data_25213 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25213 _Entry.Title ; HIGH-RESOLUTION NMR STRUCTURES OF THE DOMAINS OF SACCHAROMYCES CEREVISIAE THO1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-10 _Entry.Accession_date 2014-09-10 _Entry.Last_release_date 2014-12-15 _Entry.Original_release_date 2014-12-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 J. Jacobsen . O.B. . 25213 2 Mark Allen . D. . 25213 3 S. Freund . M.V. . 25213 4 M. Bycroft . . . 25213 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25213 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . AllenGroup . 25213 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SAP . 25213 'RNA BINDING PROTEIN' . 25213 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25213 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 366 25213 '13C chemical shifts' 175 25213 '15N chemical shifts' 48 25213 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 . . 2014-12-15 2014-09-10 original author . 25213 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4uzw 'PDBe entry' 25213 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25213 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'HIGH-RESOLUTION NMR STRUCTURES OF THE DOMAINS OF SACCHAROMYCES CEREVISIAE THO1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Jacobsen . O.B. . 25213 1 2 Mark Allen . D. . 25213 1 3 S. Freund . M.V. . 25213 1 4 M. Bycroft . . . 25213 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25213 _Assembly.ID 1 _Assembly.Name 'High-resolution NMR structures of the domains of Saccheromyces cerevisiae Tho1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 5516.143 _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 'PROTEIN THO1' 1 $PROTEIN_THO1 A . yes native no no . . . 25213 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PROTEIN_THO1 _Entity.Sf_category entity _Entity.Sf_framecode PROTEIN_THO1 _Entity.Entry_ID 25213 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PROTEIN_THO1 _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 ; SADYSSLTVVQLKDLLTKRN LSVGGLKNELVQRLIKDDEE SKGESEVSPQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 50 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5516.143 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP THO1_YEAST . P40040 . . . "Met changed to Ser for cloning purposes at the N-terminus" . . . . . . . . . . 25213 1 2 no PDB 1H1J . "The Sap Domain Is A Dna-Binding Domain Capable Of Binding SMAR DNA" . . . . . 100.00 51 100.00 100.00 1.32e-24 . . . . 25213 1 3 no PDB 2WQG . "Sap Domain From Tho1: L31w (Fluorophore) Mutant" . . . . . 100.00 51 98.00 98.00 4.28e-24 . . . . 25213 1 4 no PDB 4UZW . "High-resolution Nmr Structures Of The Domains Of Saccharomyces Cerevisiae Tho1" . . . . . 100.00 50 100.00 100.00 1.27e-24 . . . . 25213 1 5 no EMBL CAY79235 . "Tho1p [Saccharomyces cerevisiae EC1118]" . . . . . 98.00 218 97.96 97.96 1.20e-22 . . . . 25213 1 6 no GB AAB64599 . "Yer063wp [Saccharomyces cerevisiae]" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 7 no GB AAS56105 . "YER063W [Saccharomyces cerevisiae]" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 8 no GB AHY75622 . "Tho1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 9 no GB AJU40024 . "Tho1p [Saccharomyces cerevisiae YJM693]" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 10 no GB AJU40279 . "Tho1p [Saccharomyces cerevisiae YJM969]" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 11 no REF NP_010985 . "Tho1p [Saccharomyces cerevisiae S288c]" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 12 no SP P40040 . "RecName: Full=Protein THO1" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 13 no TPG DAA07722 . "TPA: Tho1p [Saccharomyces cerevisiae S288c]" . . . . . 98.00 218 100.00 100.00 2.16e-23 . . . . 25213 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 25213 1 2 . ALA . 25213 1 3 . ASP . 25213 1 4 . TYR . 25213 1 5 . SER . 25213 1 6 . SER . 25213 1 7 . LEU . 25213 1 8 . THR . 25213 1 9 . VAL . 25213 1 10 . VAL . 25213 1 11 . GLN . 25213 1 12 . LEU . 25213 1 13 . LYS . 25213 1 14 . ASP . 25213 1 15 . LEU . 25213 1 16 . LEU . 25213 1 17 . THR . 25213 1 18 . LYS . 25213 1 19 . ARG . 25213 1 20 . ASN . 25213 1 21 . LEU . 25213 1 22 . SER . 25213 1 23 . VAL . 25213 1 24 . GLY . 25213 1 25 . GLY . 25213 1 26 . LEU . 25213 1 27 . LYS . 25213 1 28 . ASN . 25213 1 29 . GLU . 25213 1 30 . LEU . 25213 1 31 . VAL . 25213 1 32 . GLN . 25213 1 33 . ARG . 25213 1 34 . LEU . 25213 1 35 . ILE . 25213 1 36 . LYS . 25213 1 37 . ASP . 25213 1 38 . ASP . 25213 1 39 . GLU . 25213 1 40 . GLU . 25213 1 41 . SER . 25213 1 42 . LYS . 25213 1 43 . GLY . 25213 1 44 . GLU . 25213 1 45 . SER . 25213 1 46 . GLU . 25213 1 47 . VAL . 25213 1 48 . SER . 25213 1 49 . PRO . 25213 1 50 . GLN . 25213 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 25213 1 . ALA 2 2 25213 1 . ASP 3 3 25213 1 . TYR 4 4 25213 1 . SER 5 5 25213 1 . SER 6 6 25213 1 . LEU 7 7 25213 1 . THR 8 8 25213 1 . VAL 9 9 25213 1 . VAL 10 10 25213 1 . GLN 11 11 25213 1 . LEU 12 12 25213 1 . LYS 13 13 25213 1 . ASP 14 14 25213 1 . LEU 15 15 25213 1 . LEU 16 16 25213 1 . THR 17 17 25213 1 . LYS 18 18 25213 1 . ARG 19 19 25213 1 . ASN 20 20 25213 1 . LEU 21 21 25213 1 . SER 22 22 25213 1 . VAL 23 23 25213 1 . GLY 24 24 25213 1 . GLY 25 25 25213 1 . LEU 26 26 25213 1 . LYS 27 27 25213 1 . ASN 28 28 25213 1 . GLU 29 29 25213 1 . LEU 30 30 25213 1 . VAL 31 31 25213 1 . GLN 32 32 25213 1 . ARG 33 33 25213 1 . LEU 34 34 25213 1 . ILE 35 35 25213 1 . LYS 36 36 25213 1 . ASP 37 37 25213 1 . ASP 38 38 25213 1 . GLU 39 39 25213 1 . GLU 40 40 25213 1 . SER 41 41 25213 1 . LYS 42 42 25213 1 . GLY 43 43 25213 1 . GLU 44 44 25213 1 . SER 45 45 25213 1 . GLU 46 46 25213 1 . VAL 47 47 25213 1 . SER 48 48 25213 1 . PRO 49 49 25213 1 . GLN 50 50 25213 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 25213 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PROTEIN_THO1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 25213 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 25213 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PROTEIN_THO1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . 'modified pRSETa' . . na . . . . . . 25213 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25213 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% water/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 'PROTEIN THO1' '[U-13C; U-15N]' . . 1 $PROTEIN_THO1 . . 1.5 . . mM . . . . 