data_34678 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34678 _Entry.Title ; Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-16 _Entry.Accession_date 2021-11-16 _Entry.Last_release_date 2022-04-26 _Entry.Original_release_date 2022-04-26 _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 P. Barthe P. . . . 34678 2 M. Cohen-Gonsaud M. . . . 34678 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'UNKNOWN FUNCTION' . 34678 'Virulence factor' . 34678 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34678 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 222 34678 '15N chemical shifts' 97 34678 '1H chemical shifts' 647 34678 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 . . 2022-04-27 . original BMRB . 34678 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7QA5 'BMRB Entry Tracking System' 34678 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34678 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution structure of the C terminal domain of MgtC (PA4635) from Pseudomonas aeruginosa ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 P. Barthe P. . . . 34678 1 2 M. Cohen-Gonsaud M. . . . 34678 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34678 _Assembly.ID 1 _Assembly.Name 'Protein MgtC' _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 . . . . . . 34678 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34678 _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 ; GPHMASEAEQRYEVQIVCRA EDEIQVRSLMLHSLGSSDLR LQSLHSEDLDNPAKLEVRAE LLGTPEAPAQLERLVSRVSL EKGVSSVRWQVFELAAD ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10836.162 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first 4 residues (GPHM) are part of the Tag and are not part of the protein. ASEAEQRYEVQIVCRAEDEIQVRSLMLHSLGSSDLRLQSLHSEDLDNPAKLEVRAELLGTPEAPAQLERLVSRVSLEKGVSSVRWQVFELAAD ; _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 -3 GLY . 34678 1 2 -2 PRO . 34678 1 3 -1 HIS . 34678 1 4 0 MET . 34678 1 5 1 ALA . 34678 1 6 2 SER . 34678 1 7 3 GLU . 34678 1 8 4 ALA . 34678 1 9 5 GLU . 34678 1 10 6 GLN . 34678 1 11 7 ARG . 34678 1 12 8 TYR . 34678 1 13 9 GLU . 34678 1 14 10 VAL . 34678 1 15 11 GLN . 34678 1 16 12 ILE . 34678 1 17 13 VAL . 34678 1 18 14 CYS . 34678 1 19 15 ARG . 34678 1 20 16 ALA . 34678 1 21 17 GLU . 34678 1 22 18 ASP . 34678 1 23 19 GLU . 34678 1 24 20 ILE . 34678 1 25 21 GLN . 34678 1 26 22 VAL . 34678 1 27 23 ARG . 34678 1 28 24 SER . 34678 1 29 25 LEU . 34678 1 30 26 MET . 34678 1 31 27 LEU . 34678 1 32 28 HIS . 34678 1 33 29 SER . 34678 1 34 30 LEU . 34678 1 35 31 GLY . 34678 1 36 32 SER . 34678 1 37 33 SER . 34678 1 38 34 ASP . 34678 1 39 35 LEU . 34678 1 40 36 ARG . 34678 1 41 37 LEU . 34678 1 42 38 GLN . 34678 1 43 39 SER . 34678 1 44 40 LEU . 34678 1 45 41 HIS . 34678 1 46 42 SER . 34678 1 47 43 GLU . 34678 1 48 44 ASP . 34678 1 49 45 LEU . 34678 1 50 46 ASP . 34678 1 51 47 ASN . 34678 1 52 48 PRO . 34678 1 53 49 ALA . 34678 1 54 50 LYS . 34678 1 55 51 LEU . 34678 1 56 52 GLU . 34678 1 57 53 VAL . 34678 1 58 54 ARG . 34678 1 59 55 ALA . 34678 1 60 56 GLU . 34678 1 61 57 LEU . 34678 1 62 58 LEU . 34678 1 63 59 GLY . 34678 1 64 60 THR . 34678 1 65 61 PRO . 34678 1 66 62 GLU . 34678 1 67 63 ALA . 34678 1 68 64 PRO . 34678 1 69 65 ALA . 34678 1 70 66 GLN . 34678 1 71 67 LEU . 34678 1 72 68 GLU . 34678 1 73 69 ARG . 34678 1 74 70 LEU . 34678 1 75 71 VAL . 34678 1 76 72 SER . 34678 1 77 73 ARG . 34678 1 78 74 VAL . 34678 1 79 75 SER . 34678 1 80 76 LEU . 34678 1 81 77 GLU . 34678 1 82 78 LYS . 34678 1 83 79 GLY . 34678 1 84 80 VAL . 34678 1 85 81 SER . 34678 1 86 82 SER . 34678 1 87 83 VAL . 34678 1 88 84 ARG . 34678 1 89 85 TRP . 34678 1 90 86 GLN . 34678 1 91 87 VAL . 34678 1 92 88 PHE . 34678 1 93 89 GLU . 34678 1 94 90 LEU . 34678 1 95 91 ALA . 34678 1 96 92 ALA . 34678 1 97 93 ASP . 34678 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 34678 1 . PRO 2 2 34678 1 . HIS 3 3 34678 1 . MET 4 4 34678 1 . ALA 5 5 34678 1 . SER 6 6 34678 1 . GLU 7 7 34678 1 . ALA 8 8 34678 1 . GLU 9 9 34678 1 . GLN 10 10 34678 1 . ARG 11 11 34678 1 . TYR 12 12 34678 1 . GLU 13 13 34678 1 . VAL 14 14 34678 1 . GLN 15 15 34678 1 . ILE 16 16 34678 1 . VAL 17 17 34678 1 . CYS 18 18 34678 1 . ARG 19 19 34678 1 . ALA 20 20 34678 1 . GLU 21 21 34678 1 . ASP 22 22 34678 1 . GLU 23 23 34678 1 . ILE 24 24 34678 1 . GLN 25 25 34678 1 . VAL 26 26 34678 1 . ARG 27 27 34678 1 . SER 28 28 34678 1 . LEU 29 29 34678 1 . MET 30 30 34678 1 . LEU 31 31 34678 1 . HIS 32 32 34678 1 . SER 33 33 34678 1 . LEU 34 34 34678 1 . GLY 35 35 34678 1 . SER 36 36 34678 1 . SER 37 37 34678 1 . ASP 38 38 34678 1 . LEU 39 39 34678 1 . ARG 40 40 34678 1 . LEU 41 41 34678 1 . GLN 42 42 34678 1 . SER 43 43 34678 1 . LEU 44 44 34678 1 . HIS 45 45 34678 1 . SER 46 46 34678 1 . GLU 47 47 34678 1 . ASP 48 48 34678 1 . LEU 49 49 34678 1 . ASP 50 50 34678 1 . ASN 51 51 34678 1 . PRO 52 52 34678 1 . ALA 53 53 34678 1 . LYS 54 54 34678 1 . LEU 55 55 34678 1 . GLU 56 56 34678 1 . VAL 57 57 34678 1 . ARG 58 58 34678 1 . ALA 59 59 34678 1 . GLU 60 60 34678 1 . LEU 61 61 34678 1 . LEU 62 62 34678 1 . GLY 63 63 34678 1 . THR 64 64 34678 1 . PRO 65 65 34678 1 . GLU 66 66 34678 1 . ALA 67 67 34678 1 . PRO 68 68 34678 1 . ALA 69 69 34678 1 . GLN 70 70 34678 1 . LEU 71 71 34678 1 . GLU 72 72 34678 1 . ARG 73 73 34678 1 . LEU 74 74 34678 1 . VAL 75 75 34678 1 . SER 76 76 34678 1 . ARG 77 77 34678 1 . VAL 78 78 34678 1 . SER 79 79 34678 1 . LEU 80 80 34678 1 . GLU 81 81 34678 1 . LYS 82 82 34678 1 . GLY 83 83 34678 1 . VAL 84 84 34678 1 . SER 85 85 34678 1 . SER 86 86 34678 1 . VAL 87 87 34678 1 . ARG 88 88 34678 1 . TRP 89 89 34678 1 . GLN 90 90 34678 1 . VAL 91 91 34678 1 . PHE 92 92 34678 1 . GLU 93 93 34678 1 . LEU 94 94 34678 1 . ALA 95 95 34678 1 . ALA 96 96 34678 1 . ASP 97 97 34678 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 34678 _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 . 208964 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa 'ATCC 15692' . . . . . . . . . . PA4635 'ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1' 34678 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 34678 _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' . . 562 Escherichia coli . . . . . . . . . . 34678 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34678 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 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 PA4635 [U-15N] . . 1 $entity_1 . . 0.4 . . mM . . . . 34678 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34678 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34678 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34678 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34678 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 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 PA4635 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34678 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34678 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34678 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34678 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34678 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 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 PA4635 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34678 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34678 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34678 3 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34678 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34678 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N] PA4635, 25 mM sodium phosphate, 150 mM sodium chloride, 2 mM DTT, 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 PA4635 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34678 4 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34678 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34678 4 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 34678 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 34678 _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' 150 . mM 34678 1 pH 6.8 . pH 34678 1 pressure 1 . atm 34678 1 temperature 293 . K 34678 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34678 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.6.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34678 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34678 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34678 _Software.ID 2 _Software.Type . _Software.Name CINDY _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PAdilla, A.' . . 34678 2 'Padilla, A.' . . 34678 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34678 2 'peak picking' . 34678 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34678 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34678 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34678 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34678 _Software.ID 4 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34678 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34678 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 34678 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34678 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 34678 _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 III' . 800 . . . 34678 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 34678 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 34678 _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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34678 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34678 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34678 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34678 1 5 '2D DQF-COSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34678 1 6 '3D HCACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34678 1 7 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34678 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34678 1 9 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34678 1 10 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34678 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34678 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 34678 _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 internal indirect 0.25144953 . . . . . 34678 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 34678 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 34678 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 34678 _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 '3D 1H-15N NOESY' . . . 