data_34437 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34437 _Entry.Title ; Structure of the BRK domain of the SWI/SNF chromatin remodelling complex subunit BRG1 reveals a potential role in protein-protein interactions ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-27 _Entry.Accession_date 2019-09-27 _Entry.Last_release_date 2019-11-06 _Entry.Original_release_date 2019-11-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34437 stop_ 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 M. Allen M. D. . . 34437 2 M. Bycoft M. . . . 34437 3 G. Zinzalla G. . . . 34437 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BRG1 . 34437 'BRK domain' . 34437 SWI/SNF . 34437 'UNKNOWN FUNCTION' . 34437 'chromatin remodelling' . 34437 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34437 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 172 34437 '15N chemical shifts' 48 34437 '1H chemical shifts' 338 34437 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 . . 2020-01-17 . original BMRB . 34437 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6SY2 . 34437 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34437 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31909846 _Citation.Full_citation . _Citation.Title ; Structure of the BRK domain of the SWI/SNF chromatin remodeling complex subunit BRG1 reveals a potential role in protein-protein interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 2020 _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 M. Allen M. D. . . 34437 1 2 M. Bycoft M. . . . 34437 1 3 G. Zinzalla G. . . . 34437 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34437 _Assembly.ID 1 _Assembly.Name 'Transcription activator BRG1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 entity_1 1 $entity_1 A A yes . . . . . . 34437 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34437 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SQMSDLPVKVIHVESGKILT GTDAPKAGQLEAWLEMNPGY EVAPRSDSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5287.906 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 610 SER . 34437 1 2 611 GLN . 34437 1 3 612 MET . 34437 1 4 613 SER . 34437 1 5 614 ASP . 34437 1 6 615 LEU . 34437 1 7 616 PRO . 34437 1 8 617 VAL . 34437 1 9 618 LYS . 34437 1 10 619 VAL . 34437 1 11 620 ILE . 34437 1 12 621 HIS . 34437 1 13 622 VAL . 34437 1 14 623 GLU . 34437 1 15 624 SER . 34437 1 16 625 GLY . 34437 1 17 626 LYS . 34437 1 18 627 ILE . 34437 1 19 628 LEU . 34437 1 20 629 THR . 34437 1 21 630 GLY . 34437 1 22 631 THR . 34437 1 23 632 ASP . 34437 1 24 633 ALA . 34437 1 25 634 PRO . 34437 1 26 635 LYS . 34437 1 27 636 ALA . 34437 1 28 637 GLY . 34437 1 29 638 GLN . 34437 1 30 639 LEU . 34437 1 31 640 GLU . 34437 1 32 641 ALA . 34437 1 33 642 TRP . 34437 1 34 643 LEU . 34437 1 35 644 GLU . 34437 1 36 645 MET . 34437 1 37 646 ASN . 34437 1 38 647 PRO . 34437 1 39 648 GLY . 34437 1 40 649 TYR . 34437 1 41 650 GLU . 34437 1 42 651 VAL . 34437 1 43 652 ALA . 34437 1 44 653 PRO . 34437 1 45 654 ARG . 34437 1 46 655 SER . 34437 1 47 656 ASP . 34437 1 48 657 SER . 34437 1 49 658 GLU . 34437 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 34437 1 . GLN 2 2 34437 1 . MET 3 3 34437 1 . SER 4 4 34437 1 . ASP 5 5 34437 1 . LEU 6 6 34437 1 . PRO 7 7 34437 1 . VAL 8 8 34437 1 . LYS 9 9 34437 1 . VAL 10 10 34437 1 . ILE 11 11 34437 1 . HIS 12 12 34437 1 . VAL 13 13 34437 1 . GLU 14 14 34437 1 . SER 15 15 34437 1 . GLY 16 16 34437 1 . LYS 17 17 34437 1 . ILE 18 18 34437 1 . LEU 19 19 34437 1 . THR 20 20 34437 1 . GLY 21 21 34437 1 . THR 22 22 34437 1 . ASP 23 23 34437 1 . ALA 24 24 34437 1 . PRO 25 25 34437 1 . LYS 26 26 34437 1 . ALA 27 27 34437 1 . GLY 28 28 34437 1 . GLN 29 29 34437 1 . LEU 30 30 34437 1 . GLU 31 31 34437 1 . ALA 32 32 34437 1 . TRP 33 33 34437 1 . LEU 34 34 34437 1 . GLU 35 35 34437 1 . MET 36 36 34437 1 . ASN 37 37 34437 1 . PRO 38 38 34437 1 . GLY 39 39 34437 1 . TYR 40 40 34437 1 . GLU 41 41 34437 1 . VAL 42 42 34437 1 . ALA 43 43 34437 1 . PRO 44 44 34437 1 . ARG 45 45 34437 1 . SER 46 46 34437 1 . ASP 47 47 34437 1 . SER 48 48 34437 1 . GLU 49 49 34437 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34437 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SMARCA4 . 34437 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34437 _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 BL21(DE3)' . . 469008 . . . C41 . plasmid . . HLTV . . . 34437 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34437 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] BRG1 BRK domain, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 'BRG1 BRK domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34437 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34437 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34437 1 4 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 34437 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34437 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 mM unlabelled BRG1 BRK domain, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 'BRG1 BRK domain' 'natural abundance' . . 1 $entity_1 . . 2 . . mM . . . . 34437 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34437 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34437 2 4 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 34437 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34437 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-10% 13C] BRG1 BRK domain, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 'BRG1 BRK domain' '[U-10% 13C]' . . 1 $entity_1 . . 1 . . mM . . . . 