13 177.952 0.01 . . . . . . . 393 ALA C . 51786 3 26 . 3 . 2 7 7 ALA CA C 13 53.246 0.06 . . . . . . . 393 ALA CA . 51786 3 27 . 3 . 2 7 7 ALA CB C 13 19.073 0.01 . . . . . . . 393 ALA CB . 51786 3 28 . 3 . 2 7 7 ALA N N 15 123.939 0.01 . . . . . . . 393 ALA N . 51786 3 29 . 3 . 2 8 8 SER H H 1 8.120 0.00 . . . . . . . 394 SER H . 51786 3 30 . 3 . 2 8 8 SER C C 13 174.414 0.01 . . . . . . . 394 SER C . 51786 3 31 . 3 . 2 8 8 SER CA C 13 58.698 0.04 . . . . . . . 394 SER CA . 51786 3 32 . 3 . 2 8 8 SER CB C 13 63.641 0.01 . . . . . . . 394 SER CB . 51786 3 33 . 3 . 2 8 8 SER N N 15 113.925 0.00 . . . . . . . 394 SER N . 51786 3 34 . 3 . 2 9 9 ARG H H 1 7.847 0.00 . . . . . . . 395 ARG H . 51786 3 35 . 3 . 2 9 9 ARG C C 13 175.096 0.01 . . . . . . . 395 ARG C . 51786 3 36 . 3 . 2 9 9 ARG CA C 13 56.164 0.04 . . . . . . . 395 ARG CA . 51786 3 37 . 3 . 2 9 9 ARG CB C 13 30.270 0.03 . . . . . . . 395 ARG CB . 51786 3 38 . 3 . 2 9 9 ARG N N 15 122.798 0.02 . . . . . . . 395 ARG N . 51786 3 39 . 3 . 2 10 10 LYS H H 1 7.998 0.00 . . . . . . . 396 LYS H . 51786 3 40 . 3 . 2 10 10 LYS C C 13 175.700 0.01 . . . . . . . 396 LYS C . 51786 3 41 . 3 . 2 10 10 LYS CA C 13 56.084 0.04 . . . . . . . 396 LYS CA . 51786 3 42 . 3 . 2 10 10 LYS CB C 13 33.761 0.01 . . . . . . . 396 LYS CB . 51786 3 43 . 3 . 2 10 10 LYS N N 15 122.354 0.02 . . . . . . . 396 LYS N . 51786 3 44 . 3 . 2 11 11 ILE H H 1 8.465 0.00 . . . . . . . 397 ILE H . 51786 3 45 . 3 . 2 11 11 ILE C C 13 174.124 0.01 . . . . . . . 397 ILE C . 51786 3 46 . 3 . 2 11 11 ILE CA C 13 61.496 0.05 . . . . . . . 397 ILE CA . 51786 3 47 . 3 . 2 11 11 ILE CB C 13 38.600 0.01 . . . . . . . 397 ILE CB . 51786 3 48 . 3 . 2 11 11 ILE N N 15 123.924 0.02 . . . . . . . 397 ILE N . 51786 3 49 . 3 . 2 12 12 SER H H 1 7.808 0.00 . . . . . . . 398 SER H . 51786 3 50 . 3 . 2 12 12 SER C C 13 174.531 0.00 . . . . . . . 398 SER C . 51786 3 51 . 3 . 2 12 12 SER CA C 13 56.651 0.01 . . . . . . . 398 SER CA . 51786 3 52 . 3 . 2 12 12 SER CB C 13 65.728 0.01 . . . . . . . 398 SER CB . 51786 3 53 . 3 . 2 12 12 SER N N 15 121.699 0.02 . . . . . . . 398 SER N . 51786 3 54 . 3 . 2 13 13 LYS H H 1 8.952 0.00 . . . . . . . 399 LYS H . 51786 3 55 . 3 . 2 13 13 LYS C C 13 178.030 0.00 . . . . . . . 