25213 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25213 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 25213 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 25213 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.5], temp [293], pressure [1], ionStrength [120.0]' 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' 120.000 . mM 25213 1 pH 6.500 . pH 25213 1 pressure 1.000 . atm 25213 1 temperature 293.000 . K 25213 1 stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Software.Sf_category software _Software.Sf_framecode Ansig _Software.Entry_ID 25213 _Software.ID 1 _Software.Name Ansig _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 25213 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25213 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 25213 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 25213 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25213 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25213 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details 'Refinement details can be found in the JRNL citation above.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25213 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25213 3 refinement 25213 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25213 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25213 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25213 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25213 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25213 1 2 spectrometer_2 Bruker Avance . 600 . . . 25213 1 3 spectrometer_3 Bruker Avance . 800 . . . 25213 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 25213 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 2 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 5 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 6 HN(CA)CO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 7 HNHB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 8 1H-NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 9 1H-DQF-COSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 10 1H-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25213 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25213 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 25213 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449519 . . . . . . . . . 25213 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25213 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4uzw/ebi/sap.dep.data.csh' _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 '1H-15N HSQC' 1 $sample_1 solution 25213 1 2 '1H-13C HSQC' 1 $sample_1 solution 25213 1 3 HNCACB 1 $sample_1 solution 25213 1 4 CBCA(CO)NH 1 $sample_1 solution 25213 1 5 HNCO 1 $sample_1 solution 25213 1 6 HN(CA)CO 1 $sample_1 solution 25213 1 7 HNHB 1 $sample_1 solution 25213 1 8 1H-NOESY 1 $sample_1 solution 25213 1 9 1H-DQF-COSY 1 $sample_1 solution 25213 1 10 1H-TOCSY 1 $sample_1 solution 25213 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CNS . . 25213 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.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 HA H 1 4.330 0.01 . 1 . 2 . . 1 SER HA . 25213 1 2 . 1 1 1 1 SER HB2 H 1 3.785 0.01 . 1 . 5 . . 1 SER HB2 . 25213 1 3 . 1 1 1 1 SER HB3 H 1 3.785 0.01 . 1 . 6 . . 1 SER HB3 . 25213 1 4 . 1 1 1 1 SER C C 13 174.650 0.10 . 1 . 3 . . 1 SER C . 25213 1 5 . 1 1 1 1 SER CA C 13 59.400 0.10 . 1 . 1 . . 1 SER CA . 25213 1 6 . 1 1 1 1 SER CB C 13 64.360 0.10 . 1 . 4 . . 1 SER CB . 25213 1 7 . 1 1 2 2 ALA H H 1 8.281 0.01 . 1 . 8 . . 2 ALA H . 25213 1 8 . 1 1 2 2 ALA HA H 1 4.065 0.01 . 1 . 10 . . 2 ALA HA . 25213 1 9 . 1 1 2 2 ALA HB1 H 1 0.985 0.01 . 1 . 13 . . 2 ALA HB1 . 25213 1 10 . 1 1 2 2 ALA HB2 H 1 0.985 0.01 . 1 . 13 . . 2 ALA HB2 . 25213 1 11 . 1 1 2 2 ALA HB3 H 1 0.985 0.01 . 1 . 13 . . 2 ALA HB3 . 25213 1 12 . 1 1 2 2 ALA C C 13 177.520 0.10 . 1 . 11 . . 2 ALA C . 25213 1 13 . 1 1 2 2 ALA CA C 13 52.790 0.10 . 1 . 9 . . 2 ALA CA . 25213 1 14 . 1 1 2 2 ALA CB C 13 19.630 0.10 . 1 . 12 . . 2 ALA CB . 25213 1 15 . 1 1 2 2 ALA N N 15 125.050 0.10 . 1 . 7 . . 2 ALA N . 25213 1 16 . 1 1 3 3 ASP H H 1 8.035 0.01 . 1 . 15 . . 3 ASP H . 25213 1 17 . 1 1 3 3 ASP HA H 1 4.534 0.01 . 1 . 17 . . 3 ASP HA . 25213 1 18 . 1 1 3 3 ASP HB2 H 1 2.414 0.01 . 2 . 20 . . 3 ASP HB2 . 25213 1 19 . 1 1 3 3 ASP HB3 H 1 2.579 0.01 . 2 . 21 . . 3 ASP HB3 . 25213 1 20 . 1 1 3 3 ASP C C 13 177.750 0.10 . 1 . 18 . . 3 ASP C . 25213 1 21 . 1 1 3 3 ASP CA C 13 53.710 0.10 . 1 . 16 . . 3 ASP CA . 25213 1 22 . 1 1 3 3 ASP CB C 13 40.730 0.10 . 1 . 19 . . 3 ASP CB . 25213 1 23 . 1 1 3 3 ASP N N 15 118.870 0.10 . 1 . 14 . . 3 ASP N . 25213 1 24 . 1 1 4 4 TYR H H 1 8.035 0.01 . 1 . 23 . . 4 TYR H . 25213 1 25 . 1 1 4 4 TYR HA H 1 4.360 0.01 . 1 . 25 . . 4 TYR HA . 25213 1 26 . 1 1 4 4 TYR HB2 H 1 3.194 0.01 . 1 . 28 . . 4 TYR HB2 . 25213 1 27 . 1 1 4 4 TYR HB3 H 1 2.711 0.01 . 1 . 29 . . 4 TYR HB3 . 25213 1 28 . 1 1 4 4 TYR HD1 H 1 6.882 0.01 . 1 . 30 . . 4 TYR HD1 . 25213 1 29 . 1 1 4 4 TYR HD2 H 1 6.882 0.01 . 1 . 31 . . 4 TYR HD2 . 25213 1 30 . 1 1 4 4 TYR HE1 H 1 6.641 0.01 . 1 . 32 . . 4 TYR HE1 . 25213 1 31 . 1 1 4 4 TYR HE2 H 1 6.641 0.01 . 1 . 33 . . 4 TYR HE2 . 25213 1 32 . 1 1 4 4 TYR C C 13 177.890 0.10 . 1 . 26 . . 4 TYR C . 25213 1 33 . 1 1 4 4 TYR CA C 13 59.610 0.10 . 1 . 24 . . 4 TYR CA . 25213 1 34 . 1 1 4 4 TYR CB C 13 39.400 0.10 . 1 . 27 . . 4 TYR CB . 25213 1 35 . 1 1 4 4 TYR N N 15 121.880 0.10 . 1 . 22 . . 4 TYR N . 25213 1 36 . 1 1 5 5 SER H H 1 8.291 0.01 . 1 . 35 . . 5 SER H . 25213 1 37 . 1 1 5 5 SER HA H 1 4.023 0.01 . 1 . 37 . . 5 SER HA . 25213 1 38 . 1 1 5 5 SER HB2 H 1 3.984 0.01 . 1 . 40 . . 5 SER HB2 . 25213 1 39 . 1 1 5 5 SER HB3 H 1 3.984 0.01 . 1 . 41 . . 5 SER HB3 . 25213 1 40 . 1 1 5 5 SER C C 13 175.700 0.10 . 1 . 38 . . 5 SER C . 25213 1 41 . 1 1 5 5 SER CA C 13 62.030 0.10 . 1 . 36 . . 5 SER CA . 25213 1 42 . 1 1 5 5 SER CB C 13 63.550 0.10 . 1 . 39 . . 5 SER CB . 25213 1 43 . 1 1 5 5 SER N N 15 111.630 0.10 . 1 . 34 . . 5 SER N . 25213 1 44 . 1 1 6 6 SER H H 1 7.864 0.01 . 1 . 43 . . 6 SER H . 25213 1 45 . 1 1 6 6 SER HA H 1 4.468 0.01 . 1 . 45 . . 6 SER HA . 25213 1 46 . 1 1 6 6 SER HB2 H 1 3.857 0.01 . 2 . 48 . . 6 SER HB2 . 25213 1 47 . 1 1 6 6 SER HB3 H 1 3.913 0.01 . 2 . 49 . . 6 SER HB3 . 25213 1 48 . 1 1 6 6 SER C C 13 174.830 0.10 . 1 . 46 . . 6 SER C . 25213 1 49 . 1 1 6 6 SER CA C 13 59.340 0.10 . 1 . 44 . . 6 SER CA . 25213 1 50 . 1 1 6 6 SER CB C 13 64.340 0.10 . 1 . 47 . . 6 SER CB . 25213 1 51 . 1 1 6 6 SER N N 15 115.660 0.10 . 1 . 42 . . 6 SER N . 25213 1 52 . 1 1 7 7 LEU H H 1 7.290 0.01 . 1 . 51 . . 7 LEU H . 25213 1 53 . 