data_34669 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34669 _Entry.Title ; Solution structure of the NRDI domain of Nab3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-21 _Entry.Accession_date 2021-09-21 _Entry.Last_release_date 2021-10-15 _Entry.Original_release_date 2021-10-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 B. Chaves-Arquero B. . . . 34669 2 S. Martinez-Lumbreras S. . . . 34669 3 J. Perez-Canadillas J. M. . . 34669 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NNS pathway' . 34669 Nab3 . 34669 TRANSCRIPTION . 34669 'Transcription termination' . 34669 'heterodimerization domain' . 34669 yeast . 34669 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34669 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 217 34669 '15N chemical shifts' 52 34669 '1H chemical shifts' 342 34669 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 2 . . 2022-06-09 2021-09-21 update BMRB 'update entry citation' 34669 1 . . 2022-01-07 2021-09-21 original author 'original release' 34669 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7PRE 'BMRB Entry Tracking System' 34669 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34669 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35022249 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of Nrd1-Nab3 heterodimerization ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Life Sci. Alliance' _Citation.Journal_name_full 'Life science alliance' _Citation.Journal_volume 5 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2575-1077 _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 e202101252 _Citation.Page_last e202101252 _Citation.Year 2022 _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 B. Chaves-Arquero B. . . . 34669 1 2 S. Martinez-Lumbreras S. . . . 34669 1 3 S. Camero S. . . . 34669 1 4 C. Santiveri C. M. . . 34669 1 5 Y. Mirassou Y. . . . 34669 1 6 R. Campos-Olivas R. . . . 34669 1 7 M. Jimenez M. A. . . 34669 1 8 O. Calvo O. . . . 34669 1 9 J. Perez-Canadillas J. M. . . 34669 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34669 _Assembly.ID 1 _Assembly.Name HLJ1_G0022400.mRNA.1.CDS.1 _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 unit_1 1 $entity_1 A A yes . . . . . . 34669 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34669 _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 ; GSWGSMENVNYDLLQKQVKY IMDSNMLNLPQFQHLPQEEK MSAILAMLNSNSD ; _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 53 _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 6106.913 _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 1 198 GLY . 34669 1 2 199 SER . 34669 1 3 200 TRP . 34669 1 4 201 GLY . 34669 1 5 202 SER . 34669 1 6 203 MET . 34669 1 7 204 GLU . 34669 1 8 205 ASN . 34669 1 9 206 VAL . 34669 1 10 207 ASN . 34669 1 11 208 TYR . 34669 1 12 209 ASP . 34669 1 13 210 LEU . 34669 1 14 211 LEU . 34669 1 15 212 GLN . 34669 1 16 213 LYS . 34669 1 17 214 GLN . 34669 1 18 215 VAL . 34669 1 19 216 LYS . 34669 1 20 217 TYR . 34669 1 21 218 ILE . 34669 1 22 219 MET . 34669 1 23 220 ASP . 34669 1 24 221 SER . 34669 1 25 222 ASN . 34669 1 26 223 MET . 34669 1 27 224 LEU . 34669 1 28 225 ASN . 34669 1 29 226 LEU . 34669 1 30 227 PRO . 34669 1 31 228 GLN . 34669 1 32 229 PHE . 34669 1 33 230 GLN . 34669 1 34 231 HIS . 34669 1 35 232 LEU . 34669 1 36 233 PRO . 34669 1 37 234 GLN . 34669 1 38 235 GLU . 34669 1 39 236 GLU . 34669 1 40 237 LYS . 34669 1 41 238 MET . 34669 1 42 239 SER . 34669 1 43 240 ALA . 34669 1 44 241 ILE . 34669 1 45 242 LEU . 34669 1 46 243 ALA . 34669 1 47 244 MET . 34669 1 48 245 LEU . 34669 1 49 246 ASN . 34669 1 50 247 SER . 34669 1 51 248 ASN . 34669 1 52 249 SER . 34669 1 53 250 ASP . 34669 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34669 1 . SER 2 2 34669 1 . TRP 3 3 34669 1 . GLY 4 4 34669 1 . SER 5 5 34669 1 . MET 6 6 34669 1 . GLU 7 7 34669 1 . ASN 8 8 34669 1 . VAL 9 9 34669 1 . ASN 10 10 34669 1 . TYR 11 11 34669 1 . ASP 12 12 34669 1 . LEU 13 13 34669 1 . LEU 14 14 34669 1 . GLN 15 15 34669 1 . LYS 16 16 34669 1 . GLN 17 17 34669 1 . VAL 18 18 34669 1 . LYS 19 19 34669 1 . TYR 20 20 34669 1 . ILE 21 21 34669 1 . MET 22 22 34669 1 . ASP 23 23 34669 1 . SER 24 24 34669 1 . ASN 25 25 34669 1 . MET 26 26 34669 1 . LEU 27 27 34669 1 . ASN 28 28 34669 1 . LEU 29 29 34669 1 . PRO 30 30 34669 1 . GLN 31 31 34669 1 . PHE 32 32 34669 1 . GLN 33 33 34669 1 . HIS 34 34 34669 1 . LEU 35 35 34669 1 . PRO 36 36 34669 1 . GLN 37 37 34669 1 . GLU 38 38 34669 1 . GLU 39 39 34669 1 . LYS 40 40 34669 1 . MET 41 41 34669 1 . SER 42 42 34669 1 . ALA 43 43 34669 1 . ILE 44 44 34669 1 . LEU 45 45 34669 1 . ALA 46 46 34669 1 . MET 47 47 34669 1 . LEU 48 48 34669 1 . ASN 49 49 34669 1 . SER 50 50 34669 1 . ASN 51 51 34669 1 . SER 52 52 34669 1 . ASP 53 53 34669 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 34669 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . PACBIOSEQ_LOCUS5883 . 34669 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 34669 _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 . . . . . . . . . . . . 34669 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34669 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 480 uM [U-100% 13C; U-100% 15N] Nab3, 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 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 1 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 34669 1 4 Nab3 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 480 . . uM . . . . 34669 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34669 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 480 uM Nab3, 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 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 2 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 34669 2 4 Nab3 'natural abundance' . . 1 $entity_1 . . 480 . . uM . . . . 34669 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34669 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 480 uM Nab3, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 3 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 3 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 34669 3 4 Nab3 'natural abundance' . . 1 $entity_1 . . 480 . . uM . . . . 34669 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34669 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '25 mM potassium phosphate, 25 mM sodium chloride, 1 mM DTT, 480 uM [U-100% 13C; U-100% 15N] Nab3, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 4 2 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 34669 4 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 34669 4 4 Nab3 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 480 . . uM . . . . 