34678 1 2 '3D 1H-15N TOCSY' . . . 34678 1 3 '2D 1H-1H NOESY' . . . 34678 1 4 '2D 1H-1H TOCSY' . . . 34678 1 5 '2D DQF-COSY' . . . 34678 1 6 '3D HCACO' . . . 34678 1 7 '3D HNCO' . . . 34678 1 8 '3D CBCA(CO)NH' . . . 34678 1 9 '3D HNCACB' . . . 34678 1 10 '3D HNCA' . . . 34678 1 11 '3D 1H-13C NOESY aliphatic' . . . 34678 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 5 5 ALA HA H 1 4.324 0.000 . . . . . . A 1 ALA HA . 34678 1 2 . 1 . 1 5 5 ALA HB1 H 1 1.428 0.000 . . . . . . A 1 ALA HB1 . 34678 1 3 . 1 . 1 5 5 ALA HB2 H 1 1.428 0.000 . . . . . . A 1 ALA HB2 . 34678 1 4 . 1 . 1 5 5 ALA HB3 H 1 1.428 0.000 . . . . . . A 1 ALA HB3 . 34678 1 5 . 1 . 1 5 5 ALA C C 13 177.790 0.000 . . . . . . A 1 ALA C . 34678 1 6 . 1 . 1 5 5 ALA CA C 13 52.820 0.000 . . . . . . A 1 ALA CA . 34678 1 7 . 1 . 1 5 5 ALA CB C 13 19.200 0.000 . . . . . . A 1 ALA CB . 34678 1 8 . 1 . 1 5 5 ALA N N 15 125.990 0.000 . . . . . . A 1 ALA N . 34678 1 9 . 1 . 1 6 6 SER H H 1 8.342 0.000 . . . . . . A 2 SER H . 34678 1 10 . 1 . 1 6 6 SER HA H 1 4.443 0.000 . . . . . . A 2 SER HA . 34678 1 11 . 1 . 1 6 6 SER HB2 H 1 3.933 0.000 . . . . . . A 2 SER HB2 . 34678 1 12 . 1 . 1 6 6 SER HB3 H 1 3.896 0.000 . . . . . . A 2 SER HB3 . 34678 1 13 . 1 . 1 6 6 SER C C 13 174.680 0.000 . . . . . . A 2 SER C . 34678 1 14 . 1 . 1 6 6 SER CA C 13 58.400 0.000 . . . . . . A 2 SER CA . 34678 1 15 . 1 . 1 6 6 SER CB C 13 63.760 0.000 . . . . . . A 2 SER CB . 34678 1 16 . 1 . 1 6 6 SER N N 15 115.020 0.000 . . . . . . A 2 SER N . 34678 1 17 . 1 . 1 7 7 GLU H H 1 8.450 0.000 . . . . . . A 3 GLU H . 34678 1 18 . 1 . 1 7 7 GLU HA H 1 4.339 0.000 . . . . . . A 3 GLU HA . 34678 1 19 . 1 . 1 7 7 GLU HB2 H 1 2.123 0.000 . . . . . . A 3 GLU HB2 . 34678 1 20 . 1 . 1 7 7 GLU HB3 H 1 1.960 0.000 . . . . . . A 3 GLU HB3 . 34678 1 21 . 1 . 1 7 7 GLU HG2 H 1 2.311 0.000 . . . . . . A 3 GLU HG2 . 34678 1 22 . 1 . 1 7 7 GLU HG3 H 1 2.270 0.000 . . . . . . A 3 GLU HG3 . 34678 1 23 . 1 . 1 7 7 GLU C C 13 176.040 0.000 . . . . . . A 3 GLU C . 34678 1 24 . 1 . 1 7 7 GLU CA C 13 56.510 0.000 . . . . . . A 3 GLU CA . 34678 1 25 . 1 . 1 7 7 GLU CB C 13 30.320 0.000 . . . . . . A 3 GLU CB . 34678 1 26 . 1 . 1 7 7 GLU N N 15 122.410 0.000 . . . . . . A 3 GLU N . 34678 1 27 . 1 . 1 8 8 ALA H H 1 8.241 0.000 . . . . . . A 4 ALA H . 34678 1 28 . 1 . 1 8 8 ALA HA H 1 4.316 0.000 . . . . . . A 4 ALA HA . 34678 1 29 . 1 . 1 8 8 ALA HB1 H 1 1.401 0.000 . . . . . . A 4 ALA HB1 . 34678 1 30 . 1 . 1 8 8 ALA HB2 H 1 1.401 0.000 . . . . . . A 4 ALA HB2 . 34678 1 31 . 1 . 1 8 8 ALA HB3 H 1 1.401 0.000 . . . . . . A 4 ALA HB3 . 34678 1 32 . 1 . 1 8 8 ALA C C 13 177.130 0.000 . . . . . . A 4 ALA C . 34678 1 33 . 1 . 1 8 8 ALA CA C 13 52.490 0.000 . . . . . . A 4 ALA CA . 34678 1 34 . 1 . 1 8 8 ALA CB C 13 19.430 0.000 . . . . . . A 4 ALA CB . 34678 1 35 . 1 . 1 8 8 ALA N N 15 124.300 0.000 . . . . . . A 4 ALA N . 34678 1 36 . 1 . 1 9 9 GLU H H 1 8.158 0.000 . . . . . . A 5 GLU H . 34678 1 37 . 1 . 1 9 9 GLU HA H 1 4.584 0.000 . . . . . . A 5 GLU HA . 34678 1 38 . 1 . 1 9 9 GLU HB2 H 1 2.036 0.000 . . . . . . A 5 GLU HB2 . 34678 1 39 . 1 . 1 9 9 GLU HB3 H 1 1.937 0.000 . . . . . . A 5 GLU HB3 . 34678 1 40 . 1 . 1 9 9 GLU HG2 H 1 2.280 0.000 . . . . . . A 5 GLU HG2 . 34678 1 41 . 1 . 1 9 9 GLU HG3 H 1 2.142 0.000 . . . . . . A 5 GLU HG3 . 34678 1 42 . 1 . 1 9 9 GLU C C 13 175.600 0.000 . . . . . . A 5 GLU C . 34678 1 43 . 1 . 1 9 9 GLU CA C 13 56.120 0.000 . . . . . . A 5 GLU CA . 34678 1 44 . 1 . 1 9 9 GLU CB C 13 31.940 0.000 . . . . . . A 5 GLU CB . 34678 1 45 . 1 . 1 9 9 GLU N N 15 119.450 0.000 . . . . . . A 5 GLU N . 34678 1 46 . 1 . 1 10 10 GLN H H 1 8.580 0.000 . . . . . . A 6 GLN H . 34678 1 47 . 1 . 1 10 10 GLN HA H 1 4.525 0.000 . . . . . . A 6 GLN HA . 34678 1 48 . 1 . 1 10 10 GLN HB2 H 1 1.829 0.000 . . . . . . A 6 GLN HB2 . 34678 1 49 . 1 . 1 10 10 GLN HB3 H 1 1.797 0.000 . . . . . . A 6 GLN HB3 . 34678 1 50 . 1 . 1 10 10 GLN HG2 H 1 2.187 0.000 . . . . . . A 6 GLN HG2 . 34678 1 51 . 1 . 1 10 10 GLN HG3 H 1 2.061 0.000 . . . . . . A 6 GLN HG3 . 34678 1 52 . 1 . 1 10 10 GLN HE21 H 1 7.542 0.000 . . . . . . A 6 GLN HE21 . 34678 1 53 . 1 . 1 10 10 GLN HE22 H 1 6.894 0.000 . . . . . . A 6 GLN HE22 . 34678 1 54 . 1 . 1 10 10 GLN C C 13 173.280 0.000 . . . . . . A 6 GLN C . 34678 1 55 . 1 . 1 10 10 GLN CA C 13 54.650 0.000 . . . . . . A 6 GLN CA . 34678 1 56 . 1 . 1 10 10 GLN CB C 13 31.800 0.000 . . . . . . A 6 GLN CB . 34678 1 57 . 1 . 1 10 10 GLN N N 15 121.220 0.000 . . . . . . A 6 GLN N . 34678 1 58 . 1 . 1 10 10 GLN NE2 N 15 113.000 0.000 . . . . . . A 6 GLN NE2 . 34678 1 59 . 1 . 1 11 11 ARG H H 1 8.485 0.000 . . . . . . A 7 ARG H . 34678 1 60 . 1 . 1 11 11 ARG HA H 1 5.164 0.000 . . . . . . A 7 ARG HA . 34678 1 61 . 1 . 1 11 11 ARG HB2 H 1 1.797 0.000 . . . . . . A 7 ARG HB2 . 34678 1 62 . 1 . 1 11 11 ARG HB3 H 1 1.621 0.000 . . . . . . A 7 ARG HB3 . 34678 1 63 . 1 . 1 11 11 ARG HG2 H 1 1.576 0.000 . . . . . . A 7 ARG HG2 . 34678 1 64 . 1 . 1 11 11 ARG HG3 H 1 1.493 0.000 . . . . . . A 7 ARG HG3 . 34678 1 65 . 1 . 1 11 11 ARG C C 13 174.640 0.000 . . . . . . A 7 ARG C . 34678 1 66 . 1 . 1 11 11 ARG CA C 13 54.910 0.000 . . . . . . A 7 ARG CA . 34678 1 67 . 1 . 1 11 11 ARG N N 15 123.010 0.000 . . . . . . A 7 ARG N . 34678 1 68 . 1 . 1 12 12 TYR H H 1 9.269 0.000 . . . . . . A 8 TYR H . 34678 1 69 . 1 . 1 12 12 TYR HA H 1 5.400 0.000 . . . . . . A 8 TYR HA . 34678 1 70 . 1 . 1 12 12 TYR HB2 H 1 2.902 0.000 . . . . . . A 8 TYR HB2 . 34678 1 71 . 1 . 1 12 12 TYR HB3 H 1 2.521 0.000 . . . . . . A 8 TYR HB3 . 34678 1 72 . 1 . 1 12 12 TYR HD1 H 1 6.889 0.000 . . . . . . A 8 TYR HD1 . 34678 1 73 . 1 . 1 12 12 TYR HD2 H 1 6.889 0.000 . . . . . . A 8 TYR HD2 . 34678 1 74 . 1 . 1 12 12 TYR HE1 H 1 6.533 0.000 . . . . . . A 8 TYR HE1 . 34678 1 75 . 1 . 1 12 12 TYR HE2 H 1 6.533 0.000 . . . . . . A 8 TYR HE2 . 34678 1 76 . 1 . 1 12 12 TYR C C 13 174.650 0.000 . . . . . . A 8 TYR C . 34678 1 77 . 1 . 1 12 12 TYR CA C 13 56.870 0.000 . . . . . . A 8 TYR CA . 34678 1 78 . 1 . 1 12 12 TYR CB C 13 43.250 0.000 . . . . . . A 8 TYR CB . 34678 1 79 . 1 . 1 12 12 TYR N N 15 121.690 0.000 . . . . . . A 8 TYR N . 34678 1 80 . 1 . 1 13 13 GLU H H 1 9.431 0.000 . . . . . . A 9 GLU H . 34678 1 81 . 1 . 1 13 13 GLU HA H 1 5.692 0.000 . . . . . . A 9 GLU HA . 34678 1 82 . 1 . 1 13 13 GLU HB2 H 1 2.117 0.000 . . . . . . A 9 GLU HB2 . 34678 1 83 . 1 . 1 13 13 GLU HB3 H 1 2.011 0.000 . . . . . . A 9 GLU HB3 . 34678 1 84 . 1 . 1 13 13 GLU HG2 H 1 2.242 0.000 . . . . . . A 9 GLU HG2 . 34678 1 85 . 1 . 1 13 13 GLU HG3 H 1 2.152 0.000 . . . . . . A 9 GLU HG3 . 34678 1 86 . 1 . 1 13 13 GLU C C 13 175.520 0.000 . . . . . . A 9 GLU C . 34678 1 87 . 1 . 1 13 13 GLU CA C 13 54.520 0.000 . . . . . . A 9 GLU CA . 34678 1 88 . 1 . 1 13 13 GLU N N 15 121.420 0.000 . . . . . . A 9 GLU N . 34678 1 89 . 1 . 1 14 14 VAL H H 1 9.035 0.000 . . . . . . A 10 VAL H . 34678 1 90 . 1 . 1 14 14 VAL HA H 1 5.018 0.000 . . . . . . A 10 VAL HA . 34678 1 91 . 1 . 1 14 14 VAL HB H 1 1.844 0.000 . . . . . . A 10 VAL HB . 34678 1 92 . 1 . 1 14 14 VAL HG11 H 1 0.778 0.000 . . . . . . A 10 VAL HG11 . 34678 1 93 . 1 . 1 14 14 VAL HG12 H 1 0.778 0.000 . . . . . . A 10 VAL HG12 . 34678 1 94 . 1 . 1 14 14 VAL HG13 H 1 0.778 0.000 . . . . . . A 10 VAL HG13 . 34678 1 95 . 1 . 1 14 14 VAL HG21 H 1 0.893 0.000 . . . . . . A 10 VAL HG21 . 34678 1 96 . 1 . 1 14 14 VAL HG22 H 1 0.893 0.000 . . . . . . A 10 VAL HG22 . 34678 1 97 . 1 . 1 14 14 VAL HG23 H 1 0.893 0.000 . . . . . . A 10 VAL HG23 . 34678 1 98 . 1 . 1 14 14 VAL C C 13 174.750 0.000 . . . . . . A 10 VAL C . 34678 1 99 . 1 . 1 14 14 VAL CA C 13 60.850 0.000 . . . . . . A 10 VAL CA . 34678 1 100 . 1 . 1 14 14 VAL N N 15 124.240 0.000 . . . . . . A 10 VAL N . 34678 1 101 . 1 . 1 15 15 GLN H H 1 9.041 0.000 . . . . . . A 11 GLN H . 34678 1 102 . 1 . 1 15 15 GLN HA H 1 5.238 0.000 . . . . . . A 11 GLN HA . 34678 1 103 . 1 . 1 15 15 GLN HB2 H 1 1.984 0.000 . . . . . . A 11 GLN HB2 . 34678 1 104 . 1 . 1 15 15 GLN HB3 H 1 1.884 0.000 . . . . . . A 11 GLN HB3 . 34678 1 105 . 1 . 1 15 15 GLN HG2 H 1 2.160 0.000 . . . . . . A 11 GLN HG2 . 34678 1 106 . 1 . 1 15 15 GLN HG3 H 1 2.120 0.000 . . . . . . A 11 GLN HG3 . 34678 1 107 . 1 . 1 15 15 GLN HE21 H 1 7.905 0.000 . . . . . . A 11 GLN HE21 . 34678 1 108 . 1 . 1 15 15 GLN HE22 H 1 6.754 0.000 . . . . . . A 11 GLN HE22 . 34678 1 109 . 1 . 1 15 15 GLN C C 13 175.240 0.000 . . . . . . A 11 GLN C . 34678 1 110 . 1 . 1 15 15 GLN CA C 13 54.840 0.000 . . . . . . A 11 GLN CA . 34678 1 111 . 1 . 1 15 15 GLN CB C 13 31.050 0.000 . . . . . . A 11 GLN CB . 34678 1 112 . 1 . 1 15 15 GLN N N 15 125.140 0.000 . . . . . . A 11 GLN N . 34678 1 113 . 1 . 1 15 15 GLN NE2 N 15 111.600 0.000 . . . . . . A 11 GLN NE2 . 34678 1 114 . 1 . 1 16 16 ILE H H 1 9.551 0.000 . . . . . . A 12 ILE H . 34678 1 115 . 1 . 1 16 16 ILE HA H 1 4.894 0.000 . . . . . . A 12 ILE HA . 34678 1 116 . 1 . 1 16 16 ILE HB H 1 1.793 0.000 . . . . . . A 12 ILE HB . 34678 1 117 . 1 . 1 16 16 ILE HG12 H 1 1.582 0.000 . . . . . . A 12 ILE HG12 . 34678 1 118 . 1 . 1 16 16 ILE HG13 H 1 1.011 0.000 . . . . . . A 12 ILE HG13 . 34678 1 119 . 1 . 1 16 16 ILE HG21 H 1 0.896 0.000 . . . . . . A 12 ILE HG21 . 34678 1 120 . 1 . 1 16 16 ILE HG22 H 1 0.896 0.000 . . . . . . A 12 ILE HG22 . 34678 1 121 . 1 . 1 16 16 ILE HG23 H 1 0.896 0.000 . . . . . . A 12 ILE HG23 . 34678 1 122 . 1 . 1 16 16 ILE HD11 H 1 0.794 0.000 . . . . . . A 12 ILE HD11 . 34678 1 123 . 1 . 1 16 16 ILE HD12 H 1 0.794 0.000 . . . . . . A 12 ILE HD12 . 34678 1 124 . 1 . 1 16 16 ILE HD13 H 1 0.794 0.000 . . . . . . A 12 ILE HD13 . 34678 1 125 . 1 . 1 16 16 ILE C C 13 174.510 0.000 . . . . . . A 12 ILE C . 34678 1 126 . 1 . 1 16 16 ILE CA C 13 60.000 0.000 . . . . . . A 12 ILE CA . 34678 1 127 . 1 . 1 16 16 ILE N N 15 127.550 0.000 . . . . . . A 12 ILE N . 34678 1 128 . 1 . 1 17 17 VAL H H 1 8.793 0.000 . . . . . . A 13 VAL H . 34678 1 129 . 1 . 1 17 17 VAL HA H 1 5.126 0.000 . . . . . . A 13 VAL HA . 34678 1 130 . 1 . 1 17 17 VAL HB H 1 2.059 0.000 . . . . . . A 13 VAL HB . 34678 1 131 . 1 . 1 17 17 VAL HG11 H 1 0.920 0.000 . . . . . . A 13 VAL HG11 . 34678 1 132 . 1 . 1 17 17 VAL HG12 H 1 0.920 0.000 . . . . . . A 13 VAL HG12 . 34678 1 133 . 1 . 1 17 17 VAL HG13 H 1 0.920 0.000 . . . . . . A 13 VAL HG13 . 34678 1 134 . 1 . 1 17 17 VAL HG21 H 1 0.955 0.000 . . . . . . A 13 VAL HG21 . 34678 1 135 . 1 . 1 17 17 VAL HG22 H 1 0.955 0.000 . . . . . . A 13 VAL HG22 . 34678 1 136 . 1 . 1 17 17 VAL HG23 H 1 0.955 0.000 . . . . . . A 13 VAL HG23 . 34678 1 137 . 1 . 1 17 17 VAL C C 13 175.500 0.000 . . . . . . A 13 VAL C . 34678 1 138 . 1 . 