399 LYS C . 51786 3 56 . 3 . 2 13 13 LYS CA C 13 60.630 0.03 . . . . . . . 399 LYS CA . 51786 3 57 . 3 . 2 13 13 LYS CB C 13 32.092 0.01 . . . . . . . 399 LYS CB . 51786 3 58 . 3 . 2 13 13 LYS N N 15 122.272 0.02 . . . . . . . 399 LYS N . 51786 3 59 . 3 . 2 14 14 ARG H H 1 8.101 0.00 . . . . . . . 400 ARG H . 51786 3 60 . 3 . 2 14 14 ARG C C 13 178.024 0.00 . . . . . . . 400 ARG C . 51786 3 61 . 3 . 2 14 14 ARG CA C 13 59.504 0.01 . . . . . . . 400 ARG CA . 51786 3 62 . 3 . 2 14 14 ARG CB C 13 29.749 0.02 . . . . . . . 400 ARG CB . 51786 3 63 . 3 . 2 14 14 ARG N N 15 118.096 0.03 . . . . . . . 400 ARG N . 51786 3 64 . 3 . 2 15 15 LEU H H 1 7.580 0.00 . . . . . . . 401 LEU H . 51786 3 65 . 3 . 2 15 15 LEU C C 13 178.590 0.01 . . . . . . . 401 LEU C . 51786 3 66 . 3 . 2 15 15 LEU CA C 13 57.868 0.03 . . . . . . . 401 LEU CA . 51786 3 67 . 3 . 2 15 15 LEU CB C 13 41.954 0.01 . . . . . . . 401 LEU CB . 51786 3 68 . 3 . 2 15 15 LEU N N 15 121.359 0.01 . . . . . . . 401 LEU N . 51786 3 69 . 3 . 2 16 16 ILE H H 1 7.792 0.00 . . . . . . . 402 ILE H . 51786 3 70 . 3 . 2 16 16 ILE C C 13 177.177 0.01 . . . . . . . 402 ILE C . 51786 3 71 . 3 . 2 16 16 ILE CA C 13 66.394 0.01 . . . . . . . 402 ILE CA . 51786 3 72 . 3 . 2 16 16 ILE CB C 13 38.203 0.03 . . . . . . . 402 ILE CB . 51786 3 73 . 3 . 2 16 16 ILE N N 15 117.808 0.01 . . . . . . . 402 ILE N . 51786 3 74 . 3 . 2 17 17 LYS H H 1 8.182 0.00 . . . . . . . 403 LYS H . 51786 3 75 . 3 . 2 17 17 LYS C C 13 178.973 0.01 . . . . . . . 403 LYS C . 51786 3 76 . 3 . 2 17 17 LYS CA C 13 60.374 0.05 . . . . . . . 403 LYS CA . 51786 3 77 . 3 . 2 17 17 LYS CB C 13 32.355 0.01 . . . . . . . 403 LYS CB . 51786 3 78 . 3 . 2 17 17 LYS N N 15 116.995 0.01 . . . . . . . 403 LYS N . 51786 3 79 . 3 . 2 18 18 GLU H H 1 7.826 0.00 . . . . . . . 404 GLU H . 51786 3 80 . 3 . 2 18 18 GLU C C 13 179.883 0.01 . . . . . . . 404 GLU C . 51786 3 81 . 3 . 2 18 18 GLU CA C 13 59.342 0.03 . . . . . . . 404 GLU CA . 51786 3 82 . 3 . 2 18 18 GLU CB C 13 29.456 0.00 . . . . . . . 404 GLU CB . 51786 3 83 . 3 . 2 18 18 GLU N N 15 117.685 0.01 . . . . . . . 404 GLU N . 51786 3 84 . 3 . 2 19 19 LYS H H 1 7.979 0.00 . . . . . . . 405 LYS H . 51786 3 85 . 3 . 2 19 19 LYS C C 13 178.043 0.01 . . . . . . . 