34669 4 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 34669 _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' 53.5 . mM 34669 1 pH 6.6 . pH 34669 1 pressure 1 . atm 34669 1 temperature 308 . K 34669 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34669 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34669 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34669 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34669 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34669 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34669 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34669 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34669 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34669 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34669 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34669 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34669 4 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 34669 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 34669 _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 . . . 34669 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 34669 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 8 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34669 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 34669 _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 protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34669 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34669 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34669 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 34669 _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 1H-15N HSQC' . . . 34669 1 2 '2D 1H-13C HSQC' . . . 34669 1 3 '3D HNCA' . . . 34669 1 4 '3D HNCO' . . . 34669 1 5 '3D CBCA(CO)NH' . . . 34669 1 6 '3D HNCACB' . . . 34669 1 7 '3D HCCH-TOCSY' . . . 34669 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 34669 1 2 $software_2 . . 34669 1 3 $software_3 . . 34669 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 6 6 MET H H 1 8.297 0.002 . 1 . . . . A 203 MET H . 34669 1 2 . 1 . 1 6 6 MET HA H 1 4.453 0.003 . 1 . . . . A 203 MET HA . 34669 1 3 . 1 . 1 6 6 MET HB2 H 1 2.102 0.004 . 2 . . . . A 203 MET HB2 . 34669 1 4 . 1 . 1 6 6 MET HB3 H 1 1.961 0.006 . 2 . . . . A 203 MET HB3 . 34669 1 5 . 1 . 1 6 6 MET HG2 H 1 2.568 0.004 . 2 . . . . A 203 MET HG2 . 34669 1 6 . 1 . 1 6 6 MET HG3 H 1 2.480 0.004 . 2 . . . . A 203 MET HG3 . 34669 1 7 . 1 . 1 6 6 MET HE1 H 1 2.020 0.000 . 1 . . . . A 203 MET HE1 . 34669 1 8 . 1 . 1 6 6 MET HE2 H 1 2.020 0.000 . 1 . . . . A 203 MET HE2 . 34669 1 9 . 1 . 1 6 6 MET HE3 H 1 2.020 0.000 . 1 . . . . A 203 MET HE3 . 34669 1 10 . 1 . 1 6 6 MET C C 13 176.116 0.000 . 1 . . . . A 203 MET C . 34669 1 11 . 1 . 1 6 6 MET CA C 13 55.816 0.179 . 1 . . . . A 203 MET CA . 34669 1 12 . 1 . 1 6 6 MET CB C 13 32.960 0.179 . 1 . . . . A 203 MET CB . 34669 1 13 . 1 . 1 6 6 MET CG C 13 32.304 0.109 . 1 . . . . A 203 MET CG . 34669 1 14 . 1 . 1 6 6 MET CE C 13 16.702 0.000 . 1 . . . . A 203 MET CE . 34669 1 15 . 1 . 1 6 6 MET N N 15 120.451 0.011 . 1 . . . . A 203 MET N . 34669 1 16 . 1 . 1 7 7 GLU H H 1 8.374 0.002 . 1 . . . . A 204 GLU H . 34669 1 17 . 1 . 1 7 7 GLU HA H 1 4.215 0.005 . 1 . . . . A 204 GLU HA . 34669 1 18 . 1 . 1 7 7 GLU HB2 H 1 2.033 0.005 . 2 . . . . A 204 GLU HB2 . 34669 1 19 . 1 . 1 7 7 GLU HB3 H 1 1.964 0.004 . 2 . . . . A 204 GLU HB3 . 34669 1 20 . 1 . 1 7 7 GLU HG2 H 1 2.256 0.001 . 2 . . . . A 204 GLU HG2 . 34669 1 21 . 1 . 1 7 7 GLU C C 13 176.264 0.000 . 1 . . . . A 204 GLU C . 34669 1 22 . 1 . 1 7 7 GLU CA C 13 57.235 0.157 . 1 . . . . A 204 GLU CA . 34669 1 23 . 1 . 1 7 7 GLU CB C 13 30.187 0.177 . 1 . . . . A 204 GLU CB . 34669 1 24 . 1 . 1 7 7 GLU CG C 13 36.354 0.000 . 1 . . . . A 204 GLU CG . 34669 1 25 . 1 . 1 7 7 GLU N N 15 120.960 0.015 . 1 . . . . A 204 GLU N . 34669 1 26 . 1 . 1 8 8 ASN H H 1 8.333 0.002 . 1 . . . . A 205 ASN H . 34669 1 27 . 1 . 1 8 8 ASN C C 13 174.896 0.000 . 1 . . . . A 205 ASN C . 34669 1 28 . 1 . 1 8 8 ASN CA C 13 53.331 0.045 . 1 . . . . A 205 ASN CA . 34669 1 29 . 1 . 1 8 8 ASN CB C 13 38.538 0.000 . 1 . . . . A 205 ASN CB . 34669 1 30 . 1 . 1 8 8 ASN N N 15 118.378 0.032 . 1 . . . . A 205 ASN N . 34669 1 31 . 1 . 1 9 9 VAL H H 1 7.834 0.003 . 1 . . . . A 206 VAL H . 34669 1 32 . 1 . 1 9 9 VAL HA H 1 3.982 0.002 . 1 . . . . A 206 VAL HA . 34669 1 33 . 1 . 1 9 9 VAL HB H 1 1.945 0.003 . 1 . . . . A 206 VAL HB . 34669 1 34 . 1 . 1 9 9 VAL HG11 H 1 0.853 0.003 . 2 . . . . A 206 VAL HG11 . 34669 1 35 . 1 . 1 9 9 VAL HG12 H 1 0.853 0.003 . 2 . . . . A 206 VAL HG12 . 34669 1 36 . 1 . 1 9 9 VAL HG13 H 1 0.853 0.003 . 2 . . . . A 206 VAL HG13 . 34669 1 37 . 1 . 1 9 9 VAL HG21 H 1 0.727 0.002 . 2 . . . . A 206 VAL HG21 . 34669 1 38 . 1 . 1 9 9 VAL HG22 H 1 0.727 0.002 . 2 . . . . A 206 VAL HG22 . 34669 1 39 . 1 . 1 9 9 VAL HG23 H 1 0.727 0.002 . 2 . . . . A 206 VAL HG23 . 34669 1 40 . 1 . 1 9 9 VAL C C 13 175.277 0.000 . 1 . . . . A 206 VAL C . 34669 1 41 . 1 . 1 9 9 VAL CA C 13 62.707 0.179 . 1 . . . . A 206 VAL CA . 34669 1 42 . 1 . 1 9 9 VAL CB C 13 33.066 0.136 . 1 . . . . A 206 VAL CB . 34669 1 43 . 1 . 1 9 9 VAL CG1 C 13 21.218 0.129 . 1 . . . . A 206 VAL CG1 . 34669 1 44 . 1 . 1 9 9 VAL CG2 C 13 21.218 0.129 . 1 . . . . A 206 VAL CG2 . 34669 1 45 . 1 . 1 9 9 VAL N N 15 119.959 0.017 . 1 . . . . A 206 VAL N . 34669 1 46 . 1 . 1 10 10 ASN H H 1 8.297 0.004 . 1 . . . . A 207 ASN H . 34669 1 47 . 1 . 1 10 10 ASN HA H 1 4.711 0.005 . 1 . . . . A 207 ASN HA . 34669 1 48 . 1 . 1 10 10 ASN HB2 H 1 2.870 0.001 . 2 . . . . A 207 ASN HB2 . 34669 1 49 . 1 . 1 10 10 ASN HB3 H 1 2.774 0.003 . 2 . . . . A 207 ASN HB3 . 34669 1 50 . 1 . 1 10 10 ASN HD21 H 1 7.638 0.000 . 1 . . . . A 207 ASN HD21 . 34669 1 51 . 1 . 1 10 10 ASN HD22 H 1 6.968 0.000 . 1 . . . . A 207 ASN HD22 . 34669 1 52 . 1 . 1 10 10 ASN C C 13 175.405 0.000 . 1 . . . . A 207 ASN C . 34669 1 53 . 1 . 1 10 10 ASN CA C 13 52.915 0.178 . 1 . . . . A 207 ASN CA . 34669 1 54 . 1 . 1 10 10 ASN CB C 13 38.507 0.062 . 1 . . . . A 207 ASN CB . 34669 1 55 . 1 . 1 10 10 ASN N N 15 122.120 0.046 . 1 . . . . A 207 ASN N . 34669 1 56 . 1 . 1 10 10 ASN ND2 N 15 112.509 0.007 . 1 . . . . A 207 ASN ND2 . 34669 1 57 . 1 . 1 11 11 TYR H H 1 8.293 0.002 . 1 . . . . A 208 TYR H . 34669 1 58 . 1 . 1 11 11 TYR HA H 1 4.221 0.001 . 1 . . . . A 208 TYR HA . 34669 1 59 . 1 . 1 11 11 TYR HB2 H 1 3.062 0.002 . 2 . . . . A 208 TYR HB2 . 34669 1 60 . 1 . 1 11 11 TYR HB3 H 1 3.022 0.013 . 2 . . . . A 208 TYR HB3 . 34669 1 61 . 1 . 1 11 11 TYR HD1 H 1 7.110 0.001 . 3 . . . . A 208 TYR HD1 . 34669 1 62 . 1 . 1 11 11 TYR HD2 H 1 7.110 0.001 . 3 . . . . A 208 TYR HD2 . 34669 1 63 . 1 . 1 11 11 TYR HE1 H 1 6.782 0.001 . 3 . . . . A 208 TYR HE1 . 34669 1 64 . 1 . 1 11 11 TYR HE2 H 1 6.782 0.001 . 3 . . . . A 208 TYR HE2 . 34669 1 65 . 1 . 1 11 11 TYR C C 13 176.498 0.000 . 1 . . . . A 208 TYR C . 34669 1 66 . 1 . 1 11 11 TYR CA C 13 60.731 0.196 . 1 . . . . A 208 TYR CA . 34669 1 67 . 1 . 1 11 11 TYR CB C 13 38.535 0.192 . 1 . . . . A 208 TYR CB . 34669 1 68 . 1 . 1 11 11 TYR CD1 C 13 133.053 0.000 . 1 . . . . A 208 TYR CD1 . 34669 1 69 . 1 . 1 11 11 TYR CD2 C 13 133.053 0.000 . 1 . . . . A 208 TYR CD2 . 34669 1 70 . 1 . 1 11 11 TYR CE1 C 13 118.302 0.000 . 1 . . . . A 208 TYR CE1 . 34669 1 71 . 1 . 