1 17 17 VAL CA C 13 61.960 0.000 . . . . . . A 13 VAL CA . 34678 1 139 . 1 . 1 17 17 VAL N N 15 127.820 0.000 . . . . . . A 13 VAL N . 34678 1 140 . 1 . 1 18 18 CYS H H 1 9.386 0.000 . . . . . . A 14 CYS H . 34678 1 141 . 1 . 1 18 18 CYS HA H 1 5.765 0.000 . . . . . . A 14 CYS HA . 34678 1 142 . 1 . 1 18 18 CYS HB2 H 1 3.076 0.000 . . . . . . A 14 CYS HB2 . 34678 1 143 . 1 . 1 18 18 CYS HB3 H 1 2.496 0.000 . . . . . . A 14 CYS HB3 . 34678 1 144 . 1 . 1 18 18 CYS C C 13 172.720 0.000 . . . . . . A 14 CYS C . 34678 1 145 . 1 . 1 18 18 CYS CA C 13 54.520 0.000 . . . . . . A 14 CYS CA . 34678 1 146 . 1 . 1 18 18 CYS CB C 13 33.240 0.000 . . . . . . A 14 CYS CB . 34678 1 147 . 1 . 1 18 18 CYS N N 15 123.420 0.000 . . . . . . A 14 CYS N . 34678 1 148 . 1 . 1 19 19 ARG H H 1 8.284 0.000 . . . . . . A 15 ARG H . 34678 1 149 . 1 . 1 19 19 ARG HA H 1 4.624 0.000 . . . . . . A 15 ARG HA . 34678 1 150 . 1 . 1 19 19 ARG HB2 H 1 2.143 0.000 . . . . . . A 15 ARG HB2 . 34678 1 151 . 1 . 1 19 19 ARG HB3 H 1 2.006 0.000 . . . . . . A 15 ARG HB3 . 34678 1 152 . 1 . 1 19 19 ARG HG2 H 1 1.785 0.000 . . . . . . A 15 ARG HG2 . 34678 1 153 . 1 . 1 19 19 ARG HG3 H 1 1.726 0.000 . . . . . . A 15 ARG HG3 . 34678 1 154 . 1 . 1 19 19 ARG C C 13 178.950 0.000 . . . . . . A 15 ARG C . 34678 1 155 . 1 . 1 19 19 ARG CA C 13 57.520 0.000 . . . . . . A 15 ARG CA . 34678 1 156 . 1 . 1 19 19 ARG CB C 13 29.220 0.000 . . . . . . A 15 ARG CB . 34678 1 157 . 1 . 1 19 19 ARG N N 15 118.880 0.000 . . . . . . A 15 ARG N . 34678 1 158 . 1 . 1 20 20 ALA H H 1 8.586 0.000 . . . . . . A 16 ALA H . 34678 1 159 . 1 . 1 20 20 ALA HA H 1 3.907 0.000 . . . . . . A 16 ALA HA . 34678 1 160 . 1 . 1 20 20 ALA HB1 H 1 1.411 0.000 . . . . . . A 16 ALA HB1 . 34678 1 161 . 1 . 1 20 20 ALA HB2 H 1 1.411 0.000 . . . . . . A 16 ALA HB2 . 34678 1 162 . 1 . 1 20 20 ALA HB3 H 1 1.411 0.000 . . . . . . A 16 ALA HB3 . 34678 1 163 . 1 . 1 20 20 ALA C C 13 180.880 0.000 . . . . . . A 16 ALA C . 34678 1 164 . 1 . 1 20 20 ALA CA C 13 56.020 0.000 . . . . . . A 16 ALA CA . 34678 1 165 . 1 . 1 20 20 ALA CB C 13 17.740 0.000 . . . . . . A 16 ALA CB . 34678 1 166 . 1 . 1 20 20 ALA N N 15 127.160 0.000 . . . . . . A 16 ALA N . 34678 1 167 . 1 . 1 21 21 GLU H H 1 9.707 0.000 . . . . . . A 17 GLU H . 34678 1 168 . 1 . 1 21 21 GLU HA H 1 4.246 0.000 . . . . . . A 17 GLU HA . 34678 1 169 . 1 . 1 21 21 GLU HB2 H 1 2.032 0.000 . . . . . . A 17 GLU HB2 . 34678 1 170 . 1 . 1 21 21 GLU HB3 H 1 2.111 0.000 . . . . . . A 17 GLU HB3 . 34678 1 171 . 1 . 1 21 21 GLU HG2 H 1 2.276 0.000 . . . . . . A 17 GLU HG2 . 34678 1 172 . 1 . 1 21 21 GLU HG3 H 1 2.236 0.000 . . . . . . A 17 GLU HG3 . 34678 1 173 . 1 . 1 21 21 GLU C C 13 176.850 0.000 . . . . . . A 17 GLU C . 34678 1 174 . 1 . 1 21 21 GLU CA C 13 58.270 0.000 . . . . . . A 17 GLU CA . 34678 1 175 . 1 . 1 21 21 GLU CB C 13 28.740 0.000 . . . . . . A 17 GLU CB . 34678 1 176 . 1 . 1 21 21 GLU N N 15 115.980 0.000 . . . . . . A 17 GLU N . 34678 1 177 . 1 . 1 22 22 ASP H H 1 7.761 0.000 . . . . . . A 18 ASP H . 34678 1 178 . 1 . 1 22 22 ASP HA H 1 5.072 0.000 . . . . . . A 18 ASP HA . 34678 1 179 . 1 . 1 22 22 ASP HB2 H 1 2.521 0.000 . . . . . . A 18 ASP HB2 . 34678 1 180 . 1 . 1 22 22 ASP HB3 H 1 3.066 0.000 . . . . . . A 18 ASP HB3 . 34678 1 181 . 1 . 1 22 22 ASP C C 13 175.470 0.000 . . . . . . A 18 ASP C . 34678 1 182 . 1 . 1 22 22 ASP CA C 13 54.830 0.000 . . . . . . A 18 ASP CA . 34678 1 183 . 1 . 1 22 22 ASP CB C 13 42.680 0.000 . . . . . . A 18 ASP CB . 34678 1 184 . 1 . 1 22 22 ASP N N 15 119.230 0.000 . . . . . . A 18 ASP N . 34678 1 185 . 1 . 1 23 23 GLU H H 1 7.399 0.000 . . . . . . A 19 GLU H . 34678 1 186 . 1 . 1 23 23 GLU HA H 1 3.575 0.000 . . . . . . A 19 GLU HA . 34678 1 187 . 1 . 1 23 23 GLU HB2 H 1 2.090 0.000 . . . . . . A 19 GLU HB2 . 34678 1 188 . 1 . 1 23 23 GLU HB3 H 1 1.983 0.000 . . . . . . A 19 GLU HB3 . 34678 1 189 . 1 . 1 23 23 GLU HG2 H 1 2.274 0.000 . . . . . . A 19 GLU HG2 . 34678 1 190 . 1 . 1 23 23 GLU HG3 H 1 2.231 0.000 . . . . . . A 19 GLU HG3 . 34678 1 191 . 1 . 1 23 23 GLU C C 13 177.390 0.000 . . . . . . A 19 GLU C . 34678 1 192 . 1 . 1 23 23 GLU CA C 13 60.850 0.000 . . . . . . A 19 GLU CA . 34678 1 193 . 1 . 1 23 23 GLU CB C 13 29.650 0.000 . . . . . . A 19 GLU CB . 34678 1 194 . 1 . 1 23 23 GLU N N 15 121.120 0.000 . . . . . . A 19 GLU N . 34678 1 195 . 1 . 1 24 24 ILE H H 1 8.439 0.000 . . . . . . A 20 ILE H . 34678 1 196 . 1 . 1 24 24 ILE HA H 1 3.626 0.000 . . . . . . A 20 ILE HA . 34678 1 197 . 1 . 1 24 24 ILE HB H 1 1.929 0.000 . . . . . . A 20 ILE HB . 34678 1 198 . 1 . 1 24 24 ILE HG12 H 1 1.271 0.000 . . . . . . A 20 ILE HG12 . 34678 1 199 . 1 . 1 24 24 ILE HG13 H 1 1.590 0.000 . . . . . . A 20 ILE HG13 . 34678 1 200 . 1 . 1 24 24 ILE HG21 H 1 0.916 0.000 . . . . . . A 20 ILE HG21 . 34678 1 201 . 1 . 1 24 24 ILE HG22 H 1 0.916 0.000 . . . . . . A 20 ILE HG22 . 34678 1 202 . 1 . 1 24 24 ILE HG23 H 1 0.916 0.000 . . . . . . A 20 ILE HG23 . 34678 1 203 . 1 . 1 24 24 ILE HD11 H 1 0.855 0.000 . . . . . . A 20 ILE HD11 . 34678 1 204 . 1 . 1 24 24 ILE HD12 H 1 0.855 0.000 . . . . . . A 20 ILE HD12 . 34678 1 205 . 1 . 1 24 24 ILE HD13 H 1 0.855 0.000 . . . . . . A 20 ILE HD13 . 34678 1 206 . 1 . 1 24 24 ILE C C 13 178.790 0.000 . . . . . . A 20 ILE C . 34678 1 207 . 1 . 1 24 24 ILE CA C 13 64.930 0.000 . . . . . . A 20 ILE CA . 34678 1 208 . 1 . 1 24 24 ILE CB C 13 38.540 0.000 . . . . . . A 20 ILE CB . 34678 1 209 . 1 . 1 24 24 ILE N N 15 117.630 0.000 . . . . . . A 20 ILE N . 34678 1 210 . 1 . 1 25 25 GLN H H 1 8.045 0.000 . . . . . . A 21 GLN H . 34678 1 211 . 1 . 1 25 25 GLN HA H 1 4.193 0.000 . . . . . . A 21 GLN HA . 34678 1 212 . 1 . 1 25 25 GLN HB2 H 1 2.270 0.000 . . . . . . A 21 GLN HB2 . 34678 1 213 . 1 . 1 25 25 GLN HB3 H 1 2.136 0.000 . . . . . . A 21 GLN HB3 . 34678 1 214 . 1 . 1 25 25 GLN HG2 H 1 2.557 0.000 . . . . . . A 21 GLN HG2 . 34678 1 215 . 1 . 1 25 25 GLN HG3 H 1 2.322 0.000 . . . . . . A 21 GLN HG3 . 34678 1 216 . 1 . 1 25 25 GLN HE21 H 1 7.716 0.000 . . . . . . A 21 GLN HE21 . 34678 1 217 . 1 . 1 25 25 GLN HE22 H 1 6.801 0.000 . . . . . . A 21 GLN HE22 . 34678 1 218 . 1 . 1 25 25 GLN C C 13 178.980 0.000 . . . . . . A 21 GLN C . 34678 1 219 . 1 . 1 25 25 GLN CA C 13 58.960 0.000 . . . . . . A 21 GLN CA . 34678 1 220 . 1 . 1 25 25 GLN CB C 13 28.380 0.000 . . . . . . A 21 GLN CB . 34678 1 221 . 1 . 1 25 25 GLN N N 15 122.440 0.000 . . . . . . A 21 GLN N . 34678 1 222 . 1 . 1 25 25 GLN NE2 N 15 111.600 0.000 . . . . . . A 21 GLN NE2 . 34678 1 223 . 1 . 1 26 26 VAL H H 1 8.445 0.000 . . . . . . A 22 VAL H . 34678 1 224 . 1 . 1 26 26 VAL HA H 1 3.543 0.000 . . . . . . A 22 VAL HA . 34678 1 225 . 1 . 1 26 26 VAL HB H 1 2.132 0.000 . . . . . . A 22 VAL HB . 34678 1 226 . 1 . 1 26 26 VAL HG11 H 1 0.845 0.000 . . . . . . A 22 VAL HG11 . 34678 1 227 . 1 . 1 26 26 VAL HG12 H 1 0.845 0.000 . . . . . . A 22 VAL HG12 . 34678 1 228 . 1 . 1 26 26 VAL HG13 H 1 0.845 0.000 . . . . . . A 22 VAL HG13 . 34678 1 229 . 1 . 1 26 26 VAL HG21 H 1 0.968 0.000 . . . . . . A 22 VAL HG21 . 34678 1 230 . 1 . 1 26 26 VAL HG22 H 1 0.968 0.000 . . . . . . A 22 VAL HG22 . 34678 1 231 . 1 . 1 26 26 VAL HG23 H 1 0.968 0.000 . . . . . . A 22 VAL HG23 . 34678 1 232 . 1 . 1 26 26 VAL C C 13 177.960 0.000 . . . . . . A 22 VAL C . 34678 1 233 . 1 . 1 26 26 VAL CA C 13 67.220 0.000 . . . . . . A 22 VAL CA . 34678 1 234 . 1 . 1 26 26 VAL N N 15 121.350 0.000 . . . . . . A 22 VAL N . 34678 1 235 . 1 . 1 27 27 ARG H H 1 8.758 0.000 . . . . . . A 23 ARG H . 34678 1 236 . 1 . 1 27 27 ARG HA H 1 3.715 0.000 . . . . . . A 23 ARG HA . 34678 1 237 . 1 . 1 27 27 ARG HB2 H 1 1.901 0.000 . . . . . . A 23 ARG HB2 . 34678 1 238 . 1 . 1 27 27 ARG HB3 H 1 1.836 0.000 . . . . . . A 23 ARG HB3 . 34678 1 239 . 1 . 1 27 27 ARG HG2 H 1 1.366 0.000 . . . . . . A 23 ARG HG2 . 34678 1 240 . 1 . 1 27 27 ARG HG3 H 1 1.336 0.000 . . . . . . A 23 ARG HG3 . 34678 1 241 . 1 . 1 27 27 ARG C C 13 178.170 0.000 . . . . . . A 23 ARG C . 34678 1 242 . 1 . 1 27 27 ARG CA C 13 60.950 0.000 . . . . . . A 23 ARG CA . 34678 1 243 . 1 . 1 27 27 ARG N N 15 119.320 0.000 . . . . . . A 23 ARG N . 34678 1 244 . 1 . 1 28 28 SER H H 1 8.196 0.000 . . . . . . A 24 SER H . 34678 1 245 . 1 . 1 28 28 SER HA H 1 4.123 0.000 . . . . . . A 24 SER HA . 34678 1 246 . 1 . 1 28 28 SER HB2 H 1 4.038 0.000 . . . . . . A 24 SER HB2 . 34678 1 247 . 1 . 1 28 28 SER HB3 H 1 3.966 0.000 . . . . . . A 24 SER HB3 . 34678 1 248 . 1 . 1 28 28 SER C C 13 176.930 0.000 . . . . . . A 24 SER C . 34678 1 249 . 1 . 1 28 28 SER CA C 13 62.060 0.000 . . . . . . A 24 SER CA . 34678 1 250 . 1 . 1 28 28 SER CB C 13 62.740 0.000 . . . . . . A 24 SER CB . 34678 1 251 . 1 . 1 28 28 SER N N 15 113.270 0.000 . . . . . . A 24 SER N . 34678 1 252 . 1 . 1 29 29 LEU H H 1 8.167 0.000 . . . . . . A 25 LEU H . 34678 1 253 . 1 . 1 29 29 LEU HA H 1 4.212 0.000 . . . . . . A 25 LEU HA . 34678 1 254 . 1 . 1 29 29 LEU HB2 H 1 1.863 0.000 . . . . . . A 25 LEU HB2 . 34678 1 255 . 1 . 1 29 29 LEU HB3 H 1 1.722 0.000 . . . . . . A 25 LEU HB3 . 34678 1 256 . 1 . 1 29 29 LEU HG H 1 1.645 0.000 . . . . . . A 25 LEU HG . 34678 1 257 . 1 . 1 29 29 LEU HD11 H 1 0.909 0.000 . . . . . . A 25 LEU HD11 . 34678 1 258 . 1 . 1 29 29 LEU HD12 H 1 0.909 0.000 . . . . . . A 25 LEU HD12 . 34678 1 259 . 1 . 1 29 29 LEU HD13 H 1 0.909 0.000 . . . . . . A 25 LEU HD13 . 34678 1 260 . 1 . 1 29 29 LEU HD21 H 1 0.879 0.000 . . . . . . A 25 LEU HD21 . 34678 1 261 . 1 . 1 29 29 LEU HD22 H 1 0.879 0.000 . . . . . . A 25 LEU HD22 . 34678 1 262 . 1 . 1 29 29 LEU HD23 H 1 0.879 0.000 . . . . . . A 25 LEU HD23 . 34678 1 263 . 1 . 1 29 29 LEU CA C 13 58.040 0.000 . . . . . . A 25 LEU CA . 34678 1 264 . 1 . 1 29 29 LEU N N 15 123.140 0.000 . . . . . . A 25 LEU N . 34678 1 265 . 1 . 1 30 30 MET HA H 1 4.120 0.000 . . . . . . A 26 MET HA . 34678 1 266 . 1 . 1 30 30 MET HB2 H 1 1.950 0.000 . . . . . . A 26 MET HB2 . 34678 1 267 . 1 . 1 30 30 MET HB3 H 1 1.889 0.000 . . . . . . A 26 MET HB3 . 34678 1 268 . 1 . 1 30 30 MET HG2 H 1 2.190 0.000 . . . . . . A 26 MET HG2 . 34678 1 269 . 1 . 1 30 30 MET HG3 H 1 2.061 0.000 . . . . . . A 26 MET HG3 . 34678 1 270 . 1 . 1 30 30 MET HE1 H 1 1.789 0.000 . . . . . . A 26 MET HE1 . 34678 1 271 . 1 . 1 30 30 MET HE2 H 1 1.789 0.000 . . . . . . A 26 MET HE2 . 34678 1 272 . 1 . 1 30 30 MET HE3 H 1 1.789 0.000 . . . . . . A 26 MET HE3 . 34678 1 273 . 1 . 1 30 30 MET C C 13 177.100 0.000 . . . . . . A 26 MET C . 34678 1 274 . 1 . 1 30 30 MET CE C 13 17.070 0.000 . . . . . . A 26 MET CE . 34678 1 275 . 1 . 1 31 31 LEU H H 1 8.164 0.000 . . . . . . A 27 LEU H . 34678 1 276 . 1 . 