405 LYS C . 51786 3 86 . 3 . 2 19 19 LYS CA C 13 57.966 0.02 . . . . . . . 405 LYS CA . 51786 3 87 . 3 . 2 19 19 LYS CB C 13 29.846 0.06 . . . . . . . 405 LYS CB . 51786 3 88 . 3 . 2 19 19 LYS N N 15 120.334 0.01 . . . . . . . 405 LYS N . 51786 3 89 . 3 . 2 20 20 LEU H H 1 7.866 0.00 . . . . . . . 406 LEU H . 51786 3 90 . 3 . 2 20 20 LEU C C 13 178.075 0.00 . . . . . . . 406 LEU C . 51786 3 91 . 3 . 2 20 20 LEU CA C 13 56.993 0.03 . . . . . . . 406 LEU CA . 51786 3 92 . 3 . 2 20 20 LEU CB C 13 41.106 0.03 . . . . . . . 406 LEU CB . 51786 3 93 . 3 . 2 20 20 LEU N N 15 114.520 0.02 . . . . . . . 406 LEU N . 51786 3 94 . 3 . 2 21 21 LYS H H 1 7.164 0.00 . . . . . . . 407 LYS H . 51786 3 95 . 3 . 2 21 21 LYS C C 13 175.396 0.01 . . . . . . . 407 LYS C . 51786 3 96 . 3 . 2 21 21 LYS CA C 13 55.629 0.01 . . . . . . . 407 LYS CA . 51786 3 97 . 3 . 2 21 21 LYS CB C 13 32.764 0.01 . . . . . . . 407 LYS CB . 51786 3 98 . 3 . 2 21 21 LYS N N 15 114.874 0.01 . . . . . . . 407 LYS N . 51786 3 99 . 3 . 2 22 22 ASP H H 1 7.565 0.00 . . . . . . . 408 ASP H . 51786 3 100 . 3 . 2 22 22 ASP C C 13 175.862 0.01 . . . . . . . 408 ASP C . 51786 3 101 . 3 . 2 22 22 ASP CA C 13 53.276 0.06 . . . . . . . 408 ASP CA . 51786 3 102 . 3 . 2 22 22 ASP CB C 13 41.490 0.00 . . . . . . . 408 ASP CB . 51786 3 103 . 3 . 2 22 22 ASP N N 15 122.654 0.02 . . . . . . . 408 ASP N . 51786 3 104 . 3 . 2 23 23 GLU H H 1 8.930 0.00 . . . . . . . 409 GLU H . 51786 3 105 . 3 . 2 23 23 GLU C C 13 179.274 0.00 . . . . . . . 409 GLU C . 51786 3 106 . 3 . 2 23 23 GLU CA C 13 59.811 0.02 . . . . . . . 409 GLU CA . 51786 3 107 . 3 . 2 23 23 GLU CB C 13 29.831 0.01 . . . . . . . 409 GLU CB . 51786 3 108 . 3 . 2 23 23 GLU N N 15 126.850 0.02 . . . . . . . 409 GLU N . 51786 3 109 . 3 . 2 24 24 GLU H H 1 8.271 0.00 . . . . . . . 410 GLU H . 51786 3 110 . 3 . 2 24 24 GLU C C 13 179.409 0.02 . . . . . . . 410 GLU C . 51786 3 111 . 3 . 2 24 24 GLU CA C 13 59.040 0.05 . . . . . . . 410 GLU CA . 51786 3 112 . 3 . 2 24 24 GLU CB C 13 28.948 0.01 . . . . . . . 410 GLU CB . 51786 3 113 . 3 . 2 24 24 GLU N N 15 117.877 0.01 . . . . . . . 410 GLU N . 51786 3 114 . 3 . 2 25 25 PHE H H 1 8.027 0.00 . . . . . . . 411 PHE H . 51786 3 115 . 3 . 