1 1 7 7 LEU HA H 1 4.502 0.01 . 1 . 53 . . 7 LEU HA . 25213 1 54 . 1 1 7 7 LEU HB2 H 1 1.579 0.01 . 1 . 56 . . 7 LEU HB2 . 25213 1 55 . 1 1 7 7 LEU HB3 H 1 1.890 0.01 . 1 . 57 . . 7 LEU HB3 . 25213 1 56 . 1 1 7 7 LEU HG H 1 1.784 0.01 . 1 . 58 . . 7 LEU HG . 25213 1 57 . 1 1 7 7 LEU HD11 H 1 0.965 0.01 . 2 . 60 . . 7 LEU HD11 . 25213 1 58 . 1 1 7 7 LEU HD12 H 1 0.965 0.01 . 2 . 60 . . 7 LEU HD12 . 25213 1 59 . 1 1 7 7 LEU HD13 H 1 0.965 0.01 . 2 . 60 . . 7 LEU HD13 . 25213 1 60 . 1 1 7 7 LEU HD21 H 1 0.756 0.01 . 2 . 62 . . 7 LEU HD21 . 25213 1 61 . 1 1 7 7 LEU HD22 H 1 0.756 0.01 . 2 . 62 . . 7 LEU HD22 . 25213 1 62 . 1 1 7 7 LEU HD23 H 1 0.756 0.01 . 2 . 62 . . 7 LEU HD23 . 25213 1 63 . 1 1 7 7 LEU C C 13 177.800 0.10 . 1 . 54 . . 7 LEU C . 25213 1 64 . 1 1 7 7 LEU CA C 13 55.050 0.10 . 1 . 52 . . 7 LEU CA . 25213 1 65 . 1 1 7 7 LEU CB C 13 42.700 0.10 . 1 . 55 . . 7 LEU CB . 25213 1 66 . 1 1 7 7 LEU CD1 C 13 24.480 0.10 . 1 . 59 . . 7 LEU CD1 . 25213 1 67 . 1 1 7 7 LEU CD2 C 13 20.230 0.10 . 1 . 61 . . 7 LEU CD2 . 25213 1 68 . 1 1 7 7 LEU N N 15 122.630 0.10 . 1 . 50 . . 7 LEU N . 25213 1 69 . 1 1 8 8 THR H H 1 8.670 0.01 . 1 . 64 . . 8 THR H . 25213 1 70 . 1 1 8 8 THR HA H 1 4.423 0.01 . 1 . 66 . . 8 THR HA . 25213 1 71 . 1 1 8 8 THR HB H 1 4.714 0.01 . 1 . 69 . . 8 THR HB . 25213 1 72 . 1 1 8 8 THR HG21 H 1 1.304 0.01 . 1 . 71 . . 8 THR HG21 . 25213 1 73 . 1 1 8 8 THR HG22 H 1 1.304 0.01 . 1 . 71 . . 8 THR HG22 . 25213 1 74 . 1 1 8 8 THR HG23 H 1 1.304 0.01 . 1 . 71 . . 8 THR HG23 . 25213 1 75 . 1 1 8 8 THR C C 13 176.470 0.10 . 1 . 67 . . 8 THR C . 25213 1 76 . 1 1 8 8 THR CA C 13 60.870 0.10 . 1 . 65 . . 8 THR CA . 25213 1 77 . 1 1 8 8 THR CB C 13 71.790 0.10 . 1 . 68 . . 8 THR CB . 25213 1 78 . 1 1 8 8 THR CG2 C 13 19.750 0.10 . 1 . 70 . . 8 THR CG2 . 25213 1 79 . 1 1 8 8 THR N N 15 109.730 0.10 . 1 . 63 . . 8 THR N . 25213 1 80 . 1 1 9 9 VAL H H 1 8.763 0.01 . 1 . 73 . . 9 VAL H . 25213 1 81 . 1 1 9 9 VAL HA H 1 3.601 0.01 . 1 . 75 . . 9 VAL HA . 25213 1 82 . 1 1 9 9 VAL HB H 1 2.086 0.01 . 1 . 78 . . 9 VAL HB . 25213 1 83 . 1 1 9 9 VAL HG11 H 1 0.933 0.01 . 2 . 80 . . 9 VAL HG11 . 25213 1 84 . 1 1 9 9 VAL HG12 H 1 0.933 0.01 . 2 . 80 . . 9 VAL HG12 . 25213 1 85 . 1 1 9 9 VAL HG13 H 1 0.933 0.01 . 2 . 80 . . 9 VAL HG13 . 25213 1 86 . 1 1 9 9 VAL HG21 H 1 1.066 0.01 . 2 . 82 . . 9 VAL HG21 . 25213 1 87 . 1 1 9 9 VAL HG22 H 1 1.066 0.01 . 2 . 82 . . 9 VAL HG22 . 25213 1 88 . 1 1 9 9 VAL HG23 H 1 1.066 0.01 . 2 . 82 . . 9 VAL HG23 . 25213 1 89 . 1 1 9 9 VAL C C 13 177.960 0.10 . 1 . 76 . . 9 VAL C . 25213 1 90 . 1 1 9 9 VAL CA C 13 68.520 0.10 . 1 . 74 . . 9 VAL CA . 25213 1 91 . 1 1 9 9 VAL CB C 13 31.900 0.10 . 1 . 77 . . 9 VAL CB . 25213 1 92 . 1 1 9 9 VAL CG1 C 13 19.470 0.10 . 1 . 79 . . 9 VAL CG1 . 25213 1 93 . 1 1 9 9 VAL CG2 C 13 21.470 0.10 . 1 . 81 . . 9 VAL CG2 . 25213 1 94 . 1 1 9 9 VAL N N 15 119.300 0.10 . 1 . 72 . . 9 VAL N . 25213 1 95 . 1 1 10 10 VAL H H 1 7.738 0.01 . 1 . 84 . . 10 VAL H . 25213 1 96 . 1 1 10 10 VAL HA H 1 3.573 0.01 . 1 . 86 . . 10 VAL HA . 25213 1 97 . 1 1 10 10 VAL HB H 1 1.903 0.01 . 1 . 89 . . 10 VAL HB . 25213 1 98 . 1 1 10 10 VAL HG11 H 1 0.907 0.01 . 2 . 91 . . 10 VAL HG11 . 25213 1 99 . 1 1 10 10 VAL HG12 H 1 0.907 0.01 . 2 . 91 . . 10 VAL HG12 . 25213 1 100 . 1 1 10 10 VAL HG13 H 1 0.907 0.01 . 2 . 91 . . 10 VAL HG13 . 25213 1 101 . 1 1 10 10 VAL HG21 H 1 1.025 0.01 . 2 . 93 . . 10 VAL HG21 . 25213 1 102 . 1 1 10 10 VAL HG22 H 1 1.025 0.01 . 2 . 93 . . 10 VAL HG22 . 25213 1 103 . 1 1 10 10 VAL HG23 H 1 1.025 0.01 . 2 . 93 . . 10 VAL HG23 . 25213 1 104 . 1 1 10 10 VAL C C 13 179.200 0.10 . 1 . 87 . . 10 VAL C . 25213 1 105 . 1 1 10 10 VAL CA C 13 67.490 0.10 . 1 . 85 . . 10 VAL CA . 25213 1 106 . 1 1 10 10 VAL CB C 13 32.450 0.10 . 1 . 88 . . 10 VAL CB . 25213 1 107 . 1 1 10 10 VAL CG1 C 13 19.050 0.10 . 1 . 90 . . 10 VAL CG1 . 25213 1 108 . 1 1 10 10 VAL CG2 C 13 20.650 0.10 . 1 . 92 . . 10 VAL CG2 . 25213 1 109 . 1 1 10 10 VAL N N 15 117.620 0.10 . 1 . 83 . . 10 VAL N . 25213 1 110 . 1 1 11 11 GLN H H 1 7.524 0.01 . 1 . 95 . . 11 GLN H . 25213 1 111 . 1 1 11 11 GLN HA H 1 4.090 0.01 . 1 . 97 . . 11 GLN HA . 25213 1 112 . 1 1 11 11 GLN HB2 H 1 1.923 0.01 . 1 . 100 . . 11 GLN HB2 . 25213 1 113 . 1 1 11 11 GLN HB3 H 1 2.494 0.01 . 1 . 101 . . 11 GLN HB3 . 25213 1 114 . 1 1 11 11 GLN HG2 H 1 2.440 0.01 . 2 . 102 . . 11 GLN HG2 . 25213 1 115 . 1 1 11 11 GLN HG3 H 1 2.393 0.01 . 2 . 103 . . 11 GLN HG3 . 25213 1 116 . 1 1 11 11 GLN HE21 H 1 6.723 0.01 . 1 . 104 . . 11 GLN HE21 . 25213 1 117 . 1 1 11 11 GLN HE22 H 1 7.539 0.01 . 1 . 105 . . 11 GLN HE22 . 25213 1 118 . 1 1 11 11 GLN C C 13 180.470 0.10 . 1 . 98 . . 11 GLN C . 25213 1 119 . 1 1 11 11 GLN CA C 13 59.340 0.10 . 1 . 96 . . 11 GLN CA . 25213 1 120 . 1 1 11 11 GLN CB C 13 30.370 0.10 . 1 . 99 . . 11 GLN CB . 25213 1 121 . 1 1 11 11 GLN N N 15 119.670 0.10 . 1 . 94 . . 11 GLN N . 25213 1 122 . 1 1 12 12 LEU H H 1 8.699 0.01 . 1 . 107 . . 12 LEU H . 25213 1 123 . 1 1 12 12 LEU HA H 1 3.848 0.01 . 1 . 109 . . 12 LEU HA . 25213 1 124 . 1 1 12 12 LEU HB2 H 1 1.068 0.01 . 1 . 112 . . 12 LEU HB2 . 25213 1 125 . 1 1 12 12 LEU HB3 H 1 2.064 0.01 . 1 . 113 . . 12 LEU HB3 . 25213 1 126 . 1 1 12 12 LEU HG H 1 1.760 0.01 . 1 . 114 . . 12 LEU HG . 25213 1 127 . 1 1 12 12 LEU HD11 H 1 0.758 0.01 . 2 . 116 . . 12 LEU HD11 . 25213 1 128 . 1 1 12 12 LEU HD12 H 1 0.758 0.01 . 2 . 116 . . 12 LEU HD12 . 25213 1 129 . 1 1 12 12 LEU HD13 H 1 0.758 0.01 . 2 . 116 . . 12 LEU HD13 . 25213 1 130 . 1 1 12 12 LEU HD21 H 1 0.852 0.01 . 2 . 118 . . 12 LEU HD21 . 25213 1 131 . 1 1 12 12 LEU HD22 H 1 0.852 0.01 . 2 . 118 . . 12 LEU HD22 . 25213 1 132 . 1 1 12 12 LEU HD23 H 1 0.852 0.01 . 2 . 118 . . 12 LEU HD23 . 25213 1 133 . 1 1 12 12 LEU C C 13 179.440 0.10 . 1 . 110 . . 12 LEU C . 25213 1 134 . 1 1 12 12 LEU CA C 13 58.910 0.10 . 1 . 108 . . 12 LEU CA . 25213 1 135 . 1 1 12 12 LEU CB C 13 43.270 0.10 . 1 . 111 . . 12 LEU CB . 25213 1 136 . 1 1 12 12 LEU CD1 C 13 25.490 0.10 . 1 . 115 . . 12 LEU CD1 . 25213 1 137 . 1 1 12 12 LEU CD2 C 13 23.130 0.10 . 1 . 117 . . 12 LEU CD2 . 25213 1 138 . 1 1 12 12 LEU N N 15 121.490 0.10 . 1 . 106 . . 12 LEU N . 25213 1 139 . 1 1 13 13 LYS H H 1 8.589 0.01 . 1 . 120 . . 13 LYS H . 25213 1 140 . 1 1 13 13 LYS HA H 1 3.893 0.01 . 1 . 122 . . 13 LYS HA . 25213 1 141 . 1 1 13 13 LYS HB2 H 1 1.875 0.01 . 1 . 125 . . 13 LYS HB2 . 25213 1 142 . 1 1 13 13 LYS HB3 H 1 1.875 0.01 . 1 . 126 . . 13 LYS HB3 . 25213 1 143 . 1 1 13 13 LYS HG2 H 1 1.252 0.01 . 1 . 127 . . 13 LYS HG2 . 25213 1 144 . 1 1 13 13 LYS HG3 H 1 1.252 0.01 . 1 . 128 . . 13 LYS HG3 . 