34437 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34437 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34437 3 4 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 34437 3 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 34437 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 140 . mM 34437 1 pH 6.5 0.05 pH 34437 1 pressure 1 0.01 atm 34437 1 temperature 293 0.1 K 34437 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34437 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34437 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34437 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34437 _Software.ID 2 _Software.Type . _Software.Name ANSIG _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 34437 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34437 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34437 _Software.ID 3 _Software.Type . _Software.Name Azara _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 34437 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34437 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 34437 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'All homonuclear experiments' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34437 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'All heteronuclear experiments' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34437 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 34437 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 34437 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34437 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34437 1 2 '2D TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34437 1 3 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34437 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 1 10 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 1 11 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34437 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 34437 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 carbons' . . . . ppm 0.0 external indirect 0.251449537 . . . . . 34437 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external indirect 1.0 . . . . . 34437 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0.0 internal indirect 0.10132912 . . . . . 34437 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 34437 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 NOESY' . . . 34437 1 2 '2D TOCSY' . . . 34437 1 3 '2D DQF-COSY' . . . 34437 1 4 '3D HNCACB' . . . 34437 1 5 '3D CBCA(CO)NH' . . . 34437 1 6 '2D 1H-13C HSQC aliphatic' . . . 34437 1 7 '2D 1H-13C HSQC' . . . 34437 1 8 '2D 1H-15N HSQC' . . . 34437 1 9 '3D HBHA(CO)NH' . . . 34437 1 10 '3D HNCACO' . . . 34437 1 11 '3D HNCO' . . . 34437 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.419 0.01 . 1 . . . . A 610 SER H1 . 34437 1 2 . 1 1 1 1 SER HA H 1 4.428 0.01 . 1 . . . . A 610 SER HA . 34437 1 3 . 1 1 1 1 SER HB2 H 1 3.819 0.01 . 2 . . . . A 610 SER HB2 . 34437 1 4 . 1 1 1 1 SER HB3 H 1 3.819 0.01 . 2 . . . . A 610 SER HB3 . 34437 1 5 . 1 1 1 1 SER C C 13 174.940 0.10 . 1 . . . . A 610 SER C . 34437 1 6 . 1 1 1 1 SER CA C 13 58.850 0.10 . 1 . . . . A 610 SER CA . 34437 1 7 . 1 1 1 1 SER CB C 13 64.460 0.10 . 1 . . . . A 610 SER CB . 34437 1 8 . 1 1 1 1 SER N N 15 115.910 0.10 . 1 . . . . A 610 SER N . 34437 1 9 . 1 1 2 2 GLN H H 1 8.569 0.01 . 1 . . . . A 611 GLN H . 34437 1 10 . 1 1 2 2 GLN HA H 1 4.320 0.01 . 1 . . . . A 611 GLN HA . 34437 1 11 . 1 1 2 2 GLN HB2 H 1 1.959 0.01 . 2 . . . . A 611 GLN HB2 . 34437 1 12 . 1 1 2 2 GLN HB3 H 1 2.089 0.01 . 2 . . . . A 611 GLN HB3 . 34437 1 13 . 1 1 2 2 GLN HG2 H 1 2.326 0.01 . 2 . . . . A 611 GLN HG2 . 34437 1 14 . 1 1 2 2 GLN HG3 H 1 2.326 0.01 . 2 . . . . A 611 GLN HG3 . 34437 1 15 . 1 1 2 2 GLN HE21 H 1 6.815 0.01 . 1 . . . . A 611 GLN HE21 . 34437 1 16 . 1 1 2 2 GLN HE22 H 1 7.496 0.01 . 1 . . . . A 611 GLN HE22 . 34437 1 17 . 1 1 2 2 GLN C C 13 176.700 0.10 . 1 . . . . A 611 GLN C . 34437 1 18 . 1 1 2 2 GLN CA C 13 56.640 0.10 . 1 . . . . A 611 GLN CA . 34437 1 19 . 1 1 2 2 GLN CB C 13 29.720 0.10 . 1 . . . . A 611 GLN CB . 34437 1 20 . 1 1 2 2 GLN CG C 13 32.430 0.10 . 1 . . . . A 611 GLN CG . 34437 1 21 . 1 1 2 2 GLN N N 15 122.150 0.10 . 1 . . . . A 611 GLN N . 34437 1 22 . 1 1 2 2 GLN NE2 N 15 112.570 0.10 . 1 . . . . A 611 GLN NE2 . 34437 1 23 . 1 1 3 3 MET H H 1 8.435 0.01 . 1 . . . . A 612 MET H . 34437 1 24 . 1 1 3 3 MET HA H 1 4.374 0.01 . 1 . . . . A 612 MET HA . 34437 1 25 . 1 1 3 3 MET HB2 H 1 2.061 0.01 . 2 . . . . A 612 MET HB2 . 34437 1 26 . 1 1 3 3 MET HB3 H 1 1.972 0.01 . 2 . . . . A 612 MET HB3 . 34437 1 27 . 1 1 3 3 MET HG2 H 1 2.497 0.01 . 2 . . . . A 612 MET HG2 . 34437 1 28 . 1 1 3 3 MET HG3 H 1 2.585 0.01 . 2 . . . . A 612 MET HG3 . 34437 1 29 . 1 1 3 3 MET HE1 H 1 2.065 0.01 . 1 . . . . A 612 MET HE1 . 34437 1 30 . 1 1 3 3 MET HE2 H 1 2.065 0.01 . 1 . . . . A 612 MET HE2 . 34437 1 31 . 1 1 3 3 MET HE3 H 1 2.065 0.01 . 1 . . . . A 612 MET HE3 . 34437 1 32 . 1 1 3 3 MET C C 13 177.100 0.10 . 1 . . . . A 612 MET C . 34437 1 33 . 1 1 3 3 MET CA C 13 56.500 0.10 . 1 . . . . A 612 MET CA . 34437 1 34 . 1 1 3 3 MET CB C 13 32.940 0.10 . 1 . . . . A 612 MET CB . 34437 1 35 . 1 1 3 3 MET CE C 13 15.730 0.10 . 1 . . . . A 612 MET CE . 34437 1 36 . 1 1 3 3 MET N N 15 121.380 0.10 . 1 . . . . A 612 MET N . 34437 1 37 . 1 1 4 4 SER H H 1 8.187 0.01 . 1 . . . . A 613 SER H . 34437 1 38 . 1 1 4 4 SER HA H 1 4.264 0.01 . 1 . . . . A 613 SER HA . 34437 1 39 . 1 1 4 4 SER HB2 H 1 3.780 0.01 . 2 . . . . A 613 SER HB2 . 34437 1 40 . 1 1 4 4 SER HB3 H 1 3.835 0.01 . 2 . . . . A 613 SER HB3 . 34437 1 41 . 1 1 4 4 SER C C 13 174.510 0.10 . 1 . . . . A 613 SER C . 34437 1 42 . 1 1 4 4 SER CA C 13 59.630 0.10 . 1 . . . . A 613 SER CA . 34437 1 43 . 1 1 4 4 SER CB C 13 64.220 0.10 . 1 . . . . A 613 SER CB . 34437 1 44 . 1 1 4 4 SER N N 15 115.480 0.10 . 1 . . . . A 613 SER N . 34437 1 45 . 1 1 5 5 ASP H H 1 8.209 0.01 . 1 . . . . A 614 ASP H . 34437 1 46 . 1 1 5 5 ASP HA H 1 4.669 0.01 . 1 . . . . A 614 ASP HA . 34437 1 47 . 1 1 5 5 ASP HB2 H 1 2.520 0.01 . 2 . . . . A 614 ASP HB2 . 34437 1 48 . 1 1 5 5 ASP HB3 H 1 2.684 0.01 . 2 . . . . A 614 ASP HB3 . 34437 1 49 . 1 1 5 5 ASP C C 13 175.490 0.10 . 1 . . . . A 614 ASP C . 34437 1 50 . 1 1 5 5 ASP CA C 13 54.470 0.10 . 1 . . . . A 614 ASP CA . 34437 1 51 . 1 1 5 5 ASP CB C 13 41.770 0.10 . 1 . . . . A 614 ASP CB . 34437 1 52 . 1 1 5 5 ASP N N 15 122.010 0.10 . 1 . . . . A 614 ASP N . 34437 1 53 . 1 1 6 6 LEU H H 1 7.641 0.01 . 1 . . . . A 615 LEU H . 34437 1 54 . 1 1 6 6 LEU HA H 1 4.499 0.01 . 1 . . . . A 615 LEU HA . 34437 1 55 . 1 1 6 6 LEU HB2 H 1 1.481 0.01 . 1 . . . . A 615 LEU HB2 . 34437 1 56 . 1 1 6 6 LEU HB3 H 1 1.567 0.01 . 1 . . . . A 615 LEU HB3 . 34437 1 57 . 1 1 6 6 LEU HG H 1 1.632 0.01 . 1 . . . . A 615 LEU HG . 34437 1 58 . 