1 11 11 TYR CE2 C 13 118.302 0.000 . 1 . . . . A 208 TYR CE2 . 34669 1 72 . 1 . 1 11 11 TYR N N 15 123.062 0.024 . 1 . . . . A 208 TYR N . 34669 1 73 . 1 . 1 12 12 ASP H H 1 8.231 0.002 . 1 . . . . A 209 ASP H . 34669 1 74 . 1 . 1 12 12 ASP HA H 1 4.392 0.002 . 1 . . . . A 209 ASP HA . 34669 1 75 . 1 . 1 12 12 ASP HB2 H 1 2.726 0.005 . 2 . . . . A 209 ASP HB2 . 34669 1 76 . 1 . 1 12 12 ASP HB3 H 1 2.677 0.003 . 2 . . . . A 209 ASP HB3 . 34669 1 77 . 1 . 1 12 12 ASP C C 13 177.867 0.000 . 1 . . . . A 209 ASP C . 34669 1 78 . 1 . 1 12 12 ASP CA C 13 56.830 0.192 . 1 . . . . A 209 ASP CA . 34669 1 79 . 1 . 1 12 12 ASP CB C 13 40.906 0.129 . 1 . . . . A 209 ASP CB . 34669 1 80 . 1 . 1 12 12 ASP N N 15 119.928 0.037 . 1 . . . . A 209 ASP N . 34669 1 81 . 1 . 1 13 13 LEU H H 1 7.728 0.002 . 1 . . . . A 210 LEU H . 34669 1 82 . 1 . 1 13 13 LEU HA H 1 4.108 0.004 . 1 . . . . A 210 LEU HA . 34669 1 83 . 1 . 1 13 13 LEU HB2 H 1 1.670 0.002 . 2 . . . . A 210 LEU HB2 . 34669 1 84 . 1 . 1 13 13 LEU HB3 H 1 1.631 0.002 . 2 . . . . A 210 LEU HB3 . 34669 1 85 . 1 . 1 13 13 LEU HG H 1 1.557 0.004 . 1 . . . . A 210 LEU HG . 34669 1 86 . 1 . 1 13 13 LEU HD11 H 1 0.931 0.004 . 2 . . . . A 210 LEU HD11 . 34669 1 87 . 1 . 1 13 13 LEU HD12 H 1 0.931 0.004 . 2 . . . . A 210 LEU HD12 . 34669 1 88 . 1 . 1 13 13 LEU HD13 H 1 0.931 0.004 . 2 . . . . A 210 LEU HD13 . 34669 1 89 . 1 . 1 13 13 LEU HD21 H 1 0.884 0.005 . 2 . . . . A 210 LEU HD21 . 34669 1 90 . 1 . 1 13 13 LEU HD22 H 1 0.884 0.005 . 2 . . . . A 210 LEU HD22 . 34669 1 91 . 1 . 1 13 13 LEU HD23 H 1 0.884 0.005 . 2 . . . . A 210 LEU HD23 . 34669 1 92 . 1 . 1 13 13 LEU C C 13 178.480 0.000 . 1 . . . . A 210 LEU C . 34669 1 93 . 1 . 1 13 13 LEU CA C 13 57.397 0.206 . 1 . . . . A 210 LEU CA . 34669 1 94 . 1 . 1 13 13 LEU CB C 13 41.925 0.194 . 1 . . . . A 210 LEU CB . 34669 1 95 . 1 . 1 13 13 LEU CG C 13 27.161 0.163 . 1 . . . . A 210 LEU CG . 34669 1 96 . 1 . 1 13 13 LEU CD1 C 13 24.270 0.164 . 1 . . . . A 210 LEU CD1 . 34669 1 97 . 1 . 1 13 13 LEU CD2 C 13 24.665 0.049 . 1 . . . . A 210 LEU CD2 . 34669 1 98 . 1 . 1 13 13 LEU N N 15 120.737 0.006 . 1 . . . . A 210 LEU N . 34669 1 99 . 1 . 1 14 14 LEU H H 1 7.909 0.001 . 1 . . . . A 211 LEU H . 34669 1 100 . 1 . 1 14 14 LEU HA H 1 4.175 0.002 . 1 . . . . A 211 LEU HA . 34669 1 101 . 1 . 1 14 14 LEU HB2 H 1 1.675 0.001 . 2 . . . . A 211 LEU HB2 . 34669 1 102 . 1 . 1 14 14 LEU HB3 H 1 1.622 0.001 . 2 . . . . A 211 LEU HB3 . 34669 1 103 . 1 . 1 14 14 LEU HG H 1 1.595 0.002 . 1 . . . . A 211 LEU HG . 34669 1 104 . 1 . 1 14 14 LEU HD11 H 1 0.867 0.007 . 2 . . . . A 211 LEU HD11 . 34669 1 105 . 1 . 1 14 14 LEU HD12 H 1 0.867 0.007 . 2 . . . . A 211 LEU HD12 . 34669 1 106 . 1 . 1 14 14 LEU HD13 H 1 0.867 0.007 . 2 . . . . A 211 LEU HD13 . 34669 1 107 . 1 . 1 14 14 LEU HD21 H 1 0.845 0.001 . 2 . . . . A 211 LEU HD21 . 34669 1 108 . 1 . 1 14 14 LEU HD22 H 1 0.845 0.001 . 2 . . . . A 211 LEU HD22 . 34669 1 109 . 1 . 1 14 14 LEU HD23 H 1 0.845 0.001 . 2 . . . . A 211 LEU HD23 . 34669 1 110 . 1 . 1 14 14 LEU C C 13 178.498 0.000 . 1 . . . . A 211 LEU C . 34669 1 111 . 1 . 1 14 14 LEU CA C 13 57.486 0.104 . 1 . . . . A 211 LEU CA . 34669 1 112 . 1 . 1 14 14 LEU CB C 13 41.676 0.000 . 1 . . . . A 211 LEU CB . 34669 1 113 . 1 . 1 14 14 LEU CD1 C 13 24.772 0.000 . 1 . . . . A 211 LEU CD1 . 34669 1 114 . 1 . 1 14 14 LEU CD2 C 13 24.925 0.000 . 1 . . . . A 211 LEU CD2 . 34669 1 115 . 1 . 1 14 14 LEU N N 15 119.972 0.004 . 1 . . . . A 211 LEU N . 34669 1 116 . 1 . 1 15 15 GLN H H 1 8.086 0.002 . 1 . . . . A 212 GLN H . 34669 1 117 . 1 . 1 15 15 GLN HA H 1 3.933 0.003 . 1 . . . . A 212 GLN HA . 34669 1 118 . 1 . 1 15 15 GLN HB2 H 1 2.085 0.007 . 2 . . . . A 212 GLN HB2 . 34669 1 119 . 1 . 1 15 15 GLN HG2 H 1 2.373 0.007 . 2 . . . . A 212 GLN HG2 . 34669 1 120 . 1 . 1 15 15 GLN HG3 H 1 2.235 0.005 . 2 . . . . A 212 GLN HG3 . 34669 1 121 . 1 . 1 15 15 GLN HE21 H 1 6.787 0.000 . 1 . . . . A 212 GLN HE21 . 34669 1 122 . 1 . 1 15 15 GLN HE22 H 1 7.053 0.000 . 1 . . . . A 212 GLN HE22 . 34669 1 123 . 1 . 1 15 15 GLN C C 13 178.368 0.000 . 1 . . . . A 212 GLN C . 34669 1 124 . 1 . 1 15 15 GLN CA C 13 58.932 0.203 . 1 . . . . A 212 GLN CA . 34669 1 125 . 1 . 1 15 15 GLN CB C 13 28.425 0.208 . 1 . . . . A 212 GLN CB . 34669 1 126 . 1 . 1 15 15 GLN CG C 13 34.295 0.141 . 1 . . . . A 212 GLN CG . 34669 1 127 . 1 . 1 15 15 GLN N N 15 116.734 0.023 . 1 . . . . A 212 GLN N . 34669 1 128 . 1 . 1 15 15 GLN NE2 N 15 111.343 0.007 . 1 . . . . A 212 GLN NE2 . 34669 1 129 . 1 . 1 16 16 LYS H H 1 7.751 0.003 . 1 . . . . A 213 LYS H . 34669 1 130 . 1 . 1 16 16 LYS HA H 1 4.034 0.005 . 1 . . . . A 213 LYS HA . 34669 1 131 . 1 . 1 16 16 LYS HB2 H 1 1.909 0.008 . 2 . . . . A 213 LYS HB2 . 34669 1 132 . 1 . 1 16 16 LYS HB3 H 1 1.968 0.002 . 2 . . . . A 213 LYS HB3 . 34669 1 133 . 1 . 1 16 16 LYS HG2 H 1 1.428 0.004 . 2 . . . . A 213 LYS HG2 . 34669 1 134 . 1 . 1 16 16 LYS HG3 H 1 1.619 0.004 . 2 . . . . A 213 LYS HG3 . 34669 1 135 . 1 . 1 16 16 LYS HD2 H 1 1.660 0.009 . 2 . . . . A 213 LYS HD2 . 34669 1 136 . 1 . 1 16 16 LYS HD3 H 1 1.641 0.001 . 2 . . . . A 213 LYS HD3 . 34669 1 137 . 1 . 1 16 16 LYS HE2 H 1 2.961 0.005 . 2 . . . . A 213 LYS HE2 . 34669 1 138 . 1 . 1 16 16 LYS C C 13 178.796 0.000 . 1 . . . . A 213 LYS C . 34669 1 139 . 1 . 1 16 16 LYS CA C 13 59.292 0.226 . 1 . . . . A 213 LYS CA . 34669 1 140 . 1 . 1 16 16 LYS CB C 13 32.769 0.178 . 1 . . . . A 213 LYS CB . 34669 1 141 . 1 . 1 16 16 LYS CG C 13 25.519 0.009 . 1 . . . . A 213 LYS CG . 34669 1 142 . 1 . 1 16 16 LYS CD C 13 29.448 0.146 . 1 . . . . A 213 LYS CD . 34669 1 143 . 1 . 1 16 16 LYS CE C 13 42.204 0.145 . 1 . . . . A 213 LYS CE . 34669 1 144 . 1 . 1 16 16 LYS N N 15 119.512 0.007 . 1 . . . . A 213 LYS N . 34669 1 145 . 1 . 1 17 17 GLN H H 1 8.255 0.002 . 1 . . . . A 214 GLN H . 34669 1 146 . 1 . 1 17 17 GLN HA H 1 4.127 0.003 . 1 . . . . A 214 GLN HA . 34669 1 147 . 1 . 1 17 17 GLN HB2 H 1 2.340 0.010 . 2 . . . . A 214 GLN HB2 . 34669 1 148 . 1 . 1 17 17 GLN HB3 H 1 1.912 0.006 . 2 . . . . A 214 GLN HB3 . 34669 1 149 . 1 . 1 17 17 GLN HG2 H 1 2.537 0.007 . 2 . . . . A 214 GLN HG2 . 34669 1 150 . 1 . 1 17 17 GLN HG3 H 1 2.227 0.005 . 2 . . . . A 214 GLN HG3 . 34669 1 151 . 1 . 1 17 17 GLN HE21 H 1 7.099 0.000 . 1 . . . . A 214 GLN HE21 . 34669 1 152 . 1 . 1 17 17 GLN C C 13 177.726 0.000 . 1 . . . . A 214 GLN C . 34669 1 153 . 1 . 1 17 17 GLN CA C 13 58.805 0.189 . 1 . . . . A 214 GLN CA . 34669 1 154 . 1 . 1 17 17 GLN CB C 13 28.941 0.178 . 1 . . . . A 214 GLN CB . 34669 1 155 . 1 . 1 17 17 GLN CG C 13 34.567 0.169 . 1 . . . . A 214 GLN CG . 34669 1 156 . 1 . 1 17 17 GLN N N 15 120.072 0.025 . 1 . . . . A 214 GLN N . 34669 1 157 . 1 . 1 17 17 GLN NE2 N 15 108.469 0.001 . 1 . . . . A 214 GLN NE2 . 34669 1 158 . 1 . 1 18 18 VAL H H 1 8.433 0.002 . 1 . . . . A 215 VAL H . 34669 1 159 . 1 . 1 18 18 VAL HA H 1 3.610 0.003 . 1 . . . . A 215 VAL HA . 34669 1 160 . 1 . 1 18 18 VAL HB H 1 2.111 0.005 . 1 . . . . A 215 VAL HB . 34669 1 161 . 1 . 1 18 18 VAL HG11 H 1 1.023 0.005 . 