data_17962 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17962 _Entry.Title ; Solution structure of putative oxidoreductase from Ehrlichia chaffeensis. (Seattle Structural Genomics Center for Infectious Disease (SSGCID)) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-30 _Entry.Accession_date 2011-09-30 _Entry.Last_release_date 2011-10-26 _Entry.Original_release_date 2011-10-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Fan Yang . . . 17962 2 Ravi Barnwal . . . 17962 3 Gabriele Varani . . . 17962 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . 17962 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ehrlichia chaffeensis' . 17962 oxidoreductase . 17962 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17962 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 17962 '15N chemical shifts' 99 17962 '1H chemical shifts' 471 17962 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 . . 2011-10-26 2011-09-29 original author . 17962 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJU 'BMRB Entry Tracking System' 17962 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17962 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of putative oxidoreductase from Ehrlichia chaffeensis' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fan Yang . . . 17962 1 2 Ravi Barnwal . . . 17962 1 3 Gabriele Varani . . . 17962 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17962 _Assembly.ID 1 _Assembly.Name 'putative oxidoreductase from Ehrlichia chaffeensis' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'putative oxidoreductase from Ehrlichia chaffeensis' 1 $oxidoreductase A . yes native no no . . . 17962 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_oxidoreductase _Entity.Sf_category entity _Entity.Sf_framecode oxidoreductase _Entity.Entry_ID 17962 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'putative oxidoreductase from Ehrlichia chaffeensis' _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 ; MQEQVSNVRARIYKPAKSTM QSGHSKLKAWKLEFEPSCTQ YTEPLMNWTGSHDTKQQVCL SFTTRELAIAYAVAHKIDYT VLQDNPRTIVPKSYADNFTK PRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12015.776 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LJU . "Solution Structure Of Putative Oxidoreductase From Ehrlichia Chaffeensis, Seattle Structural Genomics Center For Infectious Dis" . . . . . 100.00 108 100.00 100.00 8.80e-72 . . . . 17962 1 2 no GB ABD44783 . "putative oxidoreductase [Ehrlichia chaffeensis str. Arkansas]" . . . . . 100.00 104 100.00 100.00 5.19e-72 . . . . 17962 1 3 no GB AHX03349 . "ETC complex I subunit conserved region family protein [Ehrlichia chaffeensis str. Heartland]" . . . . . 81.73 85 100.00 100.00 2.71e-57 . . . . 17962 1 4 no GB AHX05932 . "ETC complex I subunit conserved region family protein [Ehrlichia chaffeensis str. Jax]" . . . . . 81.73 85 100.00 100.00 2.71e-57 . . . . 17962 1 5 no GB AHX06922 . "ETC complex I subunit conserved region family protein [Ehrlichia chaffeensis str. Liberty]" . . . . . 100.00 104 100.00 100.00 5.19e-72 . . . . 17962 1 6 no GB AHX07274 . "ETC complex I subunit conserved region family protein [Ehrlichia chaffeensis str. Osceola]" . . . . . 81.73 85 100.00 100.00 2.71e-57 . . . . 17962 1 7 no REF WP_006010520 . "NADH-ubiquinone oxidoreductase [Ehrlichia chaffeensis]" . . . . . 100.00 104 100.00 100.00 5.19e-72 . . . . 17962 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17962 1 2 . GLN . 17962 1 3 . GLU . 17962 1 4 . GLN . 17962 1 5 . VAL . 17962 1 6 . SER . 17962 1 7 . ASN . 17962 1 8 . VAL . 17962 1 9 . ARG . 17962 1 10 . ALA . 17962 1 11 . ARG . 17962 1 12 . ILE . 17962 1 13 . TYR . 17962 1 14 . LYS . 17962 1 15 . PRO . 17962 1 16 . ALA . 17962 1 17 . LYS . 17962 1 18 . SER . 17962 1 19 . THR . 17962 1 20 . MET . 