2 25 25 PHE C C 13 176.969 0.01 . . . . . . . 411 PHE C . 51786 3 116 . 3 . 2 25 25 PHE CA C 13 62.105 0.01 . . . . . . . 411 PHE CA . 51786 3 117 . 3 . 2 25 25 PHE CB C 13 38.788 0.01 . . . . . . . 411 PHE CB . 51786 3 118 . 3 . 2 25 25 PHE N N 15 124.372 0.02 . . . . . . . 411 PHE N . 51786 3 119 . 3 . 2 26 26 ILE H H 1 8.288 0.00 . . . . . . . 412 ILE H . 51786 3 120 . 3 . 2 26 26 ILE C C 13 178.474 0.01 . . . . . . . 412 ILE C . 51786 3 121 . 3 . 2 26 26 ILE CA C 13 62.362 0.03 . . . . . . . 412 ILE CA . 51786 3 122 . 3 . 2 26 26 ILE CB C 13 36.054 0.02 . . . . . . . 412 ILE CB . 51786 3 123 . 3 . 2 26 26 ILE N N 15 119.025 0.02 . . . . . . . 412 ILE N . 51786 3 124 . 3 . 2 27 27 LYS H H 1 8.022 0.00 . . . . . . . 413 LYS H . 51786 3 125 . 3 . 2 27 27 LYS C C 13 179.302 0.00 . . . . . . . 413 LYS C . 51786 3 126 . 3 . 2 27 27 LYS CA C 13 60.243 0.04 . . . . . . . 413 LYS CA . 51786 3 127 . 3 . 2 27 27 LYS CB C 13 32.783 0.02 . . . . . . . 413 LYS CB . 51786 3 128 . 3 . 2 27 27 LYS N N 15 119.252 0.02 . . . . . . . 413 LYS N . 51786 3 129 . 3 . 2 28 28 TRP H H 1 7.729 0.00 . . . . . . . 414 TRP H . 51786 3 130 . 3 . 2 28 28 TRP C C 13 176.542 0.01 . . . . . . . 414 TRP C . 51786 3 131 . 3 . 2 28 28 TRP CA C 13 61.846 0.04 . . . . . . . 414 TRP CA . 51786 3 132 . 3 . 2 28 28 TRP CB C 13 26.772 0.03 . . . . . . . 414 TRP CB . 51786 3 133 . 3 . 2 28 28 TRP N N 15 122.694 0.04 . . . . . . . 414 TRP N . 51786 3 134 . 3 . 2 29 29 VAL H H 1 8.322 0.00 . . . . . . . 415 VAL H . 51786 3 135 . 3 . 2 29 29 VAL C C 13 178.135 0.01 . . . . . . . 415 VAL C . 51786 3 136 . 3 . 2 29 29 VAL CA C 13 65.965 0.04 . . . . . . . 415 VAL CA . 51786 3 137 . 3 . 2 29 29 VAL CB C 13 30.989 0.02 . . . . . . . 415 VAL CB . 51786 3 138 . 3 . 2 29 29 VAL N N 15 120.392 0.01 . . . . . . . 415 VAL N . 51786 3 139 . 3 . 2 30 30 ASN H H 1 7.971 0.00 . . . . . . . 416 ASN H . 51786 3 140 . 3 . 2 30 30 ASN C C 13 178.270 0.01 . . . . . . . 416 ASN C . 51786 3 141 . 3 . 2 30 30 ASN CA C 13 56.089 0.04 . . . . . . . 416 ASN CA . 51786 3 142 . 3 . 2 30 30 ASN CB C 13 37.277 0.01 . . . . . . . 416 ASN CB . 51786 3 143 . 3 . 2 30 30 ASN N N 15 116.100 0.02 . . . . . . . 416 ASN N . 51786 3 144 . 3 . 2 31 31 LYS H H 1 7.752 0.00 . . . . . . . 417 LYS H . 51786 3 145 . 