1 1 6 6 LEU HD11 H 1 0.897 0.01 . 2 . . . . A 615 LEU HD11 . 34437 1 59 . 1 1 6 6 LEU HD12 H 1 0.897 0.01 . 2 . . . . A 615 LEU HD12 . 34437 1 60 . 1 1 6 6 LEU HD13 H 1 0.897 0.01 . 2 . . . . A 615 LEU HD13 . 34437 1 61 . 1 1 6 6 LEU HD21 H 1 0.846 0.01 . 2 . . . . A 615 LEU HD21 . 34437 1 62 . 1 1 6 6 LEU HD22 H 1 0.846 0.01 . 2 . . . . A 615 LEU HD22 . 34437 1 63 . 1 1 6 6 LEU HD23 H 1 0.846 0.01 . 2 . . . . A 615 LEU HD23 . 34437 1 64 . 1 1 6 6 LEU C C 13 174.930 0.10 . 1 . . . . A 615 LEU C . 34437 1 65 . 1 1 6 6 LEU CA C 13 53.510 0.10 . 1 . . . . A 615 LEU CA . 34437 1 66 . 1 1 6 6 LEU CB C 13 42.900 0.10 . 1 . . . . A 615 LEU CB . 34437 1 67 . 1 1 6 6 LEU CD1 C 13 23.330 0.10 . 1 . . . . A 615 LEU CD1 . 34437 1 68 . 1 1 6 6 LEU CD2 C 13 21.560 0.10 . 1 . . . . A 615 LEU CD2 . 34437 1 69 . 1 1 6 6 LEU N N 15 122.510 0.10 . 1 . . . . A 615 LEU N . 34437 1 70 . 1 1 7 7 PRO HA H 1 4.376 0.01 . 1 . . . . A 616 PRO HA . 34437 1 71 . 1 1 7 7 PRO HB2 H 1 1.608 0.01 . 2 . . . . A 616 PRO HB2 . 34437 1 72 . 1 1 7 7 PRO HB3 H 1 2.156 0.01 . 2 . . . . A 616 PRO HB3 . 34437 1 73 . 1 1 7 7 PRO HG2 H 1 1.812 0.01 . 2 . . . . A 616 PRO HG2 . 34437 1 74 . 1 1 7 7 PRO HG3 H 1 1.934 0.01 . 2 . . . . A 616 PRO HG3 . 34437 1 75 . 1 1 7 7 PRO HD2 H 1 3.824 0.01 . 2 . . . . A 616 PRO HD2 . 34437 1 76 . 1 1 7 7 PRO HD3 H 1 3.531 0.01 . 2 . . . . A 616 PRO HD3 . 34437 1 77 . 1 1 7 7 PRO C C 13 174.540 0.10 . 1 . . . . A 616 PRO C . 34437 1 78 . 1 1 7 7 PRO CA C 13 63.020 0.10 . 1 . . . . A 616 PRO CA . 34437 1 79 . 1 1 7 7 PRO CB C 13 32.740 0.10 . 1 . . . . A 616 PRO CB . 34437 1 80 . 1 1 8 8 VAL H H 1 8.445 0.01 . 1 . . . . A 617 VAL H . 34437 1 81 . 1 1 8 8 VAL HA H 1 3.933 0.01 . 1 . . . . A 617 VAL HA . 34437 1 82 . 1 1 8 8 VAL HB H 1 1.717 0.01 . 1 . . . . A 617 VAL HB . 34437 1 83 . 1 1 8 8 VAL HG11 H 1 0.808 0.01 . 2 . . . . A 617 VAL HG11 . 34437 1 84 . 1 1 8 8 VAL HG12 H 1 0.808 0.01 . 2 . . . . A 617 VAL HG12 . 34437 1 85 . 1 1 8 8 VAL HG13 H 1 0.808 0.01 . 2 . . . . A 617 VAL HG13 . 34437 1 86 . 1 1 8 8 VAL HG21 H 1 0.807 0.01 . 2 . . . . A 617 VAL HG21 . 34437 1 87 . 1 1 8 8 VAL HG22 H 1 0.807 0.01 . 2 . . . . A 617 VAL HG22 . 34437 1 88 . 1 1 8 8 VAL HG23 H 1 0.807 0.01 . 2 . . . . A 617 VAL HG23 . 34437 1 89 . 1 1 8 8 VAL C C 13 173.960 0.10 . 1 . . . . A 617 VAL C . 34437 1 90 . 1 1 8 8 VAL CA C 13 62.060 0.10 . 1 . . . . A 617 VAL CA . 34437 1 91 . 1 1 8 8 VAL CB C 13 33.640 0.10 . 1 . . . . A 617 VAL CB . 34437 1 92 . 1 1 8 8 VAL CG1 C 13 19.840 0.10 . 2 . . . . A 617 VAL CG1 . 34437 1 93 . 1 1 8 8 VAL CG2 C 13 20.120 0.10 . 2 . . . . A 617 VAL CG2 . 34437 1 94 . 1 1 8 8 VAL N N 15 124.250 0.10 . 1 . . . . A 617 VAL N . 34437 1 95 . 1 1 9 9 LYS H H 1 7.981 0.01 . 1 . . . . A 618 LYS H . 34437 1 96 . 1 1 9 9 LYS HA H 1 4.447 0.01 . 1 . . . . A 618 LYS HA . 34437 1 97 . 1 1 9 9 LYS HB2 H 1 1.571 0.01 . 2 . . . . A 618 LYS HB2 . 34437 1 98 . 1 1 9 9 LYS HB3 H 1 1.687 0.01 . 2 . . . . A 618 LYS HB3 . 34437 1 99 . 1 1 9 9 LYS HG2 H 1 1.166 0.01 . 2 . . . . A 618 LYS HG2 . 34437 1 100 . 1 1 9 9 LYS HG3 H 1 1.475 0.01 . 2 . . . . A 618 LYS HG3 . 34437 1 101 . 1 1 9 9 LYS HD2 H 1 1.584 0.01 . 2 . . . . A 618 LYS HD2 . 34437 1 102 . 1 1 9 9 LYS HD3 H 1 1.584 0.01 . 2 . . . . A 618 LYS HD3 . 34437 1 103 . 1 1 9 9 LYS HE2 H 1 2.816 0.01 . 2 . . . . A 618 LYS HE2 . 34437 1 104 . 1 1 9 9 LYS HE3 H 1 2.866 0.01 . 2 . . . . A 618 LYS HE3 . 34437 1 105 . 1 1 9 9 LYS C C 13 176.990 0.10 . 1 . . . . A 618 LYS C . 34437 1 106 . 1 1 9 9 LYS CA C 13 57.500 0.10 . 1 . . . . A 618 LYS CA . 34437 1 107 . 1 1 9 9 LYS CB C 13 33.730 0.10 . 1 . . . . A 618 LYS CB . 34437 1 108 . 1 1 9 9 LYS CE C 13 38.500 0.10 . 1 . . . . A 618 LYS CE . 34437 1 109 . 1 1 9 9 LYS N N 15 124.060 0.10 . 1 . . . . A 618 LYS N . 34437 1 110 . 1 1 10 10 VAL H H 1 7.939 0.01 . 1 . . . . A 619 VAL H . 34437 1 111 . 1 1 10 10 VAL HA H 1 5.120 0.01 . 1 . . . . A 619 VAL HA . 34437 1 112 . 1 1 10 10 VAL HB H 1 2.122 0.01 . 1 . . . . A 619 VAL HB . 34437 1 113 . 1 1 10 10 VAL HG11 H 1 0.683 0.01 . 2 . . . . A 619 VAL HG11 . 34437 1 114 . 1 1 10 10 VAL HG12 H 1 0.683 0.01 . 2 . . . . A 619 VAL HG12 . 34437 1 115 . 1 1 10 10 VAL HG13 H 1 0.683 0.01 . 2 . . . . A 619 VAL HG13 . 34437 1 116 . 1 1 10 10 VAL HG21 H 1 0.667 0.01 . 2 . . . . A 619 VAL HG21 . 34437 1 117 . 1 1 10 10 VAL HG22 H 1 0.667 0.01 . 2 . . . . A 619 VAL HG22 . 34437 1 118 . 1 1 10 10 VAL HG23 H 1 0.667 0.01 . 2 . . . . A 619 VAL HG23 . 34437 1 119 . 1 1 10 10 VAL C C 13 173.450 0.10 . 1 . . . . A 619 VAL C . 34437 1 120 . 1 1 10 10 VAL CA C 13 59.530 0.10 . 1 . . . . A 619 VAL CA . 34437 1 121 . 1 1 10 10 VAL CB C 13 36.480 0.10 . 1 . . . . A 619 VAL CB . 34437 1 122 . 1 1 10 10 VAL CG1 C 13 19.930 0.10 . 1 . . . . A 619 VAL CG1 . 34437 1 123 . 1 1 10 10 VAL CG2 C 13 18.110 0.10 . 1 . . . . A 619 VAL CG2 . 34437 1 124 . 1 1 10 10 VAL N N 15 117.000 0.10 . 1 . . . . A 619 VAL N . 34437 1 125 . 1 1 11 11 ILE H H 1 9.499 0.01 . 1 . . . . A 620 ILE H . 34437 1 126 . 1 1 11 11 ILE HA H 1 5.165 0.01 . 1 . . . . A 620 ILE HA . 34437 1 127 . 1 1 11 11 ILE HB H 1 1.457 0.01 . 1 . . . . A 620 ILE HB . 34437 1 128 . 1 1 11 11 ILE HG12 H 1 1.296 0.01 . 2 . . . . A 620 ILE HG12 . 34437 1 129 . 1 1 11 11 ILE HG13 H 1 1.296 0.01 . 2 . . . . A 620 ILE HG13 . 34437 1 130 . 1 1 11 11 ILE HG21 H 1 0.779 0.01 . 1 . . . . A 620 ILE HG21 . 34437 1 131 . 1 1 11 11 ILE HG22 H 1 0.779 0.01 . 1 . . . . A 620 ILE HG22 . 34437 1 132 . 1 1 11 11 ILE HG23 H 1 0.779 0.01 . 1 . . . . A 620 ILE HG23 . 34437 1 133 . 1 1 11 11 ILE HD11 H 1 0.780 0.01 . 1 . . . . A 620 ILE HD11 . 34437 1 134 . 1 1 11 11 ILE HD12 H 1 0.780 0.01 . 1 . . . . A 620 ILE HD12 . 34437 1 135 . 1 1 11 11 ILE HD13 H 1 0.780 0.01 . 1 . . . . A 620 ILE HD13 . 34437 1 136 . 1 1 11 11 ILE C C 13 174.020 0.10 . 1 . . . . A 620 ILE C . 34437 1 137 . 1 1 11 11 ILE CA C 13 58.780 0.10 . 1 . . . . A 620 ILE CA . 34437 1 138 . 1 1 11 11 ILE CB C 13 43.720 0.10 . 1 . . . . A 620 ILE CB . 34437 1 139 . 1 1 11 11 ILE CG2 C 13 16.410 0.10 . 1 . . . . A 620 ILE CG2 . 34437 1 140 . 1 1 11 11 ILE CD1 C 13 11.770 0.10 . 1 . . . . A 620 ILE CD1 . 34437 1 141 . 1 1 11 11 ILE N N 15 120.080 0.10 . 1 . . . . A 620 ILE N . 34437 1 142 . 1 1 12 12 HIS H H 1 9.119 0.01 . 