25213 1 145 . 1 1 13 13 LYS HD2 H 1 1.674 0.01 . 2 . 129 . . 13 LYS HD2 . 25213 1 146 . 1 1 13 13 LYS HD3 H 1 1.579 0.01 . 2 . 130 . . 13 LYS HD3 . 25213 1 147 . 1 1 13 13 LYS HE2 H 1 2.806 0.01 . 2 . 131 . . 13 LYS HE2 . 25213 1 148 . 1 1 13 13 LYS HE3 H 1 2.982 0.01 . 2 . 132 . . 13 LYS HE3 . 25213 1 149 . 1 1 13 13 LYS C C 13 179.780 0.10 . 1 . 123 . . 13 LYS C . 25213 1 150 . 1 1 13 13 LYS CA C 13 61.650 0.10 . 1 . 121 . . 13 LYS CA . 25213 1 151 . 1 1 13 13 LYS CB C 13 32.660 0.10 . 1 . 124 . . 13 LYS CB . 25213 1 152 . 1 1 13 13 LYS N N 15 117.610 0.10 . 1 . 119 . . 13 LYS N . 25213 1 153 . 1 1 14 14 ASP H H 1 7.963 0.01 . 1 . 134 . . 14 ASP H . 25213 1 154 . 1 1 14 14 ASP HA H 1 4.381 0.01 . 1 . 136 . . 14 ASP HA . 25213 1 155 . 1 1 14 14 ASP HB2 H 1 2.699 0.01 . 2 . 139 . . 14 ASP HB2 . 25213 1 156 . 1 1 14 14 ASP HB3 H 1 2.749 0.01 . 2 . 140 . . 14 ASP HB3 . 25213 1 157 . 1 1 14 14 ASP C C 13 179.020 0.10 . 1 . 137 . . 14 ASP C . 25213 1 158 . 1 1 14 14 ASP CA C 13 58.310 0.10 . 1 . 135 . . 14 ASP CA . 25213 1 159 . 1 1 14 14 ASP CB C 13 41.520 0.10 . 1 . 138 . . 14 ASP CB . 25213 1 160 . 1 1 14 14 ASP N N 15 121.450 0.10 . 1 . 133 . . 14 ASP N . 25213 1 161 . 1 1 15 15 LEU H H 1 7.655 0.01 . 1 . 142 . . 15 LEU H . 25213 1 162 . 1 1 15 15 LEU HA H 1 3.990 0.01 . 1 . 144 . . 15 LEU HA . 25213 1 163 . 1 1 15 15 LEU HB2 H 1 1.341 0.01 . 1 . 147 . . 15 LEU HB2 . 25213 1 164 . 1 1 15 15 LEU HB3 H 1 1.957 0.01 . 1 . 148 . . 15 LEU HB3 . 25213 1 165 . 1 1 15 15 LEU HG H 1 1.841 0.01 . 1 . 149 . . 15 LEU HG . 25213 1 166 . 1 1 15 15 LEU HD11 H 1 0.936 0.01 . 2 . 151 . . 15 LEU HD11 . 25213 1 167 . 1 1 15 15 LEU HD12 H 1 0.936 0.01 . 2 . 151 . . 15 LEU HD12 . 25213 1 168 . 1 1 15 15 LEU HD13 H 1 0.936 0.01 . 2 . 151 . . 15 LEU HD13 . 25213 1 169 . 1 1 15 15 LEU HD21 H 1 0.886 0.01 . 2 . 153 . . 15 LEU HD21 . 25213 1 170 . 1 1 15 15 LEU HD22 H 1 0.886 0.01 . 2 . 153 . . 15 LEU HD22 . 25213 1 171 . 1 1 15 15 LEU HD23 H 1 0.886 0.01 . 2 . 153 . . 15 LEU HD23 . 25213 1 172 . 1 1 15 15 LEU C C 13 180.440 0.10 . 1 . 145 . . 15 LEU C . 25213 1 173 . 1 1 15 15 LEU CA C 13 58.610 0.10 . 1 . 143 . . 15 LEU CA . 25213 1 174 . 1 1 15 15 LEU CB C 13 42.910 0.10 . 1 . 146 . . 15 LEU CB . 25213 1 175 . 1 1 15 15 LEU CD1 C 13 23.930 0.10 . 1 . 150 . . 15 LEU CD1 . 25213 1 176 . 1 1 15 15 LEU CD2 C 13 21.330 0.10 . 1 . 152 . . 15 LEU CD2 . 25213 1 177 . 1 1 15 15 LEU N N 15 119.440 0.10 . 1 . 141 . . 15 LEU N . 25213 1 178 . 1 1 16 16 LEU H H 1 8.288 0.01 . 1 . 155 . . 16 LEU H . 25213 1 179 . 1 1 16 16 LEU HA H 1 3.603 0.01 . 1 . 157 . . 16 LEU HA . 25213 1 180 . 1 1 16 16 LEU HB2 H 1 1.250 0.01 . 1 . 160 . . 16 LEU HB2 . 25213 1 181 . 1 1 16 16 LEU HB3 H 1 1.805 0.01 . 1 . 161 . . 16 LEU HB3 . 25213 1 182 . 1 1 16 16 LEU HG H 1 1.489 0.01 . 1 . 162 . . 16 LEU HG . 25213 1 183 . 1 1 16 16 LEU HD11 H 1 0.969 0.01 . 2 . 164 . . 16 LEU HD11 . 25213 1 184 . 1 1 16 16 LEU HD12 H 1 0.969 0.01 . 2 . 164 . . 16 LEU HD12 . 25213 1 185 . 1 1 16 16 LEU HD13 H 1 0.969 0.01 . 2 . 164 . . 16 LEU HD13 . 25213 1 186 . 1 1 16 16 LEU HD21 H 1 0.775 0.01 . 2 . 166 . . 16 LEU HD21 . 25213 1 187 . 1 1 16 16 LEU HD22 H 1 0.775 0.01 . 2 . 166 . . 16 LEU HD22 . 25213 1 188 . 1 1 16 16 LEU HD23 H 1 0.775 0.01 . 2 . 166 . . 16 LEU HD23 . 25213 1 189 . 1 1 16 16 LEU C C 13 179.780 0.10 . 1 . 158 . . 16 LEU C . 25213 1 190 . 1 1 16 16 LEU CA C 13 59.270 0.10 . 1 . 156 . . 16 LEU CA . 25213 1 191 . 1 1 16 16 LEU CB C 13 42.070 0.10 . 1 . 159 . . 16 LEU CB . 25213 1 192 . 1 1 16 16 LEU CD1 C 13 26.030 0.10 . 1 . 163 . . 16 LEU CD1 . 25213 1 193 . 1 1 16 16 LEU CD2 C 13 23.360 0.10 . 1 . 165 . . 16 LEU CD2 . 25213 1 194 . 1 1 16 16 LEU N N 15 119.690 0.10 . 1 . 154 . . 16 LEU N . 25213 1 195 . 1 1 17 17 THR H H 1 8.461 0.01 . 1 . 168 . . 17 THR H . 25213 1 196 . 1 1 17 17 THR HA H 1 3.982 0.01 . 1 . 170 . . 17 THR HA . 25213 1 197 . 1 1 17 17 THR HB H 1 4.342 0.01 . 1 . 173 . . 17 THR HB . 25213 1 198 . 1 1 17 17 THR HG21 H 1 1.212 0.01 . 1 . 175 . . 17 THR HG21 . 25213 1 199 . 1 1 17 17 THR HG22 H 1 1.212 0.01 . 1 . 175 . . 17 THR HG22 . 25213 1 200 . 1 1 17 17 THR HG23 H 1 1.212 0.01 . 1 . 175 . . 17 THR HG23 . 25213 1 201 . 1 1 17 17 THR C C 13 179.420 0.10 . 1 . 171 . . 17 THR C . 25213 1 202 . 1 1 17 17 THR CA C 13 67.500 0.10 . 1 . 169 . . 17 THR CA . 25213 1 203 . 1 1 17 17 THR CB C 13 69.130 0.10 . 1 . 172 . . 17 THR CB . 25213 1 204 . 1 1 17 17 THR CG2 C 13 19.220 0.10 . 1 . 174 . . 17 THR CG2 . 25213 1 205 . 1 1 17 17 THR N N 15 116.450 0.10 . 1 . 167 . . 17 THR N . 25213 1 206 . 1 1 18 18 LYS H H 1 7.803 0.01 . 1 . 177 . . 18 LYS H . 25213 1 207 . 1 1 18 18 LYS HA H 1 4.022 0.01 . 1 . 179 . . 18 LYS HA . 25213 1 208 . 1 1 18 18 LYS HB2 H 1 1.935 0.01 . 2 . 182 . . 18 LYS HB2 . 25213 1 209 . 1 1 18 18 LYS HB3 H 1 1.916 0.01 . 2 . 183 . . 18 LYS HB3 . 25213 1 210 . 1 1 18 18 LYS HG2 H 1 1.467 0.01 . 2 . 184 . . 18 LYS HG2 . 25213 1 211 . 1 1 18 18 LYS HG3 H 1 1.596 0.01 . 2 . 185 . . 18 LYS HG3 . 25213 1 212 . 1 1 18 18 LYS HD2 H 1 1.590 0.01 . 1 . 186 . . 18 LYS HD2 . 25213 1 213 . 1 1 18 18 LYS HD3 H 1 1.590 0.01 . 1 . 187 . . 18 LYS HD3 . 25213 1 214 . 1 1 18 18 LYS HE2 H 1 2.935 0.01 . 1 . 188 . . 18 LYS HE2 . 25213 1 215 . 1 1 18 18 LYS HE3 H 1 2.935 0.01 . 1 . 189 . . 18 LYS HE3 . 25213 1 216 . 1 1 18 18 LYS C C 13 178.330 0.10 . 1 . 180 . . 18 LYS C . 25213 1 217 . 1 1 18 18 LYS CA C 13 59.900 0.10 . 1 . 178 . . 18 LYS CA . 25213 1 218 . 1 1 18 18 LYS CB C 13 32.920 0.10 . 1 . 181 . . 18 LYS CB . 25213 1 219 . 1 1 18 18 LYS N N 15 123.160 0.10 . 1 . 176 . . 18 LYS N . 25213 1 220 . 1 1 19 19 ARG H H 1 7.263 0.01 . 1 . 191 . . 19 ARG H . 25213 1 221 . 1 1 19 19 ARG HA H 1 4.283 0.01 . 1 . 193 . . 19 ARG HA . 25213 1 222 . 1 1 19 19 ARG HB2 H 1 2.031 0.01 . 1 . 196 . . 19 ARG HB2 . 25213 1 223 . 1 1 19 19 ARG HB3 H 1 1.482 0.01 . 1 . 197 . . 19 ARG HB3 . 25213 1 224 . 1 1 19 19 ARG HG2 H 1 1.781 0.01 . 2 . 198 . . 19 ARG HG2 . 25213 1 225 . 1 1 19 19 ARG HG3 H 1 1.585 0.01 . 2 . 199 . . 19 ARG HG3 . 25213 1 226 . 1 1 19 19 ARG HD2 H 1 3.325 0.01 . 2 . 200 . . 19 ARG HD2 . 25213 1 227 . 1 1 19 19 ARG HD3 H 1 2.649 0.01 . 2 . 201 . . 19 ARG HD3 . 25213 1 228 . 1 1 19 19 ARG HE H 1 6.745 0.01 . 1 . 202 . . 19 ARG HE . 25213 1 229 . 1 1 19 19 ARG C C 13 175.250 0.10 . 1 . 194 . . 19 ARG C . 25213 1 230 . 1 1 19 19 ARG CA C 13 56.370 0.10 . 1 . 192 . . 19 ARG CA . 25213 1 231 . 1 1 19 19 ARG CB C 13 32.000 0.10 . 1 . 195 . . 19 ARG CB . 25213 1 232 . 1 1 19 19 ARG N N 15 116.290 0.10 . 1 . 190 . . 19 ARG N . 25213 1 233 . 1 1 20 20 ASN H H 1 8.036 0.01 . 1 . 204 . . 20 ASN H . 