3 . 2 31 31 LYS C C 13 179.384 0.02 . . . . . . . 417 LYS C . 51786 3 146 . 3 . 2 31 31 LYS CA C 13 59.897 0.03 . . . . . . . 417 LYS CA . 51786 3 147 . 3 . 2 31 31 LYS CB C 13 32.343 0.02 . . . . . . . 417 LYS CB . 51786 3 148 . 3 . 2 31 31 LYS N N 15 122.778 0.02 . . . . . . . 417 LYS N . 51786 3 149 . 3 . 2 32 32 VAL H H 1 8.429 0.00 . . . . . . . 418 VAL H . 51786 3 150 . 3 . 2 32 32 VAL C C 13 177.702 0.00 . . . . . . . 418 VAL C . 51786 3 151 . 3 . 2 32 32 VAL CA C 13 67.477 0.03 . . . . . . . 418 VAL CA . 51786 3 152 . 3 . 2 32 32 VAL CB C 13 30.605 0.01 . . . . . . . 418 VAL CB . 51786 3 153 . 3 . 2 32 32 VAL N N 15 122.703 0.02 . . . . . . . 418 VAL N . 51786 3 154 . 3 . 2 33 33 GLU H H 1 8.686 0.00 . . . . . . . 419 GLU H . 51786 3 155 . 3 . 2 33 33 GLU C C 13 177.950 0.02 . . . . . . . 419 GLU C . 51786 3 156 . 3 . 2 33 33 GLU CA C 13 60.964 0.01 . . . . . . . 419 GLU CA . 51786 3 157 . 3 . 2 33 33 GLU CB C 13 28.884 0.02 . . . . . . . 419 GLU CB . 51786 3 158 . 3 . 2 33 33 GLU N N 15 120.723 0.02 . . . . . . . 419 GLU N . 51786 3 159 . 3 . 2 34 34 THR H H 1 7.832 0.00 . . . . . . . 420 THR H . 51786 3 160 . 3 . 2 34 34 THR C C 13 176.808 0.00 . . . . . . . 420 THR C . 51786 3 161 . 3 . 2 34 34 THR CA C 13 66.962 0.03 . . . . . . . 420 THR CA . 51786 3 162 . 3 . 2 34 34 THR CB C 13 68.883 0.00 . . . . . . . 420 THR CB . 51786 3 163 . 3 . 2 34 34 THR N N 15 114.643 0.02 . . . . . . . 420 THR N . 51786 3 164 . 3 . 2 35 35 VAL H H 1 7.739 0.00 . . . . . . . 421 VAL H . 51786 3 165 . 3 . 2 35 35 VAL C C 13 178.445 0.01 . . . . . . . 421 VAL C . 51786 3 166 . 3 . 2 35 35 VAL CA C 13 66.959 0.04 . . . . . . . 421 VAL CA . 51786 3 167 . 3 . 2 35 35 VAL CB C 13 31.519 0.03 . . . . . . . 421 VAL CB . 51786 3 168 . 3 . 2 35 35 VAL N N 15 123.693 0.02 . . . . . . . 421 VAL N . 51786 3 169 . 3 . 2 36 36 LEU H H 1 8.910 0.00 . . . . . . . 422 LEU H . 51786 3 170 . 3 . 2 36 36 LEU C C 13 178.417 0.01 . . . . . . . 422 LEU C . 51786 3 171 . 3 . 2 36 36 LEU CA C 13 58.224 0.02 . . . . . . . 422 LEU CA . 51786 3 172 . 3 . 2 36 36 LEU CB C 13 43.252 0.02 . . . . . . . 422 LEU CB . 51786 3 173 . 3 . 2 36 36 LEU N N 15 122.052 0.01 . . . . . . . 422 LEU N . 51786 3 174 . 3 . 2 37 37 ASN H H 1 8.610 0.00 . . . . . . . 