1 . . . . A 621 HIS H . 34437 1 143 . 1 1 12 12 HIS HA H 1 3.971 0.01 . 1 . . . . A 621 HIS HA . 34437 1 144 . 1 1 12 12 HIS HB2 H 1 2.394 0.01 . 1 . . . . A 621 HIS HB2 . 34437 1 145 . 1 1 12 12 HIS HB3 H 1 3.028 0.01 . 1 . . . . A 621 HIS HB3 . 34437 1 146 . 1 1 12 12 HIS HD2 H 1 6.105 0.01 . 1 . . . . A 621 HIS HD2 . 34437 1 147 . 1 1 12 12 HIS HE1 H 1 7.763 0.01 . 1 . . . . A 621 HIS HE1 . 34437 1 148 . 1 1 12 12 HIS C C 13 175.840 0.10 . 1 . . . . A 621 HIS C . 34437 1 149 . 1 1 12 12 HIS CA C 13 56.310 0.10 . 1 . . . . A 621 HIS CA . 34437 1 150 . 1 1 12 12 HIS CB C 13 30.490 0.10 . 1 . . . . A 621 HIS CB . 34437 1 151 . 1 1 12 12 HIS N N 15 129.290 0.10 . 1 . . . . A 621 HIS N . 34437 1 152 . 1 1 13 13 VAL H H 1 7.715 0.01 . 1 . . . . A 622 VAL H . 34437 1 153 . 1 1 13 13 VAL HA H 1 3.239 0.01 . 1 . . . . A 622 VAL HA . 34437 1 154 . 1 1 13 13 VAL HB H 1 1.744 0.01 . 1 . . . . A 622 VAL HB . 34437 1 155 . 1 1 13 13 VAL HG11 H 1 0.738 0.01 . 2 . . . . A 622 VAL HG11 . 34437 1 156 . 1 1 13 13 VAL HG12 H 1 0.738 0.01 . 2 . . . . A 622 VAL HG12 . 34437 1 157 . 1 1 13 13 VAL HG13 H 1 0.738 0.01 . 2 . . . . A 622 VAL HG13 . 34437 1 158 . 1 1 13 13 VAL HG21 H 1 0.802 0.01 . 2 . . . . A 622 VAL HG21 . 34437 1 159 . 1 1 13 13 VAL HG22 H 1 0.802 0.01 . 2 . . . . A 622 VAL HG22 . 34437 1 160 . 1 1 13 13 VAL HG23 H 1 0.802 0.01 . 2 . . . . A 622 VAL HG23 . 34437 1 161 . 1 1 13 13 VAL CB C 13 31.630 0.10 . 1 . . . . A 622 VAL CB . 34437 1 162 . 1 1 13 13 VAL CG1 C 13 19.230 0.10 . 1 . . . . A 622 VAL CG1 . 34437 1 163 . 1 1 13 13 VAL CG2 C 13 18.870 0.10 . 1 . . . . A 622 VAL CG2 . 34437 1 164 . 1 1 13 13 VAL N N 15 127.960 0.10 . 1 . . . . A 622 VAL N . 34437 1 165 . 1 1 14 14 GLU H H 1 8.500 0.01 . 1 . . . . A 623 GLU H . 34437 1 166 . 1 1 14 14 GLU HB2 H 1 1.785 0.01 . 2 . . . . A 623 GLU HB2 . 34437 1 167 . 1 1 14 14 GLU HB3 H 1 1.785 0.01 . 2 . . . . A 623 GLU HB3 . 34437 1 168 . 1 1 14 14 GLU HG2 H 1 2.168 0.01 . 2 . . . . A 623 GLU HG2 . 34437 1 169 . 1 1 14 14 GLU HG3 H 1 2.060 0.01 . 2 . . . . A 623 GLU HG3 . 34437 1 170 . 1 1 14 14 GLU C C 13 177.450 0.10 . 1 . . . . A 623 GLU C . 34437 1 171 . 1 1 14 14 GLU CA C 13 59.680 0.10 . 1 . . . . A 623 GLU CA . 34437 1 172 . 1 1 14 14 GLU CB C 13 30.400 0.10 . 1 . . . . A 623 GLU CB . 34437 1 173 . 1 1 15 15 SER H H 1 7.775 0.01 . 1 . . . . A 624 SER H . 34437 1 174 . 1 1 15 15 SER HA H 1 4.523 0.01 . 1 . . . . A 624 SER HA . 34437 1 175 . 1 1 15 15 SER HB2 H 1 3.942 0.01 . 2 . . . . A 624 SER HB2 . 34437 1 176 . 1 1 15 15 SER HB3 H 1 3.942 0.01 . 2 . . . . A 624 SER HB3 . 34437 1 177 . 1 1 15 15 SER C C 13 176.670 0.10 . 1 . . . . A 624 SER C . 34437 1 178 . 1 1 15 15 SER CA C 13 59.570 0.10 . 1 . . . . A 624 SER CA . 34437 1 179 . 1 1 15 15 SER CB C 13 65.450 0.10 . 1 . . . . A 624 SER CB . 34437 1 180 . 1 1 15 15 SER N N 15 111.320 0.10 . 1 . . . . A 624 SER N . 34437 1 181 . 1 1 16 16 GLY H H 1 8.692 0.01 . 1 . . . . A 625 GLY H . 34437 1 182 . 1 1 16 16 GLY HA2 H 1 4.133 0.01 . 2 . . . . A 625 GLY HA2 . 34437 1 183 . 1 1 16 16 GLY HA3 H 1 3.608 0.01 . 2 . . . . A 625 GLY HA3 . 34437 1 184 . 1 1 16 16 GLY C C 13 173.640 0.10 . 1 . . . . A 625 GLY C . 34437 1 185 . 1 1 16 16 GLY CA C 13 46.060 0.10 . 1 . . . . A 625 GLY CA . 34437 1 186 . 1 1 16 16 GLY N N 15 113.930 0.10 . 1 . . . . A 625 GLY N . 34437 1 187 . 1 1 17 17 LYS H H 1 7.710 0.01 . 1 . . . . A 626 LYS H . 34437 1 188 . 1 1 17 17 LYS HA H 1 4.159 0.01 . 1 . . . . A 626 LYS HA . 34437 1 189 . 1 1 17 17 LYS HB2 H 1 1.740 0.01 . 2 . . . . A 626 LYS HB2 . 34437 1 190 . 1 1 17 17 LYS HB3 H 1 1.740 0.01 . 2 . . . . A 626 LYS HB3 . 34437 1 191 . 1 1 17 17 LYS HG2 H 1 1.410 0.01 . 2 . . . . A 626 LYS HG2 . 34437 1 192 . 1 1 17 17 LYS HG3 H 1 1.307 0.01 . 2 . . . . A 626 LYS HG3 . 34437 1 193 . 1 1 17 17 LYS HD2 H 1 1.637 0.01 . 2 . . . . A 626 LYS HD2 . 34437 1 194 . 1 1 17 17 LYS HD3 H 1 1.637 0.01 . 2 . . . . A 626 LYS HD3 . 34437 1 195 . 1 1 17 17 LYS HE2 H 1 2.925 0.01 . 2 . . . . A 626 LYS HE2 . 34437 1 196 . 1 1 17 17 LYS HE3 H 1 2.925 0.01 . 2 . . . . A 626 LYS HE3 . 34437 1 197 . 1 1 17 17 LYS C C 13 175.360 0.10 . 1 . . . . A 626 LYS C . 34437 1 198 . 1 1 17 17 LYS CA C 13 57.710 0.10 . 1 . . . . A 626 LYS CA . 34437 1 199 . 1 1 17 17 LYS CB C 13 34.040 0.10 . 1 . . . . A 626 LYS CB . 34437 1 200 . 1 1 17 17 LYS CE C 13 38.790 0.10 . 1 . . . . A 626 LYS CE . 34437 1 201 . 1 1 17 17 LYS N N 15 121.010 0.10 . 1 . . . . A 626 LYS N . 34437 1 202 . 1 1 18 18 ILE H H 1 8.358 0.01 . 1 . . . . A 627 ILE H . 34437 1 203 . 1 1 18 18 ILE HA H 1 4.923 0.01 . 1 . . . . A 627 ILE HA . 34437 1 204 . 1 1 18 18 ILE HB H 1 1.676 0.01 . 1 . . . . A 627 ILE HB . 34437 1 205 . 1 1 18 18 ILE HG12 H 1 1.602 0.01 . 2 . . . . A 627 ILE HG12 . 34437 1 206 . 1 1 18 18 ILE HG13 H 1 1.602 0.01 . 2 . . . . A 627 ILE HG13 . 34437 1 207 . 1 1 18 18 ILE HG21 H 1 0.779 0.01 . 1 . . . . A 627 ILE HG21 . 34437 1 208 . 1 1 18 18 ILE HG22 H 1 0.779 0.01 . 1 . . . . A 627 ILE HG22 . 34437 1 209 . 1 1 18 18 ILE HG23 H 1 0.779 0.01 . 1 . . . . A 627 ILE HG23 . 34437 1 210 . 1 1 18 18 ILE HD11 H 1 0.820 0.01 . 1 . . . . A 627 ILE HD11 . 34437 1 211 . 1 1 18 18 ILE HD12 H 1 0.820 0.01 . 1 . . . . A 627 ILE HD12 . 34437 1 212 . 1 1 18 18 ILE HD13 H 1 0.820 0.01 . 1 . . . . A 627 ILE HD13 . 34437 1 213 . 1 1 18 18 ILE C C 13 176.910 0.10 . 1 . . . . A 627 ILE C . 34437 1 214 . 1 1 18 18 ILE CA C 13 60.520 0.10 . 1 . . . . A 627 ILE CA . 34437 1 215 . 1 1 18 18 ILE CB C 13 40.590 0.10 . 1 . . . . A 627 ILE CB . 34437 1 216 . 1 1 18 18 ILE CG2 C 13 14.670 0.10 . 1 . . . . A 627 ILE CG2 . 34437 1 217 . 1 1 18 18 ILE CD1 C 13 12.570 0.10 . 1 . . . . A 627 ILE CD1 . 34437 1 218 . 1 1 18 18 ILE N N 15 124.880 0.10 . 1 . . . . A 627 ILE N . 34437 1 219 . 1 1 19 19 LEU H H 1 8.793 0.01 . 1 . . . . A 628 LEU H . 34437 1 220 . 1 1 19 19 LEU HA H 1 4.784 0.01 . 1 . . . . A 628 LEU HA . 34437 1 221 . 1 1 19 19 LEU HB2 H 1 1.077 0.01 . 1 . . . . A 628 LEU HB2 . 34437 1 222 . 1 1 19 19 LEU HB3 H 1 1.597 0.01 . 1 . . . . A 628 LEU HB3 . 34437 1 223 . 1 1 19 19 LEU HG H 1 1.601 0.01 . 1 . . . . A 628 LEU HG . 34437 1 224 . 1 1 19 19 LEU HD11 H 1 0.615 0.01 . 2 . . . . A 628 LEU HD11 . 34437 1 225 . 1 1 19 19 LEU HD12 H 1 0.615 0.01 . 2 . . . . A 628 LEU HD12 . 