17962 1 21 . GLN . 17962 1 22 . SER . 17962 1 23 . GLY . 17962 1 24 . HIS . 17962 1 25 . SER . 17962 1 26 . LYS . 17962 1 27 . LEU . 17962 1 28 . LYS . 17962 1 29 . ALA . 17962 1 30 . TRP . 17962 1 31 . LYS . 17962 1 32 . LEU . 17962 1 33 . GLU . 17962 1 34 . PHE . 17962 1 35 . GLU . 17962 1 36 . PRO . 17962 1 37 . SER . 17962 1 38 . CYS . 17962 1 39 . THR . 17962 1 40 . GLN . 17962 1 41 . TYR . 17962 1 42 . THR . 17962 1 43 . GLU . 17962 1 44 . PRO . 17962 1 45 . LEU . 17962 1 46 . MET . 17962 1 47 . ASN . 17962 1 48 . TRP . 17962 1 49 . THR . 17962 1 50 . GLY . 17962 1 51 . SER . 17962 1 52 . HIS . 17962 1 53 . ASP . 17962 1 54 . THR . 17962 1 55 . LYS . 17962 1 56 . GLN . 17962 1 57 . GLN . 17962 1 58 . VAL . 17962 1 59 . CYS . 17962 1 60 . LEU . 17962 1 61 . SER . 17962 1 62 . PHE . 17962 1 63 . THR . 17962 1 64 . THR . 17962 1 65 . ARG . 17962 1 66 . GLU . 17962 1 67 . LEU . 17962 1 68 . ALA . 17962 1 69 . ILE . 17962 1 70 . ALA . 17962 1 71 . TYR . 17962 1 72 . ALA . 17962 1 73 . VAL . 17962 1 74 . ALA . 17962 1 75 . HIS . 17962 1 76 . LYS . 17962 1 77 . ILE . 17962 1 78 . ASP . 17962 1 79 . TYR . 17962 1 80 . THR . 17962 1 81 . VAL . 17962 1 82 . LEU . 17962 1 83 . GLN . 17962 1 84 . ASP . 17962 1 85 . ASN . 17962 1 86 . PRO . 17962 1 87 . ARG . 17962 1 88 . THR . 17962 1 89 . ILE . 17962 1 90 . VAL . 17962 1 91 . PRO . 17962 1 92 . LYS . 17962 1 93 . SER . 17962 1 94 . TYR . 17962 1 95 . ALA . 17962 1 96 . ASP . 17962 1 97 . ASN . 17962 1 98 . PHE . 17962 1 99 . THR . 17962 1 100 . LYS . 17962 1 101 . PRO . 17962 1 102 . ARG . 17962 1 103 . ASP . 17962 1 104 . MET . 17962 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 . MET 1 1 17962 1 . GLN 2 2 17962 1 . GLU 3 3 17962 1 . GLN 4 4 17962 1 . VAL 5 5 17962 1 . SER 6 6 17962 1 . ASN 7 7 17962 1 . VAL 8 8 17962 1 . ARG 9 9 17962 1 . ALA 10 10 17962 1 . ARG 11 11 17962 1 . ILE 12 12 17962 1 . TYR 13 13 17962 1 . LYS 14 14 17962 1 . PRO 15 15 17962 1 . ALA 16 16 17962 1 . LYS 17 17 17962 1 . SER 18 18 17962 1 . THR 19 19 17962 1 . MET 20 20 17962 1 . GLN 21 21 17962 1 . SER 22 22 17962 1 . GLY 23 23 17962 1 . HIS 24 24 17962 1 . SER 25 25 17962 1 . LYS 26 26 17962 1 . LEU 27 27 17962 1 . LYS 28 28 17962 1 . ALA 29 29 17962 1 . TRP 30 30 17962 1 . LYS 31 31 17962 1 . LEU 32 32 17962 1 . GLU 33 33 17962 1 . PHE 34 34 17962 1 . GLU 35 35 17962 1 . PRO 36 36 17962 1 . SER 37 37 17962 1 . CYS 38 38 17962 1 . THR 39 39 17962 1 . GLN 40 40 17962 1 . TYR 41 41 17962 1 . THR 42 42 17962 1 . GLU 43 43 17962 1 . PRO 44 44 17962 1 . LEU 45 45 17962 1 . MET 46 46 17962 1 . ASN 47 47 17962 1 . TRP 48 48 17962 1 . THR 49 49 17962 1 . GLY 50 50 17962 1 . SER 51 51 17962 1 . HIS 52 52 17962 1 . ASP 53 53 17962 1 . THR 54 54 17962 1 . LYS 55 55 17962 1 . GLN 56 56 17962 1 . GLN 57 57 17962 1 . VAL 58 58 17962 1 . CYS 59 59 17962 1 . LEU 60 60 17962 1 . SER 61 61 17962 1 . PHE 62 62 17962 1 . THR 63 63 17962 1 . THR 64 64 17962 1 . ARG 65 65 17962 1 . GLU 66 66 17962 1 . LEU 67 67 17962 1 . ALA 68 68 17962 1 . ILE 69 69 17962 1 . ALA 70 70 17962 1 . TYR 71 71 17962 1 . ALA 72 72 17962 1 . VAL 73 73 17962 1 . ALA 74 74 17962 1 . HIS 75 75 17962 1 . LYS 76 76 17962 1 . ILE 77 77 17962 1 . ASP 78 78 17962 1 . TYR 79 79 17962 1 . THR 80 80 17962 1 . VAL 81 81 17962 1 . LEU 82 82 17962 1 . GLN 83 83 17962 1 . ASP 84 84 17962 1 . ASN 85 85 17962 1 . PRO 86 86 17962 1 . ARG 87 87 17962 1 . THR 88 88 17962 1 . ILE 89 89 17962 1 . VAL 90 90 17962 1 . PRO 91 91 17962 1 . LYS 92 92 17962 1 . SER 93 93 17962 1 . TYR 94 94 17962 1 . ALA 95 95 17962 1 . ASP 96 96 17962 1 . ASN 97 97 17962 1 . PHE 98 98 17962 1 . THR 99 99 17962 1 . LYS 100 100 17962 1 . PRO 101 101 17962 1 . ARG 102 102 17962 1 . ASP 103 103 17962 1 . MET 104 104 17962 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 17962 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $oxidoreductase . 