1 31 31 LEU HA H 1 3.963 0.000 . . . . . . A 27 LEU HA . 34678 1 277 . 1 . 1 31 31 LEU HB2 H 1 1.732 0.000 . . . . . . A 27 LEU HB2 . 34678 1 278 . 1 . 1 31 31 LEU HB3 H 1 1.673 0.000 . . . . . . A 27 LEU HB3 . 34678 1 279 . 1 . 1 31 31 LEU HG H 1 1.366 0.000 . . . . . . A 27 LEU HG . 34678 1 280 . 1 . 1 31 31 LEU HD11 H 1 0.830 0.000 . . . . . . A 27 LEU HD11 . 34678 1 281 . 1 . 1 31 31 LEU HD12 H 1 0.830 0.000 . . . . . . A 27 LEU HD12 . 34678 1 282 . 1 . 1 31 31 LEU HD13 H 1 0.830 0.000 . . . . . . A 27 LEU HD13 . 34678 1 283 . 1 . 1 31 31 LEU HD21 H 1 0.801 0.000 . . . . . . A 27 LEU HD21 . 34678 1 284 . 1 . 1 31 31 LEU HD22 H 1 0.801 0.000 . . . . . . A 27 LEU HD22 . 34678 1 285 . 1 . 1 31 31 LEU HD23 H 1 0.801 0.000 . . . . . . A 27 LEU HD23 . 34678 1 286 . 1 . 1 31 31 LEU C C 13 175.160 0.000 . . . . . . A 27 LEU C . 34678 1 287 . 1 . 1 31 31 LEU CA C 13 57.930 0.000 . . . . . . A 27 LEU CA . 34678 1 288 . 1 . 1 31 31 LEU N N 15 117.680 0.000 . . . . . . A 27 LEU N . 34678 1 289 . 1 . 1 32 32 HIS H H 1 8.314 0.000 . . . . . . A 28 HIS H . 34678 1 290 . 1 . 1 32 32 HIS HA H 1 4.533 0.000 . . . . . . A 28 HIS HA . 34678 1 291 . 1 . 1 32 32 HIS HB2 H 1 3.278 0.000 . . . . . . A 28 HIS HB2 . 34678 1 292 . 1 . 1 32 32 HIS HB3 H 1 3.211 0.000 . . . . . . A 28 HIS HB3 . 34678 1 293 . 1 . 1 32 32 HIS HD2 H 1 7.087 0.000 . . . . . . A 28 HIS HD2 . 34678 1 294 . 1 . 1 32 32 HIS C C 13 177.950 0.000 . . . . . . A 28 HIS C . 34678 1 295 . 1 . 1 32 32 HIS CA C 13 58.590 0.000 . . . . . . A 28 HIS CA . 34678 1 296 . 1 . 1 32 32 HIS N N 15 117.270 0.000 . . . . . . A 28 HIS N . 34678 1 297 . 1 . 1 33 33 SER H H 1 8.137 0.000 . . . . . . A 29 SER H . 34678 1 298 . 1 . 1 33 33 SER HA H 1 4.402 0.000 . . . . . . A 29 SER HA . 34678 1 299 . 1 . 1 33 33 SER HB2 H 1 3.941 0.000 . . . . . . A 29 SER HB2 . 34678 1 300 . 1 . 1 33 33 SER HB3 H 1 3.909 0.000 . . . . . . A 29 SER HB3 . 34678 1 301 . 1 . 1 33 33 SER C C 13 175.390 0.000 . . . . . . A 29 SER C . 34678 1 302 . 1 . 1 33 33 SER CA C 13 60.860 0.000 . . . . . . A 29 SER CA . 34678 1 303 . 1 . 1 33 33 SER N N 15 115.300 0.000 . . . . . . A 29 SER N . 34678 1 304 . 1 . 1 34 34 LEU H H 1 7.950 0.000 . . . . . . A 30 LEU H . 34678 1 305 . 1 . 1 34 34 LEU HA H 1 4.230 0.000 . . . . . . A 30 LEU HA . 34678 1 306 . 1 . 1 34 34 LEU HB2 H 1 1.855 0.000 . . . . . . A 30 LEU HB2 . 34678 1 307 . 1 . 1 34 34 LEU HB3 H 1 1.717 0.000 . . . . . . A 30 LEU HB3 . 34678 1 308 . 1 . 1 34 34 LEU HG H 1 1.552 0.000 . . . . . . A 30 LEU HG . 34678 1 309 . 1 . 1 34 34 LEU HD11 H 1 0.826 0.000 . . . . . . A 30 LEU HD11 . 34678 1 310 . 1 . 1 34 34 LEU HD12 H 1 0.826 0.000 . . . . . . A 30 LEU HD12 . 34678 1 311 . 1 . 1 34 34 LEU HD13 H 1 0.826 0.000 . . . . . . A 30 LEU HD13 . 34678 1 312 . 1 . 1 34 34 LEU HD21 H 1 0.715 0.000 . . . . . . A 30 LEU HD21 . 34678 1 313 . 1 . 1 34 34 LEU HD22 H 1 0.715 0.000 . . . . . . A 30 LEU HD22 . 34678 1 314 . 1 . 1 34 34 LEU HD23 H 1 0.715 0.000 . . . . . . A 30 LEU HD23 . 34678 1 315 . 1 . 1 34 34 LEU C C 13 178.640 0.000 . . . . . . A 30 LEU C . 34678 1 316 . 1 . 1 34 34 LEU CA C 13 55.920 0.000 . . . . . . A 30 LEU CA . 34678 1 317 . 1 . 1 34 34 LEU CB C 13 41.390 0.000 . . . . . . A 30 LEU CB . 34678 1 318 . 1 . 1 34 34 LEU N N 15 121.060 0.000 . . . . . . A 30 LEU N . 34678 1 319 . 1 . 1 35 35 GLY H H 1 8.001 0.000 . . . . . . A 31 GLY H . 34678 1 320 . 1 . 1 35 35 GLY HA2 H 1 4.005 0.000 . . . . . . A 31 GLY HA2 . 34678 1 321 . 1 . 1 35 35 GLY HA3 H 1 3.967 0.000 . . . . . . A 31 GLY HA3 . 34678 1 322 . 1 . 1 35 35 GLY C C 13 174.450 0.000 . . . . . . A 31 GLY C . 34678 1 323 . 1 . 1 35 35 GLY CA C 13 46.450 0.000 . . . . . . A 31 GLY CA . 34678 1 324 . 1 . 1 35 35 GLY N N 15 107.440 0.000 . . . . . . A 31 GLY N . 34678 1 325 . 1 . 1 36 36 SER H H 1 7.870 0.000 . . . . . . A 32 SER H . 34678 1 326 . 1 . 1 36 36 SER HA H 1 4.699 0.000 . . . . . . A 32 SER HA . 34678 1 327 . 1 . 1 36 36 SER HB2 H 1 3.998 0.000 . . . . . . A 32 SER HB2 . 34678 1 328 . 1 . 1 36 36 SER HB3 H 1 3.862 0.000 . . . . . . A 32 SER HB3 . 34678 1 329 . 1 . 1 36 36 SER C C 13 174.070 0.000 . . . . . . A 32 SER C . 34678 1 330 . 1 . 1 36 36 SER CA C 13 57.460 0.000 . . . . . . A 32 SER CA . 34678 1 331 . 1 . 1 36 36 SER CB C 13 63.970 0.000 . . . . . . A 32 SER CB . 34678 1 332 . 1 . 1 36 36 SER N N 15 115.270 0.000 . . . . . . A 32 SER N . 34678 1 333 . 1 . 1 37 37 SER H H 1 8.219 0.000 . . . . . . A 33 SER H . 34678 1 334 . 1 . 1 37 37 SER HA H 1 4.541 0.000 . . . . . . A 33 SER HA . 34678 1 335 . 1 . 1 37 37 SER HB2 H 1 4.005 0.000 . . . . . . A 33 SER HB2 . 34678 1 336 . 1 . 1 37 37 SER HB3 H 1 3.867 0.000 . . . . . . A 33 SER HB3 . 34678 1 337 . 1 . 1 37 37 SER C C 13 173.630 0.000 . . . . . . A 33 SER C . 34678 1 338 . 1 . 1 37 37 SER CA C 13 58.500 0.000 . . . . . . A 33 SER CA . 34678 1 339 . 1 . 1 37 37 SER CB C 13 65.050 0.000 . . . . . . A 33 SER CB . 34678 1 340 . 1 . 1 37 37 SER N N 15 118.210 0.000 . . . . . . A 33 SER N . 34678 1 341 . 1 . 1 38 38 ASP H H 1 8.434 0.000 . . . . . . A 34 ASP H . 34678 1 342 . 1 . 1 38 38 ASP HA H 1 4.778 0.000 . . . . . . A 34 ASP HA . 34678 1 343 . 1 . 1 38 38 ASP HB2 H 1 2.517 0.000 . . . . . . A 34 ASP HB2 . 34678 1 344 . 1 . 1 38 38 ASP HB3 H 1 2.781 0.000 . . . . . . A 34 ASP HB3 . 34678 1 345 . 1 . 1 38 38 ASP C C 13 175.390 0.000 . . . . . . A 34 ASP C . 34678 1 346 . 1 . 1 38 38 ASP CA C 13 54.940 0.000 . . . . . . A 34 ASP CA . 34678 1 347 . 1 . 1 38 38 ASP CB C 13 41.540 0.000 . . . . . . A 34 ASP CB . 34678 1 348 . 1 . 1 38 38 ASP N N 15 118.820 0.000 . . . . . . A 34 ASP N . 34678 1 349 . 1 . 1 39 39 LEU H H 1 7.661 0.000 . . . . . . A 35 LEU H . 34678 1 350 . 1 . 1 39 39 LEU HA H 1 4.797 0.000 . . . . . . A 35 LEU HA . 34678 1 351 . 1 . 1 39 39 LEU HB2 H 1 1.608 0.000 . . . . . . A 35 LEU HB2 . 34678 1 352 . 1 . 1 39 39 LEU HB3 H 1 1.253 0.000 . . . . . . A 35 LEU HB3 . 34678 1 353 . 1 . 1 39 39 LEU HG H 1 1.509 0.000 . . . . . . A 35 LEU HG . 34678 1 354 . 1 . 1 39 39 LEU HD11 H 1 0.731 0.000 . . . . . . A 35 LEU HD11 . 34678 1 355 . 1 . 1 39 39 LEU HD12 H 1 0.731 0.000 . . . . . . A 35 LEU HD12 . 34678 1 356 . 1 . 1 39 39 LEU HD13 H 1 0.731 0.000 . . . . . . A 35 LEU HD13 . 34678 1 357 . 1 . 1 39 39 LEU HD21 H 1 0.582 0.000 . . . . . . A 35 LEU HD21 . 34678 1 358 . 1 . 1 39 39 LEU HD22 H 1 0.582 0.000 . . . . . . A 35 LEU HD22 . 34678 1 359 . 1 . 1 39 39 LEU HD23 H 1 0.582 0.000 . . . . . . A 35 LEU HD23 . 34678 1 360 . 1 . 1 39 39 LEU C C 13 175.670 0.000 . . . . . . A 35 LEU C . 34678 1 361 . 1 . 1 39 39 LEU CA C 13 54.800 0.000 . . . . . . A 35 LEU CA . 34678 1 362 . 1 . 1 39 39 LEU CB C 13 43.990 0.000 . . . . . . A 35 LEU CB . 34678 1 363 . 1 . 1 39 39 LEU N N 15 120.060 0.000 . . . . . . A 35 LEU N . 34678 1 364 . 1 . 1 40 40 ARG H H 1 8.904 0.000 . . . . . . A 36 ARG H . 34678 1 365 . 1 . 1 40 40 ARG HA H 1 4.701 0.000 . . . . . . A 36 ARG HA . 34678 1 366 . 1 . 1 40 40 ARG HB2 H 1 1.741 0.000 . . . . . . A 36 ARG HB2 . 34678 1 367 . 1 . 1 40 40 ARG HB3 H 1 1.619 0.000 . . . . . . A 36 ARG HB3 . 34678 1 368 . 1 . 1 40 40 ARG HG2 H 1 1.630 0.000 . . . . . . A 36 ARG HG2 . 34678 1 369 . 1 . 1 40 40 ARG HG3 H 1 1.601 0.000 . . . . . . A 36 ARG HG3 . 34678 1 370 . 1 . 1 40 40 ARG HD2 H 1 3.253 0.000 . . . . . . A 36 ARG HD2 . 34678 1 371 . 1 . 1 40 40 ARG HD3 H 1 3.248 0.000 . . . . . . A 36 ARG HD3 . 34678 1 372 . 1 . 1 40 40 ARG C C 13 176.500 0.000 . . . . . . A 36 ARG C . 34678 1 373 . 1 . 1 40 40 ARG CA C 13 54.450 0.000 . . . . . . A 36 ARG CA . 34678 1 374 . 1 . 1 40 40 ARG N N 15 120.780 0.000 . . . . . . A 36 ARG N . 34678 1 375 . 1 . 1 41 41 LEU H H 1 9.218 0.000 . . . . . . A 37 LEU H . 34678 1 376 . 1 . 1 41 41 LEU HA H 1 4.248 0.000 . . . . . . A 37 LEU HA . 34678 1 377 . 1 . 1 41 41 LEU HB2 H 1 1.915 0.000 . . . . . . A 37 LEU HB2 . 34678 1 378 . 1 . 1 41 41 LEU HB3 H 1 1.650 0.000 . . . . . . A 37 LEU HB3 . 34678 1 379 . 1 . 1 41 41 LEU HG H 1 1.379 0.000 . . . . . . A 37 LEU HG . 34678 1 380 . 1 . 1 41 41 LEU HD11 H 1 0.797 0.000 . . . . . . A 37 LEU HD11 . 34678 1 381 . 1 . 1 41 41 LEU HD12 H 1 0.797 0.000 . . . . . . A 37 LEU HD12 . 34678 1 382 . 1 . 1 41 41 LEU HD13 H 1 0.797 0.000 . . . . . . A 37 LEU HD13 . 34678 1 383 . 1 . 1 41 41 LEU HD21 H 1 0.846 0.000 . . . . . . A 37 LEU HD21 . 34678 1 384 . 1 . 1 41 41 LEU HD22 H 1 0.846 0.000 . . . . . . A 37 LEU HD22 . 34678 1 385 . 1 . 1 41 41 LEU HD23 H 1 0.846 0.000 . . . . . . A 37 LEU HD23 . 34678 1 386 . 1 . 1 41 41 LEU CA C 13 56.740 0.000 . . . . . . A 37 LEU CA . 34678 1 387 . 1 . 1 41 41 LEU N N 15 128.700 0.000 . . . . . . A 37 LEU N . 34678 1 388 . 1 . 1 42 42 GLN H H 1 9.595 0.000 . . . . . . A 38 GLN H . 34678 1 389 . 1 . 1 42 42 GLN HA H 1 4.524 0.000 . . . . . . A 38 GLN HA . 34678 1 390 . 1 . 1 42 42 GLN HB2 H 1 2.101 0.000 . . . . . . A 38 GLN HB2 . 34678 1 391 . 1 . 1 42 42 GLN HB3 H 1 2.031 0.000 . . . . . . A 38 GLN HB3 . 34678 1 392 . 1 . 1 42 42 GLN HG2 H 1 2.301 0.000 . . . . . . A 38 GLN HG2 . 34678 1 393 . 1 . 1 42 42 GLN HG3 H 1 2.261 0.000 . . . . . . A 38 GLN HG3 . 34678 1 394 . 1 . 1 42 42 GLN HE21 H 1 7.144 0.000 . . . . . . A 38 GLN HE21 . 34678 1 395 . 1 . 1 42 42 GLN HE22 H 1 6.935 0.000 . . . . . . A 38 GLN HE22 . 34678 1 396 . 1 . 1 42 42 GLN N N 15 126.440 0.000 . . . . . . A 38 GLN N . 34678 1 397 . 1 . 1 42 42 GLN NE2 N 15 113.800 0.000 . . . . . . A 38 GLN NE2 . 34678 1 398 . 1 . 1 43 43 SER H H 1 7.720 0.000 . . . . . . A 39 SER H . 34678 1 399 . 1 . 1 43 43 SER HA H 1 4.585 0.000 . . . . . . A 39 SER HA . 34678 1 400 . 1 . 1 43 43 SER HB2 H 1 3.900 0.000 . . . . . . A 39 SER HB2 . 34678 1 401 . 1 . 1 43 43 SER HB3 H 1 3.800 0.000 . . . . . . A 39 SER HB3 . 34678 1 402 . 1 . 1 43 43 SER N N 15 110.340 0.000 . . . . . . A 39 SER N . 34678 1 403 . 1 . 1 44 44 LEU H H 1 8.493 0.000 . . . . . . A 40 LEU H . 34678 1 404 . 1 . 1 44 44 LEU HA H 1 5.258 0.000 . . . . . . A 40 LEU HA . 34678 1 405 . 1 . 1 44 44 LEU HB2 H 1 1.759 0.000 . . . . . . A 40 LEU HB2 . 34678 1 406 . 1 . 1 44 44 LEU HB3 H 1 1.472 0.000 . . . . . . A 40 LEU HB3 . 34678 1 407 . 1 . 1 44 44 LEU HG H 1 1.600 0.000 . . . . . . A 40 LEU HG . 34678 1 408 . 1 . 1 44 44 LEU HD11 H 1 0.860 0.000 . . . . . . A 40 LEU HD11 . 34678 1 409 . 1 . 1 44 44 LEU HD12 H 1 0.860 0.000 . . . . . . A 40 LEU HD12 . 34678 1 410 . 1 . 1 44 44 LEU HD13 H 1 0.860 0.000 . . . . . . A 40 LEU HD13 . 34678 1 411 . 1 . 1 44 44 LEU HD21 H 1 0.819 0.000 . . . . . . A 40 LEU HD21 . 34678 1 412 . 1 . 1 44 44 LEU HD22 H 1 0.819 0.000 . . . . . . A 40 LEU HD22 . 34678 1 413 . 1 . 1 44 44 LEU HD23 H 1 0.819 0.000 . . . . . . A 40 LEU HD23 . 34678 1 414 . 1 . 