34437 1 226 . 1 1 19 19 LEU HD13 H 1 0.615 0.01 . 2 . . . . A 628 LEU HD13 . 34437 1 227 . 1 1 19 19 LEU HD21 H 1 0.815 0.01 . 2 . . . . A 628 LEU HD21 . 34437 1 228 . 1 1 19 19 LEU HD22 H 1 0.815 0.01 . 2 . . . . A 628 LEU HD22 . 34437 1 229 . 1 1 19 19 LEU HD23 H 1 0.815 0.01 . 2 . . . . A 628 LEU HD23 . 34437 1 230 . 1 1 19 19 LEU C C 13 175.620 0.10 . 1 . . . . A 628 LEU C . 34437 1 231 . 1 1 19 19 LEU CA C 13 54.650 0.10 . 1 . . . . A 628 LEU CA . 34437 1 232 . 1 1 19 19 LEU CB C 13 43.050 0.10 . 1 . . . . A 628 LEU CB . 34437 1 233 . 1 1 19 19 LEU CD1 C 13 21.520 0.10 . 2 . . . . A 628 LEU CD1 . 34437 1 234 . 1 1 19 19 LEU CD2 C 13 23.980 0.10 . 2 . . . . A 628 LEU CD2 . 34437 1 235 . 1 1 19 19 LEU N N 15 127.600 0.10 . 1 . . . . A 628 LEU N . 34437 1 236 . 1 1 20 20 THR H H 1 8.313 0.01 . 1 . . . . A 629 THR H . 34437 1 237 . 1 1 20 20 THR HA H 1 4.508 0.01 . 1 . . . . A 629 THR HA . 34437 1 238 . 1 1 20 20 THR HB H 1 4.105 0.01 . 1 . . . . A 629 THR HB . 34437 1 239 . 1 1 20 20 THR HG21 H 1 1.082 0.01 . 1 . . . . A 629 THR HG21 . 34437 1 240 . 1 1 20 20 THR HG22 H 1 1.082 0.01 . 1 . . . . A 629 THR HG22 . 34437 1 241 . 1 1 20 20 THR HG23 H 1 1.082 0.01 . 1 . . . . A 629 THR HG23 . 34437 1 242 . 1 1 20 20 THR C C 13 174.800 0.10 . 1 . . . . A 629 THR C . 34437 1 243 . 1 1 20 20 THR CA C 13 59.760 0.10 . 1 . . . . A 629 THR CA . 34437 1 244 . 1 1 20 20 THR CB C 13 72.230 0.10 . 1 . . . . A 629 THR CB . 34437 1 245 . 1 1 20 20 THR CG2 C 13 19.590 0.10 . 1 . . . . A 629 THR CG2 . 34437 1 246 . 1 1 20 20 THR N N 15 112.020 0.10 . 1 . . . . A 629 THR N . 34437 1 247 . 1 1 21 21 GLY H H 1 8.495 0.01 . 1 . . . . A 630 GLY H . 34437 1 248 . 1 1 21 21 GLY HA2 H 1 3.907 0.01 . 2 . . . . A 630 GLY HA2 . 34437 1 249 . 1 1 21 21 GLY HA3 H 1 3.705 0.01 . 2 . . . . A 630 GLY HA3 . 34437 1 250 . 1 1 21 21 GLY C C 13 176.470 0.10 . 1 . . . . A 630 GLY C . 34437 1 251 . 1 1 21 21 GLY CA C 13 46.530 0.10 . 1 . . . . A 630 GLY CA . 34437 1 252 . 1 1 21 21 GLY N N 15 109.190 0.10 . 1 . . . . A 630 GLY N . 34437 1 253 . 1 1 22 22 THR H H 1 8.507 0.01 . 1 . . . . A 631 THR H . 34437 1 254 . 1 1 22 22 THR HA H 1 3.995 0.01 . 1 . . . . A 631 THR HA . 34437 1 255 . 1 1 22 22 THR HB H 1 4.276 0.01 . 1 . . . . A 631 THR HB . 34437 1 256 . 1 1 22 22 THR HG21 H 1 1.211 0.01 . 1 . . . . A 631 THR HG21 . 34437 1 257 . 1 1 22 22 THR HG22 H 1 1.211 0.01 . 1 . . . . A 631 THR HG22 . 34437 1 258 . 1 1 22 22 THR HG23 H 1 1.211 0.01 . 1 . . . . A 631 THR HG23 . 34437 1 259 . 1 1 22 22 THR C C 13 175.290 0.10 . 1 . . . . A 631 THR C . 34437 1 260 . 1 1 22 22 THR CA C 13 64.490 0.10 . 1 . . . . A 631 THR CA . 34437 1 261 . 1 1 22 22 THR CB C 13 69.150 0.10 . 1 . . . . A 631 THR CB . 34437 1 262 . 1 1 22 22 THR CG2 C 13 20.210 0.10 . 1 . . . . A 631 THR CG2 . 34437 1 263 . 1 1 22 22 THR N N 15 116.170 0.10 . 1 . . . . A 631 THR N . 34437 1 264 . 1 1 23 23 ASP H H 1 7.848 0.01 . 1 . . . . A 632 ASP H . 34437 1 265 . 1 1 23 23 ASP HA H 1 4.529 0.01 . 1 . . . . A 632 ASP HA . 34437 1 266 . 1 1 23 23 ASP HB2 H 1 2.722 0.01 . 2 . . . . A 632 ASP HB2 . 34437 1 267 . 1 1 23 23 ASP HB3 H 1 2.722 0.01 . 2 . . . . A 632 ASP HB3 . 34437 1 268 . 1 1 23 23 ASP C C 13 175.110 0.10 . 1 . . . . A 632 ASP C . 34437 1 269 . 1 1 23 23 ASP CA C 13 55.280 0.10 . 1 . . . . A 632 ASP CA . 34437 1 270 . 1 1 23 23 ASP CB C 13 42.180 0.10 . 1 . . . . A 632 ASP CB . 34437 1 271 . 1 1 23 23 ASP N N 15 118.350 0.10 . 1 . . . . A 632 ASP N . 34437 1 272 . 1 1 24 24 ALA H H 1 6.979 0.01 . 1 . . . . A 633 ALA H . 34437 1 273 . 1 1 24 24 ALA HA H 1 3.787 0.01 . 1 . . . . A 633 ALA HA . 34437 1 274 . 1 1 24 24 ALA HB1 H 1 0.990 0.01 . 1 . . . . A 633 ALA HB1 . 34437 1 275 . 1 1 24 24 ALA HB2 H 1 0.990 0.01 . 1 . . . . A 633 ALA HB2 . 34437 1 276 . 1 1 24 24 ALA HB3 H 1 0.990 0.01 . 1 . . . . A 633 ALA HB3 . 34437 1 277 . 1 1 24 24 ALA C C 13 174.370 0.10 . 1 . . . . A 633 ALA C . 34437 1 278 . 1 1 24 24 ALA CA C 13 49.800 0.10 . 1 . . . . A 633 ALA CA . 34437 1 279 . 1 1 24 24 ALA CB C 13 18.330 0.10 . 1 . . . . A 633 ALA CB . 34437 1 280 . 1 1 24 24 ALA N N 15 122.700 0.10 . 1 . . . . A 633 ALA N . 34437 1 281 . 1 1 25 25 PRO HA H 1 3.839 0.01 . 1 . . . . A 634 PRO HA . 34437 1 282 . 1 1 25 25 PRO HB2 H 1 1.226 0.01 . 2 . . . . A 634 PRO HB2 . 34437 1 283 . 1 1 25 25 PRO HB3 H 1 0.931 0.01 . 2 . . . . A 634 PRO HB3 . 34437 1 284 . 1 1 25 25 PRO HG2 H 1 1.478 0.01 . 2 . . . . A 634 PRO HG2 . 34437 1 285 . 1 1 25 25 PRO HG3 H 1 1.348 0.01 . 2 . . . . A 634 PRO HG3 . 34437 1 286 . 1 1 25 25 PRO HD2 H 1 3.056 0.01 . 2 . . . . A 634 PRO HD2 . 34437 1 287 . 1 1 25 25 PRO HD3 H 1 3.056 0.01 . 2 . . . . A 634 PRO HD3 . 34437 1 288 . 1 1 25 25 PRO C C 13 175.630 0.10 . 1 . . . . A 634 PRO C . 34437 1 289 . 1 1 25 25 PRO CA C 13 61.960 0.10 . 1 . . . . A 634 PRO CA . 34437 1 290 . 1 1 25 25 PRO CB C 13 31.390 0.10 . 1 . . . . A 634 PRO CB . 34437 1 291 . 1 1 26 26 LYS H H 1 7.879 0.01 . 1 . . . . A 635 LYS H . 34437 1 292 . 1 1 26 26 LYS HA H 1 4.259 0.01 . 1 . . . . A 635 LYS HA . 34437 1 293 . 1 1 26 26 LYS HB2 H 1 1.496 0.01 . 2 . . . . A 635 LYS HB2 . 34437 1 294 . 1 1 26 26 LYS HB3 H 1 1.842 0.01 . 2 . . . . A 635 LYS HB3 . 34437 1 295 . 1 1 26 26 LYS HG2 H 1 1.227 0.01 . 2 . . . . A 635 LYS HG2 . 34437 1 296 . 1 1 26 26 LYS HG3 H 1 1.378 0.01 . 2 . . . . A 635 LYS HG3 . 34437 1 297 . 1 1 26 26 LYS HD2 H 1 1.529 0.01 . 2 . . . . A 635 LYS HD2 . 34437 1 298 . 1 1 26 26 LYS HD3 H 1 1.457 0.01 . 2 . . . . A 635 LYS HD3 . 34437 1 299 . 1 1 26 26 LYS HE2 H 1 2.897 0.01 . 2 . . . . A 635 LYS HE2 . 34437 1 300 . 1 1 26 26 LYS HE3 H 1 2.897 0.01 . 2 . . . . A 635 LYS HE3 . 34437 1 301 . 1 1 26 26 LYS C C 13 179.040 0.10 . 1 . . . . A 635 LYS C . 34437 1 302 . 1 1 26 26 LYS CA C 13 55.390 0.10 . 1 . . . . A 635 LYS CA . 34437 1 303 . 1 1 26 26 LYS CB C 13 33.660 0.10 . 1 . . . . A 635 LYS CB . 34437 1 304 . 1 1 26 26 LYS CE C 13 38.960 0.10 . 1 . . . . A 635 LYS CE . 34437 1 305 . 1 1 26 26 LYS N N 15 117.450 0.10 . 1 . . . . A 635 LYS N . 34437 1 306 . 1 1 27 27 ALA H H 1 8.683 0.01 . 1 . . . . A 636 ALA H . 34437 1 307 . 1 1 27 27 ALA HA H 1 3.786 0.01 . 1 . . . . A 636 ALA HA . 34437 1 308 . 1 1 27 27 ALA HB1 H 1 1.376 0.01 . 1 . . . . A 636 ALA HB1 . 34437 1 309 . 