2 . . . . A 215 VAL HG11 . 34669 1 162 . 1 . 1 18 18 VAL HG12 H 1 1.023 0.005 . 2 . . . . A 215 VAL HG12 . 34669 1 163 . 1 . 1 18 18 VAL HG13 H 1 1.023 0.005 . 2 . . . . A 215 VAL HG13 . 34669 1 164 . 1 . 1 18 18 VAL HG21 H 1 0.914 0.004 . 2 . . . . A 215 VAL HG21 . 34669 1 165 . 1 . 1 18 18 VAL HG22 H 1 0.914 0.004 . 2 . . . . A 215 VAL HG22 . 34669 1 166 . 1 . 1 18 18 VAL HG23 H 1 0.914 0.004 . 2 . . . . A 215 VAL HG23 . 34669 1 167 . 1 . 1 18 18 VAL C C 13 177.153 0.000 . 1 . . . . A 215 VAL C . 34669 1 168 . 1 . 1 18 18 VAL CA C 13 66.571 0.266 . 1 . . . . A 215 VAL CA . 34669 1 169 . 1 . 1 18 18 VAL CB C 13 31.968 0.235 . 1 . . . . A 215 VAL CB . 34669 1 170 . 1 . 1 18 18 VAL CG1 C 13 23.257 0.113 . 1 . . . . A 215 VAL CG1 . 34669 1 171 . 1 . 1 18 18 VAL CG2 C 13 21.717 0.121 . 1 . . . . A 215 VAL CG2 . 34669 1 172 . 1 . 1 18 18 VAL N N 15 119.336 0.010 . 1 . . . . A 215 VAL N . 34669 1 173 . 1 . 1 19 19 LYS H H 1 7.858 0.004 . 1 . . . . A 216 LYS H . 34669 1 174 . 1 . 1 19 19 LYS HA H 1 4.005 0.002 . 1 . . . . A 216 LYS HA . 34669 1 175 . 1 . 1 19 19 LYS HB2 H 1 1.856 0.013 . 2 . . . . A 216 LYS HB2 . 34669 1 176 . 1 . 1 19 19 LYS HB3 H 1 1.913 0.001 . 2 . . . . A 216 LYS HB3 . 34669 1 177 . 1 . 1 19 19 LYS HG2 H 1 1.463 0.014 . 2 . . . . A 216 LYS HG2 . 34669 1 178 . 1 . 1 19 19 LYS HG3 H 1 1.422 0.001 . 2 . . . . A 216 LYS HG3 . 34669 1 179 . 1 . 1 19 19 LYS HD2 H 1 1.720 0.010 . 2 . . . . A 216 LYS HD2 . 34669 1 180 . 1 . 1 19 19 LYS HD3 H 1 1.635 0.004 . 2 . . . . A 216 LYS HD3 . 34669 1 181 . 1 . 1 19 19 LYS HE2 H 1 3.013 0.005 . 2 . . . . A 216 LYS HE2 . 34669 1 182 . 1 . 1 19 19 LYS HE3 H 1 3.008 0.000 . 2 . . . . A 216 LYS HE3 . 34669 1 183 . 1 . 1 19 19 LYS C C 13 177.267 0.000 . 1 . . . . A 216 LYS C . 34669 1 184 . 1 . 1 19 19 LYS CA C 13 59.295 0.216 . 1 . . . . A 216 LYS CA . 34669 1 185 . 1 . 1 19 19 LYS CB C 13 32.492 0.216 . 1 . . . . A 216 LYS CB . 34669 1 186 . 1 . 1 19 19 LYS CG C 13 25.185 0.172 . 1 . . . . A 216 LYS CG . 34669 1 187 . 1 . 1 19 19 LYS CD C 13 29.243 0.142 . 1 . . . . A 216 LYS CD . 34669 1 188 . 1 . 1 19 19 LYS CE C 13 42.311 0.147 . 1 . . . . A 216 LYS CE . 34669 1 189 . 1 . 1 19 19 LYS N N 15 120.224 0.026 . 1 . . . . A 216 LYS N . 34669 1 190 . 1 . 1 20 20 TYR H H 1 7.834 0.002 . 1 . . . . A 217 TYR H . 34669 1 191 . 1 . 1 20 20 TYR HA H 1 4.374 0.002 . 1 . . . . A 217 TYR HA . 34669 1 192 . 1 . 1 20 20 TYR HB2 H 1 3.176 0.002 . 2 . . . . A 217 TYR HB2 . 34669 1 193 . 1 . 1 20 20 TYR HB3 H 1 3.197 0.000 . 2 . . . . A 217 TYR HB3 . 34669 1 194 . 1 . 1 20 20 TYR HD1 H 1 7.073 0.001 . 3 . . . . A 217 TYR HD1 . 34669 1 195 . 1 . 1 20 20 TYR HD2 H 1 7.073 0.001 . 3 . . . . A 217 TYR HD2 . 34669 1 196 . 1 . 1 20 20 TYR HE1 H 1 6.789 0.002 . 3 . . . . A 217 TYR HE1 . 34669 1 197 . 1 . 1 20 20 TYR HE2 H 1 6.789 0.002 . 3 . . . . A 217 TYR HE2 . 34669 1 198 . 1 . 1 20 20 TYR C C 13 178.088 0.000 . 1 . . . . A 217 TYR C . 34669 1 199 . 1 . 1 20 20 TYR CA C 13 60.631 0.187 . 1 . . . . A 217 TYR CA . 34669 1 200 . 1 . 1 20 20 TYR CB C 13 38.415 0.144 . 1 . . . . A 217 TYR CB . 34669 1 201 . 1 . 1 20 20 TYR CD1 C 13 133.000 0.000 . 1 . . . . A 217 TYR CD1 . 34669 1 202 . 1 . 1 20 20 TYR CD2 C 13 133.000 0.000 . 1 . . . . A 217 TYR CD2 . 34669 1 203 . 1 . 1 20 20 TYR CE1 C 13 118.302 0.000 . 1 . . . . A 217 TYR CE1 . 34669 1 204 . 1 . 1 20 20 TYR CE2 C 13 118.302 0.000 . 1 . . . . A 217 TYR CE2 . 34669 1 205 . 1 . 1 20 20 TYR N N 15 118.942 0.007 . 1 . . . . A 217 TYR N . 34669 1 206 . 1 . 1 21 21 ILE H H 1 8.287 0.002 . 1 . . . . A 218 ILE H . 34669 1 207 . 1 . 1 21 21 ILE HA H 1 3.510 0.004 . 1 . . . . A 218 ILE HA . 34669 1 208 . 1 . 1 21 21 ILE HB H 1 2.032 0.005 . 1 . . . . A 218 ILE HB . 34669 1 209 . 1 . 1 21 21 ILE HG12 H 1 1.870 0.008 . 2 . . . . A 218 ILE HG12 . 34669 1 210 . 1 . 1 21 21 ILE HG13 H 1 1.121 0.004 . 2 . . . . A 218 ILE HG13 . 34669 1 211 . 1 . 1 21 21 ILE HG21 H 1 0.853 0.004 . 1 . . . . A 218 ILE HG21 . 34669 1 212 . 1 . 1 21 21 ILE HG22 H 1 0.853 0.004 . 1 . . . . A 218 ILE HG22 . 34669 1 213 . 1 . 1 21 21 ILE HG23 H 1 0.853 0.004 . 1 . . . . A 218 ILE HG23 . 34669 1 214 . 1 . 1 21 21 ILE HD11 H 1 0.794 0.005 . 1 . . . . A 218 ILE HD11 . 34669 1 215 . 1 . 1 21 21 ILE HD12 H 1 0.794 0.005 . 1 . . . . A 218 ILE HD12 . 34669 1 216 . 1 . 1 21 21 ILE HD13 H 1 0.794 0.005 . 1 . . . . A 218 ILE HD13 . 34669 1 217 . 1 . 1 21 21 ILE C C 13 178.182 0.000 . 1 . . . . A 218 ILE C . 34669 1 218 . 1 . 1 21 21 ILE CA C 13 64.885 0.233 . 1 . . . . A 218 ILE CA . 34669 1 219 . 1 . 1 21 21 ILE CB C 13 38.372 0.261 . 1 . . . . A 218 ILE CB . 34669 1 220 . 1 . 1 21 21 ILE CG1 C 13 29.494 0.025 . 1 . . . . A 218 ILE CG1 . 34669 1 221 . 1 . 1 21 21 ILE CG2 C 13 17.892 0.119 . 1 . . . . A 218 ILE CG2 . 34669 1 222 . 1 . 1 21 21 ILE CD1 C 13 14.584 0.106 . 1 . . . . A 218 ILE CD1 . 34669 1 223 . 1 . 1 21 21 ILE N N 15 121.096 0.018 . 1 . . . . A 218 ILE N . 34669 1 224 . 1 . 1 22 22 MET H H 1 8.304 0.006 . 1 . . . . A 219 MET H . 34669 1 225 . 1 . 1 22 22 MET HA H 1 4.229 0.002 . 1 . . . . A 219 MET HA . 34669 1 226 . 1 . 1 22 22 MET HB2 H 1 2.156 0.003 . 2 . . . . A 219 MET HB2 . 34669 1 227 . 1 . 1 22 22 MET HG2 H 1 2.693 0.001 . 2 . . . . A 219 MET HG2 . 34669 1 228 . 1 . 1 22 22 MET HG3 H 1 2.591 0.001 . 2 . . . . A 219 MET HG3 . 34669 1 229 . 1 . 1 22 22 MET HE1 H 1 1.996 0.002 . 1 . . . . A 219 MET HE1 . 34669 1 230 . 1 . 1 22 22 MET HE2 H 1 1.996 0.002 . 1 . . . . A 219 MET HE2 . 34669 1 231 . 1 . 1 22 22 MET HE3 H 1 1.996 0.002 . 1 . . . . A 219 MET HE3 . 34669 1 232 . 1 . 1 22 22 MET C C 13 178.316 0.000 . 1 . . . . A 219 MET C . 34669 1 233 . 1 . 1 22 22 MET CA C 13 57.876 0.208 . 1 . . . . A 219 MET CA . 34669 1 234 . 1 . 1 22 22 MET CB C 13 31.903 0.167 . 1 . . . . A 219 MET CB . 34669 1 235 . 1 . 1 22 22 MET CG C 13 32.376 0.106 . 1 . . . . A 219 MET CG . 34669 1 236 . 1 . 1 22 22 MET CE C 13 17.134 0.000 . 1 . . . . A 219 MET CE . 34669 1 237 . 1 . 1 22 22 MET N N 15 119.700 0.020 . 1 . . . . A 219 MET N . 34669 1 238 . 1 . 1 23 23 ASP H H 1 8.674 0.005 . 1 . . . . A 220 ASP H . 34669 1 239 . 1 . 1 23 23 ASP HA H 1 4.465 0.002 . 1 . . . . A 220 ASP HA . 34669 1 240 . 1 . 1 23 23 ASP HB2 H 1 2.714 0.005 . 2 . . . . A 220 ASP HB2 . 34669 1 241 . 1 . 1 23 23 ASP HB3 H 1 2.657 0.002 . 2 . . . . A 220 ASP HB3 . 34669 1 242 . 1 . 1 23 23 ASP C C 13 177.463 0.000 . 1 . . . . A 220 ASP C . 34669 1 243 . 1 . 1 23 23 ASP CA C 13 56.144 0.197 . 1 . . . . A 220 ASP CA . 34669 1 244 . 1 . 1 23 23 ASP CB C 13 40.738 0.221 . 1 . . . . A 220 ASP CB . 34669 1 245 . 1 . 1 23 23 ASP N N 15 120.962 0.018 . 1 . . . . A 220 ASP N . 34669 1 246 . 1 . 1 24 24 SER H H 1 7.850 0.005 . 1 . . . . A 221 SER H . 34669 1 247 . 1 . 1 24 24 SER HA H 1 4.286 0.002 . 1 . . . . A 221 SER HA . 34669 1 248 . 1 . 1 24 24 SER HB2 H 1 3.792 0.005 . 2 . . . . A 221 SER HB2 . 34669 1 249 . 1 . 1 24 24 SER HB3 H 1 3.661 0.003 . 2 . . . . A 221 SER HB3 . 34669 1 250 . 1 . 1 24 24 SER C C 13 174.625 0.000 . 1 . . . . A 221 SER C . 34669 1 251 . 1 . 1 24 24 SER CA C 13 59.296 0.199 . 