945 organism . 'Ehrlichia chaffeensis' 'Ehrlichia chaffeensis' . . Bacteria . Ehrlichia chaffeensis . . . . . . . . . . . . . . . . . . . . . 17962 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 17962 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $oxidoreductase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Ava . . . . . . 17962 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17962 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 oxidoreductase '[U-95% 15N]' . . 1 $oxidoreductase . . 0.5 . . mM . . . . 17962 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17962 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17962 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17962 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17962 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17962 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17962 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 oxidoreductase '[U-95% 13C; U-95% 15N]' . . 1 $oxidoreductase . . 0.5 . . mM . . . . 17962 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17962 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17962 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17962 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17962 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17962 2 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 17962 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 17962 1 pressure 1 . atm 17962 1 temperature 298 . K 17962 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17962 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17962 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17962 1 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17962 _Software.ID 2 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17962 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure display' 17962 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17962 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17962 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17962 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17962 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17962 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17962 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17962 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17962 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17962 5 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 17962 _Software.ID 6 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17962 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17962 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17962 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17962 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17962 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 500 . . . 17962 1 2 spectrometer_2 Bruker Avance . 600 . . . 17962 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 17962 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 6 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17962 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17962 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17962 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17962 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17962 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17962 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17962 1 2 '2D 1H-13C HSQC' . . . 17962 1 4 '3D CBCA(CO)NH' . . . 17962 1 5 '3D HNCO' . . . 17962 1 7 '3D HNCACB' . . . 17962 1 9 '3D HCCH-TOCSY' . . . 17962 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.490 0.000 . 1 . . . A 1 MET HA . 17962 1 2 . 