1 1 27 27 ALA HB2 H 1 1.376 0.01 . 1 . . . . A 636 ALA HB2 . 34437 1 310 . 1 1 27 27 ALA HB3 H 1 1.376 0.01 . 1 . . . . A 636 ALA HB3 . 34437 1 311 . 1 1 27 27 ALA C C 13 180.960 0.10 . 1 . . . . A 636 ALA C . 34437 1 312 . 1 1 27 27 ALA CA C 13 56.310 0.10 . 1 . . . . A 636 ALA CA . 34437 1 313 . 1 1 27 27 ALA CB C 13 18.820 0.10 . 1 . . . . A 636 ALA CB . 34437 1 314 . 1 1 27 27 ALA N N 15 123.830 0.10 . 1 . . . . A 636 ALA N . 34437 1 315 . 1 1 28 28 GLY H H 1 9.052 0.01 . 1 . . . . A 637 GLY H . 34437 1 316 . 1 1 28 28 GLY HA2 H 1 3.856 0.01 . 2 . . . . A 637 GLY HA2 . 34437 1 317 . 1 1 28 28 GLY HA3 H 1 3.948 0.01 . 2 . . . . A 637 GLY HA3 . 34437 1 318 . 1 1 28 28 GLY C C 13 174.700 0.10 . 1 . . . . A 637 GLY C . 34437 1 319 . 1 1 28 28 GLY CA C 13 46.670 0.10 . 1 . . . . A 637 GLY CA . 34437 1 320 . 1 1 28 28 GLY N N 15 104.760 0.10 . 1 . . . . A 637 GLY N . 34437 1 321 . 1 1 29 29 GLN H H 1 7.562 0.01 . 1 . . . . A 638 GLN H . 34437 1 322 . 1 1 29 29 GLN HA H 1 4.736 0.01 . 1 . . . . A 638 GLN HA . 34437 1 323 . 1 1 29 29 GLN HB2 H 1 1.961 0.01 . 2 . . . . A 638 GLN HB2 . 34437 1 324 . 1 1 29 29 GLN HB3 H 1 1.961 0.01 . 2 . . . . A 638 GLN HB3 . 34437 1 325 . 1 1 29 29 GLN HG2 H 1 2.281 0.01 . 2 . . . . A 638 GLN HG2 . 34437 1 326 . 1 1 29 29 GLN HG3 H 1 2.376 0.01 . 2 . . . . A 638 GLN HG3 . 34437 1 327 . 1 1 29 29 GLN HE21 H 1 6.858 0.01 . 1 . . . . A 638 GLN HE21 . 34437 1 328 . 1 1 29 29 GLN HE22 H 1 7.553 0.01 . 1 . . . . A 638 GLN HE22 . 34437 1 329 . 1 1 29 29 GLN C C 13 176.300 0.10 . 1 . . . . A 638 GLN C . 34437 1 330 . 1 1 29 29 GLN CA C 13 54.970 0.10 . 1 . . . . A 638 GLN CA . 34437 1 331 . 1 1 29 29 GLN CB C 13 30.590 0.10 . 1 . . . . A 638 GLN CB . 34437 1 332 . 1 1 29 29 GLN CG C 13 32.610 0.10 . 1 . . . . A 638 GLN CG . 34437 1 333 . 1 1 29 29 GLN N N 15 117.060 0.10 . 1 . . . . A 638 GLN N . 34437 1 334 . 1 1 29 29 GLN NE2 N 15 112.090 0.10 . 1 . . . . A 638 GLN NE2 . 34437 1 335 . 1 1 30 30 LEU H H 1 7.207 0.01 . 1 . . . . A 639 LEU H . 34437 1 336 . 1 1 30 30 LEU HA H 1 3.801 0.01 . 1 . . . . A 639 LEU HA . 34437 1 337 . 1 1 30 30 LEU HB2 H 1 1.833 0.01 . 1 . . . . A 639 LEU HB2 . 34437 1 338 . 1 1 30 30 LEU HB3 H 1 1.472 0.01 . 1 . . . . A 639 LEU HB3 . 34437 1 339 . 1 1 30 30 LEU HG H 1 1.545 0.01 . 1 . . . . A 639 LEU HG . 34437 1 340 . 1 1 30 30 LEU HD11 H 1 0.691 0.01 . 2 . . . . A 639 LEU HD11 . 34437 1 341 . 1 1 30 30 LEU HD12 H 1 0.691 0.01 . 2 . . . . A 639 LEU HD12 . 34437 1 342 . 1 1 30 30 LEU HD13 H 1 0.691 0.01 . 2 . . . . A 639 LEU HD13 . 34437 1 343 . 1 1 30 30 LEU HD21 H 1 0.880 0.01 . 2 . . . . A 639 LEU HD21 . 34437 1 344 . 1 1 30 30 LEU HD22 H 1 0.880 0.01 . 2 . . . . A 639 LEU HD22 . 34437 1 345 . 1 1 30 30 LEU HD23 H 1 0.880 0.01 . 2 . . . . A 639 LEU HD23 . 34437 1 346 . 1 1 30 30 LEU C C 13 177.220 0.10 . 1 . . . . A 639 LEU C . 34437 1 347 . 1 1 30 30 LEU CA C 13 59.700 0.10 . 1 . . . . A 639 LEU CA . 34437 1 348 . 1 1 30 30 LEU CB C 13 43.690 0.10 . 1 . . . . A 639 LEU CB . 34437 1 349 . 1 1 30 30 LEU CD1 C 13 21.520 0.10 . 1 . . . . A 639 LEU CD1 . 34437 1 350 . 1 1 30 30 LEU CD2 C 13 23.980 0.10 . 1 . . . . A 639 LEU CD2 . 34437 1 351 . 1 1 30 30 LEU N N 15 121.700 0.10 . 1 . . . . A 639 LEU N . 34437 1 352 . 1 1 31 31 GLU H H 1 8.648 0.01 . 1 . . . . A 640 GLU H . 34437 1 353 . 1 1 31 31 GLU HA H 1 3.919 0.01 . 1 . . . . A 640 GLU HA . 34437 1 354 . 1 1 31 31 GLU HB2 H 1 1.996 0.01 . 2 . . . . A 640 GLU HB2 . 34437 1 355 . 1 1 31 31 GLU HB3 H 1 1.996 0.01 . 2 . . . . A 640 GLU HB3 . 34437 1 356 . 1 1 31 31 GLU HG2 H 1 2.286 0.01 . 2 . . . . A 640 GLU HG2 . 34437 1 357 . 1 1 31 31 GLU HG3 H 1 2.286 0.01 . 2 . . . . A 640 GLU HG3 . 34437 1 358 . 1 1 31 31 GLU C C 13 179.680 0.10 . 1 . . . . A 640 GLU C . 34437 1 359 . 1 1 31 31 GLU CA C 13 61.100 0.10 . 1 . . . . A 640 GLU CA . 34437 1 360 . 1 1 31 31 GLU CB C 13 29.390 0.10 . 1 . . . . A 640 GLU CB . 34437 1 361 . 1 1 31 31 GLU N N 15 117.020 0.10 . 1 . . . . A 640 GLU N . 34437 1 362 . 1 1 32 32 ALA H H 1 8.157 0.01 . 1 . . . . A 641 ALA H . 34437 1 363 . 1 1 32 32 ALA HA H 1 4.144 0.01 . 1 . . . . A 641 ALA HA . 34437 1 364 . 1 1 32 32 ALA HB1 H 1 1.411 0.01 . 1 . . . . A 641 ALA HB1 . 34437 1 365 . 1 1 32 32 ALA HB2 H 1 1.411 0.01 . 1 . . . . A 641 ALA HB2 . 34437 1 366 . 1 1 32 32 ALA HB3 H 1 1.411 0.01 . 1 . . . . A 641 ALA HB3 . 34437 1 367 . 1 1 32 32 ALA C C 13 180.240 0.10 . 1 . . . . A 641 ALA C . 34437 1 368 . 1 1 32 32 ALA CA C 13 54.900 0.10 . 1 . . . . A 641 ALA CA . 34437 1 369 . 1 1 32 32 ALA CB C 13 18.750 0.10 . 1 . . . . A 641 ALA CB . 34437 1 370 . 1 1 32 32 ALA N N 15 121.990 0.10 . 1 . . . . A 641 ALA N . 34437 1 371 . 1 1 33 33 TRP H H 1 8.689 0.01 . 1 . . . . A 642 TRP H . 34437 1 372 . 1 1 33 33 TRP HA H 1 3.920 0.01 . 1 . . . . A 642 TRP HA . 34437 1 373 . 1 1 33 33 TRP HB2 H 1 3.329 0.01 . 1 . . . . A 642 TRP HB2 . 34437 1 374 . 1 1 33 33 TRP HB3 H 1 3.223 0.01 . 1 . . . . A 642 TRP HB3 . 34437 1 375 . 1 1 33 33 TRP HD1 H 1 7.124 0.01 . 1 . . . . A 642 TRP HD1 . 34437 1 376 . 1 1 33 33 TRP HE1 H 1 9.892 0.01 . 1 . . . . A 642 TRP HE1 . 34437 1 377 . 1 1 33 33 TRP HE3 H 1 7.018 0.01 . 1 . . . . A 642 TRP HE3 . 34437 1 378 . 1 1 33 33 TRP HZ2 H 1 6.803 0.01 . 1 . . . . A 642 TRP HZ2 . 34437 1 379 . 1 1 33 33 TRP HZ3 H 1 7.006 0.01 . 1 . . . . A 642 TRP HZ3 . 34437 1 380 . 1 1 33 33 TRP HH2 H 1 6.392 0.01 . 1 . . . . A 642 TRP HH2 . 34437 1 381 . 1 1 33 33 TRP C C 13 180.830 0.10 . 1 . . . . A 642 TRP C . 34437 1 382 . 1 1 33 33 TRP CA C 13 63.360 0.10 . 1 . . . . A 642 TRP CA . 34437 1 383 . 1 1 33 33 TRP CB C 13 30.220 0.10 . 1 . . . . A 642 TRP CB . 34437 1 384 . 1 1 33 33 TRP N N 15 120.680 0.10 . 1 . . . . A 642 TRP N . 34437 1 385 . 1 1 34 34 LEU H H 1 9.117 0.01 . 1 . . . . A 643 LEU H . 34437 1 386 . 1 1 34 34 LEU HA H 1 3.981 0.01 . 1 . . . . A 643 LEU HA . 34437 1 387 . 1 1 34 34 LEU HB2 H 1 2.018 0.01 . 2 . . . . A 643 LEU HB2 . 34437 1 388 . 1 1 34 34 LEU HB3 H 1 1.581 0.01 . 2 . . . . A 643 LEU HB3 . 34437 1 389 . 1 1 34 34 LEU HG H 1 2.118 0.01 . 1 . . . . A 643 LEU HG . 34437 1 390 . 1 1 34 34 LEU HD11 H 1 0.930 0.01 . 2 . . . . A 643 LEU HD11 . 34437 1 391 . 1 1 34 34 LEU HD12 H 1 0.930 0.01 . 2 . . . . A 643 LEU HD12 . 34437 1 392 . 1 1 34 34 LEU HD13 H 1 0.930 0.01 . 