1 . . . . A 221 SER CA . 34669 1 252 . 1 . 1 24 24 SER CB C 13 63.987 0.164 . 1 . . . . A 221 SER CB . 34669 1 253 . 1 . 1 24 24 SER N N 15 113.783 0.031 . 1 . . . . A 221 SER N . 34669 1 254 . 1 . 1 25 25 ASN H H 1 8.026 0.004 . 1 . . . . A 222 ASN H . 34669 1 255 . 1 . 1 25 25 ASN HA H 1 4.697 0.001 . 1 . . . . A 222 ASN HA . 34669 1 256 . 1 . 1 25 25 ASN HB2 H 1 3.111 0.002 . 2 . . . . A 222 ASN HB2 . 34669 1 257 . 1 . 1 25 25 ASN HB3 H 1 2.760 0.005 . 2 . . . . A 222 ASN HB3 . 34669 1 258 . 1 . 1 25 25 ASN HD21 H 1 7.515 0.000 . 1 . . . . A 222 ASN HD21 . 34669 1 259 . 1 . 1 25 25 ASN HD22 H 1 6.888 0.000 . 1 . . . . A 222 ASN HD22 . 34669 1 260 . 1 . 1 25 25 ASN C C 13 176.671 0.000 . 1 . . . . A 222 ASN C . 34669 1 261 . 1 . 1 25 25 ASN CA C 13 54.434 0.045 . 1 . . . . A 222 ASN CA . 34669 1 262 . 1 . 1 25 25 ASN CB C 13 38.048 0.063 . 1 . . . . A 222 ASN CB . 34669 1 263 . 1 . 1 25 25 ASN N N 15 118.050 0.028 . 1 . . . . A 222 ASN N . 34669 1 264 . 1 . 1 25 25 ASN ND2 N 15 112.444 0.017 . 1 . . . . A 222 ASN ND2 . 34669 1 265 . 1 . 1 26 26 MET H H 1 8.014 0.003 . 1 . . . . A 223 MET H . 34669 1 266 . 1 . 1 26 26 MET HA H 1 4.088 0.003 . 1 . . . . A 223 MET HA . 34669 1 267 . 1 . 1 26 26 MET HB2 H 1 2.004 0.004 . 2 . . . . A 223 MET HB2 . 34669 1 268 . 1 . 1 26 26 MET HG2 H 1 2.628 0.006 . 2 . . . . A 223 MET HG2 . 34669 1 269 . 1 . 1 26 26 MET HG3 H 1 2.457 0.004 . 2 . . . . A 223 MET HG3 . 34669 1 270 . 1 . 1 26 26 MET HE1 H 1 2.050 0.000 . 1 . . . . A 223 MET HE1 . 34669 1 271 . 1 . 1 26 26 MET HE2 H 1 2.050 0.000 . 1 . . . . A 223 MET HE2 . 34669 1 272 . 1 . 1 26 26 MET HE3 H 1 2.050 0.000 . 1 . . . . A 223 MET HE3 . 34669 1 273 . 1 . 1 26 26 MET C C 13 176.529 0.000 . 1 . . . . A 223 MET C . 34669 1 274 . 1 . 1 26 26 MET CA C 13 58.701 0.233 . 1 . . . . A 223 MET CA . 34669 1 275 . 1 . 1 26 26 MET CB C 13 33.786 0.230 . 1 . . . . A 223 MET CB . 34669 1 276 . 1 . 1 26 26 MET CG C 13 33.273 0.157 . 1 . . . . A 223 MET CG . 34669 1 277 . 1 . 1 26 26 MET CE C 13 17.568 0.000 . 1 . . . . A 223 MET CE . 34669 1 278 . 1 . 1 26 26 MET N N 15 117.861 0.041 . 1 . . . . A 223 MET N . 34669 1 279 . 1 . 1 27 27 LEU H H 1 8.096 0.003 . 1 . . . . A 224 LEU H . 34669 1 280 . 1 . 1 27 27 LEU HA H 1 3.933 0.002 . 1 . . . . A 224 LEU HA . 34669 1 281 . 1 . 1 27 27 LEU HB2 H 1 1.628 0.004 . 2 . . . . A 224 LEU HB2 . 34669 1 282 . 1 . 1 27 27 LEU HB3 H 1 1.461 0.005 . 2 . . . . A 224 LEU HB3 . 34669 1 283 . 1 . 1 27 27 LEU HG H 1 1.541 0.004 . 1 . . . . A 224 LEU HG . 34669 1 284 . 1 . 1 27 27 LEU HD11 H 1 0.842 0.003 . 2 . . . . A 224 LEU HD11 . 34669 1 285 . 1 . 1 27 27 LEU HD12 H 1 0.842 0.003 . 2 . . . . A 224 LEU HD12 . 34669 1 286 . 1 . 1 27 27 LEU HD13 H 1 0.842 0.003 . 2 . . . . A 224 LEU HD13 . 34669 1 287 . 1 . 1 27 27 LEU HD21 H 1 0.717 0.003 . 2 . . . . A 224 LEU HD21 . 34669 1 288 . 1 . 1 27 27 LEU HD22 H 1 0.717 0.003 . 2 . . . . A 224 LEU HD22 . 34669 1 289 . 1 . 1 27 27 LEU HD23 H 1 0.717 0.003 . 2 . . . . A 224 LEU HD23 . 34669 1 290 . 1 . 1 27 27 LEU C C 13 176.803 0.000 . 1 . . . . A 224 LEU C . 34669 1 291 . 1 . 1 27 27 LEU CA C 13 56.705 0.210 . 1 . . . . A 224 LEU CA . 34669 1 292 . 1 . 1 27 27 LEU CB C 13 41.568 0.148 . 1 . . . . A 224 LEU CB . 34669 1 293 . 1 . 1 27 27 LEU CG C 13 27.698 0.153 . 1 . . . . A 224 LEU CG . 34669 1 294 . 1 . 1 27 27 LEU CD1 C 13 25.650 0.095 . 1 . . . . A 224 LEU CD1 . 34669 1 295 . 1 . 1 27 27 LEU CD2 C 13 23.929 0.109 . 1 . . . . A 224 LEU CD2 . 34669 1 296 . 1 . 1 27 27 LEU N N 15 115.549 0.004 . 1 . . . . A 224 LEU N . 34669 1 297 . 1 . 1 28 28 ASN H H 1 7.599 0.002 . 1 . . . . A 225 ASN H . 34669 1 298 . 1 . 1 28 28 ASN HA H 1 4.859 0.003 . 1 . . . . A 225 ASN HA . 34669 1 299 . 1 . 1 28 28 ASN HB2 H 1 2.980 0.007 . 2 . . . . A 225 ASN HB2 . 34669 1 300 . 1 . 1 28 28 ASN HB3 H 1 2.584 0.004 . 2 . . . . A 225 ASN HB3 . 34669 1 301 . 1 . 1 28 28 ASN HD21 H 1 7.622 0.000 . 1 . . . . A 225 ASN HD21 . 34669 1 302 . 1 . 1 28 28 ASN HD22 H 1 6.869 0.000 . 1 . . . . A 225 ASN HD22 . 34669 1 303 . 1 . 1 28 28 ASN C C 13 175.100 0.000 . 1 . . . . A 225 ASN C . 34669 1 304 . 1 . 1 28 28 ASN CA C 13 52.609 0.189 . 1 . . . . A 225 ASN CA . 34669 1 305 . 1 . 1 28 28 ASN CB C 13 29.783 0.000 . 1 . . . . A 225 ASN CB . 34669 1 306 . 1 . 1 28 28 ASN N N 15 114.739 0.095 . 1 . . . . A 225 ASN N . 34669 1 307 . 1 . 1 28 28 ASN ND2 N 15 113.078 0.001 . 1 . . . . A 225 ASN ND2 . 34669 1 308 . 1 . 1 29 29 LEU H H 1 7.551 0.003 . 1 . . . . A 226 LEU H . 34669 1 309 . 1 . 1 29 29 LEU HA H 1 4.541 0.003 . 1 . . . . A 226 LEU HA . 34669 1 310 . 1 . 1 29 29 LEU HB2 H 1 1.863 0.004 . 2 . . . . A 226 LEU HB2 . 34669 1 311 . 1 . 1 29 29 LEU HB3 H 1 1.623 0.007 . 2 . . . . A 226 LEU HB3 . 34669 1 312 . 1 . 1 29 29 LEU HG H 1 1.951 0.006 . 1 . . . . A 226 LEU HG . 34669 1 313 . 1 . 1 29 29 LEU HD11 H 1 1.073 0.003 . 2 . . . . A 226 LEU HD11 . 34669 1 314 . 1 . 1 29 29 LEU HD12 H 1 1.073 0.003 . 2 . . . . A 226 LEU HD12 . 34669 1 315 . 1 . 1 29 29 LEU HD13 H 1 1.073 0.003 . 2 . . . . A 226 LEU HD13 . 34669 1 316 . 1 . 1 29 29 LEU HD21 H 1 0.994 0.004 . 2 . . . . A 226 LEU HD21 . 34669 1 317 . 1 . 1 29 29 LEU HD22 H 1 0.994 0.004 . 2 . . . . A 226 LEU HD22 . 34669 1 318 . 1 . 1 29 29 LEU HD23 H 1 0.994 0.004 . 2 . . . . A 226 LEU HD23 . 34669 1 319 . 1 . 1 29 29 LEU CA C 13 54.111 0.201 . 1 . . . . A 226 LEU CA . 34669 1 320 . 1 . 1 29 29 LEU CB C 13 41.558 0.077 . 1 . . . . A 226 LEU CB . 34669 1 321 . 1 . 1 29 29 LEU CG C 13 27.303 0.154 . 1 . . . . A 226 LEU CG . 34669 1 322 . 1 . 1 29 29 LEU CD1 C 13 26.204 0.097 . 1 . . . . A 226 LEU CD1 . 34669 1 323 . 1 . 1 29 29 LEU CD2 C 13 23.247 0.118 . 1 . . . . A 226 LEU CD2 . 34669 1 324 . 1 . 1 29 29 LEU N N 15 122.591 0.022 . 1 . . . . A 226 LEU N . 34669 1 325 . 1 . 1 30 30 PRO HA H 1 4.278 0.005 . 1 . . . . A 227 PRO HA . 34669 1 326 . 1 . 1 30 30 PRO HB2 H 1 2.365 0.006 . 2 . . . . A 227 PRO HB2 . 34669 1 327 . 1 . 1 30 30 PRO HB3 H 1 1.946 0.002 . 2 . . . . A 227 PRO HB3 . 34669 1 328 . 1 . 1 30 30 PRO HG2 H 1 2.110 0.008 . 2 . . . . A 227 PRO HG2 . 34669 1 329 . 1 . 1 30 30 PRO HG3 H 1 2.143 0.002 . 2 . . . . A 227 PRO HG3 . 34669 1 330 . 1 . 1 30 30 PRO HD2 H 1 3.953 0.005 . 2 . . . . A 227 PRO HD2 . 34669 1 331 . 1 . 1 30 30 PRO HD3 H 1 3.810 0.006 . 2 . . . . A 227 PRO HD3 . 34669 1 332 . 1 . 1 30 30 PRO C C 13 178.323 0.000 . 1 . . . . A 227 PRO C . 34669 1 333 . 1 . 1 30 30 PRO CA C 13 65.659 0.239 . 1 . . . . A 227 PRO CA . 34669 1 334 . 1 . 1 30 30 PRO CB C 13 32.042 0.178 . 1 . . . . A 227 PRO CB . 34669 1 335 . 1 . 1 30 30 PRO CG C 13 27.735 0.184 . 1 . . . . A 227 PRO CG . 34669 1 336 . 1 . 1 30 30 PRO CD C 13 51.080 0.134 . 1 . . . . A 227 PRO CD . 34669 1 337 . 1 . 1 31 31 GLN H H 1 9.026 0.001 . 1 . . . . A 228 GLN H . 34669 1 338 . 1 . 1 31 31 GLN HA H 1 4.136 0.006 . 1 . . . . A 228 GLN HA . 34669 1 339 . 1 . 1 31 31 GLN HB2 H 1 1.780 0.011 . 2 . . . . A 228 GLN HB2 . 34669 1 340 . 1 . 1 31 31 GLN C C 13 175.780 0.000 . 1 . . . . A 228 GLN C . 34669 1 341 . 1 . 1 31 31 GLN CA C 13 57.924 0.176 . 