423 ASN H . 51786 3 175 . 3 . 2 37 37 ASN C C 13 177.197 0.01 . . . . . . . 423 ASN C . 51786 3 176 . 3 . 2 37 37 ASN CA C 13 56.415 0.04 . . . . . . . 423 ASN CA . 51786 3 177 . 3 . 2 37 37 ASN CB C 13 39.369 0.02 . . . . . . . 423 ASN CB . 51786 3 178 . 3 . 2 37 37 ASN N N 15 115.773 0.01 . . . . . . . 423 ASN N . 51786 3 179 . 3 . 2 38 38 LYS H H 1 7.440 0.00 . . . . . . . 424 LYS H . 51786 3 180 . 3 . 2 38 38 LYS C C 13 178.759 0.00 . . . . . . . 424 LYS C . 51786 3 181 . 3 . 2 38 38 LYS CA C 13 57.732 0.05 . . . . . . . 424 LYS CA . 51786 3 182 . 3 . 2 38 38 LYS CB C 13 32.108 0.01 . . . . . . . 424 LYS CB . 51786 3 183 . 3 . 2 38 38 LYS N N 15 116.734 0.01 . . . . . . . 424 LYS N . 51786 3 184 . 3 . 2 39 39 MET H H 1 8.077 0.00 . . . . . . . 425 MET H . 51786 3 185 . 3 . 2 39 39 MET C C 13 176.830 0.01 . . . . . . . 425 MET C . 51786 3 186 . 3 . 2 39 39 MET CA C 13 58.619 0.02 . . . . . . . 425 MET CA . 51786 3 187 . 3 . 2 39 39 MET CB C 13 34.935 0.00 . . . . . . . 425 MET CB . 51786 3 188 . 3 . 2 39 39 MET N N 15 118.395 0.02 . . . . . . . 425 MET N . 51786 3 189 . 3 . 2 40 40 PHE H H 1 7.521 0.00 . . . . . . . 426 PHE H . 51786 3 190 . 3 . 2 40 40 PHE C C 13 174.875 0.01 . . . . . . . 426 PHE C . 51786 3 191 . 3 . 2 40 40 PHE CA C 13 56.616 0.03 . . . . . . . 426 PHE CA . 51786 3 192 . 3 . 2 40 40 PHE CB C 13 38.714 0.00 . . . . . . . 426 PHE CB . 51786 3 193 . 3 . 2 40 40 PHE N N 15 116.185 0.01 . . . . . . . 426 PHE N . 51786 3 194 . 3 . 2 41 41 GLU H H 1 7.746 0.00 . . . . . . . 427 GLU H . 51786 3 195 . 3 . 2 41 41 GLU C C 13 175.949 0.01 . . . . . . . 427 GLU C . 51786 3 196 . 3 . 2 41 41 GLU CA C 13 57.851 0.03 . . . . . . . 427 GLU CA . 51786 3 197 . 3 . 2 41 41 GLU CB C 13 30.465 0.01 . . . . . . . 427 GLU CB . 51786 3 198 . 3 . 2 41 41 GLU N N 15 122.305 0.00 . . . . . . . 427 GLU N . 51786 3 199 . 3 . 2 42 42 LYS H H 1 7.969 0.00 . . . . . . . 428 LYS H . 51786 3 200 . 3 . 2 42 42 LYS C C 13 180.942 0.00 . . . . . . . 428 LYS C . 51786 3 201 . 3 . 2 42 42 LYS CA C 13 57.946 0.02 . . . . . . . 428 LYS CA . 51786 3 202 . 3 . 2 42 42 LYS CB C 13 33.773 0.00 . . . . . . . 428 LYS CB . 51786 3 203 . 3 . 2 42 42 LYS N N 15 125.226 0.00 . . . . . . . 428 LYS N . 51786 3 stop_ save_