2 . . . . A 643 LEU HD13 . 34437 1 393 . 1 1 34 34 LEU HD21 H 1 1.028 0.01 . 2 . . . . A 643 LEU HD21 . 34437 1 394 . 1 1 34 34 LEU HD22 H 1 1.028 0.01 . 2 . . . . A 643 LEU HD22 . 34437 1 395 . 1 1 34 34 LEU HD23 H 1 1.028 0.01 . 2 . . . . A 643 LEU HD23 . 34437 1 396 . 1 1 34 34 LEU C C 13 179.930 0.10 . 1 . . . . A 643 LEU C . 34437 1 397 . 1 1 34 34 LEU CA C 13 58.630 0.10 . 1 . . . . A 643 LEU CA . 34437 1 398 . 1 1 34 34 LEU CB C 13 41.940 0.10 . 1 . . . . A 643 LEU CB . 34437 1 399 . 1 1 34 34 LEU CD1 C 13 24.310 0.10 . 1 . . . . A 643 LEU CD1 . 34437 1 400 . 1 1 34 34 LEU CD2 C 13 20.780 0.10 . 1 . . . . A 643 LEU CD2 . 34437 1 401 . 1 1 34 34 LEU N N 15 120.180 0.10 . 1 . . . . A 643 LEU N . 34437 1 402 . 1 1 35 35 GLU H H 1 7.411 0.01 . 1 . . . . A 644 GLU H . 34437 1 403 . 1 1 35 35 GLU HA H 1 3.937 0.01 . 1 . . . . A 644 GLU HA . 34437 1 404 . 1 1 35 35 GLU HB2 H 1 2.102 0.01 . 2 . . . . A 644 GLU HB2 . 34437 1 405 . 1 1 35 35 GLU HB3 H 1 2.032 0.01 . 2 . . . . A 644 GLU HB3 . 34437 1 406 . 1 1 35 35 GLU HG2 H 1 2.199 0.01 . 2 . . . . A 644 GLU HG2 . 34437 1 407 . 1 1 35 35 GLU HG3 H 1 2.371 0.01 . 2 . . . . A 644 GLU HG3 . 34437 1 408 . 1 1 35 35 GLU C C 13 178.260 0.10 . 1 . . . . A 644 GLU C . 34437 1 409 . 1 1 35 35 GLU CA C 13 59.550 0.10 . 1 . . . . A 644 GLU CA . 34437 1 410 . 1 1 35 35 GLU CB C 13 30.110 0.10 . 1 . . . . A 644 GLU CB . 34437 1 411 . 1 1 35 35 GLU N N 15 117.690 0.10 . 1 . . . . A 644 GLU N . 34437 1 412 . 1 1 36 36 MET H H 1 7.139 0.01 . 1 . . . . A 645 MET H . 34437 1 413 . 1 1 36 36 MET HA H 1 4.275 0.01 . 1 . . . . A 645 MET HA . 34437 1 414 . 1 1 36 36 MET HB2 H 1 1.931 0.01 . 2 . . . . A 645 MET HB2 . 34437 1 415 . 1 1 36 36 MET HB3 H 1 1.772 0.01 . 2 . . . . A 645 MET HB3 . 34437 1 416 . 1 1 36 36 MET HG2 H 1 2.580 0.01 . 2 . . . . A 645 MET HG2 . 34437 1 417 . 1 1 36 36 MET HG3 H 1 2.478 0.01 . 2 . . . . A 645 MET HG3 . 34437 1 418 . 1 1 36 36 MET HE1 H 1 1.987 0.01 . 1 . . . . A 645 MET HE1 . 34437 1 419 . 1 1 36 36 MET HE2 H 1 1.987 0.01 . 1 . . . . A 645 MET HE2 . 34437 1 420 . 1 1 36 36 MET HE3 H 1 1.987 0.01 . 1 . . . . A 645 MET HE3 . 34437 1 421 . 1 1 36 36 MET C C 13 175.230 0.10 . 1 . . . . A 645 MET C . 34437 1 422 . 1 1 36 36 MET CA C 13 55.990 0.10 . 1 . . . . A 645 MET CA . 34437 1 423 . 1 1 36 36 MET CB C 13 34.150 0.10 . 1 . . . . A 645 MET CB . 34437 1 424 . 1 1 36 36 MET CE C 13 15.470 0.10 . 1 . . . . A 645 MET CE . 34437 1 425 . 1 1 36 36 MET N N 15 114.360 0.10 . 1 . . . . A 645 MET N . 34437 1 426 . 1 1 37 37 ASN H H 1 7.162 0.01 . 1 . . . . A 646 ASN H . 34437 1 427 . 1 1 37 37 ASN HA H 1 4.795 0.01 . 1 . . . . A 646 ASN HA . 34437 1 428 . 1 1 37 37 ASN HB2 H 1 1.203 0.01 . 1 . . . . A 646 ASN HB2 . 34437 1 429 . 1 1 37 37 ASN HB3 H 1 1.475 0.01 . 1 . . . . A 646 ASN HB3 . 34437 1 430 . 1 1 37 37 ASN HD21 H 1 5.982 0.01 . 1 . . . . A 646 ASN HD21 . 34437 1 431 . 1 1 37 37 ASN HD22 H 1 6.086 0.01 . 1 . . . . A 646 ASN HD22 . 34437 1 432 . 1 1 37 37 ASN C C 13 170.120 0.10 . 1 . . . . A 646 ASN C . 34437 1 433 . 1 1 37 37 ASN CA C 13 51.580 0.10 . 1 . . . . A 646 ASN CA . 34437 1 434 . 1 1 37 37 ASN CB C 13 39.950 0.10 . 1 . . . . A 646 ASN CB . 34437 1 435 . 1 1 37 37 ASN N N 15 119.050 0.10 . 1 . . . . A 646 ASN N . 34437 1 436 . 1 1 37 37 ASN ND2 N 15 114.970 0.10 . 1 . . . . A 646 ASN ND2 . 34437 1 437 . 1 1 38 38 PRO HA H 1 4.588 0.01 . 1 . . . . A 647 PRO HA . 34437 1 438 . 1 1 38 38 PRO HB2 H 1 2.302 0.01 . 2 . . . . A 647 PRO HB2 . 34437 1 439 . 1 1 38 38 PRO HB3 H 1 2.302 0.01 . 2 . . . . A 647 PRO HB3 . 34437 1 440 . 1 1 38 38 PRO HG2 H 1 1.924 0.01 . 2 . . . . A 647 PRO HG2 . 34437 1 441 . 1 1 38 38 PRO HG3 H 1 1.924 0.01 . 2 . . . . A 647 PRO HG3 . 34437 1 442 . 1 1 38 38 PRO HD2 H 1 3.567 0.01 . 2 . . . . A 647 PRO HD2 . 34437 1 443 . 1 1 38 38 PRO HD3 H 1 3.263 0.01 . 2 . . . . A 647 PRO HD3 . 34437 1 444 . 1 1 38 38 PRO C C 13 178.080 0.10 . 1 . . . . A 647 PRO C . 34437 1 445 . 1 1 38 38 PRO CA C 13 64.070 0.10 . 1 . . . . A 647 PRO CA . 34437 1 446 . 1 1 38 38 PRO CB C 13 32.500 0.10 . 1 . . . . A 647 PRO CB . 34437 1 447 . 1 1 39 39 GLY H H 1 8.785 0.01 . 1 . . . . A 648 GLY H . 34437 1 448 . 1 1 39 39 GLY HA2 H 1 3.972 0.01 . 2 . . . . A 648 GLY HA2 . 34437 1 449 . 1 1 39 39 GLY HA3 H 1 3.637 0.01 . 2 . . . . A 648 GLY HA3 . 34437 1 450 . 1 1 39 39 GLY C C 13 173.980 0.10 . 1 . . . . A 648 GLY C . 34437 1 451 . 1 1 39 39 GLY CA C 13 45.490 0.10 . 1 . . . . A 648 GLY CA . 34437 1 452 . 1 1 39 39 GLY N N 15 108.790 0.10 . 1 . . . . A 648 GLY N . 34437 1 453 . 1 1 40 40 TYR H H 1 8.004 0.01 . 1 . . . . A 649 TYR H . 34437 1 454 . 1 1 40 40 TYR HA H 1 5.640 0.01 . 1 . . . . A 649 TYR HA . 34437 1 455 . 1 1 40 40 TYR HB2 H 1 2.816 0.01 . 1 . . . . A 649 TYR HB2 . 34437 1 456 . 1 1 40 40 TYR HB3 H 1 3.200 0.01 . 1 . . . . A 649 TYR HB3 . 34437 1 457 . 1 1 40 40 TYR HD1 H 1 7.006 0.01 . 3 . . . . A 649 TYR HD1 . 34437 1 458 . 1 1 40 40 TYR HD2 H 1 7.006 0.01 . 3 . . . . A 649 TYR HD2 . 34437 1 459 . 1 1 40 40 TYR HE1 H 1 6.770 0.01 . 3 . . . . A 649 TYR HE1 . 34437 1 460 . 1 1 40 40 TYR HE2 H 1 6.770 0.01 . 3 . . . . A 649 TYR HE2 . 34437 1 461 . 1 1 40 40 TYR C C 13 175.800 0.10 . 1 . . . . A 649 TYR C . 34437 1 462 . 1 1 40 40 TYR CA C 13 57.830 0.10 . 1 . . . . A 649 TYR CA . 34437 1 463 . 1 1 40 40 TYR CB C 13 43.130 0.10 . 1 . . . . A 649 TYR CB . 34437 1 464 . 1 1 40 40 TYR N N 15 118.520 0.10 . 1 . . . . A 649 TYR N . 34437 1 465 . 1 1 41 41 GLU H H 1 8.999 0.01 . 1 . . . . A 650 GLU H . 34437 1 466 . 1 1 41 41 GLU HA H 1 4.733 0.01 . 1 . . . . A 650 GLU HA . 34437 1 467 . 1 1 41 41 GLU HB2 H 1 1.733 0.01 . 2 . . . . A 650 GLU HB2 . 34437 1 468 . 1 1 41 41 GLU HB3 H 1 2.008 0.01 . 2 . . . . A 650 GLU HB3 . 34437 1 469 . 1 1 41 41 GLU HG2 H 1 2.105 0.01 . 2 . . . . A 650 GLU HG2 . 34437 1 470 . 1 1 41 41 GLU HG3 H 1 2.202 0.01 . 2 . . . . A 650 GLU HG3 . 34437 1 471 . 1 1 41 41 GLU C C 13 175.630 0.10 . 1 . . . . A 650 GLU C . 34437 1 472 . 1 1 41 41 GLU CA C 13 54.390 0.10 . 1 . . . . A 650 GLU CA . 34437 1 473 . 1 1 41 41 GLU CB C 13 34.570 0.10 . 1 . . . . A 650 GLU CB . 34437 1 474 . 1 1 41 41 GLU N N 15 117.900 0.10 . 1 . . . . A 650 GLU N . 34437 1 475 . 1 1 42 42 VAL H H 1 8.823 0.01 . 