1 . . . . A 228 GLN CA . 34669 1 342 . 1 . 1 31 31 GLN CB C 13 27.635 0.124 . 1 . . . . A 228 GLN CB . 34669 1 343 . 1 . 1 31 31 GLN CG C 13 33.015 0.034 . 1 . . . . A 228 GLN CG . 34669 1 344 . 1 . 1 31 31 GLN N N 15 115.898 0.006 . 1 . . . . A 228 GLN N . 34669 1 345 . 1 . 1 32 32 PHE H H 1 7.484 0.004 . 1 . . . . A 229 PHE H . 34669 1 346 . 1 . 1 32 32 PHE HA H 1 4.911 0.003 . 1 . . . . A 229 PHE HA . 34669 1 347 . 1 . 1 32 32 PHE HB2 H 1 3.402 0.004 . 2 . . . . A 229 PHE HB2 . 34669 1 348 . 1 . 1 32 32 PHE HB3 H 1 2.833 0.006 . 2 . . . . A 229 PHE HB3 . 34669 1 349 . 1 . 1 32 32 PHE HD1 H 1 7.196 0.001 . 3 . . . . A 229 PHE HD1 . 34669 1 350 . 1 . 1 32 32 PHE HD2 H 1 7.196 0.001 . 3 . . . . A 229 PHE HD2 . 34669 1 351 . 1 . 1 32 32 PHE HE1 H 1 7.260 0.003 . 3 . . . . A 229 PHE HE1 . 34669 1 352 . 1 . 1 32 32 PHE HE2 H 1 7.260 0.003 . 3 . . . . A 229 PHE HE2 . 34669 1 353 . 1 . 1 32 32 PHE HZ H 1 7.262 0.002 . 1 . . . . A 229 PHE HZ . 34669 1 354 . 1 . 1 32 32 PHE C C 13 176.633 0.000 . 1 . . . . A 229 PHE C . 34669 1 355 . 1 . 1 32 32 PHE CA C 13 56.584 0.150 . 1 . . . . A 229 PHE CA . 34669 1 356 . 1 . 1 32 32 PHE CB C 13 40.126 0.199 . 1 . . . . A 229 PHE CB . 34669 1 357 . 1 . 1 32 32 PHE CD1 C 13 131.556 0.000 . 1 . . . . A 229 PHE CD1 . 34669 1 358 . 1 . 1 32 32 PHE CD2 C 13 131.556 0.000 . 1 . . . . A 229 PHE CD2 . 34669 1 359 . 1 . 1 32 32 PHE CE1 C 13 129.815 0.000 . 1 . . . . A 229 PHE CE1 . 34669 1 360 . 1 . 1 32 32 PHE CE2 C 13 129.815 0.000 . 1 . . . . A 229 PHE CE2 . 34669 1 361 . 1 . 1 32 32 PHE CZ C 13 131.543 0.000 . 1 . . . . A 229 PHE CZ . 34669 1 362 . 1 . 1 32 32 PHE N N 15 116.502 0.010 . 1 . . . . A 229 PHE N . 34669 1 363 . 1 . 1 33 33 GLN H H 1 7.658 0.003 . 1 . . . . A 230 GLN H . 34669 1 364 . 1 . 1 33 33 GLN HA H 1 4.051 0.003 . 1 . . . . A 230 GLN HA . 34669 1 365 . 1 . 1 33 33 GLN HB2 H 1 2.097 0.028 . 2 . . . . A 230 GLN HB2 . 34669 1 366 . 1 . 1 33 33 GLN HB3 H 1 2.049 0.007 . 2 . . . . A 230 GLN HB3 . 34669 1 367 . 1 . 1 33 33 GLN HG2 H 1 2.455 0.004 . 2 . . . . A 230 GLN HG2 . 34669 1 368 . 1 . 1 33 33 GLN HG3 H 1 2.334 0.006 . 2 . . . . A 230 GLN HG3 . 34669 1 369 . 1 . 1 33 33 GLN HE21 H 1 7.416 0.000 . 1 . . . . A 230 GLN HE21 . 34669 1 370 . 1 . 1 33 33 GLN HE22 H 1 6.885 0.000 . 1 . . . . A 230 GLN HE22 . 34669 1 371 . 1 . 1 33 33 GLN CA C 13 58.616 0.192 . 1 . . . . A 230 GLN CA . 34669 1 372 . 1 . 1 33 33 GLN CB C 13 28.878 0.133 . 1 . . . . A 230 GLN CB . 34669 1 373 . 1 . 1 33 33 GLN CG C 13 33.689 0.137 . 1 . . . . A 230 GLN CG . 34669 1 374 . 1 . 1 33 33 GLN N N 15 117.558 0.012 . 1 . . . . A 230 GLN N . 34669 1 375 . 1 . 1 33 33 GLN NE2 N 15 111.675 0.007 . 1 . . . . A 230 GLN NE2 . 34669 1 376 . 1 . 1 34 34 HIS HA H 1 4.627 0.003 . 1 . . . . A 231 HIS HA . 34669 1 377 . 1 . 1 34 34 HIS HB2 H 1 3.146 0.006 . 2 . . . . A 231 HIS HB2 . 34669 1 378 . 1 . 1 34 34 HIS HD2 H 1 7.029 0.002 . 1 . . . . A 231 HIS HD2 . 34669 1 379 . 1 . 1 34 34 HIS HE1 H 1 7.979 0.003 . 1 . . . . A 231 HIS HE1 . 34669 1 380 . 1 . 1 34 34 HIS C C 13 175.152 0.000 . 1 . . . . A 231 HIS C . 34669 1 381 . 1 . 1 34 34 HIS CA C 13 56.068 0.139 . 1 . . . . A 231 HIS CA . 34669 1 382 . 1 . 1 34 34 HIS CB C 13 30.351 0.000 . 1 . . . . A 231 HIS CB . 34669 1 383 . 1 . 1 34 34 HIS CD2 C 13 118.876 0.000 . 1 . . . . A 231 HIS CD2 . 34669 1 384 . 1 . 1 34 34 HIS CE1 C 13 138.899 0.000 . 1 . . . . A 231 HIS CE1 . 34669 1 385 . 1 . 1 35 35 LEU H H 1 7.221 0.001 . 1 . . . . A 232 LEU H . 34669 1 386 . 1 . 1 35 35 LEU HA H 1 4.467 0.002 . 1 . . . . A 232 LEU HA . 34669 1 387 . 1 . 1 35 35 LEU HB2 H 1 1.635 0.005 . 2 . . . . A 232 LEU HB2 . 34669 1 388 . 1 . 1 35 35 LEU HB3 H 1 1.224 0.005 . 2 . . . . A 232 LEU HB3 . 34669 1 389 . 1 . 1 35 35 LEU HG H 1 1.094 0.014 . 1 . . . . A 232 LEU HG . 34669 1 390 . 1 . 1 35 35 LEU HD11 H 1 0.881 0.005 . 2 . . . . A 232 LEU HD11 . 34669 1 391 . 1 . 1 35 35 LEU HD12 H 1 0.881 0.005 . 2 . . . . A 232 LEU HD12 . 34669 1 392 . 1 . 1 35 35 LEU HD13 H 1 0.881 0.005 . 2 . . . . A 232 LEU HD13 . 34669 1 393 . 1 . 1 35 35 LEU HD21 H 1 0.816 0.005 . 2 . . . . A 232 LEU HD21 . 34669 1 394 . 1 . 1 35 35 LEU HD22 H 1 0.816 0.005 . 2 . . . . A 232 LEU HD22 . 34669 1 395 . 1 . 1 35 35 LEU HD23 H 1 0.816 0.005 . 2 . . . . A 232 LEU HD23 . 34669 1 396 . 1 . 1 35 35 LEU CA C 13 52.698 0.042 . 1 . . . . A 232 LEU CA . 34669 1 397 . 1 . 1 35 35 LEU CB C 13 42.426 0.117 . 1 . . . . A 232 LEU CB . 34669 1 398 . 1 . 1 35 35 LEU CG C 13 26.769 0.038 . 1 . . . . A 232 LEU CG . 34669 1 399 . 1 . 1 35 35 LEU CD1 C 13 26.477 0.122 . 1 . . . . A 232 LEU CD1 . 34669 1 400 . 1 . 1 35 35 LEU CD2 C 13 22.925 0.122 . 1 . . . . A 232 LEU CD2 . 34669 1 401 . 1 . 1 35 35 LEU N N 15 122.704 0.008 . 1 . . . . A 232 LEU N . 34669 1 402 . 1 . 1 36 36 PRO HA H 1 4.521 0.003 . 1 . . . . A 233 PRO HA . 34669 1 403 . 1 . 1 36 36 PRO HB2 H 1 2.473 0.005 . 2 . . . . A 233 PRO HB2 . 34669 1 404 . 1 . 1 36 36 PRO HB3 H 1 1.974 0.007 . 2 . . . . A 233 PRO HB3 . 34669 1 405 . 1 . 1 36 36 PRO HG2 H 1 2.069 0.005 . 2 . . . . A 233 PRO HG2 . 34669 1 406 . 1 . 1 36 36 PRO HD2 H 1 3.888 0.004 . 2 . . . . A 233 PRO HD2 . 34669 1 407 . 1 . 1 36 36 PRO HD3 H 1 3.537 0.002 . 2 . . . . A 233 PRO HD3 . 34669 1 408 . 1 . 1 36 36 PRO C C 13 177.643 0.000 . 1 . . . . A 233 PRO C . 34669 1 409 . 1 . 1 36 36 PRO CA C 13 62.708 0.192 . 1 . . . . A 233 PRO CA . 34669 1 410 . 1 . 1 36 36 PRO CB C 13 32.486 0.173 . 1 . . . . A 233 PRO CB . 34669 1 411 . 1 . 1 36 36 PRO CG C 13 28.183 0.096 . 1 . . . . A 233 PRO CG . 34669 1 412 . 1 . 1 36 36 PRO CD C 13 50.766 0.140 . 1 . . . . A 233 PRO CD . 34669 1 413 . 1 . 1 37 37 GLN H H 1 8.796 0.003 . 1 . . . . A 234 GLN H . 34669 1 414 . 1 . 1 37 37 GLN HA H 1 3.818 0.002 . 1 . . . . A 234 GLN HA . 34669 1 415 . 1 . 1 37 37 GLN HB2 H 1 2.212 0.006 . 2 . . . . A 234 GLN HB2 . 34669 1 416 . 1 . 1 37 37 GLN HB3 H 1 2.020 0.005 . 2 . . . . A 234 GLN HB3 . 34669 1 417 . 1 . 1 37 37 GLN HG2 H 1 2.455 0.005 . 2 . . . . A 234 GLN HG2 . 34669 1 418 . 1 . 1 37 37 GLN HG3 H 1 2.378 0.007 . 2 . . . . A 234 GLN HG3 . 34669 1 419 . 1 . 1 37 37 GLN HE21 H 1 7.495 0.000 . 1 . . . . A 234 GLN HE21 . 34669 1 420 . 1 . 1 37 37 GLN HE22 H 1 6.770 0.000 . 1 . . . . A 234 GLN HE22 . 34669 1 421 . 1 . 1 37 37 GLN C C 13 177.573 0.000 . 1 . . . . A 234 GLN C . 34669 1 422 . 1 . 1 37 37 GLN CA C 13 60.201 0.233 . 1 . . . . A 234 GLN CA . 34669 1 423 . 1 . 1 37 37 GLN CB C 13 28.793 0.171 . 1 . . . . A 234 GLN CB . 34669 1 424 . 1 . 1 37 37 GLN CG C 13 33.300 0.000 . 1 . . . . A 234 GLN CG . 34669 1 425 . 1 . 1 37 37 GLN N N 15 122.516 0.010 . 1 . . . . A 234 GLN N . 34669 1 426 . 1 . 1 37 37 GLN NE2 N 15 111.131 0.020 . 1 . . . . A 234 GLN NE2 . 34669 1 427 . 1 . 1 38 38 GLU H H 1 9.461 0.002 . 1 . . . . A 235 GLU H . 34669 1 428 . 1 . 1 38 38 GLU HA H 1 4.088 0.002 . 1 . . . . A 235 GLU HA . 34669 1 429 . 1 . 1 38 38 GLU HB2 H 1 2.057 0.003 . 2 . . . . A 235 GLU HB2 . 34669 1 430 . 1 . 1 38 38 GLU HG2 H 1 2.348 0.003 . 2 . . . . A 235 GLU HG2 . 34669 1 431 . 1 . 1 38 38 GLU C C 13 178.053 0.000 . 