25213 1 234 . 1 1 20 20 ASN HA H 1 4.344 0.01 . 1 . 206 . . 20 ASN HA . 25213 1 235 . 1 1 20 20 ASN HB2 H 1 2.770 0.01 . 2 . 209 . . 20 ASN HB2 . 25213 1 236 . 1 1 20 20 ASN HB3 H 1 3.073 0.01 . 2 . 210 . . 20 ASN HB3 . 25213 1 237 . 1 1 20 20 ASN HD21 H 1 6.755 0.01 . 1 . 211 . . 20 ASN HD21 . 25213 1 238 . 1 1 20 20 ASN HD22 H 1 7.524 0.01 . 1 . 212 . . 20 ASN HD22 . 25213 1 239 . 1 1 20 20 ASN C C 13 174.580 0.10 . 1 . 207 . . 20 ASN C . 25213 1 240 . 1 1 20 20 ASN CA C 13 55.060 0.10 . 1 . 205 . . 20 ASN CA . 25213 1 241 . 1 1 20 20 ASN CB C 13 37.700 0.10 . 1 . 208 . . 20 ASN CB . 25213 1 242 . 1 1 20 20 ASN N N 15 115.360 0.10 . 1 . 203 . . 20 ASN N . 25213 1 243 . 1 1 21 21 LEU H H 1 7.911 0.01 . 1 . 214 . . 21 LEU H . 25213 1 244 . 1 1 21 21 LEU HA H 1 4.610 0.01 . 1 . 216 . . 21 LEU HA . 25213 1 245 . 1 1 21 21 LEU HB2 H 1 1.186 0.01 . 1 . 219 . . 21 LEU HB2 . 25213 1 246 . 1 1 21 21 LEU HB3 H 1 1.551 0.01 . 1 . 220 . . 21 LEU HB3 . 25213 1 247 . 1 1 21 21 LEU HG H 1 1.486 0.01 . 1 . 221 . . 21 LEU HG . 25213 1 248 . 1 1 21 21 LEU HD11 H 1 0.682 0.01 . 2 . 223 . . 21 LEU HD11 . 25213 1 249 . 1 1 21 21 LEU HD12 H 1 0.682 0.01 . 2 . 223 . . 21 LEU HD12 . 25213 1 250 . 1 1 21 21 LEU HD13 H 1 0.682 0.01 . 2 . 223 . . 21 LEU HD13 . 25213 1 251 . 1 1 21 21 LEU HD21 H 1 0.812 0.01 . 2 . 225 . . 21 LEU HD21 . 25213 1 252 . 1 1 21 21 LEU HD22 H 1 0.812 0.01 . 2 . 225 . . 21 LEU HD22 . 25213 1 253 . 1 1 21 21 LEU HD23 H 1 0.812 0.01 . 2 . 225 . . 21 LEU HD23 . 25213 1 254 . 1 1 21 21 LEU C C 13 176.300 0.10 . 1 . 217 . . 21 LEU C . 25213 1 255 . 1 1 21 21 LEU CA C 13 53.250 0.10 . 1 . 215 . . 21 LEU CA . 25213 1 256 . 1 1 21 21 LEU CB C 13 46.160 0.10 . 1 . 218 . . 21 LEU CB . 25213 1 257 . 1 1 21 21 LEU CD1 C 13 24.000 0.10 . 1 . 222 . . 21 LEU CD1 . 25213 1 258 . 1 1 21 21 LEU CD2 C 13 20.540 0.10 . 1 . 224 . . 21 LEU CD2 . 25213 1 259 . 1 1 21 21 LEU N N 15 117.720 0.10 . 1 . 213 . . 21 LEU N . 25213 1 260 . 1 1 22 22 SER H H 1 8.064 0.01 . 1 . 227 . . 22 SER H . 25213 1 261 . 1 1 22 22 SER HA H 1 4.203 0.01 . 1 . 229 . . 22 SER HA . 25213 1 262 . 1 1 22 22 SER HB2 H 1 3.910 0.01 . 2 . 232 . . 22 SER HB2 . 25213 1 263 . 1 1 22 22 SER HB3 H 1 3.553 0.01 . 2 . 233 . . 22 SER HB3 . 25213 1 264 . 1 1 22 22 SER C C 13 176.880 0.10 . 1 . 230 . . 22 SER C . 25213 1 265 . 1 1 22 22 SER CA C 13 58.870 0.10 . 1 . 228 . . 22 SER CA . 25213 1 266 . 1 1 22 22 SER CB C 13 64.320 0.10 . 1 . 231 . . 22 SER CB . 25213 1 267 . 1 1 22 22 SER N N 15 112.460 0.10 . 1 . 226 . . 22 SER N . 25213 1 268 . 1 1 23 23 VAL H H 1 8.025 0.01 . 1 . 235 . . 23 VAL H . 25213 1 269 . 1 1 23 23 VAL HA H 1 4.341 0.01 . 1 . 237 . . 23 VAL HA . 25213 1 270 . 1 1 23 23 VAL HB H 1 2.361 0.01 . 1 . 240 . . 23 VAL HB . 25213 1 271 . 1 1 23 23 VAL HG11 H 1 0.929 0.01 . 2 . 242 . . 23 VAL HG11 . 25213 1 272 . 1 1 23 23 VAL HG12 H 1 0.929 0.01 . 2 . 242 . . 23 VAL HG12 . 25213 1 273 . 1 1 23 23 VAL HG13 H 1 0.929 0.01 . 2 . 242 . . 23 VAL HG13 . 25213 1 274 . 1 1 23 23 VAL HG21 H 1 0.772 0.01 . 2 . 244 . . 23 VAL HG21 . 25213 1 275 . 1 1 23 23 VAL HG22 H 1 0.772 0.01 . 2 . 244 . . 23 VAL HG22 . 25213 1 276 . 1 1 23 23 VAL HG23 H 1 0.772 0.01 . 2 . 244 . . 23 VAL HG23 . 25213 1 277 . 1 1 23 23 VAL C C 13 176.070 0.10 . 1 . 238 . . 23 VAL C . 25213 1 278 . 1 1 23 23 VAL CA C 13 61.250 0.10 . 1 . 236 . . 23 VAL CA . 25213 1 279 . 1 1 23 23 VAL CB C 13 32.160 0.10 . 1 . 239 . . 23 VAL CB . 25213 1 280 . 1 1 23 23 VAL CG1 C 13 20.330 0.10 . 1 . 241 . . 23 VAL CG1 . 25213 1 281 . 1 1 23 23 VAL CG2 C 13 16.170 0.10 . 1 . 243 . . 23 VAL CG2 . 25213 1 282 . 1 1 23 23 VAL N N 15 114.710 0.10 . 1 . 234 . . 23 VAL N . 25213 1 283 . 1 1 24 24 GLY H H 1 7.981 0.01 . 1 . 246 . . 24 GLY H . 25213 1 284 . 1 1 24 24 GLY HA2 H 1 4.001 0.01 . 2 . 248 . . 24 GLY HA2 . 25213 1 285 . 1 1 24 24 GLY HA3 H 1 3.594 0.01 . 2 . 249 . . 24 GLY HA3 . 25213 1 286 . 1 1 24 24 GLY C C 13 174.300 0.10 . 1 . 250 . . 24 GLY C . 25213 1 287 . 1 1 24 24 GLY CA C 13 45.950 0.10 . 1 . 247 . . 24 GLY CA . 25213 1 288 . 1 1 24 24 GLY N N 15 108.790 0.10 . 1 . 245 . . 24 GLY N . 25213 1 289 . 1 1 25 25 GLY H H 1 8.089 0.01 . 1 . 252 . . 25 GLY H . 25213 1 290 . 1 1 25 25 GLY HA2 H 1 3.634 0.01 . 2 . 254 . . 25 GLY HA2 . 25213 1 291 . 1 1 25 25 GLY HA3 H 1 4.494 0.01 . 2 . 255 . . 25 GLY HA3 . 25213 1 292 . 1 1 25 25 GLY C C 13 174.930 0.10 . 1 . 256 . . 25 GLY C . 25213 1 293 . 1 1 25 25 GLY CA C 13 44.270 0.10 . 1 . 253 . . 25 GLY CA . 25213 1 294 . 1 1 25 25 GLY N N 15 108.740 0.10 . 1 . 251 . . 25 GLY N . 25213 1 295 . 1 1 26 26 LEU H H 1 8.363 0.01 . 1 . 258 . . 26 LEU H . 25213 1 296 . 1 1 26 26 LEU HA H 1 4.362 0.01 . 1 . 260 . . 26 LEU HA . 25213 1 297 . 1 1 26 26 LEU HB2 H 1 1.720 0.01 . 1 . 263 . . 26 LEU HB2 . 25213 1 298 . 1 1 26 26 LEU HB3 H 1 1.720 0.01 . 1 . 264 . . 26 LEU HB3 . 25213 1 299 . 1 1 26 26 LEU HG H 1 1.721 0.01 . 1 . 265 . . 26 LEU HG . 25213 1 300 . 1 1 26 26 LEU HD11 H 1 0.924 0.01 . 2 . 267 . . 26 LEU HD11 . 25213 1 301 . 1 1 26 26 LEU HD12 H 1 0.924 0.01 . 2 . 267 . . 26 LEU HD12 . 25213 1 302 . 1 1 26 26 LEU HD13 H 1 0.924 0.01 . 2 . 267 . . 26 LEU HD13 . 25213 1 303 . 1 1 26 26 LEU HD21 H 1 0.878 0.01 . 2 . 269 . . 26 LEU HD21 . 25213 1 304 . 1 1 26 26 LEU HD22 H 1 0.878 0.01 . 2 . 269 . . 26 LEU HD22 . 25213 1 305 . 1 1 26 26 LEU HD23 H 1 0.878 0.01 . 2 . 269 . . 26 LEU HD23 . 25213 1 306 . 1 1 26 26 LEU C C 13 179.080 0.10 . 1 . 261 . . 26 LEU C . 25213 1 307 . 1 1 26 26 LEU CA C 13 54.710 0.10 . 1 . 259 . . 26 LEU CA . 25213 1 308 . 1 1 26 26 LEU CB C 13 43.130 0.10 . 1 . 262 . . 26 LEU CB . 25213 1 309 . 1 1 26 26 LEU CD1 C 13 23.450 0.10 . 1 . 266 . . 26 LEU CD1 . 25213 1 310 . 1 1 26 26 LEU CD2 C 13 20.380 0.10 . 1 . 268 . . 26 LEU CD2 . 25213 1 311 . 1 1 26 26 LEU N N 15 117.930 0.10 . 1 . 257 . . 26 LEU N . 25213 1 312 . 1 1 27 27 LYS H H 1 8.729 0.01 . 1 . 271 . . 27 LYS H . 25213 1 313 . 1 1 27 27 LYS HA H 1 3.622 0.01 . 1 . 273 . . 27 LYS HA . 25213 1 314 . 1 1 27 27 LYS HB2 H 1 1.786 0.01 . 1 . 276 . . 27 LYS HB2 . 25213 1 315 . 1 1 27 27 LYS HB3 H 1 1.786 0.01 . 1 . 277 . . 27 LYS HB3 . 25213 1 316 . 1 1 27 27 LYS HG2 H 1 1.120 0.01 . 2 . 278 . . 27 LYS HG2 . 25213 1 317 . 1 1 27 27 LYS HG3 H 1 1.249 0.01 . 2 . 279 . . 27 LYS HG3 . 25213 1 318 . 1 1 27 27 LYS HD2 H 1 1.669 0.01 . 2 . 280 . . 27 LYS HD2 . 25213 1 319 . 1 1 27 27 LYS HD3 H 1 1.601 0.01 . 2 . 281 . . 27 LYS HD3 . 25213 1 320 . 1 1 27 27 LYS HE2 H 1 2.915 0.01 . 1 . 282 . . 27 LYS HE2 . 25213 1 321 . 1 1 27 27 LYS HE3 H 1 2.915 0.01 . 1 . 283 . . 27 LYS HE3 . 25213 1 322 . 1 1 27 27 LYS C C 13 177.980 0.10 . 1 . 274 . . 