1 . . . . A 651 VAL H . 34437 1 476 . 1 1 42 42 VAL HA H 1 4.014 0.01 . 1 . . . . A 651 VAL HA . 34437 1 477 . 1 1 42 42 VAL HB H 1 1.960 0.01 . 1 . . . . A 651 VAL HB . 34437 1 478 . 1 1 42 42 VAL HG11 H 1 0.979 0.01 . 2 . . . . A 651 VAL HG11 . 34437 1 479 . 1 1 42 42 VAL HG12 H 1 0.979 0.01 . 2 . . . . A 651 VAL HG12 . 34437 1 480 . 1 1 42 42 VAL HG13 H 1 0.979 0.01 . 2 . . . . A 651 VAL HG13 . 34437 1 481 . 1 1 42 42 VAL HG21 H 1 1.032 0.01 . 2 . . . . A 651 VAL HG21 . 34437 1 482 . 1 1 42 42 VAL HG22 H 1 1.032 0.01 . 2 . . . . A 651 VAL HG22 . 34437 1 483 . 1 1 42 42 VAL HG23 H 1 1.032 0.01 . 2 . . . . A 651 VAL HG23 . 34437 1 484 . 1 1 42 42 VAL C C 13 176.310 0.10 . 1 . . . . A 651 VAL C . 34437 1 485 . 1 1 42 42 VAL CA C 13 64.960 0.10 . 1 . . . . A 651 VAL CA . 34437 1 486 . 1 1 42 42 VAL CB C 13 32.570 0.10 . 1 . . . . A 651 VAL CB . 34437 1 487 . 1 1 42 42 VAL CG1 C 13 19.900 0.10 . 1 . . . . A 651 VAL CG1 . 34437 1 488 . 1 1 42 42 VAL CG2 C 13 21.220 0.10 . 1 . . . . A 651 VAL CG2 . 34437 1 489 . 1 1 42 42 VAL N N 15 121.230 0.10 . 1 . . . . A 651 VAL N . 34437 1 490 . 1 1 43 43 ALA H H 1 8.290 0.01 . 1 . . . . A 652 ALA H . 34437 1 491 . 1 1 43 43 ALA HA H 1 4.383 0.01 . 1 . . . . A 652 ALA HA . 34437 1 492 . 1 1 43 43 ALA HB1 H 1 1.164 0.01 . 1 . . . . A 652 ALA HB1 . 34437 1 493 . 1 1 43 43 ALA HB2 H 1 1.164 0.01 . 1 . . . . A 652 ALA HB2 . 34437 1 494 . 1 1 43 43 ALA HB3 H 1 1.164 0.01 . 1 . . . . A 652 ALA HB3 . 34437 1 495 . 1 1 43 43 ALA C C 13 175.160 0.10 . 1 . . . . A 652 ALA C . 34437 1 496 . 1 1 43 43 ALA CA C 13 51.000 0.10 . 1 . . . . A 652 ALA CA . 34437 1 497 . 1 1 43 43 ALA CB C 13 18.280 0.10 . 1 . . . . A 652 ALA CB . 34437 1 498 . 1 1 43 43 ALA N N 15 130.580 0.10 . 1 . . . . A 652 ALA N . 34437 1 499 . 1 1 44 44 PRO HA H 1 4.378 0.01 . 1 . . . . A 653 PRO HA . 34437 1 500 . 1 1 44 44 PRO HB2 H 1 1.829 0.01 . 2 . . . . A 653 PRO HB2 . 34437 1 501 . 1 1 44 44 PRO HB3 H 1 2.260 0.01 . 2 . . . . A 653 PRO HB3 . 34437 1 502 . 1 1 44 44 PRO HG2 H 1 1.978 0.01 . 2 . . . . A 653 PRO HG2 . 34437 1 503 . 1 1 44 44 PRO HG3 H 1 1.978 0.01 . 2 . . . . A 653 PRO HG3 . 34437 1 504 . 1 1 44 44 PRO HD2 H 1 3.783 0.01 . 2 . . . . A 653 PRO HD2 . 34437 1 505 . 1 1 44 44 PRO HD3 H 1 3.506 0.01 . 2 . . . . A 653 PRO HD3 . 34437 1 506 . 1 1 44 44 PRO C C 13 176.940 0.10 . 1 . . . . A 653 PRO C . 34437 1 507 . 1 1 44 44 PRO CA C 13 63.510 0.10 . 1 . . . . A 653 PRO CA . 34437 1 508 . 1 1 44 44 PRO CB C 13 32.580 0.10 . 1 . . . . A 653 PRO CB . 34437 1 509 . 1 1 45 45 ARG H H 1 8.488 0.01 . 1 . . . . A 654 ARG H . 34437 1 510 . 1 1 45 45 ARG HA H 1 4.273 0.01 . 1 . . . . A 654 ARG HA . 34437 1 511 . 1 1 45 45 ARG HB2 H 1 1.814 0.01 . 2 . . . . A 654 ARG HB2 . 34437 1 512 . 1 1 45 45 ARG HB3 H 1 1.734 0.01 . 2 . . . . A 654 ARG HB3 . 34437 1 513 . 1 1 45 45 ARG HG2 H 1 1.648 0.01 . 2 . . . . A 654 ARG HG2 . 34437 1 514 . 1 1 45 45 ARG HG3 H 1 1.613 0.01 . 2 . . . . A 654 ARG HG3 . 34437 1 515 . 1 1 45 45 ARG HD2 H 1 3.165 0.01 . 2 . . . . A 654 ARG HD2 . 34437 1 516 . 1 1 45 45 ARG HD3 H 1 3.165 0.01 . 2 . . . . A 654 ARG HD3 . 34437 1 517 . 1 1 45 45 ARG HE H 1 7.327 0.01 . 1 . . . . A 654 ARG HE . 34437 1 518 . 1 1 45 45 ARG C C 13 176.740 0.10 . 1 . . . . A 654 ARG C . 34437 1 519 . 1 1 45 45 ARG CA C 13 56.640 0.10 . 1 . . . . A 654 ARG CA . 34437 1 520 . 1 1 45 45 ARG CB C 13 31.440 0.10 . 1 . . . . A 654 ARG CB . 34437 1 521 . 1 1 45 45 ARG CG C 13 25.790 0.10 . 1 . . . . A 654 ARG CG . 34437 1 522 . 1 1 45 45 ARG CD C 13 41.800 0.10 . 1 . . . . A 654 ARG CD . 34437 1 523 . 1 1 45 45 ARG N N 15 122.090 0.10 . 1 . . . . A 654 ARG N . 34437 1 524 . 1 1 45 45 ARG NE N 15 84.340 0.10 . 1 . . . . A 654 ARG NE . 34437 1 525 . 1 1 46 46 SER H H 1 8.508 0.01 . 1 . . . . A 655 SER H . 34437 1 526 . 1 1 46 46 SER HA H 1 4.466 0.01 . 1 . . . . A 655 SER HA . 34437 1 527 . 1 1 46 46 SER HB2 H 1 3.776 0.01 . 2 . . . . A 655 SER HB2 . 34437 1 528 . 1 1 46 46 SER HB3 H 1 3.863 0.01 . 2 . . . . A 655 SER HB3 . 34437 1 529 . 1 1 46 46 SER C C 13 174.540 0.10 . 1 . . . . A 655 SER C . 34437 1 530 . 1 1 46 46 SER CA C 13 58.380 0.10 . 1 . . . . A 655 SER CA . 34437 1 531 . 1 1 46 46 SER CB C 13 64.560 0.10 . 1 . . . . A 655 SER CB . 34437 1 532 . 1 1 46 46 SER N N 15 117.750 0.10 . 1 . . . . A 655 SER N . 34437 1 533 . 1 1 47 47 ASP H H 1 8.451 0.01 . 1 . . . . A 656 ASP H . 34437 1 534 . 1 1 47 47 ASP HA H 1 4.597 0.01 . 1 . . . . A 656 ASP HA . 34437 1 535 . 1 1 47 47 ASP HB2 H 1 2.624 0.01 . 2 . . . . A 656 ASP HB2 . 34437 1 536 . 1 1 47 47 ASP HB3 H 1 2.669 0.01 . 2 . . . . A 656 ASP HB3 . 34437 1 537 . 1 1 47 47 ASP C C 13 176.350 0.10 . 1 . . . . A 656 ASP C . 34437 1 538 . 1 1 47 47 ASP CA C 13 54.990 0.10 . 1 . . . . A 656 ASP CA . 34437 1 539 . 1 1 47 47 ASP CB C 13 41.570 0.10 . 1 . . . . A 656 ASP CB . 34437 1 540 . 1 1 47 47 ASP N N 15 122.150 0.10 . 1 . . . . A 656 ASP N . 34437 1 541 . 1 1 48 48 SER H H 1 8.123 0.01 . 1 . . . . A 657 SER H . 34437 1 542 . 1 1 48 48 SER HA H 1 4.427 0.01 . 1 . . . . A 657 SER HA . 34437 1 543 . 1 1 48 48 SER HB2 H 1 3.780 0.01 . 2 . . . . A 657 SER HB2 . 34437 1 544 . 1 1 48 48 SER HB3 H 1 3.826 0.01 . 2 . . . . A 657 SER HB3 . 34437 1 545 . 1 1 48 48 SER C C 13 173.790 0.10 . 1 . . . . A 657 SER C . 34437 1 546 . 1 1 48 48 SER CA C 13 58.780 0.10 . 1 . . . . A 657 SER CA . 34437 1 547 . 1 1 48 48 SER CB C 13 64.660 0.10 . 1 . . . . A 657 SER CB . 34437 1 548 . 1 1 48 48 SER N N 15 114.890 0.10 . 1 . . . . A 657 SER N . 34437 1 549 . 1 1 49 49 GLU H H 1 7.887 0.01 . 1 . . . . A 658 GLU H . 34437 1 550 . 1 1 49 49 GLU HA H 1 4.080 0.01 . 1 . . . . A 658 GLU HA . 34437 1 551 . 1 1 49 49 GLU HB2 H 1 1.847 0.01 . 2 . . . . A 658 GLU HB2 . 34437 1 552 . 1 1 49 49 GLU HB3 H 1 1.992 0.01 . 2 . . . . A 658 GLU HB3 . 34437 1 553 . 1 1 49 49 GLU HG2 H 1 2.153 0.01 . 2 . . . . A 658 GLU HG2 . 34437 1 554 . 1 1 49 49 GLU HG3 H 1 2.153 0.01 . 2 . . . . A 658 GLU HG3 . 34437 1 555 . 1 1 49 49 GLU C C 13 181.320 0.10 . 1 . . . . A 658 GLU C . 34437 1 556 . 1 1 49 49 GLU CA C 13 58.510 0.10 . 1 . . . . A 658 GLU CA . 34437 1 557 . 1 1 49 49 GLU CB C 13 31.590 0.10 . 1 . . . . A 658 GLU CB . 34437 1 558 . 1 1 49 49 GLU N N 15 127.410 0.10 . 1 . . . . A 658 GLU N . 34437 1 stop_ save_