1 . . . . A 235 GLU C . 34669 1 432 . 1 . 1 38 38 GLU CA C 13 59.692 0.207 . 1 . . . . A 235 GLU CA . 34669 1 433 . 1 . 1 38 38 GLU CB C 13 28.800 0.163 . 1 . . . . A 235 GLU CB . 34669 1 434 . 1 . 1 38 38 GLU CG C 13 36.892 0.143 . 1 . . . . A 235 GLU CG . 34669 1 435 . 1 . 1 38 38 GLU N N 15 117.174 0.004 . 1 . . . . A 235 GLU N . 34669 1 436 . 1 . 1 39 39 GLU H H 1 7.607 0.003 . 1 . . . . A 236 GLU H . 34669 1 437 . 1 . 1 39 39 GLU HA H 1 4.320 0.003 . 1 . . . . A 236 GLU HA . 34669 1 438 . 1 . 1 39 39 GLU HB2 H 1 2.172 0.004 . 2 . . . . A 236 GLU HB2 . 34669 1 439 . 1 . 1 39 39 GLU HB3 H 1 1.913 0.005 . 2 . . . . A 236 GLU HB3 . 34669 1 440 . 1 . 1 39 39 GLU HG2 H 1 2.290 0.004 . 2 . . . . A 236 GLU HG2 . 34669 1 441 . 1 . 1 39 39 GLU C C 13 178.143 0.000 . 1 . . . . A 236 GLU C . 34669 1 442 . 1 . 1 39 39 GLU CA C 13 57.759 0.222 . 1 . . . . A 236 GLU CA . 34669 1 443 . 1 . 1 39 39 GLU CB C 13 30.921 0.167 . 1 . . . . A 236 GLU CB . 34669 1 444 . 1 . 1 39 39 GLU CG C 13 36.969 0.177 . 1 . . . . A 236 GLU CG . 34669 1 445 . 1 . 1 39 39 GLU N N 15 118.959 0.006 . 1 . . . . A 236 GLU N . 34669 1 446 . 1 . 1 40 40 LYS H H 1 7.998 0.004 . 1 . . . . A 237 LYS H . 34669 1 447 . 1 . 1 40 40 LYS HA H 1 3.728 0.003 . 1 . . . . A 237 LYS HA . 34669 1 448 . 1 . 1 40 40 LYS HB2 H 1 1.861 0.007 . 2 . . . . A 237 LYS HB2 . 34669 1 449 . 1 . 1 40 40 LYS HB3 H 1 1.641 0.012 . 2 . . . . A 237 LYS HB3 . 34669 1 450 . 1 . 1 40 40 LYS HG2 H 1 1.493 0.005 . 2 . . . . A 237 LYS HG2 . 34669 1 451 . 1 . 1 40 40 LYS HG3 H 1 1.214 0.008 . 2 . . . . A 237 LYS HG3 . 34669 1 452 . 1 . 1 40 40 LYS HD2 H 1 1.769 0.005 . 2 . . . . A 237 LYS HD2 . 34669 1 453 . 1 . 1 40 40 LYS HD3 H 1 1.611 0.012 . 2 . . . . A 237 LYS HD3 . 34669 1 454 . 1 . 1 40 40 LYS HE2 H 1 3.053 0.002 . 2 . . . . A 237 LYS HE2 . 34669 1 455 . 1 . 1 40 40 LYS HE3 H 1 3.000 0.007 . 2 . . . . A 237 LYS HE3 . 34669 1 456 . 1 . 1 40 40 LYS C C 13 177.433 0.000 . 1 . . . . A 237 LYS C . 34669 1 457 . 1 . 1 40 40 LYS CA C 13 60.651 0.224 . 1 . . . . A 237 LYS CA . 34669 1 458 . 1 . 1 40 40 LYS CB C 13 33.242 0.113 . 1 . . . . A 237 LYS CB . 34669 1 459 . 1 . 1 40 40 LYS CG C 13 26.205 0.068 . 1 . . . . A 237 LYS CG . 34669 1 460 . 1 . 1 40 40 LYS CD C 13 30.376 0.138 . 1 . . . . A 237 LYS CD . 34669 1 461 . 1 . 1 40 40 LYS CE C 13 42.309 0.171 . 1 . . . . A 237 LYS CE . 34669 1 462 . 1 . 1 40 40 LYS N N 15 120.683 0.013 . 1 . . . . A 237 LYS N . 34669 1 463 . 1 . 1 41 41 MET H H 1 8.185 0.003 . 1 . . . . A 238 MET H . 34669 1 464 . 1 . 1 41 41 MET HA H 1 4.114 0.003 . 1 . . . . A 238 MET HA . 34669 1 465 . 1 . 1 41 41 MET HB2 H 1 2.093 0.004 . 2 . . . . A 238 MET HB2 . 34669 1 466 . 1 . 1 41 41 MET HB3 H 1 2.041 0.003 . 2 . . . . A 238 MET HB3 . 34669 1 467 . 1 . 1 41 41 MET HG2 H 1 2.541 0.002 . 2 . . . . A 238 MET HG2 . 34669 1 468 . 1 . 1 41 41 MET HG3 H 1 2.623 0.001 . 2 . . . . A 238 MET HG3 . 34669 1 469 . 1 . 1 41 41 MET HE1 H 1 2.045 0.002 . 1 . . . . A 238 MET HE1 . 34669 1 470 . 1 . 1 41 41 MET HE2 H 1 2.045 0.002 . 1 . . . . A 238 MET HE2 . 34669 1 471 . 1 . 1 41 41 MET HE3 H 1 2.045 0.002 . 1 . . . . A 238 MET HE3 . 34669 1 472 . 1 . 1 41 41 MET C C 13 177.805 0.000 . 1 . . . . A 238 MET C . 34669 1 473 . 1 . 1 41 41 MET CA C 13 58.205 0.197 . 1 . . . . A 238 MET CA . 34669 1 474 . 1 . 1 41 41 MET CB C 13 31.372 0.154 . 1 . . . . A 238 MET CB . 34669 1 475 . 1 . 1 41 41 MET CG C 13 32.358 0.141 . 1 . . . . A 238 MET CG . 34669 1 476 . 1 . 1 41 41 MET CE C 13 17.029 0.000 . 1 . . . . A 238 MET CE . 34669 1 477 . 1 . 1 41 41 MET N N 15 116.260 0.009 . 1 . . . . A 238 MET N . 34669 1 478 . 1 . 1 42 42 SER H H 1 7.954 0.002 . 1 . . . . A 239 SER H . 34669 1 479 . 1 . 1 42 42 SER HA H 1 4.069 0.002 . 1 . . . . A 239 SER HA . 34669 1 480 . 1 . 1 42 42 SER HB2 H 1 3.902 0.007 . 2 . . . . A 239 SER HB2 . 34669 1 481 . 1 . 1 42 42 SER HB3 H 1 3.932 0.002 . 2 . . . . A 239 SER HB3 . 34669 1 482 . 1 . 1 42 42 SER C C 13 176.449 0.000 . 1 . . . . A 239 SER C . 34669 1 483 . 1 . 1 42 42 SER CA C 13 61.769 0.185 . 1 . . . . A 239 SER CA . 34669 1 484 . 1 . 1 42 42 SER CB C 13 62.667 0.154 . 1 . . . . A 239 SER CB . 34669 1 485 . 1 . 1 42 42 SER N N 15 113.510 0.017 . 1 . . . . A 239 SER N . 34669 1 486 . 1 . 1 43 43 ALA H H 1 7.861 0.002 . 1 . . . . A 240 ALA H . 34669 1 487 . 1 . 1 43 43 ALA HA H 1 4.132 0.002 . 1 . . . . A 240 ALA HA . 34669 1 488 . 1 . 1 43 43 ALA HB1 H 1 1.374 0.006 . 1 . . . . A 240 ALA HB1 . 34669 1 489 . 1 . 1 43 43 ALA HB2 H 1 1.374 0.006 . 1 . . . . A 240 ALA HB2 . 34669 1 490 . 1 . 1 43 43 ALA HB3 H 1 1.374 0.006 . 1 . . . . A 240 ALA HB3 . 34669 1 491 . 1 . 1 43 43 ALA C C 13 180.006 0.000 . 1 . . . . A 240 ALA C . 34669 1 492 . 1 . 1 43 43 ALA CA C 13 54.930 0.168 . 1 . . . . A 240 ALA CA . 34669 1 493 . 1 . 1 43 43 ALA CB C 13 18.320 0.215 . 1 . . . . A 240 ALA CB . 34669 1 494 . 1 . 1 43 43 ALA N N 15 124.623 0.014 . 1 . . . . A 240 ALA N . 34669 1 495 . 1 . 1 44 44 ILE H H 1 8.024 0.002 . 1 . . . . A 241 ILE H . 34669 1 496 . 1 . 1 44 44 ILE HA H 1 3.512 0.004 . 1 . . . . A 241 ILE HA . 34669 1 497 . 1 . 1 44 44 ILE HB H 1 1.732 0.007 . 1 . . . . A 241 ILE HB . 34669 1 498 . 1 . 1 44 44 ILE HG12 H 1 1.367 0.009 . 2 . . . . A 241 ILE HG12 . 34669 1 499 . 1 . 1 44 44 ILE HG13 H 1 0.421 0.011 . 2 . . . . A 241 ILE HG13 . 34669 1 500 . 1 . 1 44 44 ILE HG21 H 1 0.801 0.004 . 1 . . . . A 241 ILE HG21 . 34669 1 501 . 1 . 1 44 44 ILE HG22 H 1 0.801 0.004 . 1 . . . . A 241 ILE HG22 . 34669 1 502 . 1 . 1 44 44 ILE HG23 H 1 0.801 0.004 . 1 . . . . A 241 ILE HG23 . 34669 1 503 . 1 . 1 44 44 ILE HD11 H 1 0.572 0.006 . 1 . . . . A 241 ILE HD11 . 34669 1 504 . 1 . 1 44 44 ILE HD12 H 1 0.572 0.006 . 1 . . . . A 241 ILE HD12 . 34669 1 505 . 1 . 1 44 44 ILE HD13 H 1 0.572 0.006 . 1 . . . . A 241 ILE HD13 . 34669 1 506 . 1 . 1 44 44 ILE C C 13 177.896 0.000 . 1 . . . . A 241 ILE C . 34669 1 507 . 1 . 1 44 44 ILE CA C 13 65.163 0.217 . 1 . . . . A 241 ILE CA . 34669 1 508 . 1 . 1 44 44 ILE CB C 13 38.031 0.234 . 1 . . . . A 241 ILE CB . 34669 1 509 . 1 . 1 44 44 ILE CG1 C 13 29.438 0.012 . 1 . . . . A 241 ILE CG1 . 34669 1 510 . 1 . 1 44 44 ILE CG2 C 13 18.806 0.115 . 1 . . . . A 241 ILE CG2 . 34669 1 511 . 1 . 1 44 44 ILE CD1 C 13 14.653 0.119 . 1 . . . . A 241 ILE CD1 . 34669 1 512 . 1 . 1 44 44 ILE N N 15 119.889 0.037 . 1 . . . . A 241 ILE N . 34669 1 513 . 1 . 1 45 45 LEU H H 1 8.345 0.002 . 1 . . . . A 242 LEU H . 34669 1 514 . 1 . 1 45 45 LEU HA H 1 3.882 0.003 . 1 . . . . A 242 LEU HA . 34669 1 515 . 1 . 1 45 45 LEU HB2 H 1 1.818 0.006 . 2 . . . . A 242 LEU HB2 . 34669 1 516 . 1 . 1 45 45 LEU HB3 H 1 1.411 0.004 . 2 . . . . A 242 LEU HB3 . 34669 1 517 . 1 . 1 45 45 LEU HG H 1 1.684 0.007 . 1 . . . . A 242 LEU HG . 34669 1 518 . 1 . 1 45 45 LEU HD11 H 1 0.793 0.003 . 2 . . . . A 242 LEU HD11 . 34669 1 519 . 1 . 1 45 45 LEU HD12 H 1 0.793 0.003 . 2 . . . . A 242 LEU HD12 . 34669 1 520 . 1 . 1 45 45 LEU HD13 H 1 0.793 0.003 . 2 . . . . A 242 LEU HD13 . 34669 1 521 . 1 . 1 45 45 LEU HD21 H 1 0.789 0.003 . 