1 44 44 LEU N N 15 124.090 0.000 . . . . . . A 40 LEU N . 34678 1 415 . 1 . 1 45 45 HIS H H 1 9.069 0.000 . . . . . . A 41 HIS H . 34678 1 416 . 1 . 1 45 45 HIS HA H 1 5.048 0.000 . . . . . . A 41 HIS HA . 34678 1 417 . 1 . 1 45 45 HIS HB2 H 1 3.263 0.000 . . . . . . A 41 HIS HB2 . 34678 1 418 . 1 . 1 45 45 HIS HB3 H 1 3.187 0.000 . . . . . . A 41 HIS HB3 . 34678 1 419 . 1 . 1 45 45 HIS C C 13 172.790 0.000 . . . . . . A 41 HIS C . 34678 1 420 . 1 . 1 45 45 HIS CA C 13 55.000 0.000 . . . . . . A 41 HIS CA . 34678 1 421 . 1 . 1 45 45 HIS N N 15 123.070 0.000 . . . . . . A 41 HIS N . 34678 1 422 . 1 . 1 46 46 SER H H 1 8.643 0.000 . . . . . . A 42 SER H . 34678 1 423 . 1 . 1 46 46 SER HA H 1 5.595 0.000 . . . . . . A 42 SER HA . 34678 1 424 . 1 . 1 46 46 SER HB2 H 1 3.738 0.000 . . . . . . A 42 SER HB2 . 34678 1 425 . 1 . 1 46 46 SER HB3 H 1 3.709 0.000 . . . . . . A 42 SER HB3 . 34678 1 426 . 1 . 1 46 46 SER C C 13 173.310 0.000 . . . . . . A 42 SER C . 34678 1 427 . 1 . 1 46 46 SER CA C 13 56.780 0.000 . . . . . . A 42 SER CA . 34678 1 428 . 1 . 1 46 46 SER N N 15 118.540 0.000 . . . . . . A 42 SER N . 34678 1 429 . 1 . 1 47 47 GLU H H 1 9.206 0.000 . . . . . . A 43 GLU H . 34678 1 430 . 1 . 1 47 47 GLU HA H 1 4.670 0.000 . . . . . . A 43 GLU HA . 34678 1 431 . 1 . 1 47 47 GLU HB2 H 1 2.100 0.000 . . . . . . A 43 GLU HB2 . 34678 1 432 . 1 . 1 47 47 GLU HB3 H 1 1.871 0.000 . . . . . . A 43 GLU HB3 . 34678 1 433 . 1 . 1 47 47 GLU HG2 H 1 2.282 0.000 . . . . . . A 43 GLU HG2 . 34678 1 434 . 1 . 1 47 47 GLU HG3 H 1 2.144 0.000 . . . . . . A 43 GLU HG3 . 34678 1 435 . 1 . 1 47 47 GLU C C 13 176.530 0.000 . . . . . . A 43 GLU C . 34678 1 436 . 1 . 1 47 47 GLU CA C 13 54.770 0.000 . . . . . . A 43 GLU CA . 34678 1 437 . 1 . 1 47 47 GLU N N 15 123.180 0.000 . . . . . . A 43 GLU N . 34678 1 438 . 1 . 1 48 48 ASP H H 1 8.499 0.000 . . . . . . A 44 ASP H . 34678 1 439 . 1 . 1 48 48 ASP HA H 1 4.668 0.000 . . . . . . A 44 ASP HA . 34678 1 440 . 1 . 1 48 48 ASP HB2 H 1 2.735 0.000 . . . . . . A 44 ASP HB2 . 34678 1 441 . 1 . 1 48 48 ASP HB3 H 1 2.578 0.000 . . . . . . A 44 ASP HB3 . 34678 1 442 . 1 . 1 48 48 ASP C C 13 176.550 0.000 . . . . . . A 44 ASP C . 34678 1 443 . 1 . 1 48 48 ASP CA C 13 54.910 0.000 . . . . . . A 44 ASP CA . 34678 1 444 . 1 . 1 48 48 ASP CB C 13 41.520 0.000 . . . . . . A 44 ASP CB . 34678 1 445 . 1 . 1 48 48 ASP N N 15 122.500 0.000 . . . . . . A 44 ASP N . 34678 1 446 . 1 . 1 49 49 LEU H H 1 8.514 0.000 . . . . . . A 45 LEU H . 34678 1 447 . 1 . 1 49 49 LEU HA H 1 4.636 0.000 . . . . . . A 45 LEU HA . 34678 1 448 . 1 . 1 49 49 LEU HB2 H 1 1.700 0.000 . . . . . . A 45 LEU HB2 . 34678 1 449 . 1 . 1 49 49 LEU HB3 H 1 1.650 0.000 . . . . . . A 45 LEU HB3 . 34678 1 450 . 1 . 1 49 49 LEU HG H 1 1.600 0.000 . . . . . . A 45 LEU HG . 34678 1 451 . 1 . 1 49 49 LEU HD11 H 1 0.888 0.000 . . . . . . A 45 LEU HD11 . 34678 1 452 . 1 . 1 49 49 LEU HD12 H 1 0.888 0.000 . . . . . . A 45 LEU HD12 . 34678 1 453 . 1 . 1 49 49 LEU HD13 H 1 0.888 0.000 . . . . . . A 45 LEU HD13 . 34678 1 454 . 1 . 1 49 49 LEU HD21 H 1 0.832 0.000 . . . . . . A 45 LEU HD21 . 34678 1 455 . 1 . 1 49 49 LEU HD22 H 1 0.832 0.000 . . . . . . A 45 LEU HD22 . 34678 1 456 . 1 . 1 49 49 LEU HD23 H 1 0.832 0.000 . . . . . . A 45 LEU HD23 . 34678 1 457 . 1 . 1 49 49 LEU C C 13 176.710 0.000 . . . . . . A 45 LEU C . 34678 1 458 . 1 . 1 49 49 LEU CA C 13 53.670 0.000 . . . . . . A 45 LEU CA . 34678 1 459 . 1 . 1 49 49 LEU CB C 13 43.140 0.000 . . . . . . A 45 LEU CB . 34678 1 460 . 1 . 1 49 49 LEU N N 15 122.550 0.000 . . . . . . A 45 LEU N . 34678 1 461 . 1 . 1 50 50 ASP H H 1 8.401 0.000 . . . . . . A 46 ASP H . 34678 1 462 . 1 . 1 50 50 ASP HA H 1 4.311 0.000 . . . . . . A 46 ASP HA . 34678 1 463 . 1 . 1 50 50 ASP HB2 H 1 2.712 0.000 . . . . . . A 46 ASP HB2 . 34678 1 464 . 1 . 1 50 50 ASP HB3 H 1 2.669 0.000 . . . . . . A 46 ASP HB3 . 34678 1 465 . 1 . 1 50 50 ASP C C 13 176.040 0.000 . . . . . . A 46 ASP C . 34678 1 466 . 1 . 1 50 50 ASP CA C 13 56.120 0.000 . . . . . . A 46 ASP CA . 34678 1 467 . 1 . 1 50 50 ASP CB C 13 40.270 0.000 . . . . . . A 46 ASP CB . 34678 1 468 . 1 . 1 50 50 ASP N N 15 118.860 0.000 . . . . . . A 46 ASP N . 34678 1 469 . 1 . 1 51 51 ASN H H 1 7.378 0.000 . . . . . . A 47 ASN H . 34678 1 470 . 1 . 1 51 51 ASN HA H 1 5.043 0.000 . . . . . . A 47 ASN HA . 34678 1 471 . 1 . 1 51 51 ASN HB2 H 1 2.893 0.000 . . . . . . A 47 ASN HB2 . 34678 1 472 . 1 . 1 51 51 ASN HB3 H 1 2.793 0.000 . . . . . . A 47 ASN HB3 . 34678 1 473 . 1 . 1 51 51 ASN HD21 H 1 7.837 0.000 . . . . . . A 47 ASN HD21 . 34678 1 474 . 1 . 1 51 51 ASN HD22 H 1 7.118 0.000 . . . . . . A 47 ASN HD22 . 34678 1 475 . 1 . 1 51 51 ASN CA C 13 50.140 0.000 . . . . . . A 47 ASN CA . 34678 1 476 . 1 . 1 51 51 ASN N N 15 116.330 0.000 . . . . . . A 47 ASN N . 34678 1 477 . 1 . 1 51 51 ASN ND2 N 15 112.700 0.000 . . . . . . A 47 ASN ND2 . 34678 1 478 . 1 . 1 52 52 PRO HA H 1 4.563 0.000 . . . . . . A 48 PRO HA . 34678 1 479 . 1 . 1 52 52 PRO HB2 H 1 2.355 0.000 . . . . . . A 48 PRO HB2 . 34678 1 480 . 1 . 1 52 52 PRO HB3 H 1 2.000 0.000 . . . . . . A 48 PRO HB3 . 34678 1 481 . 1 . 1 52 52 PRO HG2 H 1 2.070 0.000 . . . . . . A 48 PRO HG2 . 34678 1 482 . 1 . 1 52 52 PRO HG3 H 1 2.060 0.000 . . . . . . A 48 PRO HG3 . 34678 1 483 . 1 . 1 52 52 PRO HD2 H 1 3.958 0.000 . . . . . . A 48 PRO HD2 . 34678 1 484 . 1 . 1 52 52 PRO HD3 H 1 3.843 0.000 . . . . . . A 48 PRO HD3 . 34678 1 485 . 1 . 1 52 52 PRO C C 13 178.000 0.000 . . . . . . A 48 PRO C . 34678 1 486 . 1 . 1 52 52 PRO CA C 13 64.240 0.000 . . . . . . A 48 PRO CA . 34678 1 487 . 1 . 1 52 52 PRO CB C 13 31.920 0.000 . . . . . . A 48 PRO CB . 34678 1 488 . 1 . 1 53 53 ALA H H 1 8.073 0.000 . . . . . . A 49 ALA H . 34678 1 489 . 1 . 1 53 53 ALA HA H 1 4.383 0.000 . . . . . . A 49 ALA HA . 34678 1 490 . 1 . 1 53 53 ALA HB1 H 1 1.484 0.000 . . . . . . A 49 ALA HB1 . 34678 1 491 . 1 . 1 53 53 ALA HB2 H 1 1.484 0.000 . . . . . . A 49 ALA HB2 . 34678 1 492 . 1 . 1 53 53 ALA HB3 H 1 1.484 0.000 . . . . . . A 49 ALA HB3 . 34678 1 493 . 1 . 1 53 53 ALA C C 13 178.240 0.000 . . . . . . A 49 ALA C . 34678 1 494 . 1 . 1 53 53 ALA CA C 13 56.280 0.000 . . . . . . A 49 ALA CA . 34678 1 495 . 1 . 1 53 53 ALA CB C 13 19.380 0.000 . . . . . . A 49 ALA CB . 34678 1 496 . 1 . 1 53 53 ALA N N 15 119.750 0.000 . . . . . . A 49 ALA N . 34678 1 497 . 1 . 1 54 54 LYS H H 1 8.030 0.000 . . . . . . A 50 LYS H . 34678 1 498 . 1 . 1 54 54 LYS HA H 1 5.050 0.000 . . . . . . A 50 LYS HA . 34678 1 499 . 1 . 1 54 54 LYS HB2 H 1 1.659 0.000 . . . . . . A 50 LYS HB2 . 34678 1 500 . 1 . 1 54 54 LYS HB3 H 1 1.765 0.000 . . . . . . A 50 LYS HB3 . 34678 1 501 . 1 . 1 54 54 LYS HG2 H 1 1.329 0.000 . . . . . . A 50 LYS HG2 . 34678 1 502 . 1 . 1 54 54 LYS HG3 H 1 1.223 0.000 . . . . . . A 50 LYS HG3 . 34678 1 503 . 1 . 1 54 54 LYS HD2 H 1 1.558 0.000 . . . . . . A 50 LYS HD2 . 34678 1 504 . 1 . 1 54 54 LYS HD3 H 1 1.540 0.000 . . . . . . A 50 LYS HD3 . 34678 1 505 . 1 . 1 54 54 LYS HE2 H 1 2.854 0.000 . . . . . . A 50 LYS HE2 . 34678 1 506 . 1 . 1 54 54 LYS HE3 H 1 2.854 0.000 . . . . . . A 50 LYS HE3 . 34678 1 507 . 1 . 1 54 54 LYS CA C 13 54.860 0.000 . . . . . . A 50 LYS CA . 34678 1 508 . 1 . 1 54 54 LYS N N 15 119.310 0.000 . . . . . . A 50 LYS N . 34678 1 509 . 1 . 1 55 55 LEU H H 1 8.985 0.000 . . . . . . A 51 LEU H . 34678 1 510 . 1 . 1 55 55 LEU HA H 1 4.747 0.000 . . . . . . A 51 LEU HA . 34678 1 511 . 1 . 1 55 55 LEU HB2 H 1 1.672 0.000 . . . . . . A 51 LEU HB2 . 34678 1 512 . 1 . 1 55 55 LEU HB3 H 1 1.469 0.000 . . . . . . A 51 LEU HB3 . 34678 1 513 . 1 . 1 55 55 LEU HG H 1 1.450 0.000 . . . . . . A 51 LEU HG . 34678 1 514 . 1 . 1 55 55 LEU HD11 H 1 0.853 0.000 . . . . . . A 51 LEU HD11 . 34678 1 515 . 1 . 1 55 55 LEU HD12 H 1 0.853 0.000 . . . . . . A 51 LEU HD12 . 34678 1 516 . 1 . 1 55 55 LEU HD13 H 1 0.853 0.000 . . . . . . A 51 LEU HD13 . 34678 1 517 . 1 . 1 55 55 LEU HD21 H 1 0.800 0.000 . . . . . . A 51 LEU HD21 . 34678 1 518 . 1 . 1 55 55 LEU HD22 H 1 0.800 0.000 . . . . . . A 51 LEU HD22 . 34678 1 519 . 1 . 1 55 55 LEU HD23 H 1 0.800 0.000 . . . . . . A 51 LEU HD23 . 34678 1 520 . 1 . 1 55 55 LEU C C 13 176.620 0.000 . . . . . . A 51 LEU C . 34678 1 521 . 1 . 1 55 55 LEU CA C 13 56.310 0.000 . . . . . . A 51 LEU CA . 34678 1 522 . 1 . 1 55 55 LEU N N 15 119.990 0.000 . . . . . . A 51 LEU N . 34678 1 523 . 1 . 1 56 56 GLU H H 1 8.604 0.000 . . . . . . A 52 GLU H . 34678 1 524 . 1 . 1 56 56 GLU HA H 1 5.490 0.000 . . . . . . A 52 GLU HA . 34678 1 525 . 1 . 1 56 56 GLU HB2 H 1 2.044 0.000 . . . . . . A 52 GLU HB2 . 34678 1 526 . 1 . 1 56 56 GLU HB3 H 1 1.889 0.000 . . . . . . A 52 GLU HB3 . 34678 1 527 . 1 . 1 56 56 GLU HG2 H 1 2.300 0.000 . . . . . . A 52 GLU HG2 . 34678 1 528 . 1 . 1 56 56 GLU HG3 H 1 2.200 0.000 . . . . . . A 52 GLU HG3 . 34678 1 529 . 1 . 1 56 56 GLU C C 13 175.620 0.000 . . . . . . A 52 GLU C . 34678 1 530 . 1 . 1 56 56 GLU CA C 13 54.020 0.000 . . . . . . A 52 GLU CA . 34678 1 531 . 1 . 1 56 56 GLU CB C 13 33.200 0.000 . . . . . . A 52 GLU CB . 34678 1 532 . 1 . 1 56 56 GLU N N 15 120.230 0.000 . . . . . . A 52 GLU N . 34678 1 533 . 1 . 1 57 57 VAL H H 1 9.672 0.000 . . . . . . A 53 VAL H . 34678 1 534 . 1 . 1 57 57 VAL HA H 1 4.527 0.000 . . . . . . A 53 VAL HA . 34678 1 535 . 1 . 1 57 57 VAL HB H 1 1.931 0.000 . . . . . . A 53 VAL HB . 34678 1 536 . 1 . 1 57 57 VAL HG11 H 1 0.914 0.000 . . . . . . A 53 VAL HG11 . 34678 1 537 . 1 . 1 57 57 VAL HG12 H 1 0.914 0.000 . . . . . . A 53 VAL HG12 . 34678 1 538 . 1 . 1 57 57 VAL HG13 H 1 0.914 0.000 . . . . . . A 53 VAL HG13 . 34678 1 539 . 1 . 1 57 57 VAL HG21 H 1 0.762 0.000 . . . . . . A 53 VAL HG21 . 34678 1 540 . 1 . 1 57 57 VAL HG22 H 1 0.762 0.000 . . . . . . A 53 VAL HG22 . 34678 1 541 . 1 . 1 57 57 VAL HG23 H 1 0.762 0.000 . . . . . . A 53 VAL HG23 . 34678 1 542 . 1 . 1 57 57 VAL C C 13 174.850 0.000 . . . . . . A 53 VAL C . 34678 1 543 . 1 . 1 57 57 VAL CA C 13 61.570 0.000 . . . . . . A 53 VAL CA . 34678 1 544 . 1 . 1 57 57 VAL N N 15 128.280 0.000 . . . . . . A 53 VAL N . 34678 1 545 . 1 . 1 58 58 ARG H H 1 9.164 0.000 . . . . . . A 54 ARG H . 34678 1 546 . 1 . 1 58 58 ARG HA H 1 5.514 0.000 . . . . . . A 54 ARG HA . 34678 1 547 . 1 . 1 58 58 ARG HB2 H 1 1.742 0.000 . . . . . . A 54 ARG HB2 . 34678 1 548 . 1 . 1 58 58 ARG HB3 H 1 1.457 0.000 . . . . . . A 54 ARG HB3 . 34678 1 549 . 1 . 1 58 58 ARG HG2 H 1 1.567 0.000 . . . . . . A 54 ARG HG2 . 34678 1 550 . 1 . 1 58 58 ARG HG3 H 1 1.348 0.000 . . . . . . A 54 ARG HG3 . 34678 1 551 . 1 . 1 58 58 ARG HD2 H 1 3.156 0.000 . . . . . . A 54 ARG HD2 . 34678 1 552 . 1 . 1 58 58 ARG HD3 H 1 3.146 0.000 . . . . . . A 54 ARG HD3 . 