27 LYS C . 25213 1 323 . 1 1 27 27 LYS CA C 13 62.600 0.10 . 1 . 272 . . 27 LYS CA . 25213 1 324 . 1 1 27 27 LYS CB C 13 32.750 0.10 . 1 . 275 . . 27 LYS CB . 25213 1 325 . 1 1 27 27 LYS N N 15 120.460 0.10 . 1 . 270 . . 27 LYS N . 25213 1 326 . 1 1 28 28 ASN H H 1 8.800 0.01 . 1 . 285 . . 28 ASN H . 25213 1 327 . 1 1 28 28 ASN HA H 1 4.283 0.01 . 1 . 287 . . 28 ASN HA . 25213 1 328 . 1 1 28 28 ASN HB2 H 1 2.707 0.01 . 1 . 290 . . 28 ASN HB2 . 25213 1 329 . 1 1 28 28 ASN HB3 H 1 2.707 0.01 . 1 . 291 . . 28 ASN HB3 . 25213 1 330 . 1 1 28 28 ASN HD21 H 1 6.978 0.01 . 1 . 292 . . 28 ASN HD21 . 25213 1 331 . 1 1 28 28 ASN HD22 H 1 7.650 0.01 . 1 . 293 . . 28 ASN HD22 . 25213 1 332 . 1 1 28 28 ASN C C 13 178.150 0.10 . 1 . 288 . . 28 ASN C . 25213 1 333 . 1 1 28 28 ASN CA C 13 57.280 0.10 . 1 . 286 . . 28 ASN CA . 25213 1 334 . 1 1 28 28 ASN CB C 13 38.050 0.10 . 1 . 289 . . 28 ASN CB . 25213 1 335 . 1 1 28 28 ASN N N 15 112.450 0.10 . 1 . 284 . . 28 ASN N . 25213 1 336 . 1 1 29 29 GLU H H 1 7.351 0.01 . 1 . 295 . . 29 GLU H . 25213 1 337 . 1 1 29 29 GLU HA H 1 3.986 0.01 . 1 . 297 . . 29 GLU HA . 25213 1 338 . 1 1 29 29 GLU HB2 H 1 1.981 0.01 . 2 . 300 . . 29 GLU HB2 . 25213 1 339 . 1 1 29 29 GLU HB3 H 1 2.363 0.01 . 2 . 301 . . 29 GLU HB3 . 25213 1 340 . 1 1 29 29 GLU HG2 H 1 2.211 0.01 . 1 . 302 . . 29 GLU HG2 . 25213 1 341 . 1 1 29 29 GLU HG3 H 1 2.211 0.01 . 1 . 303 . . 29 GLU HG3 . 25213 1 342 . 1 1 29 29 GLU C C 13 179.790 0.10 . 1 . 298 . . 29 GLU C . 25213 1 343 . 1 1 29 29 GLU CA C 13 59.510 0.10 . 1 . 296 . . 29 GLU CA . 25213 1 344 . 1 1 29 29 GLU CB C 13 30.150 0.10 . 1 . 299 . . 29 GLU CB . 25213 1 345 . 1 1 29 29 GLU N N 15 119.380 0.10 . 1 . 294 . . 29 GLU N . 25213 1 346 . 1 1 30 30 LEU H H 1 7.809 0.01 . 1 . 305 . . 30 LEU H . 25213 1 347 . 1 1 30 30 LEU HA H 1 3.731 0.01 . 1 . 307 . . 30 LEU HA . 25213 1 348 . 1 1 30 30 LEU HB2 H 1 1.169 0.01 . 1 . 310 . . 30 LEU HB2 . 25213 1 349 . 1 1 30 30 LEU HB3 H 1 2.107 0.01 . 1 . 311 . . 30 LEU HB3 . 25213 1 350 . 1 1 30 30 LEU HG H 1 1.667 0.01 . 1 . 312 . . 30 LEU HG . 25213 1 351 . 1 1 30 30 LEU HD11 H 1 0.735 0.01 . 2 . 314 . . 30 LEU HD11 . 25213 1 352 . 1 1 30 30 LEU HD12 H 1 0.735 0.01 . 2 . 314 . . 30 LEU HD12 . 25213 1 353 . 1 1 30 30 LEU HD13 H 1 0.735 0.01 . 2 . 314 . . 30 LEU HD13 . 25213 1 354 . 1 1 30 30 LEU HD21 H 1 0.339 0.01 . 2 . 316 . . 30 LEU HD21 . 25213 1 355 . 1 1 30 30 LEU HD22 H 1 0.339 0.01 . 2 . 316 . . 30 LEU HD22 . 25213 1 356 . 1 1 30 30 LEU HD23 H 1 0.339 0.01 . 2 . 316 . . 30 LEU HD23 . 25213 1 357 . 1 1 30 30 LEU C C 13 178.970 0.10 . 1 . 308 . . 30 LEU C . 25213 1 358 . 1 1 30 30 LEU CA C 13 58.710 0.10 . 1 . 306 . . 30 LEU CA . 25213 1 359 . 1 1 30 30 LEU CB C 13 41.550 0.10 . 1 . 309 . . 30 LEU CB . 25213 1 360 . 1 1 30 30 LEU CD1 C 13 25.060 0.10 . 1 . 313 . . 30 LEU CD1 . 25213 1 361 . 1 1 30 30 LEU CD2 C 13 19.780 0.10 . 1 . 315 . . 30 LEU CD2 . 25213 1 362 . 1 1 30 30 LEU N N 15 120.360 0.10 . 1 . 304 . . 30 LEU N . 25213 1 363 . 1 1 31 31 VAL H H 1 7.886 0.01 . 1 . 318 . . 31 VAL H . 25213 1 364 . 1 1 31 31 VAL HA H 1 3.198 0.01 . 1 . 320 . . 31 VAL HA . 25213 1 365 . 1 1 31 31 VAL HB H 1 2.062 0.01 . 1 . 323 . . 31 VAL HB . 25213 1 366 . 1 1 31 31 VAL HG11 H 1 0.973 0.01 . 2 . 325 . . 31 VAL HG11 . 25213 1 367 . 1 1 31 31 VAL HG12 H 1 0.973 0.01 . 2 . 325 . . 31 VAL HG12 . 25213 1 368 . 1 1 31 31 VAL HG13 H 1 0.973 0.01 . 2 . 325 . . 31 VAL HG13 . 25213 1 369 . 1 1 31 31 VAL HG21 H 1 0.941 0.01 . 2 . 327 . . 31 VAL HG21 . 25213 1 370 . 1 1 31 31 VAL HG22 H 1 0.941 0.01 . 2 . 327 . . 31 VAL HG22 . 25213 1 371 . 1 1 31 31 VAL HG23 H 1 0.941 0.01 . 2 . 327 . . 31 VAL HG23 . 25213 1 372 . 1 1 31 31 VAL C C 13 178.300 0.10 . 1 . 321 . . 31 VAL C . 25213 1 373 . 1 1 31 31 VAL CA C 13 67.680 0.10 . 1 . 319 . . 31 VAL CA . 25213 1 374 . 1 1 31 31 VAL CB C 13 32.790 0.10 . 1 . 322 . . 31 VAL CB . 25213 1 375 . 1 1 31 31 VAL CG1 C 13 19.740 0.10 . 1 . 324 . . 31 VAL CG1 . 25213 1 376 . 1 1 31 31 VAL CG2 C 13 21.890 0.10 . 1 . 326 . . 31 VAL CG2 . 25213 1 377 . 1 1 31 31 VAL N N 15 116.800 0.10 . 1 . 317 . . 31 VAL N . 25213 1 378 . 1 1 32 32 GLN H H 1 7.750 0.01 . 1 . 329 . . 32 GLN H . 25213 1 379 . 1 1 32 32 GLN HA H 1 3.886 0.01 . 1 . 331 . . 32 GLN HA . 25213 1 380 . 1 1 32 32 GLN HB2 H 1 2.059 0.01 . 1 . 334 . . 32 GLN HB2 . 25213 1 381 . 1 1 32 32 GLN HB3 H 1 2.059 0.01 . 1 . 335 . . 32 GLN HB3 . 25213 1 382 . 1 1 32 32 GLN HG2 H 1 2.469 0.01 . 1 . 336 . . 32 GLN HG2 . 25213 1 383 . 1 1 32 32 GLN HG3 H 1 2.469 0.01 . 1 . 337 . . 32 GLN HG3 . 25213 1 384 . 1 1 32 32 GLN HE21 H 1 6.907 0.01 . 1 . 338 . . 32 GLN HE21 . 25213 1 385 . 1 1 32 32 GLN HE22 H 1 7.412 0.01 . 1 . 339 . . 32 GLN HE22 . 25213 1 386 . 1 1 32 32 GLN C C 13 178.010 0.10 . 1 . 332 . . 32 GLN C . 25213 1 387 . 1 1 32 32 GLN CA C 13 59.040 0.10 . 1 . 330 . . 32 GLN CA . 25213 1 388 . 1 1 32 32 GLN CB C 13 28.740 0.10 . 1 . 333 . . 32 GLN CB . 25213 1 389 . 1 1 32 32 GLN N N 15 115.150 0.10 . 1 . 328 . . 32 GLN N . 25213 1 390 . 1 1 33 33 ARG H H 1 7.795 0.01 . 1 . 341 . . 33 ARG H . 25213 1 391 . 1 1 33 33 ARG HA H 1 3.883 0.01 . 1 . 343 . . 33 ARG HA . 25213 1 392 . 1 1 33 33 ARG HB2 H 1 1.805 0.01 . 1 . 346 . . 33 ARG HB2 . 25213 1 393 . 1 1 33 33 ARG HB3 H 1 2.010 0.01 . 1 . 347 . . 33 ARG HB3 . 25213 1 394 . 1 1 33 33 ARG HG2 H 1 1.408 0.01 . 2 . 348 . . 33 ARG HG2 . 25213 1 395 . 1 1 33 33 ARG HG3 H 1 1.680 0.01 . 2 . 349 . . 33 ARG HG3 . 25213 1 396 . 1 1 33 33 ARG HD2 H 1 3.143 0.01 . 2 . 350 . . 33 ARG HD2 . 25213 1 397 . 1 1 33 33 ARG HD3 H 1 3.383 0.01 . 2 . 351 . . 33 ARG HD3 . 25213 1 398 . 1 1 33 33 ARG HE H 1 7.232 0.01 . 1 . 352 . . 33 ARG HE . 25213 1 399 . 1 1 33 33 ARG HH11 H 1 6.274 0.01 . 1 . 353 . . 33 ARG HH11 . 25213 1 400 . 1 1 33 33 ARG HH12 H 1 6.274 0.01 . 1 . 354 . . 33 ARG HH12 . 25213 1 401 . 1 1 33 33 ARG HH21 H 1 6.274 0.01 . 1 . 355 . . 33 ARG HH21 . 25213 1 402 . 1 1 33 33 ARG HH22 H 1 6.274 0.01 . 1 . 356 . . 33 ARG HH22 . 25213 1 403 . 1 1 33 33 ARG C C 13 179.910 0.10 . 1 . 344 . . 33 ARG C . 25213 1 404 . 1 1 33 33 ARG CA C 13 60.350 0.10 . 1 . 342 . . 33 ARG CA . 25213 1 405 . 1 1 33 33 ARG CB C 13 30.510 0.10 . 1 . 345 . . 33 ARG CB . 25213 1 406 . 1 1 33 33 ARG N N 15 120.720 0.10 . 1 . 340 . . 33 ARG N . 25213 1 407 . 1 1 34 34 LEU H H 1 7.313 0.01 . 1 . 358 . . 34 LEU H . 25213 1 408 . 1 1 34 34 LEU HA H 1 3.650 0.01 . 1 . 360 . . 34 LEU HA . 25213 1 409 . 1 1 34 34 LEU HB2 H 1 0.440 0.01 . 1 . 363 . . 34 LEU HB2 . 25213 1 410 . 1 1 34 34 LEU HB3 H 1 1.294 0.01 . 1 . 364 . . 34 LEU HB3 . 25213 1 411 . 1 1 34 34 LEU HG H 1 1.293 0.01 . 1 . 365 . . 