2 . . . . A 242 LEU HD21 . 34669 1 522 . 1 . 1 45 45 LEU HD22 H 1 0.789 0.003 . 2 . . . . A 242 LEU HD22 . 34669 1 523 . 1 . 1 45 45 LEU HD23 H 1 0.789 0.003 . 2 . . . . A 242 LEU HD23 . 34669 1 524 . 1 . 1 45 45 LEU C C 13 179.077 0.000 . 1 . . . . A 242 LEU C . 34669 1 525 . 1 . 1 45 45 LEU CA C 13 58.334 0.209 . 1 . . . . A 242 LEU CA . 34669 1 526 . 1 . 1 45 45 LEU CB C 13 41.689 0.185 . 1 . . . . A 242 LEU CB . 34669 1 527 . 1 . 1 45 45 LEU CG C 13 27.441 0.197 . 1 . . . . A 242 LEU CG . 34669 1 528 . 1 . 1 45 45 LEU CD1 C 13 25.748 0.095 . 1 . . . . A 242 LEU CD1 . 34669 1 529 . 1 . 1 45 45 LEU CD2 C 13 24.094 0.120 . 1 . . . . A 242 LEU CD2 . 34669 1 530 . 1 . 1 45 45 LEU N N 15 120.209 0.022 . 1 . . . . A 242 LEU N . 34669 1 531 . 1 . 1 46 46 ALA H H 1 7.860 0.002 . 1 . . . . A 243 ALA H . 34669 1 532 . 1 . 1 46 46 ALA HA H 1 4.138 0.002 . 1 . . . . A 243 ALA HA . 34669 1 533 . 1 . 1 46 46 ALA HB1 H 1 1.493 0.003 . 1 . . . . A 243 ALA HB1 . 34669 1 534 . 1 . 1 46 46 ALA HB2 H 1 1.493 0.003 . 1 . . . . A 243 ALA HB2 . 34669 1 535 . 1 . 1 46 46 ALA HB3 H 1 1.493 0.003 . 1 . . . . A 243 ALA HB3 . 34669 1 536 . 1 . 1 46 46 ALA C C 13 180.114 0.000 . 1 . . . . A 243 ALA C . 34669 1 537 . 1 . 1 46 46 ALA CA C 13 54.883 0.193 . 1 . . . . A 243 ALA CA . 34669 1 538 . 1 . 1 46 46 ALA CB C 13 17.996 0.187 . 1 . . . . A 243 ALA CB . 34669 1 539 . 1 . 1 46 46 ALA N N 15 120.344 0.031 . 1 . . . . A 243 ALA N . 34669 1 540 . 1 . 1 47 47 MET H H 1 7.690 0.002 . 1 . . . . A 244 MET H . 34669 1 541 . 1 . 1 47 47 MET HA H 1 4.195 0.003 . 1 . . . . A 244 MET HA . 34669 1 542 . 1 . 1 47 47 MET HB2 H 1 2.348 0.015 . 2 . . . . A 244 MET HB2 . 34669 1 543 . 1 . 1 47 47 MET HB3 H 1 2.318 0.003 . 2 . . . . A 244 MET HB3 . 34669 1 544 . 1 . 1 47 47 MET HG2 H 1 2.801 0.004 . 2 . . . . A 244 MET HG2 . 34669 1 545 . 1 . 1 47 47 MET HG3 H 1 2.570 0.004 . 2 . . . . A 244 MET HG3 . 34669 1 546 . 1 . 1 47 47 MET HE1 H 1 2.115 0.003 . 1 . . . . A 244 MET HE1 . 34669 1 547 . 1 . 1 47 47 MET HE2 H 1 2.115 0.003 . 1 . . . . A 244 MET HE2 . 34669 1 548 . 1 . 1 47 47 MET HE3 H 1 2.115 0.003 . 1 . . . . A 244 MET HE3 . 34669 1 549 . 1 . 1 47 47 MET C C 13 178.563 0.000 . 1 . . . . A 244 MET C . 34669 1 550 . 1 . 1 47 47 MET CA C 13 58.586 0.217 . 1 . . . . A 244 MET CA . 34669 1 551 . 1 . 1 47 47 MET CB C 13 32.864 0.188 . 1 . . . . A 244 MET CB . 34669 1 552 . 1 . 1 47 47 MET CG C 13 32.343 0.112 . 1 . . . . A 244 MET CG . 34669 1 553 . 1 . 1 47 47 MET CE C 13 17.312 0.000 . 1 . . . . A 244 MET CE . 34669 1 554 . 1 . 1 47 47 MET N N 15 118.402 0.011 . 1 . . . . A 244 MET N . 34669 1 555 . 1 . 1 48 48 LEU H H 1 8.234 0.001 . 1 . . . . A 245 LEU H . 34669 1 556 . 1 . 1 48 48 LEU HA H 1 4.139 0.002 . 1 . . . . A 245 LEU HA . 34669 1 557 . 1 . 1 48 48 LEU HB2 H 1 1.789 0.002 . 2 . . . . A 245 LEU HB2 . 34669 1 558 . 1 . 1 48 48 LEU HB3 H 1 1.502 0.002 . 2 . . . . A 245 LEU HB3 . 34669 1 559 . 1 . 1 48 48 LEU HG H 1 1.869 0.005 . 1 . . . . A 245 LEU HG . 34669 1 560 . 1 . 1 48 48 LEU HD11 H 1 0.843 0.003 . 2 . . . . A 245 LEU HD11 . 34669 1 561 . 1 . 1 48 48 LEU HD12 H 1 0.843 0.003 . 2 . . . . A 245 LEU HD12 . 34669 1 562 . 1 . 1 48 48 LEU HD13 H 1 0.843 0.003 . 2 . . . . A 245 LEU HD13 . 34669 1 563 . 1 . 1 48 48 LEU HD21 H 1 0.855 0.003 . 2 . . . . A 245 LEU HD21 . 34669 1 564 . 1 . 1 48 48 LEU HD22 H 1 0.855 0.003 . 2 . . . . A 245 LEU HD22 . 34669 1 565 . 1 . 1 48 48 LEU HD23 H 1 0.855 0.003 . 2 . . . . A 245 LEU HD23 . 34669 1 566 . 1 . 1 48 48 LEU C C 13 178.153 0.000 . 1 . . . . A 245 LEU C . 34669 1 567 . 1 . 1 48 48 LEU CA C 13 57.083 0.217 . 1 . . . . A 245 LEU CA . 34669 1 568 . 1 . 1 48 48 LEU CB C 13 42.163 0.154 . 1 . . . . A 245 LEU CB . 34669 1 569 . 1 . 1 48 48 LEU CG C 13 26.919 0.125 . 1 . . . . A 245 LEU CG . 34669 1 570 . 1 . 1 48 48 LEU CD1 C 13 26.110 0.118 . 1 . . . . A 245 LEU CD1 . 34669 1 571 . 1 . 1 48 48 LEU CD2 C 13 23.021 0.000 . 1 . . . . A 245 LEU CD2 . 34669 1 572 . 1 . 1 48 48 LEU N N 15 119.702 0.059 . 1 . . . . A 245 LEU N . 34669 1 573 . 1 . 1 49 49 ASN H H 1 7.933 0.002 . 1 . . . . A 246 ASN H . 34669 1 574 . 1 . 1 49 49 ASN HA H 1 4.738 0.004 . 1 . . . . A 246 ASN HA . 34669 1 575 . 1 . 1 49 49 ASN HB2 H 1 2.876 0.003 . 2 . . . . A 246 ASN HB2 . 34669 1 576 . 1 . 1 49 49 ASN HB3 H 1 2.719 0.007 . 2 . . . . A 246 ASN HB3 . 34669 1 577 . 1 . 1 49 49 ASN C C 13 175.368 0.000 . 1 . . . . A 246 ASN C . 34669 1 578 . 1 . 1 49 49 ASN CA C 13 54.029 0.179 . 1 . . . . A 246 ASN CA . 34669 1 579 . 1 . 1 49 49 ASN CB C 13 39.214 0.204 . 1 . . . . A 246 ASN CB . 34669 1 580 . 1 . 1 49 49 ASN N N 15 116.094 0.010 . 1 . . . . A 246 ASN N . 34669 1 581 . 1 . 1 50 50 SER H H 1 7.766 0.003 . 1 . . . . A 247 SER H . 34669 1 582 . 1 . 1 50 50 SER HA H 1 4.445 0.003 . 1 . . . . A 247 SER HA . 34669 1 583 . 1 . 1 50 50 SER HB2 H 1 3.982 0.002 . 2 . . . . A 247 SER HB2 . 34669 1 584 . 1 . 1 50 50 SER C C 13 174.083 0.000 . 1 . . . . A 247 SER C . 34669 1 585 . 1 . 1 50 50 SER CA C 13 59.123 0.155 . 1 . . . . A 247 SER CA . 34669 1 586 . 1 . 1 50 50 SER CB C 13 63.774 0.028 . 1 . . . . A 247 SER CB . 34669 1 587 . 1 . 1 50 50 SER N N 15 114.862 0.012 . 1 . . . . A 247 SER N . 34669 1 588 . 1 . 1 51 51 ASN H H 1 8.168 0.002 . 1 . . . . A 248 ASN H . 34669 1 589 . 1 . 1 51 51 ASN HA H 1 4.799 0.002 . 1 . . . . A 248 ASN HA . 34669 1 590 . 1 . 1 51 51 ASN HB2 H 1 2.894 0.001 . 2 . . . . A 248 ASN HB2 . 34669 1 591 . 1 . 1 51 51 ASN HB3 H 1 2.778 0.003 . 2 . . . . A 248 ASN HB3 . 34669 1 592 . 1 . 1 51 51 ASN C C 13 175.063 0.000 . 1 . . . . A 248 ASN C . 34669 1 593 . 1 . 1 51 51 ASN CA C 13 53.327 0.170 . 1 . . . . A 248 ASN CA . 34669 1 594 . 1 . 1 51 51 ASN CB C 13 39.135 0.189 . 1 . . . . A 248 ASN CB . 34669 1 595 . 1 . 1 51 51 ASN N N 15 120.123 0.012 . 1 . . . . A 248 ASN N . 34669 1 596 . 1 . 1 52 52 SER H H 1 8.212 0.003 . 1 . . . . A 249 SER H . 34669 1 597 . 1 . 1 52 52 SER HA H 1 4.431 0.005 . 1 . . . . A 249 SER HA . 34669 1 598 . 1 . 1 52 52 SER HB2 H 1 3.919 0.000 . 2 . . . . A 249 SER HB2 . 34669 1 599 . 1 . 1 52 52 SER HB3 H 1 3.867 0.000 . 2 . . . . A 249 SER HB3 . 34669 1 600 . 1 . 1 52 52 SER C C 13 174.252 0.000 . 1 . . . . A 249 SER C . 34669 1 601 . 1 . 1 52 52 SER CA C 13 58.863 0.209 . 1 . . . . A 249 SER CA . 34669 1 602 . 1 . 1 52 52 SER CB C 13 63.743 0.044 . 1 . . . . A 249 SER CB . 34669 1 603 . 1 . 1 52 52 SER N N 15 115.939 0.013 . 1 . . . . A 249 SER N . 34669 1 604 . 1 . 1 53 53 ASP H H 1 8.386 0.002 . 1 . . . . A 250 ASP H . 34669 1 605 . 1 . 1 53 53 ASP HA H 1 4.635 0.003 . 1 . . . . A 250 ASP HA . 34669 1 606 . 1 . 1 53 53 ASP HB2 H 1 2.726 0.004 . 2 . . . . A 250 ASP HB2 . 34669 1 607 . 1 . 1 53 53 ASP HB3 H 1 2.678 0.002 . 2 . . . . A 250 ASP HB3 . 34669 1 608 . 1 . 1 53 53 ASP C C 13 176.750 0.000 . 1 . . . . A 250 ASP C . 34669 1 609 . 1 . 1 53 53 ASP CA C 13 54.865 0.149 . 1 . . . . A 250 ASP CA . 34669 1 610 . 1 . 1 53 53 ASP CB C 13 41.034 0.106 . 1 . . . . A 250 ASP CB . 34669 1 611 . 1 . 1 53 53 ASP N N 15 122.058 0.020 . 1 . . . . A 250 ASP N . 34669 1 stop_ save_