34678 1 553 . 1 . 1 58 58 ARG C C 13 174.740 0.000 . . . . . . A 54 ARG C . 34678 1 554 . 1 . 1 58 58 ARG CA C 13 54.260 0.000 . . . . . . A 54 ARG CA . 34678 1 555 . 1 . 1 58 58 ARG N N 15 126.240 0.000 . . . . . . A 54 ARG N . 34678 1 556 . 1 . 1 59 59 ALA H H 1 9.265 0.000 . . . . . . A 55 ALA H . 34678 1 557 . 1 . 1 59 59 ALA HA H 1 5.461 0.000 . . . . . . A 55 ALA HA . 34678 1 558 . 1 . 1 59 59 ALA HB1 H 1 1.226 0.000 . . . . . . A 55 ALA HB1 . 34678 1 559 . 1 . 1 59 59 ALA HB2 H 1 1.226 0.000 . . . . . . A 55 ALA HB2 . 34678 1 560 . 1 . 1 59 59 ALA HB3 H 1 1.226 0.000 . . . . . . A 55 ALA HB3 . 34678 1 561 . 1 . 1 59 59 ALA C C 13 175.460 0.000 . . . . . . A 55 ALA C . 34678 1 562 . 1 . 1 59 59 ALA CA C 13 49.800 0.000 . . . . . . A 55 ALA CA . 34678 1 563 . 1 . 1 59 59 ALA CB C 13 22.690 0.000 . . . . . . A 55 ALA CB . 34678 1 564 . 1 . 1 59 59 ALA N N 15 126.440 0.000 . . . . . . A 55 ALA N . 34678 1 565 . 1 . 1 60 60 GLU H H 1 8.602 0.000 . . . . . . A 56 GLU H . 34678 1 566 . 1 . 1 60 60 GLU HA H 1 5.295 0.000 . . . . . . A 56 GLU HA . 34678 1 567 . 1 . 1 60 60 GLU HB2 H 1 2.088 0.000 . . . . . . A 56 GLU HB2 . 34678 1 568 . 1 . 1 60 60 GLU HB3 H 1 2.036 0.000 . . . . . . A 56 GLU HB3 . 34678 1 569 . 1 . 1 60 60 GLU HG2 H 1 2.307 0.000 . . . . . . A 56 GLU HG2 . 34678 1 570 . 1 . 1 60 60 GLU HG3 H 1 2.260 0.000 . . . . . . A 56 GLU HG3 . 34678 1 571 . 1 . 1 60 60 GLU C C 13 175.770 0.000 . . . . . . A 56 GLU C . 34678 1 572 . 1 . 1 60 60 GLU CA C 13 55.000 0.000 . . . . . . A 56 GLU CA . 34678 1 573 . 1 . 1 60 60 GLU N N 15 122.440 0.000 . . . . . . A 56 GLU N . 34678 1 574 . 1 . 1 61 61 LEU H H 1 9.534 0.000 . . . . . . A 57 LEU H . 34678 1 575 . 1 . 1 61 61 LEU HA H 1 5.436 0.000 . . . . . . A 57 LEU HA . 34678 1 576 . 1 . 1 61 61 LEU HB2 H 1 1.527 0.000 . . . . . . A 57 LEU HB2 . 34678 1 577 . 1 . 1 61 61 LEU HB3 H 1 1.555 0.000 . . . . . . A 57 LEU HB3 . 34678 1 578 . 1 . 1 61 61 LEU HG H 1 1.632 0.000 . . . . . . A 57 LEU HG . 34678 1 579 . 1 . 1 61 61 LEU HD11 H 1 0.867 0.000 . . . . . . A 57 LEU HD11 . 34678 1 580 . 1 . 1 61 61 LEU HD12 H 1 0.867 0.000 . . . . . . A 57 LEU HD12 . 34678 1 581 . 1 . 1 61 61 LEU HD13 H 1 0.867 0.000 . . . . . . A 57 LEU HD13 . 34678 1 582 . 1 . 1 61 61 LEU HD21 H 1 0.758 0.000 . . . . . . A 57 LEU HD21 . 34678 1 583 . 1 . 1 61 61 LEU HD22 H 1 0.758 0.000 . . . . . . A 57 LEU HD22 . 34678 1 584 . 1 . 1 61 61 LEU HD23 H 1 0.758 0.000 . . . . . . A 57 LEU HD23 . 34678 1 585 . 1 . 1 61 61 LEU C C 13 175.110 0.000 . . . . . . A 57 LEU C . 34678 1 586 . 1 . 1 61 61 LEU CA C 13 53.800 0.000 . . . . . . A 57 LEU CA . 34678 1 587 . 1 . 1 61 61 LEU N N 15 124.900 0.000 . . . . . . A 57 LEU N . 34678 1 588 . 1 . 1 62 62 LEU H H 1 8.832 0.000 . . . . . . A 58 LEU H . 34678 1 589 . 1 . 1 62 62 LEU HA H 1 5.411 0.000 . . . . . . A 58 LEU HA . 34678 1 590 . 1 . 1 62 62 LEU HB2 H 1 1.607 0.000 . . . . . . A 58 LEU HB2 . 34678 1 591 . 1 . 1 62 62 LEU HB3 H 1 1.535 0.000 . . . . . . A 58 LEU HB3 . 34678 1 592 . 1 . 1 62 62 LEU HG H 1 1.505 0.000 . . . . . . A 58 LEU HG . 34678 1 593 . 1 . 1 62 62 LEU HD11 H 1 0.874 0.000 . . . . . . A 58 LEU HD11 . 34678 1 594 . 1 . 1 62 62 LEU HD12 H 1 0.874 0.000 . . . . . . A 58 LEU HD12 . 34678 1 595 . 1 . 1 62 62 LEU HD13 H 1 0.874 0.000 . . . . . . A 58 LEU HD13 . 34678 1 596 . 1 . 1 62 62 LEU HD21 H 1 0.843 0.000 . . . . . . A 58 LEU HD21 . 34678 1 597 . 1 . 1 62 62 LEU HD22 H 1 0.843 0.000 . . . . . . A 58 LEU HD22 . 34678 1 598 . 1 . 1 62 62 LEU HD23 H 1 0.843 0.000 . . . . . . A 58 LEU HD23 . 34678 1 599 . 1 . 1 62 62 LEU C C 13 176.820 0.000 . . . . . . A 58 LEU C . 34678 1 600 . 1 . 1 62 62 LEU CA C 13 53.760 0.000 . . . . . . A 58 LEU CA . 34678 1 601 . 1 . 1 62 62 LEU N N 15 121.710 0.000 . . . . . . A 58 LEU N . 34678 1 602 . 1 . 1 63 63 GLY H H 1 9.243 0.000 . . . . . . A 59 GLY H . 34678 1 603 . 1 . 1 63 63 GLY HA2 H 1 5.141 0.000 . . . . . . A 59 GLY HA2 . 34678 1 604 . 1 . 1 63 63 GLY HA3 H 1 3.815 0.000 . . . . . . A 59 GLY HA3 . 34678 1 605 . 1 . 1 63 63 GLY C C 13 172.460 0.000 . . . . . . A 59 GLY C . 34678 1 606 . 1 . 1 63 63 GLY CA C 13 45.470 0.000 . . . . . . A 59 GLY CA . 34678 1 607 . 1 . 1 63 63 GLY N N 15 107.950 0.000 . . . . . . A 59 GLY N . 34678 1 608 . 1 . 1 64 64 THR H H 1 8.131 0.000 . . . . . . A 60 THR H . 34678 1 609 . 1 . 1 64 64 THR HA H 1 5.067 0.000 . . . . . . A 60 THR HA . 34678 1 610 . 1 . 1 64 64 THR HB H 1 4.899 0.000 . . . . . . A 60 THR HB . 34678 1 611 . 1 . 1 64 64 THR HG21 H 1 1.399 0.000 . . . . . . A 60 THR HG21 . 34678 1 612 . 1 . 1 64 64 THR HG22 H 1 1.399 0.000 . . . . . . A 60 THR HG22 . 34678 1 613 . 1 . 1 64 64 THR HG23 H 1 1.399 0.000 . . . . . . A 60 THR HG23 . 34678 1 614 . 1 . 1 64 64 THR CA C 13 60.850 0.000 . . . . . . A 60 THR CA . 34678 1 615 . 1 . 1 64 64 THR N N 15 112.710 0.000 . . . . . . A 60 THR N . 34678 1 616 . 1 . 1 65 65 PRO HA H 1 4.417 0.000 . . . . . . A 61 PRO HA . 34678 1 617 . 1 . 1 65 65 PRO HB2 H 1 2.316 0.000 . . . . . . A 61 PRO HB2 . 34678 1 618 . 1 . 1 65 65 PRO HB3 H 1 1.918 0.000 . . . . . . A 61 PRO HB3 . 34678 1 619 . 1 . 1 65 65 PRO HG2 H 1 2.056 0.000 . . . . . . A 61 PRO HG2 . 34678 1 620 . 1 . 1 65 65 PRO HG3 H 1 1.994 0.000 . . . . . . A 61 PRO HG3 . 34678 1 621 . 1 . 1 65 65 PRO HD2 H 1 3.859 0.000 . . . . . . A 61 PRO HD2 . 34678 1 622 . 1 . 1 65 65 PRO HD3 H 1 3.742 0.000 . . . . . . A 61 PRO HD3 . 34678 1 623 . 1 . 1 65 65 PRO C C 13 176.740 0.000 . . . . . . A 61 PRO C . 34678 1 624 . 1 . 1 65 65 PRO CA C 13 65.080 0.000 . . . . . . A 61 PRO CA . 34678 1 625 . 1 . 1 65 65 PRO CB C 13 31.560 0.000 . . . . . . A 61 PRO CB . 34678 1 626 . 1 . 1 66 66 GLU H H 1 7.613 0.000 . . . . . . A 62 GLU H . 34678 1 627 . 1 . 1 66 66 GLU HA H 1 4.438 0.000 . . . . . . A 62 GLU HA . 34678 1 628 . 1 . 1 66 66 GLU HB2 H 1 2.277 0.000 . . . . . . A 62 GLU HB2 . 34678 1 629 . 1 . 1 66 66 GLU HB3 H 1 1.687 0.000 . . . . . . A 62 GLU HB3 . 34678 1 630 . 1 . 1 66 66 GLU HG2 H 1 1.957 0.000 . . . . . . A 62 GLU HG2 . 34678 1 631 . 1 . 1 66 66 GLU HG3 H 1 1.813 0.000 . . . . . . A 62 GLU HG3 . 34678 1 632 . 1 . 1 66 66 GLU C C 13 176.390 0.000 . . . . . . A 62 GLU C . 34678 1 633 . 1 . 1 66 66 GLU CA C 13 56.020 0.000 . . . . . . A 62 GLU CA . 34678 1 634 . 1 . 1 66 66 GLU CB C 13 29.290 0.000 . . . . . . A 62 GLU CB . 34678 1 635 . 1 . 1 66 66 GLU N N 15 113.960 0.000 . . . . . . A 62 GLU N . 34678 1 636 . 1 . 1 67 67 ALA H H 1 8.015 0.000 . . . . . . A 63 ALA H . 34678 1 637 . 1 . 1 67 67 ALA HA H 1 3.914 0.000 . . . . . . A 63 ALA HA . 34678 1 638 . 1 . 1 67 67 ALA HB1 H 1 1.092 0.000 . . . . . . A 63 ALA HB1 . 34678 1 639 . 1 . 1 67 67 ALA HB2 H 1 1.092 0.000 . . . . . . A 63 ALA HB2 . 34678 1 640 . 1 . 1 67 67 ALA HB3 H 1 1.092 0.000 . . . . . . A 63 ALA HB3 . 34678 1 641 . 1 . 1 67 67 ALA C C 13 175.110 0.000 . . . . . . A 63 ALA C . 34678 1 642 . 1 . 1 67 67 ALA N N 15 123.560 0.000 . . . . . . A 63 ALA N . 34678 1 643 . 1 . 1 68 68 PRO HA H 1 4.086 0.000 . . . . . . A 64 PRO HA . 34678 1 644 . 1 . 1 68 68 PRO HB2 H 1 2.453 0.000 . . . . . . A 64 PRO HB2 . 34678 1 645 . 1 . 1 68 68 PRO HB3 H 1 1.829 0.000 . . . . . . A 64 PRO HB3 . 34678 1 646 . 1 . 1 68 68 PRO HG2 H 1 2.319 0.000 . . . . . . A 64 PRO HG2 . 34678 1 647 . 1 . 1 68 68 PRO HG3 H 1 2.295 0.000 . . . . . . A 64 PRO HG3 . 34678 1 648 . 1 . 1 68 68 PRO HD2 H 1 3.565 0.000 . . . . . . A 64 PRO HD2 . 34678 1 649 . 1 . 1 68 68 PRO HD3 H 1 3.491 0.000 . . . . . . A 64 PRO HD3 . 34678 1 650 . 1 . 1 68 68 PRO C C 13 177.380 0.000 . . . . . . A 64 PRO C . 34678 1 651 . 1 . 1 68 68 PRO CA C 13 67.490 0.000 . . . . . . A 64 PRO CA . 34678 1 652 . 1 . 1 69 69 ALA H H 1 7.707 0.000 . . . . . . A 65 ALA H . 34678 1 653 . 1 . 1 69 69 ALA HA H 1 4.091 0.000 . . . . . . A 65 ALA HA . 34678 1 654 . 1 . 1 69 69 ALA HB1 H 1 1.443 0.000 . . . . . . A 65 ALA HB1 . 34678 1 655 . 1 . 1 69 69 ALA HB2 H 1 1.443 0.000 . . . . . . A 65 ALA HB2 . 34678 1 656 . 1 . 1 69 69 ALA HB3 H 1 1.443 0.000 . . . . . . A 65 ALA HB3 . 34678 1 657 . 1 . 1 69 69 ALA C C 13 181.190 0.000 . . . . . . A 65 ALA C . 34678 1 658 . 1 . 1 69 69 ALA CA C 13 55.340 0.000 . . . . . . A 65 ALA CA . 34678 1 659 . 1 . 1 69 69 ALA CB C 13 18.260 0.000 . . . . . . A 65 ALA CB . 34678 1 660 . 1 . 1 69 69 ALA N N 15 117.850 0.000 . . . . . . A 65 ALA N . 34678 1 661 . 1 . 1 70 70 GLN H H 1 7.452 0.000 . . . . . . A 66 GLN H . 34678 1 662 . 1 . 1 70 70 GLN HA H 1 3.946 0.000 . . . . . . A 66 GLN HA . 34678 1 663 . 1 . 1 70 70 GLN HB2 H 1 1.982 0.000 . . . . . . A 66 GLN HB2 . 34678 1 664 . 1 . 1 70 70 GLN HB3 H 1 1.936 0.000 . . . . . . A 66 GLN HB3 . 34678 1 665 . 1 . 1 70 70 GLN HG2 H 1 2.454 0.000 . . . . . . A 66 GLN HG2 . 34678 1 666 . 1 . 1 70 70 GLN HG3 H 1 2.340 0.000 . . . . . . A 66 GLN HG3 . 34678 1 667 . 1 . 1 70 70 GLN HE21 H 1 7.381 0.000 . . . . . . A 66 GLN HE21 . 34678 1 668 . 1 . 1 70 70 GLN HE22 H 1 7.241 0.000 . . . . . . A 66 GLN HE22 . 34678 1 669 . 1 . 1 70 70 GLN CA C 13 58.180 0.000 . . . . . . A 66 GLN CA . 34678 1 670 . 1 . 1 70 70 GLN CB C 13 28.010 0.000 . . . . . . A 66 GLN CB . 34678 1 671 . 1 . 1 70 70 GLN N N 15 117.160 0.000 . . . . . . A 66 GLN N . 34678 1 672 . 1 . 1 70 70 GLN NE2 N 15 111.900 0.000 . . . . . . A 66 GLN NE2 . 34678 1 673 . 1 . 1 71 71 LEU H H 1 8.493 0.000 . . . . . . A 67 LEU H . 34678 1 674 . 1 . 1 71 71 LEU HA H 1 3.537 0.000 . . . . . . A 67 LEU HA . 34678 1 675 . 1 . 1 71 71 LEU HB2 H 1 1.937 0.000 . . . . . . A 67 LEU HB2 . 34678 1 676 . 1 . 1 71 71 LEU HB3 H 1 0.563 0.000 . . . . . . A 67 LEU HB3 . 34678 1 677 . 1 . 1 71 71 LEU HG H 1 0.770 0.000 . . . . . . A 67 LEU HG . 34678 1 678 . 1 . 1 71 71 LEU HD11 H 1 0.131 0.000 . . . . . . A 67 LEU HD11 . 34678 1 679 . 1 . 1 71 71 LEU HD12 H 1 0.131 0.000 . . . . . . A 67 LEU HD12 . 34678 1 680 . 1 . 1 71 71 LEU HD13 H 1 0.131 0.000 . . . . . . A 67 LEU HD13 . 34678 1 681 . 1 . 1 71 71 LEU HD21 H 1 -0.480 0.000 . . . . . . A 67 LEU HD21 . 34678 1 682 . 1 . 1 71 71 LEU HD22 H 1 -0.480 0.000 . . . . . . A 67 LEU HD22 . 34678 1 683 . 1 . 1 71 71 LEU HD23 H 1 -0.480 0.000 . . . . . . A 67 LEU HD23 . 34678 1 684 . 1 . 1 71 71 LEU C C 13 178.240 0.000 . . . . . . A 67 LEU C . 34678 1 685 . 1 . 1 71 71 LEU CA C 13 57.530 0.000 . . . . . . A 67 LEU CA . 34678 1 686 . 1 . 1 71 71 LEU CB C 13 39.110 0.000 . . . . . . A 67 LEU CB . 34678 1 687 . 1 . 1 71 71 LEU N N 15 123.820 0.000 . . . . . . A 67 LEU N . 34678 1 688 . 1 . 1 72 72 GLU H H 1 8.120 0.000 . . . . . . A 68 GLU H . 34678 1 689 . 1 . 1 72 72 GLU HA H 1 4.106 0.000 . . . . . . A 68 GLU HA . 34678 1 690 . 1 . 1 72 72 GLU HB2 H 1 2.101 0.000 . . . . . . A 68 GLU HB2 . 