34 LEU HG . 25213 1 412 . 1 1 34 34 LEU HD11 H 1 0.351 0.01 . 2 . 367 . . 34 LEU HD11 . 25213 1 413 . 1 1 34 34 LEU HD12 H 1 0.351 0.01 . 2 . 367 . . 34 LEU HD12 . 25213 1 414 . 1 1 34 34 LEU HD13 H 1 0.351 0.01 . 2 . 367 . . 34 LEU HD13 . 25213 1 415 . 1 1 34 34 LEU HD21 H 1 0.382 0.01 . 2 . 369 . . 34 LEU HD21 . 25213 1 416 . 1 1 34 34 LEU HD22 H 1 0.382 0.01 . 2 . 369 . . 34 LEU HD22 . 25213 1 417 . 1 1 34 34 LEU HD23 H 1 0.382 0.01 . 2 . 369 . . 34 LEU HD23 . 25213 1 418 . 1 1 34 34 LEU C C 13 178.420 0.10 . 1 . 361 . . 34 LEU C . 25213 1 419 . 1 1 34 34 LEU CA C 13 58.690 0.10 . 1 . 359 . . 34 LEU CA . 25213 1 420 . 1 1 34 34 LEU CB C 13 42.190 0.10 . 1 . 362 . . 34 LEU CB . 25213 1 421 . 1 1 34 34 LEU CD1 C 13 25.160 0.10 . 1 . 366 . . 34 LEU CD1 . 25213 1 422 . 1 1 34 34 LEU CD2 C 13 20.880 0.10 . 1 . 368 . . 34 LEU CD2 . 25213 1 423 . 1 1 34 34 LEU N N 15 121.220 0.10 . 1 . 357 . . 34 LEU N . 25213 1 424 . 1 1 35 35 ILE H H 1 8.010 0.01 . 1 . 371 . . 35 ILE H . 25213 1 425 . 1 1 35 35 ILE HA H 1 3.784 0.01 . 1 . 373 . . 35 ILE HA . 25213 1 426 . 1 1 35 35 ILE HB H 1 1.771 0.01 . 1 . 376 . . 35 ILE HB . 25213 1 427 . 1 1 35 35 ILE HG12 H 1 1.976 0.01 . 2 . 377 . . 35 ILE HG12 . 25213 1 428 . 1 1 35 35 ILE HG13 H 1 1.251 0.01 . 2 . 378 . . 35 ILE HG13 . 25213 1 429 . 1 1 35 35 ILE HG21 H 1 0.935 0.01 . 1 . 380 . . 35 ILE HG21 . 25213 1 430 . 1 1 35 35 ILE HG22 H 1 0.935 0.01 . 1 . 380 . . 35 ILE HG22 . 25213 1 431 . 1 1 35 35 ILE HG23 H 1 0.935 0.01 . 1 . 380 . . 35 ILE HG23 . 25213 1 432 . 1 1 35 35 ILE HD11 H 1 0.910 0.01 . 1 . 382 . . 35 ILE HD11 . 25213 1 433 . 1 1 35 35 ILE HD12 H 1 0.910 0.01 . 1 . 382 . . 35 ILE HD12 . 25213 1 434 . 1 1 35 35 ILE HD13 H 1 0.910 0.01 . 1 . 382 . . 35 ILE HD13 . 25213 1 435 . 1 1 35 35 ILE C C 13 179.580 0.10 . 1 . 374 . . 35 ILE C . 25213 1 436 . 1 1 35 35 ILE CA C 13 66.290 0.10 . 1 . 372 . . 35 ILE CA . 25213 1 437 . 1 1 35 35 ILE CB C 13 38.930 0.10 . 1 . 375 . . 35 ILE CB . 25213 1 438 . 1 1 35 35 ILE CG2 C 13 14.950 0.10 . 1 . 379 . . 35 ILE CG2 . 25213 1 439 . 1 1 35 35 ILE CD1 C 13 12.330 0.10 . 1 . 381 . . 35 ILE CD1 . 25213 1 440 . 1 1 35 35 ILE N N 15 119.550 0.10 . 1 . 370 . . 35 ILE N . 25213 1 441 . 1 1 36 36 LYS H H 1 8.350 0.01 . 1 . 384 . . 36 LYS H . 25213 1 442 . 1 1 36 36 LYS HA H 1 4.060 0.01 . 1 . 386 . . 36 LYS HA . 25213 1 443 . 1 1 36 36 LYS HB2 H 1 1.867 0.01 . 2 . 389 . . 36 LYS HB2 . 25213 1 444 . 1 1 36 36 LYS HB3 H 1 1.773 0.01 . 2 . 390 . . 36 LYS HB3 . 25213 1 445 . 1 1 36 36 LYS HG2 H 1 1.477 0.01 . 2 . 391 . . 36 LYS HG2 . 25213 1 446 . 1 1 36 36 LYS HG3 H 1 1.408 0.01 . 2 . 392 . . 36 LYS HG3 . 25213 1 447 . 1 1 36 36 LYS HD2 H 1 1.673 0.01 . 1 . 393 . . 36 LYS HD2 . 25213 1 448 . 1 1 36 36 LYS HD3 H 1 1.673 0.01 . 1 . 394 . . 36 LYS HD3 . 25213 1 449 . 1 1 36 36 LYS HE2 H 1 2.946 0.01 . 1 . 395 . . 36 LYS HE2 . 25213 1 450 . 1 1 36 36 LYS HE3 H 1 2.946 0.01 . 1 . 396 . . 36 LYS HE3 . 25213 1 451 . 1 1 36 36 LYS C C 13 179.330 0.10 . 1 . 387 . . 36 LYS C . 25213 1 452 . 1 1 36 36 LYS CA C 13 59.430 0.10 . 1 . 385 . . 36 LYS CA . 25213 1 453 . 1 1 36 36 LYS CB C 13 32.420 0.10 . 1 . 388 . . 36 LYS CB . 25213 1 454 . 1 1 36 36 LYS N N 15 119.290 0.10 . 1 . 383 . . 36 LYS N . 25213 1 455 . 1 1 37 37 ASP H H 1 7.571 0.01 . 1 . 398 . . 37 ASP H . 25213 1 456 . 1 1 37 37 ASP HA H 1 4.388 0.01 . 1 . 400 . . 37 ASP HA . 25213 1 457 . 1 1 37 37 ASP HB2 H 1 2.530 0.01 . 2 . 403 . . 37 ASP HB2 . 25213 1 458 . 1 1 37 37 ASP HB3 H 1 2.567 0.01 . 2 . 404 . . 37 ASP HB3 . 25213 1 459 . 1 1 37 37 ASP C C 13 179.150 0.10 . 1 . 401 . . 37 ASP C . 25213 1 460 . 1 1 37 37 ASP CA C 13 58.660 0.10 . 1 . 399 . . 37 ASP CA . 25213 1 461 . 1 1 37 37 ASP CB C 13 43.300 0.10 . 1 . 402 . . 37 ASP CB . 25213 1 462 . 1 1 37 37 ASP N N 15 118.980 0.10 . 1 . 397 . . 37 ASP N . 25213 1 463 . 1 1 38 38 ASP H H 1 8.495 0.01 . 1 . 406 . . 38 ASP H . 25213 1 464 . 1 1 38 38 ASP HA H 1 4.319 0.01 . 1 . 408 . . 38 ASP HA . 25213 1 465 . 1 1 38 38 ASP HB2 H 1 2.684 0.01 . 1 . 411 . . 38 ASP HB2 . 25213 1 466 . 1 1 38 38 ASP HB3 H 1 3.224 0.01 . 1 . 412 . . 38 ASP HB3 . 25213 1 467 . 1 1 38 38 ASP C C 13 179.410 0.10 . 1 . 409 . . 38 ASP C . 25213 1 468 . 1 1 38 38 ASP CA C 13 57.600 0.10 . 1 . 407 . . 38 ASP CA . 25213 1 469 . 1 1 38 38 ASP CB C 13 40.290 0.10 . 1 . 410 . . 38 ASP CB . 25213 1 470 . 1 1 38 38 ASP N N 15 119.710 0.10 . 1 . 405 . . 38 ASP N . 25213 1 471 . 1 1 39 39 GLU H H 1 8.032 0.01 . 1 . 414 . . 39 GLU H . 25213 1 472 . 1 1 39 39 GLU HA H 1 4.053 0.01 . 1 . 416 . . 39 GLU HA . 25213 1 473 . 1 1 39 39 GLU HB2 H 1 2.097 0.01 . 1 . 419 . . 39 GLU HB2 . 25213 1 474 . 1 1 39 39 GLU HB3 H 1 2.200 0.01 . 1 . 420 . . 39 GLU HB3 . 25213 1 475 . 1 1 39 39 GLU HG2 H 1 2.258 0.01 . 2 . 421 . . 39 GLU HG2 . 25213 1 476 . 1 1 39 39 GLU HG3 H 1 2.525 0.01 . 2 . 422 . . 39 GLU HG3 . 25213 1 477 . 1 1 39 39 GLU C C 13 179.220 0.10 . 1 . 417 . . 39 GLU C . 25213 1 478 . 1 1 39 39 GLU CA C 13 59.150 0.10 . 1 . 415 . . 39 GLU CA . 25213 1 479 . 1 1 39 39 GLU CB C 13 30.380 0.10 . 1 . 418 . . 39 GLU CB . 25213 1 480 . 1 1 39 39 GLU N N 15 119.210 0.10 . 1 . 413 . . 39 GLU N . 25213 1 481 . 1 1 40 40 GLU H H 1 8.120 0.01 . 1 . 424 . . 40 GLU H . 25213 1 482 . 1 1 40 40 GLU HA H 1 4.184 0.01 . 1 . 426 . . 40 GLU HA . 25213 1 483 . 1 1 40 40 GLU HB2 H 1 2.084 0.01 . 1 . 429 . . 40 GLU HB2 . 25213 1 484 . 1 1 40 40 GLU HB3 H 1 2.084 0.01 . 1 . 430 . . 40 GLU HB3 . 25213 1 485 . 1 1 40 40 GLU HG2 H 1 2.275 0.01 . 2 . 431 . . 40 GLU HG2 . 25213 1 486 . 1 1 40 40 GLU HG3 H 1 2.474 0.01 . 2 . 432 . . 40 GLU HG3 . 25213 1 487 . 1 1 40 40 GLU C C 13 178.440 0.10 . 1 . 427 . . 40 GLU C . 25213 1 488 . 1 1 40 40 GLU CA C 13 58.350 0.10 . 1 . 425 . . 40 GLU CA . 25213 1 489 . 1 1 40 40 GLU CB C 13 30.530 0.10 . 1 . 428 . . 40 GLU CB . 25213 1 490 . 1 1 40 40 GLU N N 15 119.010 0.10 . 1 . 423 . . 40 GLU N . 25213 1 491 . 1 1 41 41 SER H H 1 8.129 0.01 . 1 . 434 . . 41 SER H . 25213 1 492 . 1 1 41 41 SER HA H 1 4.393 0.01 . 1 . 436 . . 41 SER HA . 25213 1 493 . 1 1 41 41 SER HB2 H 1 3.926 0.01 . 2 . 439 . . 41 SER HB2 . 25213 1 494 . 1 1 41 41 SER HB3 H 1 3.946 0.01 . 2 . 440 . . 41 SER HB3 . 25213 1 495 . 1 1 41 41 SER C C 13 175.700 0.10 . 1 . 437 . . 41 SER C . 25213 1 496 . 1 1 41 41 SER CA C 13 59.850 0.10 . 1 . 435 . . 41 SER CA . 25213 1 497 . 1 1 41 41 SER CB C 13 64.160 0.10 . 1 . 438 . . 41 SER CB . 25213 1 498 . 1 1 41 41 SER N N 15 115.170 0.10 . 1 . 433 . . 41 SER N . 25213 1 499 . 1 1 42 42 LYS H H 1 7.980 0.01 . 1 . 442 . . 42 LYS H . 25213 1 500 . 1 1 42 42 LYS HA H 1 4.299 0.01 . 1 . 444 . . 42 LYS HA . 