34678 1 691 . 1 . 1 72 72 GLU HB3 H 1 1.890 0.000 . . . . . . A 68 GLU HB3 . 34678 1 692 . 1 . 1 72 72 GLU HG2 H 1 2.460 0.000 . . . . . . A 68 GLU HG2 . 34678 1 693 . 1 . 1 72 72 GLU HG3 H 1 2.164 0.000 . . . . . . A 68 GLU HG3 . 34678 1 694 . 1 . 1 72 72 GLU C C 13 179.650 0.000 . . . . . . A 68 GLU C . 34678 1 695 . 1 . 1 72 72 GLU CA C 13 59.380 0.000 . . . . . . A 68 GLU CA . 34678 1 696 . 1 . 1 72 72 GLU CB C 13 29.530 0.000 . . . . . . A 68 GLU CB . 34678 1 697 . 1 . 1 72 72 GLU N N 15 119.000 0.000 . . . . . . A 68 GLU N . 34678 1 698 . 1 . 1 73 73 ARG H H 1 7.164 0.000 . . . . . . A 69 ARG H . 34678 1 699 . 1 . 1 73 73 ARG HA H 1 4.096 0.000 . . . . . . A 69 ARG HA . 34678 1 700 . 1 . 1 73 73 ARG HB2 H 1 1.928 0.000 . . . . . . A 69 ARG HB2 . 34678 1 701 . 1 . 1 73 73 ARG HB3 H 1 1.869 0.000 . . . . . . A 69 ARG HB3 . 34678 1 702 . 1 . 1 73 73 ARG HG2 H 1 1.643 0.000 . . . . . . A 69 ARG HG2 . 34678 1 703 . 1 . 1 73 73 ARG HG3 H 1 1.580 0.000 . . . . . . A 69 ARG HG3 . 34678 1 704 . 1 . 1 73 73 ARG C C 13 178.790 0.000 . . . . . . A 69 ARG C . 34678 1 705 . 1 . 1 73 73 ARG CA C 13 59.320 0.000 . . . . . . A 69 ARG CA . 34678 1 706 . 1 . 1 73 73 ARG CB C 13 30.090 0.000 . . . . . . A 69 ARG CB . 34678 1 707 . 1 . 1 73 73 ARG N N 15 118.910 0.000 . . . . . . A 69 ARG N . 34678 1 708 . 1 . 1 74 74 LEU H H 1 7.831 0.000 . . . . . . A 70 LEU H . 34678 1 709 . 1 . 1 74 74 LEU HA H 1 4.106 0.000 . . . . . . A 70 LEU HA . 34678 1 710 . 1 . 1 74 74 LEU HB2 H 1 2.086 0.000 . . . . . . A 70 LEU HB2 . 34678 1 711 . 1 . 1 74 74 LEU HB3 H 1 1.936 0.000 . . . . . . A 70 LEU HB3 . 34678 1 712 . 1 . 1 74 74 LEU HG H 1 1.585 0.000 . . . . . . A 70 LEU HG . 34678 1 713 . 1 . 1 74 74 LEU HD11 H 1 0.829 0.000 . . . . . . A 70 LEU HD11 . 34678 1 714 . 1 . 1 74 74 LEU HD12 H 1 0.829 0.000 . . . . . . A 70 LEU HD12 . 34678 1 715 . 1 . 1 74 74 LEU HD13 H 1 0.829 0.000 . . . . . . A 70 LEU HD13 . 34678 1 716 . 1 . 1 74 74 LEU HD21 H 1 0.739 0.000 . . . . . . A 70 LEU HD21 . 34678 1 717 . 1 . 1 74 74 LEU HD22 H 1 0.739 0.000 . . . . . . A 70 LEU HD22 . 34678 1 718 . 1 . 1 74 74 LEU HD23 H 1 0.739 0.000 . . . . . . A 70 LEU HD23 . 34678 1 719 . 1 . 1 74 74 LEU C C 13 178.590 0.000 . . . . . . A 70 LEU C . 34678 1 720 . 1 . 1 74 74 LEU CA C 13 58.700 0.000 . . . . . . A 70 LEU CA . 34678 1 721 . 1 . 1 74 74 LEU CB C 13 41.980 0.000 . . . . . . A 70 LEU CB . 34678 1 722 . 1 . 1 74 74 LEU N N 15 122.520 0.000 . . . . . . A 70 LEU N . 34678 1 723 . 1 . 1 75 75 VAL H H 1 8.779 0.000 . . . . . . A 71 VAL H . 34678 1 724 . 1 . 1 75 75 VAL HA H 1 3.531 0.000 . . . . . . A 71 VAL HA . 34678 1 725 . 1 . 1 75 75 VAL HB H 1 2.314 0.000 . . . . . . A 71 VAL HB . 34678 1 726 . 1 . 1 75 75 VAL HG11 H 1 1.023 0.000 . . . . . . A 71 VAL HG11 . 34678 1 727 . 1 . 1 75 75 VAL HG12 H 1 1.023 0.000 . . . . . . A 71 VAL HG12 . 34678 1 728 . 1 . 1 75 75 VAL HG13 H 1 1.023 0.000 . . . . . . A 71 VAL HG13 . 34678 1 729 . 1 . 1 75 75 VAL HG21 H 1 1.182 0.000 . . . . . . A 71 VAL HG21 . 34678 1 730 . 1 . 1 75 75 VAL HG22 H 1 1.182 0.000 . . . . . . A 71 VAL HG22 . 34678 1 731 . 1 . 1 75 75 VAL HG23 H 1 1.182 0.000 . . . . . . A 71 VAL HG23 . 34678 1 732 . 1 . 1 75 75 VAL C C 13 178.710 0.000 . . . . . . A 71 VAL C . 34678 1 733 . 1 . 1 75 75 VAL CA C 13 66.990 0.000 . . . . . . A 71 VAL CA . 34678 1 734 . 1 . 1 75 75 VAL CB C 13 31.330 0.000 . . . . . . A 71 VAL CB . 34678 1 735 . 1 . 1 75 75 VAL N N 15 117.210 0.000 . . . . . . A 71 VAL N . 34678 1 736 . 1 . 1 76 76 SER H H 1 8.032 0.000 . . . . . . A 72 SER H . 34678 1 737 . 1 . 1 76 76 SER HA H 1 4.199 0.000 . . . . . . A 72 SER HA . 34678 1 738 . 1 . 1 76 76 SER HB2 H 1 4.036 0.000 . . . . . . A 72 SER HB2 . 34678 1 739 . 1 . 1 76 76 SER HB3 H 1 3.970 0.000 . . . . . . A 72 SER HB3 . 34678 1 740 . 1 . 1 76 76 SER C C 13 176.480 0.000 . . . . . . A 72 SER C . 34678 1 741 . 1 . 1 76 76 SER CA C 13 61.950 0.000 . . . . . . A 72 SER CA . 34678 1 742 . 1 . 1 76 76 SER CB C 13 62.550 0.000 . . . . . . A 72 SER CB . 34678 1 743 . 1 . 1 76 76 SER N N 15 116.590 0.000 . . . . . . A 72 SER N . 34678 1 744 . 1 . 1 77 77 ARG H H 1 7.715 0.000 . . . . . . A 73 ARG H . 34678 1 745 . 1 . 1 77 77 ARG HA H 1 4.293 0.000 . . . . . . A 73 ARG HA . 34678 1 746 . 1 . 1 77 77 ARG HB2 H 1 2.074 0.000 . . . . . . A 73 ARG HB2 . 34678 1 747 . 1 . 1 77 77 ARG HB3 H 1 1.993 0.000 . . . . . . A 73 ARG HB3 . 34678 1 748 . 1 . 1 77 77 ARG HG2 H 1 1.816 0.000 . . . . . . A 73 ARG HG2 . 34678 1 749 . 1 . 1 77 77 ARG HG3 H 1 1.558 0.000 . . . . . . A 73 ARG HG3 . 34678 1 750 . 1 . 1 77 77 ARG CA C 13 58.390 0.000 . . . . . . A 73 ARG CA . 34678 1 751 . 1 . 1 77 77 ARG N N 15 120.750 0.000 . . . . . . A 73 ARG N . 34678 1 752 . 1 . 1 78 78 VAL H H 1 8.750 0.000 . . . . . . A 74 VAL H . 34678 1 753 . 1 . 1 78 78 VAL HA H 1 3.655 0.000 . . . . . . A 74 VAL HA . 34678 1 754 . 1 . 1 78 78 VAL HB H 1 2.117 0.000 . . . . . . A 74 VAL HB . 34678 1 755 . 1 . 1 78 78 VAL HG11 H 1 0.982 0.000 . . . . . . A 74 VAL HG11 . 34678 1 756 . 1 . 1 78 78 VAL HG12 H 1 0.982 0.000 . . . . . . A 74 VAL HG12 . 34678 1 757 . 1 . 1 78 78 VAL HG13 H 1 0.982 0.000 . . . . . . A 74 VAL HG13 . 34678 1 758 . 1 . 1 78 78 VAL HG21 H 1 1.023 0.000 . . . . . . A 74 VAL HG21 . 34678 1 759 . 1 . 1 78 78 VAL HG22 H 1 1.023 0.000 . . . . . . A 74 VAL HG22 . 34678 1 760 . 1 . 1 78 78 VAL HG23 H 1 1.023 0.000 . . . . . . A 74 VAL HG23 . 34678 1 761 . 1 . 1 78 78 VAL C C 13 177.050 0.000 . . . . . . A 74 VAL C . 34678 1 762 . 1 . 1 78 78 VAL N N 15 120.470 0.000 . . . . . . A 74 VAL N . 34678 1 763 . 1 . 1 79 79 SER H H 1 8.080 0.000 . . . . . . A 75 SER H . 34678 1 764 . 1 . 1 79 79 SER HA H 1 4.030 0.000 . . . . . . A 75 SER HA . 34678 1 765 . 1 . 1 79 79 SER HB2 H 1 3.900 0.000 . . . . . . A 75 SER HB2 . 34678 1 766 . 1 . 1 79 79 SER HB3 H 1 3.800 0.000 . . . . . . A 75 SER HB3 . 34678 1 767 . 1 . 1 79 79 SER C C 13 174.330 0.000 . . . . . . A 75 SER C . 34678 1 768 . 1 . 1 79 79 SER CB C 13 63.160 0.000 . . . . . . A 75 SER CB . 34678 1 769 . 1 . 1 79 79 SER N N 15 112.290 0.000 . . . . . . A 75 SER N . 34678 1 770 . 1 . 1 80 80 LEU H H 1 7.085 0.000 . . . . . . A 76 LEU H . 34678 1 771 . 1 . 1 80 80 LEU HA H 1 4.274 0.000 . . . . . . A 76 LEU HA . 34678 1 772 . 1 . 1 80 80 LEU HB2 H 1 1.852 0.000 . . . . . . A 76 LEU HB2 . 34678 1 773 . 1 . 1 80 80 LEU HB3 H 1 1.650 0.000 . . . . . . A 76 LEU HB3 . 34678 1 774 . 1 . 1 80 80 LEU HG H 1 1.955 0.000 . . . . . . A 76 LEU HG . 34678 1 775 . 1 . 1 80 80 LEU HD11 H 1 0.972 0.000 . . . . . . A 76 LEU HD11 . 34678 1 776 . 1 . 1 80 80 LEU HD12 H 1 0.972 0.000 . . . . . . A 76 LEU HD12 . 34678 1 777 . 1 . 1 80 80 LEU HD13 H 1 0.972 0.000 . . . . . . A 76 LEU HD13 . 34678 1 778 . 1 . 1 80 80 LEU HD21 H 1 0.852 0.000 . . . . . . A 76 LEU HD21 . 34678 1 779 . 1 . 1 80 80 LEU HD22 H 1 0.852 0.000 . . . . . . A 76 LEU HD22 . 34678 1 780 . 1 . 1 80 80 LEU HD23 H 1 0.852 0.000 . . . . . . A 76 LEU HD23 . 34678 1 781 . 1 . 1 80 80 LEU C C 13 178.240 0.000 . . . . . . A 76 LEU C . 34678 1 782 . 1 . 1 80 80 LEU CA C 13 55.290 0.000 . . . . . . A 76 LEU CA . 34678 1 783 . 1 . 1 80 80 LEU N N 15 118.810 0.000 . . . . . . A 76 LEU N . 34678 1 784 . 1 . 1 81 81 GLU H H 1 7.623 0.000 . . . . . . A 77 GLU H . 34678 1 785 . 1 . 1 81 81 GLU HA H 1 4.126 0.000 . . . . . . A 77 GLU HA . 34678 1 786 . 1 . 1 81 81 GLU HB2 H 1 2.132 0.000 . . . . . . A 77 GLU HB2 . 34678 1 787 . 1 . 1 81 81 GLU HB3 H 1 2.087 0.000 . . . . . . A 77 GLU HB3 . 34678 1 788 . 1 . 1 81 81 GLU HG2 H 1 2.283 0.000 . . . . . . A 77 GLU HG2 . 34678 1 789 . 1 . 1 81 81 GLU HG3 H 1 2.238 0.000 . . . . . . A 77 GLU HG3 . 34678 1 790 . 1 . 1 81 81 GLU C C 13 177.170 0.000 . . . . . . A 77 GLU C . 34678 1 791 . 1 . 1 81 81 GLU CA C 13 56.020 0.000 . . . . . . A 77 GLU CA . 34678 1 792 . 1 . 1 81 81 GLU CB C 13 29.470 0.000 . . . . . . A 77 GLU CB . 34678 1 793 . 1 . 1 81 81 GLU N N 15 120.440 0.000 . . . . . . A 77 GLU N . 34678 1 794 . 1 . 1 82 82 LYS H H 1 8.634 0.000 . . . . . . A 78 LYS H . 34678 1 795 . 1 . 1 82 82 LYS HA H 1 4.029 0.000 . . . . . . A 78 LYS HA . 34678 1 796 . 1 . 1 82 82 LYS HB2 H 1 1.851 0.000 . . . . . . A 78 LYS HB2 . 34678 1 797 . 1 . 1 82 82 LYS HB3 H 1 1.821 0.000 . . . . . . A 78 LYS HB3 . 34678 1 798 . 1 . 1 82 82 LYS HG2 H 1 1.546 0.000 . . . . . . A 78 LYS HG2 . 34678 1 799 . 1 . 1 82 82 LYS HG3 H 1 1.484 0.000 . . . . . . A 78 LYS HG3 . 34678 1 800 . 1 . 1 82 82 LYS HD2 H 1 1.727 0.000 . . . . . . A 78 LYS HD2 . 34678 1 801 . 1 . 1 82 82 LYS HD3 H 1 1.701 0.000 . . . . . . A 78 LYS HD3 . 34678 1 802 . 1 . 1 82 82 LYS HE2 H 1 3.026 0.000 . . . . . . A 78 LYS HE2 . 34678 1 803 . 1 . 1 82 82 LYS HE3 H 1 3.026 0.000 . . . . . . A 78 LYS HE3 . 34678 1 804 . 1 . 1 82 82 LYS C C 13 177.450 0.000 . . . . . . A 78 LYS C . 34678 1 805 . 1 . 1 82 82 LYS CA C 13 58.340 0.000 . . . . . . A 78 LYS CA . 34678 1 806 . 1 . 1 82 82 LYS CB C 13 32.060 0.000 . . . . . . A 78 LYS CB . 34678 1 807 . 1 . 1 82 82 LYS N N 15 125.660 0.000 . . . . . . A 78 LYS N . 34678 1 808 . 1 . 1 83 83 GLY H H 1 8.752 0.000 . . . . . . A 79 GLY H . 34678 1 809 . 1 . 1 83 83 GLY HA2 H 1 4.491 0.000 . . . . . . A 79 GLY HA2 . 34678 1 810 . 1 . 1 83 83 GLY HA3 H 1 3.754 0.000 . . . . . . A 79 GLY HA3 . 34678 1 811 . 1 . 1 83 83 GLY C C 13 175.010 0.000 . . . . . . A 79 GLY C . 34678 1 812 . 1 . 1 83 83 GLY CA C 13 45.180 0.000 . . . . . . A 79 GLY CA . 34678 1 813 . 1 . 1 83 83 GLY N N 15 108.330 0.000 . . . . . . A 79 GLY N . 34678 1 814 . 1 . 1 84 84 VAL H H 1 7.473 0.000 . . . . . . A 80 VAL H . 34678 1 815 . 1 . 1 84 84 VAL HA H 1 4.239 0.000 . . . . . . A 80 VAL HA . 34678 1 816 . 1 . 1 84 84 VAL HB H 1 2.261 0.000 . . . . . . A 80 VAL HB . 34678 1 817 . 1 . 1 84 84 VAL HG11 H 1 0.921 0.000 . . . . . . A 80 VAL HG11 . 34678 1 818 . 1 . 1 84 84 VAL HG12 H 1 0.921 0.000 . . . . . . A 80 VAL HG12 . 34678 1 819 . 1 . 1 84 84 VAL HG13 H 1 0.921 0.000 . . . . . . A 80 VAL HG13 . 34678 1 820 . 1 . 1 84 84 VAL HG21 H 1 0.831 0.000 . . . . . . A 80 VAL HG21 . 34678 1 821 . 1 . 1 84 84 VAL HG22 H 1 0.831 0.000 . . . . . . A 80 VAL HG22 . 34678 1 822 . 1 . 1 84 84 VAL HG23 H 1 0.831 0.000 . . . . . . A 80 VAL HG23 . 34678 1 823 . 1 . 1 84 84 VAL C C 13 176.170 0.000 . . . . . . A 80 VAL C . 34678 1 824 . 1 . 1 84 84 VAL CA C 13 62.910 0.000 . . . . . . A 80 VAL CA . 34678 1 825 . 1 . 1 84 84 VAL N N 15 121.710 0.000 . . . . . . A 80 VAL N . 34678 1 826 . 1 . 1 85 85 SER H H 1 9.034 0.000 . . . . . . A 81 SER H . 34678 1 827 . 1 . 1 85 85 SER HA H 1 4.668 0.000 . . . . . . A 81 SER HA . 34678 1 828 . 1 . 1 85 85 SER HB2 H 1 3.832 0.000 . . . . . . A 81 SER HB2 . 34678 1 829 . 1 . 1 85 85 SER HB3 H 1 3.782 0.000 . . . . . . A 81 SER HB3 . 34678 1 830 . 1 . 1 85 85 SER C C 13 174.610 0.000 . . . . . . A 81 SER C . 34678 1 831 . 1 . 1 85 85 SER CA C 13 59.270 0.000 . . . . . . A 81 SER CA . 34678 1 832 . 1 . 1 85 85 SER CB C 13 64.380 0.000 . . . . . . A 81 SER CB . 34678 1 833 . 1 . 1 85 85 SER N N 15 123.100 0.000 . . . . . . A 81 SER N . 34678 1 834 . 1 . 1 86 86 SER H H 1 7.543 0.000 . . . . . . A 82 SER H . 34678 1 835 . 1 . 1 86 86 SER HA H 1 4.678 0.000 . . . . . . A 82 SER HA . 34678 1 836 . 1 . 1 86 86 SER HB2 H 1 3.862 0.000 . . . . . . A 82 SER HB2 . 34678 1 837 . 1 . 1 86 86 SER HB3 H 1 3.756 0.000 . . . . . . A 82 SER HB3 . 34678 1 838 . 1 . 1 86 86 SER C C 13 178.970 0.000 . . . . . . A 82 SER C . 34678 1 839 . 1 . 1 86 86 SER CA C 13 58.330 0.000 . . . . . . A 82 SER CA . 34678 1 840 . 1 . 1 86 86 SER CB C 13 64.630 0.000 . . . . . . A 82 SER CB . 34678 1 841 . 1 . 1 86 86 SER N N 15 114.110 0.000 . . . . . . A 82 SER N . 34678 1 842 . 1 . 1 87 87 VAL H H 1 8.420 0.000 . . . . . . A 83 VAL H . 34678 1 843 . 1 . 1 87 87 VAL HA H 1 5.185 0.000 . . . . . . A 83 VAL HA . 34678 1 844 . 1 . 1 87 87 VAL HB H 1 2.114 0.000 . . . . . . A 83 VAL HB . 34678 1 845 . 1 . 1 87 87 VAL HG11 H 1 0.978 0.000 . . . . . . A 83 VAL HG11 . 34678 1 846 . 1 . 1 87 87 VAL HG12 H 1 0.978 0.000 . . . . . . A 83 VAL HG12 . 34678 1 847 . 1 . 1 87 87 VAL HG13 H 1 0.978 0.000 . . . . . . A 83 VAL HG13 . 34678 1 848 . 1 . 1 87 87 VAL HG21 H 1 0.926 0.000 . . . . . . A 83 VAL HG21 . 34678 1 849 . 1 . 1 87 87 VAL HG22 H 1 0.926 0.000 . . . . . . A 83 VAL HG22 . 34678 1 850 . 1 . 1 87 87 VAL HG23 H 1 0.926 0.000 . . . . . . A 83 VAL HG23 . 34678 1 851 . 1 . 1 87 87 VAL C C 13 173.210 0.000 . . . . . . A 83 VAL C . 34678 1 852 . 1 . 1 87 87 VAL CA C 13 60.570 0.000 . . . . . . A 83 VAL CA . 34678 1 853 . 1 . 1 87 87 VAL CB C 13 33.350 0.000 . . . . . . A 83 VAL CB . 34678 1 854 . 1 . 1 87 87 VAL N N 15 121.110 0.000 . . . . . . A 83 VAL N . 34678 1 855 . 1 . 1 88 88 ARG H H 1 8.711 0.000 . . . . . . A 84 ARG H . 34678 1 856 . 1 . 1 88 88 ARG HA H 1 4.902 0.000 . . . . . . A 84 ARG HA . 34678 1 857 . 1 . 1 88 88 ARG HB2 H 1 1.900 0.000 . . . . . . A 84 ARG HB2 . 34678 1 858 . 1 . 1 88 88 ARG HB3 H 1 1.850 0.000 . . . . . . A 84 ARG HB3 . 34678 1 859 . 1 . 1 88 88 ARG HG2 H 1 1.596 0.000 . . . . . . A 84 ARG HG2 . 34678 1 860 . 1 . 1 88 88 ARG HG3 H 1 1.455 0.000 . . . . . . A 84 ARG HG3 . 34678 1 861 . 1 . 1 88 88 ARG C C 13 173.630 0.000 . . . . . . A 84 ARG C . 34678 1 862 . 1 . 1 88 88 ARG CA C 13 54.820 0.000 . . . . . . A 84 ARG CA . 34678 1 863 . 1 . 1 88 88 ARG N N 15 123.950 0.000 . . . . . . A 84 ARG N . 34678 1 864 . 1 . 1 89 89 TRP H H 1 8.458 0.000 . . . . . . A 85 TRP H . 34678 1 865 . 1 . 1 89 89 TRP HA H 1 6.023 0.000 . . . . . . A 85 TRP HA . 34678 1 866 . 1 . 1 89 89 TRP HB2 H 1 3.410 0.000 . . . . . . A 85 TRP HB2 . 34678 1 867 . 1 . 1 89 89 TRP HB3 H 1 2.949 0.000 . . . . . . A 85 TRP HB3 . 34678 1 868 . 1 . 1 89 89 TRP HD1 H 1 6.960 0.000 . . . . . . A 85 TRP HD1 . 34678 1 869 . 1 . 1 89 89 TRP HE1 H 1 10.520 0.000 . . . . . . A 85 TRP HE1 . 34678 1 870 . 1 . 1 89 89 TRP HE3 H 1 7.306 0.000 . . . . . . A 85 TRP HE3 . 34678 1 871 . 1 . 1 89 89 TRP HZ2 H 1 7.540 0.000 . . . . . . A 85 TRP HZ2 . 34678 1 872 . 1 . 1 89 89 TRP HZ3 H 1 7.114 0.000 . . . . . . A 85 TRP HZ3 . 34678 1 873 . 1 . 1 89 89 TRP HH2 H 1 7.271 0.000 . . . . . . A 85 TRP HH2 . 34678 1 874 . 1 . 1 89 89 TRP C C 13 174.100 0.000 . . . . . . A 85 TRP C . 34678 1 875 . 1 . 1 89 89 TRP CA C 13 55.030 0.000 . . . . . . A 85 TRP CA . 34678 1 876 . 1 . 1 89 89 TRP N N 15 117.680 0.000 . . . . . . A 85 TRP N . 34678 1 877 . 1 . 1 89 89 TRP NE1 N 15 130.000 0.000 . . . . . . A 85 TRP NE1 . 34678 1 878 . 1 . 1 90 90 GLN H H 1 9.156 0.000 . . . . . . A 86 GLN H . 34678 1 879 . 1 . 1 90 90 GLN HA H 1 4.560 0.000 . . . . . . A 86 GLN HA . 34678 1 880 . 1 . 1 90 90 GLN HB2 H 1 2.012 0.000 . . . . . . A 86 GLN HB2 . 34678 1 881 . 1 . 1 90 90 GLN HB3 H 1 2.059 0.000 . . . . . . A 86 GLN HB3 . 34678 1 882 . 1 . 1 90 90 GLN HG2 H 1 2.201 0.000 . . . . . . A 86 GLN HG2 . 34678 1 883 . 1 . 1 90 90 GLN HG3 H 1 2.118 0.000 . . . . . . A 86 GLN HG3 . 34678 1 884 . 1 . 1 90 90 GLN HE21 H 1 7.439 0.000 . . . . . . A 86 GLN HE21 . 34678 1 885 . 1 . 1 90 90 GLN HE22 H 1 6.943 0.000 . . . . . . A 86 GLN HE22 . 34678 1 886 . 1 . 1 90 90 GLN C C 13 174.770 0.000 . . . . . . A 86 GLN C . 34678 1 887 . 1 . 1 90 90 GLN CA C 13 54.940 0.000 . . . . . . A 86 GLN CA . 34678 1 888 . 1 . 1 90 90 GLN N N 15 116.220 0.000 . . . . . . A 86 GLN N . 34678 1 889 . 1 . 1 90 90 GLN NE2 N 15 112.000 0.000 . . . . . . A 86 GLN NE2 . 34678 1 890 . 1 . 1 91 91 VAL H H 1 8.650 0.000 . . . . . . A 87 VAL H . 34678 1 891 . 1 . 1 91 91 VAL HA H 1 4.510 0.000 . . . . . . A 87 VAL HA . 34678 1 892 . 1 . 1 91 91 VAL HB H 1 2.039 0.000 . . . . . . A 87 VAL HB . 34678 1 893 . 1 . 1 91 91 VAL HG11 H 1 0.891 0.000 . . . . . . A 87 VAL HG11 . 34678 1 894 . 1 . 1 91 91 VAL HG12 H 1 0.891 0.000 . . . . . . A 87 VAL HG12 . 34678 1 895 . 1 . 1 91 91 VAL HG13 H 1 0.891 0.000 . . . . . . A 87 VAL HG13 . 34678 1 896 . 1 . 1 91 91 VAL HG21 H 1 0.942 0.000 . . . . . . A 87 VAL HG21 . 34678 1 897 . 1 . 1 91 91 VAL HG22 H 1 0.942 0.000 . . . . . . A 87 VAL HG22 . 34678 1 898 . 1 . 1 91 91 VAL HG23 H 1 0.942 0.000 . . . . . . A 87 VAL HG23 . 34678 1 899 . 1 . 1 91 91 VAL C C 13 174.750 0.000 . . . . . . A 87 VAL C . 34678 1 900 . 1 . 1 91 91 VAL CA C 13 61.950 0.000 . . . . . . A 87 VAL CA . 34678 1 901 . 1 . 1 91 91 VAL CB C 13 33.260 0.000 . . . . . . A 87 VAL CB . 34678 1 902 . 1 . 1 91 91 VAL N N 15 122.290 0.000 . . . . . . A 87 VAL N . 34678 1 903 . 1 . 1 92 92 PHE H H 1 8.591 0.000 . . . . . . A 88 PHE H . 34678 1 904 . 1 . 1 92 92 PHE HA H 1 4.607 0.000 . . . . . . A 88 PHE HA . 34678 1 905 . 1 . 1 92 92 PHE HB2 H 1 2.910 0.000 . . . . . . A 88 PHE HB2 . 34678 1 906 . 1 . 1 92 92 PHE HB3 H 1 2.673 0.000 . . . . . . A 88 PHE HB3 . 34678 1 907 . 1 . 1 92 92 PHE HD1 H 1 7.051 0.000 . . . . . . A 88 PHE HD1 . 34678 1 908 . 1 . 1 92 92 PHE HD2 H 1 7.051 0.000 . . . . . . A 88 PHE HD2 . 34678 1 909 . 1 . 1 92 92 PHE HE1 H 1 7.217 0.000 . . . . . . A 88 PHE HE1 . 34678 1 910 . 1 . 1 92 92 PHE HE2 H 1 7.217 0.000 . . . . . . A 88 PHE HE2 . 34678 1 911 . 1 . 1 92 92 PHE HZ H 1 7.386 0.000 . . . . . . A 88 PHE HZ . 34678 1 912 . 1 . 1 92 92 PHE C C 13 174.670 0.000 . . . . . . A 88 PHE C . 34678 1 913 . 1 . 1 92 92 PHE CA C 13 57.490 0.000 . . . . . . A 88 PHE CA . 34678 1 914 . 1 . 1 92 92 PHE CB C 13 40.990 0.000 . . . . . . A 88 PHE CB . 34678 1 915 . 1 . 1 92 92 PHE N N 15 127.530 0.000 . . . . . . A 88 PHE N . 34678 1 916 . 1 . 1 93 93 GLU H H 1 8.351 0.000 . . . . . . A 89 GLU H . 34678 1 917 . 1 . 1 93 93 GLU HA H 1 4.283 0.000 . . . . . . A 89 GLU HA . 34678 1 918 . 1 . 1 93 93 GLU HB2 H 1 1.939 0.000 . . . . . . A 89 GLU HB2 . 34678 1 919 . 1 . 1 93 93 GLU HB3 H 1 1.811 0.000 . . . . . . A 89 GLU HB3 . 34678 1 920 . 1 . 1 93 93 GLU HG2 H 1 2.189 0.000 . . . . . . A 89 GLU HG2 . 34678 1 921 . 1 . 1 93 93 GLU HG3 H 1 2.147 0.000 . . . . . . A 89 GLU HG3 . 34678 1 922 . 1 . 1 93 93 GLU C C 13 175.660 0.000 . . . . . . A 89 GLU C . 34678 1 923 . 1 . 1 93 93 GLU CA C 13 55.860 0.000 . . . . . . A 89 GLU CA . 34678 1 924 . 1 . 1 93 93 GLU CB C 13 30.910 0.000 . . . . . . A 89 GLU CB . 34678 1 925 . 1 . 1 93 93 GLU N N 15 124.210 0.000 . . . . . . A 89 GLU N . 34678 1 926 . 1 . 1 94 94 LEU H H 1 8.330 0.000 . . . . . . A 90 LEU H . 34678 1 927 . 1 . 1 94 94 LEU HA H 1 4.229 0.000 . . . . . . A 90 LEU HA . 34678 1 928 . 1 . 1 94 94 LEU HB2 H 1 1.575 0.000 . . . . . . A 90 LEU HB2 . 34678 1 929 . 1 . 1 94 94 LEU HB3 H 1 1.546 0.000 . . . . . . A 90 LEU HB3 . 34678 1 930 . 1 . 1 94 94 LEU HG H 1 1.463 0.000 . . . . . . A 90 LEU HG . 34678 1 931 . 1 . 1 94 94 LEU HD11 H 1 0.918 0.000 . . . . . . A 90 LEU HD11 . 34678 1 932 . 1 . 1 94 94 LEU HD12 H 1 0.918 0.000 . . . . . . A 90 LEU HD12 . 34678 1 933 . 1 . 1 94 94 LEU HD13 H 1 0.918 0.000 . . . . . . A 90 LEU HD13 . 34678 1 934 . 1 . 1 94 94 LEU HD21 H 1 0.869 0.000 . . . . . . A 90 LEU HD21 . 34678 1 935 . 1 . 1 94 94 LEU HD22 H 1 0.869 0.000 . . . . . . A 90 LEU HD22 . 34678 1 936 . 1 . 1 94 94 LEU HD23 H 1 0.869 0.000 . . . . . . A 90 LEU HD23 . 34678 1 937 . 1 . 1 94 94 LEU C C 13 176.830 0.000 . . . . . . A 90 LEU C . 34678 1 938 . 1 . 1 94 94 LEU CA C 13 55.170 0.000 . . . . . . A 90 LEU CA . 34678 1 939 . 1 . 1 94 94 LEU CB C 13 42.530 0.000 . . . . . . A 90 LEU CB . 34678 1 940 . 1 . 1 94 94 LEU N N 15 124.500 0.000 . . . . . . A 90 LEU N . 34678 1 941 . 1 . 1 95 95 ALA H H 1 8.385 0.000 . . . . . . A 91 ALA H . 34678 1 942 . 1 . 1 95 95 ALA HA H 1 4.290 0.000 . . . . . . A 91 ALA HA . 34678 1 943 . 1 . 1 95 95 ALA HB1 H 1 1.377 0.000 . . . . . . A 91 ALA HB1 . 34678 1 944 . 1 . 1 95 95 ALA HB2 H 1 1.377 0.000 . . . . . . A 91 ALA HB2 . 34678 1 945 . 1 . 1 95 95 ALA HB3 H 1 1.377 0.000 . . . . . . A 91 ALA HB3 . 34678 1 946 . 1 . 1 95 95 ALA C C 13 177.050 0.000 . . . . . . A 91 ALA C . 34678 1 947 . 1 . 1 95 95 ALA CA C 13 52.230 0.000 . . . . . . A 91 ALA CA . 34678 1 948 . 1 . 1 95 95 ALA CB C 13 19.300 0.000 . . . . . . A 91 ALA CB . 34678 1 949 . 1 . 1 95 95 ALA N N 15 126.260 0.000 . . . . . . A 91 ALA N . 34678 1 950 . 1 . 1 96 96 ALA H H 1 8.313 0.000 . . . . . . A 92 ALA H . 34678 1 951 . 1 . 1 96 96 ALA HA H 1 4.339 0.000 . . . . . . A 92 ALA HA . 34678 1 952 . 1 . 1 96 96 ALA HB1 H 1 1.374 0.000 . . . . . . A 92 ALA HB1 . 34678 1 953 . 1 . 1 96 96 ALA HB2 H 1 1.374 0.000 . . . . . . A 92 ALA HB2 . 34678 1 954 . 1 . 1 96 96 ALA HB3 H 1 1.374 0.000 . . . . . . A 92 ALA HB3 . 34678 1 955 . 1 . 1 96 96 ALA C C 13 176.500 0.000 . . . . . . A 92 ALA C . 34678 1 956 . 1 . 1 96 96 ALA CA C 13 52.200 0.000 . . . . . . A 92 ALA CA . 34678 1 957 . 1 . 1 96 96 ALA CB C 13 19.560 0.000 . . . . . . A 92 ALA CB . 34678 1 958 . 1 . 1 96 96 ALA N N 15 124.840 0.000 . . . . . . A 92 ALA N . 34678 1 959 . 1 . 1 97 97 ASP H H 1 7.931 0.000 . . . . . . A 93 ASP H . 34678 1 960 . 1 . 1 97 97 ASP HA H 1 4.341 0.000 . . . . . . A 93 ASP HA . 34678 1 961 . 1 . 1 97 97 ASP HB2 H 1 2.650 0.000 . . . . . . A 93 ASP HB2 . 34678 1 962 . 1 . 1 97 97 ASP HB3 H 1 2.538 0.000 . . . . . . A 93 ASP HB3 . 34678 1 963 . 1 . 1 97 97 ASP C C 13 180.970 0.000 . . . . . . A 93 ASP C . 34678 1 964 . 1 . 1 97 97 ASP CA C 13 55.860 0.000 . . . . . . A 93 ASP CA . 34678 1 965 . 1 . 1 97 97 ASP CB C 13 42.210 0.000 . . . . . . A 93 ASP CB . 34678 1 966 . 1 . 1 97 97 ASP N N 15 125.510 0.000 . . . . . . A 93 ASP N . 34678 1 stop_ save_