25213 1 501 . 1 1 42 42 LYS HB2 H 1 1.885 0.01 . 2 . 447 . . 42 LYS HB2 . 25213 1 502 . 1 1 42 42 LYS HB3 H 1 1.820 0.01 . 2 . 448 . . 42 LYS HB3 . 25213 1 503 . 1 1 42 42 LYS HG2 H 1 1.481 0.01 . 2 . 449 . . 42 LYS HG2 . 25213 1 504 . 1 1 42 42 LYS HG3 H 1 1.432 0.01 . 2 . 450 . . 42 LYS HG3 . 25213 1 505 . 1 1 42 42 LYS HD2 H 1 1.653 0.01 . 1 . 451 . . 42 LYS HD2 . 25213 1 506 . 1 1 42 42 LYS HD3 H 1 1.653 0.01 . 1 . 452 . . 42 LYS HD3 . 25213 1 507 . 1 1 42 42 LYS HE2 H 1 2.962 0.01 . 1 . 453 . . 42 LYS HE2 . 25213 1 508 . 1 1 42 42 LYS HE3 H 1 2.962 0.01 . 1 . 454 . . 42 LYS HE3 . 25213 1 509 . 1 1 42 42 LYS C C 13 177.900 0.10 . 1 . 445 . . 42 LYS C . 25213 1 510 . 1 1 42 42 LYS CA C 13 57.400 0.10 . 1 . 443 . . 42 LYS CA . 25213 1 511 . 1 1 42 42 LYS CB C 13 33.230 0.10 . 1 . 446 . . 42 LYS CB . 25213 1 512 . 1 1 42 42 LYS N N 15 122.220 0.10 . 1 . 441 . . 42 LYS N . 25213 1 513 . 1 1 43 43 GLY H H 1 8.242 0.01 . 1 . 456 . . 43 GLY H . 25213 1 514 . 1 1 43 43 GLY HA2 H 1 3.922 0.01 . 2 . 458 . . 43 GLY HA2 . 25213 1 515 . 1 1 43 43 GLY HA3 H 1 3.950 0.01 . 2 . 459 . . 43 GLY HA3 . 25213 1 516 . 1 1 43 43 GLY C C 13 174.940 0.10 . 1 . 460 . . 43 GLY C . 25213 1 517 . 1 1 43 43 GLY CA C 13 45.990 0.10 . 1 . 457 . . 43 GLY CA . 25213 1 518 . 1 1 43 43 GLY N N 15 108.750 0.10 . 1 . 455 . . 43 GLY N . 25213 1 519 . 1 1 44 44 GLU H H 1 8.286 0.01 . 1 . 462 . . 44 GLU H . 25213 1 520 . 1 1 44 44 GLU HA H 1 4.301 0.01 . 1 . 464 . . 44 GLU HA . 25213 1 521 . 1 1 44 44 GLU HB2 H 1 1.894 0.01 . 2 . 467 . . 44 GLU HB2 . 25213 1 522 . 1 1 44 44 GLU HB3 H 1 2.044 0.01 . 2 . 468 . . 44 GLU HB3 . 25213 1 523 . 1 1 44 44 GLU HG2 H 1 2.215 0.01 . 2 . 469 . . 44 GLU HG2 . 25213 1 524 . 1 1 44 44 GLU HG3 H 1 2.245 0.01 . 2 . 470 . . 44 GLU HG3 . 25213 1 525 . 1 1 44 44 GLU C C 13 177.230 0.10 . 1 . 465 . . 44 GLU C . 25213 1 526 . 1 1 44 44 GLU CA C 13 57.020 0.10 . 1 . 463 . . 44 GLU CA . 25213 1 527 . 1 1 44 44 GLU CB C 13 30.800 0.10 . 1 . 466 . . 44 GLU CB . 25213 1 528 . 1 1 44 44 GLU N N 15 120.390 0.10 . 1 . 461 . . 44 GLU N . 25213 1 529 . 1 1 45 45 SER H H 1 8.330 0.01 . 1 . 472 . . 45 SER H . 25213 1 530 . 1 1 45 45 SER HA H 1 4.408 0.01 . 1 . 474 . . 45 SER HA . 25213 1 531 . 1 1 45 45 SER HB2 H 1 3.820 0.01 . 1 . 477 . . 45 SER HB2 . 25213 1 532 . 1 1 45 45 SER HB3 H 1 3.820 0.01 . 1 . 478 . . 45 SER HB3 . 25213 1 533 . 1 1 45 45 SER C C 13 174.960 0.10 . 1 . 475 . . 45 SER C . 25213 1 534 . 1 1 45 45 SER CA C 13 59.090 0.10 . 1 . 473 . . 45 SER CA . 25213 1 535 . 1 1 45 45 SER CB C 13 64.440 0.10 . 1 . 476 . . 45 SER CB . 25213 1 536 . 1 1 45 45 SER N N 15 116.340 0.10 . 1 . 471 . . 45 SER N . 25213 1 537 . 1 1 46 46 GLU H H 1 8.409 0.01 . 1 . 480 . . 46 GLU H . 25213 1 538 . 1 1 46 46 GLU HA H 1 4.287 0.01 . 1 . 482 . . 46 GLU HA . 25213 1 539 . 1 1 46 46 GLU HB2 H 1 1.894 0.01 . 2 . 485 . . 46 GLU HB2 . 25213 1 540 . 1 1 46 46 GLU HB3 H 1 2.000 0.01 . 2 . 486 . . 46 GLU HB3 . 25213 1 541 . 1 1 46 46 GLU HG2 H 1 2.180 0.01 . 2 . 487 . . 46 GLU HG2 . 25213 1 542 . 1 1 46 46 GLU HG3 H 1 2.229 0.01 . 2 . 488 . . 46 GLU HG3 . 25213 1 543 . 1 1 46 46 GLU C C 13 176.630 0.10 . 1 . 483 . . 46 GLU C . 25213 1 544 . 1 1 46 46 GLU CA C 13 57.020 0.10 . 1 . 481 . . 46 GLU CA . 25213 1 545 . 1 1 46 46 GLU CB C 13 30.810 0.10 . 1 . 484 . . 46 GLU CB . 25213 1 546 . 1 1 46 46 GLU N N 15 122.780 0.10 . 1 . 479 . . 46 GLU N . 25213 1 547 . 1 1 47 47 VAL H H 1 8.160 0.01 . 1 . 490 . . 47 VAL H . 25213 1 548 . 1 1 47 47 VAL HA H 1 4.093 0.01 . 1 . 492 . . 47 VAL HA . 25213 1 549 . 1 1 47 47 VAL HB H 1 2.005 0.01 . 1 . 495 . . 47 VAL HB . 25213 1 550 . 1 1 47 47 VAL HG11 H 1 0.872 0.01 . 2 . 497 . . 47 VAL HG11 . 25213 1 551 . 1 1 47 47 VAL HG12 H 1 0.872 0.01 . 2 . 497 . . 47 VAL HG12 . 25213 1 552 . 1 1 47 47 VAL HG13 H 1 0.872 0.01 . 2 . 497 . . 47 VAL HG13 . 25213 1 553 . 1 1 47 47 VAL HG21 H 1 0.880 0.01 . 2 . 499 . . 47 VAL HG21 . 25213 1 554 . 1 1 47 47 VAL HG22 H 1 0.880 0.01 . 2 . 499 . . 47 VAL HG22 . 25213 1 555 . 1 1 47 47 VAL HG23 H 1 0.880 0.01 . 2 . 499 . . 47 VAL HG23 . 25213 1 556 . 1 1 47 47 VAL C C 13 176.660 0.10 . 1 . 493 . . 47 VAL C . 25213 1 557 . 1 1 47 47 VAL CA C 13 62.530 0.10 . 1 . 491 . . 47 VAL CA . 25213 1 558 . 1 1 47 47 VAL CB C 13 33.290 0.10 . 1 . 494 . . 47 VAL CB . 25213 1 559 . 1 1 47 47 VAL CG1 C 13 19.190 0.10 . 2 . 496 . . 47 VAL CG1 . 25213 1 560 . 1 1 47 47 VAL CG2 C 13 18.560 0.10 . 2 . 498 . . 47 VAL CG2 . 25213 1 561 . 1 1 47 47 VAL N N 15 121.160 0.10 . 1 . 489 . . 47 VAL N . 25213 1 562 . 1 1 48 48 SER H H 1 8.444 0.01 . 1 . 501 . . 48 SER H . 25213 1 563 . 1 1 48 48 SER HA H 1 4.720 0.01 . 1 . 503 . . 48 SER HA . 25213 1 564 . 1 1 48 48 SER HB2 H 1 3.751 0.01 . 2 . 505 . . 48 SER HB2 . 25213 1 565 . 1 1 48 48 SER HB3 H 1 3.842 0.01 . 2 . 506 . . 48 SER HB3 . 25213 1 566 . 1 1 48 48 SER CA C 13 56.920 0.10 . 1 . 502 . . 48 SER CA . 25213 1 567 . 1 1 48 48 SER CB C 13 63.860 0.10 . 1 . 504 . . 48 SER CB . 25213 1 568 . 1 1 48 48 SER N N 15 121.350 0.10 . 1 . 500 . . 48 SER N . 25213 1 569 . 1 1 49 49 PRO HA H 1 4.394 0.01 . 1 . 508 . . 49 PRO HA . 25213 1 570 . 1 1 49 49 PRO HB2 H 1 1.933 0.01 . 2 . 511 . . 49 PRO HB2 . 25213 1 571 . 1 1 49 49 PRO HB3 H 1 2.241 0.01 . 2 . 512 . . 49 PRO HB3 . 25213 1 572 . 1 1 49 49 PRO HG2 H 1 1.970 0.01 . 1 . 513 . . 49 PRO HG2 . 25213 1 573 . 1 1 49 49 PRO HG3 H 1 1.970 0.01 . 1 . 514 . . 49 PRO HG3 . 25213 1 574 . 1 1 49 49 PRO HD2 H 1 3.689 0.01 . 2 . 515 . . 49 PRO HD2 . 25213 1 575 . 1 1 49 49 PRO HD3 H 1 3.790 0.01 . 2 . 516 . . 49 PRO HD3 . 25213 1 576 . 1 1 49 49 PRO C C 13 176.720 0.10 . 1 . 509 . . 49 PRO C . 25213 1 577 . 1 1 49 49 PRO CA C 13 64.010 0.10 . 1 . 507 . . 49 PRO CA . 25213 1 578 . 1 1 49 49 PRO CB C 13 32.600 0.10 . 1 . 510 . . 49 PRO CB . 25213 1 579 . 1 1 50 50 GLN H H 1 7.970 0.01 . 1 . 518 . . 50 GLN H . 25213 1 580 . 1 1 50 50 GLN HA H 1 4.090 0.01 . 1 . 520 . . 50 GLN HA . 25213 1 581 . 1 1 50 50 GLN HB2 H 1 1.849 0.01 . 2 . 522 . . 50 GLN HB2 . 25213 1 582 . 1 1 50 50 GLN HB3 H 1 2.061 0.01 . 2 . 523 . . 50 GLN HB3 . 25213 1 583 . 1 1 50 50 GLN HG2 H 1 2.271 0.01 . 1 . 524 . . 50 GLN HG2 . 25213 1 584 . 1 1 50 50 GLN HG3 H 1 2.271 0.01 . 1 . 525 . . 50 GLN HG3 . 25213 1 585 . 1 1 50 50 GLN HE21 H 1 6.784 0.01 . 1 . 526 . . 50 GLN HE21 . 25213 1 586 . 1 1 50 50 GLN HE22 H 1 7.514 0.01 . 1 . 527 . . 50 GLN HE22 . 25213 1 587 . 1 1 50 50 GLN CA C 13 57.870 0.10 . 1 . 519 . . 50 GLN CA . 25213 1 588 . 1 1 50 50 GLN CB C 13 31.120 0.10 . 1 . 521 . . 50 GLN CB . 25213 1 589 . 1 1 50 50 GLN N N 15 125.340 0.10 . 1 . 517 . . 50 GLN N . 25213 1 stop_ save_