1 1 1 1 MET C C 13 176.264 0.006 . 1 . . . A 1 MET C . 17962 1 3 . 1 1 1 1 MET CA C 13 55.401 0.022 . 1 . . . A 1 MET CA . 17962 1 4 . 1 1 1 1 MET CB C 13 32.297 0.000 . 1 . . . A 1 MET CB . 17962 1 5 . 1 1 1 1 MET N N 15 122.139 0.063 . 1 . . . A 1 MET N . 17962 1 6 . 1 1 2 2 GLN H H 1 8.389 0.004 . 1 . . . A 2 GLN H . 17962 1 7 . 1 1 2 2 GLN CA C 13 55.662 0.014 . 1 . . . A 2 GLN CA . 17962 1 8 . 1 1 2 2 GLN CB C 13 28.959 0.000 . 1 . . . A 2 GLN CB . 17962 1 9 . 1 1 2 2 GLN N N 15 121.079 0.096 . 1 . . . A 2 GLN N . 17962 1 10 . 1 1 3 3 GLU H H 1 8.432 0.002 . 1 . . . A 3 GLU H . 17962 1 11 . 1 1 3 3 GLU HA H 1 4.338 0.000 . 1 . . . A 3 GLU HA . 17962 1 12 . 1 1 3 3 GLU HB3 H 1 1.820 0.000 . 2 . . . A 3 GLU HB3 . 17962 1 13 . 1 1 3 3 GLU C C 13 176.379 0.036 . 1 . . . A 3 GLU C . 17962 1 14 . 1 1 3 3 GLU CA C 13 56.016 0.033 . 1 . . . A 3 GLU CA . 17962 1 15 . 1 1 3 3 GLU CB C 13 31.865 0.002 . 1 . . . A 3 GLU CB . 17962 1 16 . 1 1 3 3 GLU N N 15 121.939 0.064 . 1 . . . A 3 GLU N . 17962 1 17 . 1 1 4 4 GLN H H 1 8.240 0.002 . 1 . . . A 4 GLN H . 17962 1 18 . 1 1 4 4 GLN HA H 1 4.387 0.001 . 1 . . . A 4 GLN HA . 17962 1 19 . 1 1 4 4 GLN HB2 H 1 2.118 0.000 . 2 . . . A 4 GLN HB2 . 17962 1 20 . 1 1 4 4 GLN HB3 H 1 2.012 0.000 . 2 . . . A 4 GLN HB3 . 17962 1 21 . 1 1 4 4 GLN HG3 H 1 2.372 0.000 . 2 . . . A 4 GLN HG3 . 17962 1 22 . 1 1 4 4 GLN C C 13 175.811 0.000 . 1 . . . A 4 GLN C . 17962 1 23 . 1 1 4 4 GLN CA C 13 55.336 0.051 . 1 . . . A 4 GLN CA . 17962 1 24 . 1 1 4 4 GLN CB C 13 29.032 0.008 . 1 . . . A 4 GLN CB . 17962 1 25 . 1 1 4 4 GLN CG C 13 33.465 0.047 . 1 . . . A 4 GLN CG . 17962 1 26 . 1 1 4 4 GLN N N 15 120.510 0.044 . 1 . . . A 4 GLN N . 17962 1 27 . 1 1 5 5 VAL H H 1 8.247 0.001 . 1 . . . A 5 VAL H . 17962 1 28 . 1 1 5 5 VAL HA H 1 4.202 0.001 . 1 . . . A 5 VAL HA . 17962 1 29 . 1 1 5 5 VAL HB H 1 2.119 0.003 . 1 . . . A 5 VAL HB . 17962 1 30 . 1 1 5 5 VAL HG11 H 1 0.950 0.000 . 1 . . . A 5 VAL HG11 . 17962 1 31 . 1 1 5 5 VAL HG12 H 1 0.950 0.000 . 1 . . . A 5 VAL HG12 . 17962 1 32 . 1 1 5 5 VAL HG13 H 1 0.950 0.000 . 1 . . . A 5 VAL HG13 . 17962 1 33 . 1 1 5 5 VAL HG21 H 1 0.948 0.003 . 1 . . . A 5 VAL HG21 . 17962 1 34 . 1 1 5 5 VAL HG22 H 1 0.948 0.003 . 1 . . . A 5 VAL HG22 . 17962 1 35 . 1 1 5 5 VAL HG23 H 1 0.948 0.003 . 1 . . . A 5 VAL HG23 . 17962 1 36 . 1 1 5 5 VAL C C 13 175.943 0.000 . 1 . . . A 5 VAL C . 17962 1 37 . 1 1 5 5 VAL CA C 13 61.773 0.086 . 1 . . . A 5 VAL CA . 17962 1 38 . 1 1 5 5 VAL CB C 13 32.387 0.048 . 1 . . . A 5 VAL CB . 17962 1 39 . 1 1 5 5 VAL CG1 C 13 20.788 0.053 . 2 . . . A 5 VAL CG1 . 17962 1 40 . 1 1 5 5 VAL CG2 C 13 19.843 0.051 . 2 . . . A 5 VAL CG2 . 17962 1 41 . 1 1 5 5 VAL N N 15 121.358 0.007 . 1 . . . A 5 VAL N . 17962 1 42 . 1 1 6 6 SER H H 1 8.444 0.001 . 1 . . . A 6 SER H . 17962 1 43 . 1 1 6 6 SER HA H 1 4.545 0.001 . 1 . . . A 6 SER HA . 17962 1 44 . 1 1 6 6 SER HB3 H 1 3.893 0.002 . 2 . . . A 6 SER HB3 . 17962 1 45 . 1 1 6 6 SER C C 13 173.962 0.000 . 1 . . . A 6 SER C . 17962 1 46 . 1 1 6 6 SER CA C 13 57.727 0.080 . 1 . . . A 6 SER CA . 17962 1 47 . 1 1 6 6 SER CB C 13 63.694 0.073 . 1 . . . A 6 SER CB . 17962 1 48 . 1 1 6 6 SER N N 15 119.239 0.017 . 1 . . . A 6 SER N . 17962 1 49 . 1 1 7 7 ASN H H 1 8.553 0.001 . 1 . . . A 7 ASN H . 17962 1 50 . 1 1 7 7 ASN HA H 1 4.819 0.000 . 1 . . . A 7 ASN HA . 17962 1 51 . 1 1 7 7 ASN HB2 H 1 2.888 0.009 . 2 . . . A 7 ASN HB2 . 17962 1 52 . 1 1 7 7 ASN HB3 H 1 2.787 0.001 . 2 . . . A 7 ASN HB3 . 17962 1 53 . 1 1 7 7 ASN HD21 H 1 7.648 0.000 . 2 . . . A 7 ASN HD21 . 17962 1 54 . 1 1 7 7 ASN HD22 H 1 6.946 0.000 . 2 . . . A 7 ASN HD22 . 17962 1 55 . 1 1 7 7 ASN C C 13 174.815 0.000 . 1 . . . A 7 ASN C . 17962 1 56 . 1 1 7 7 ASN CA C 13 52.925 0.069 . 1 . . . A 7 ASN CA . 17962 1 57 . 1 1 7 7 ASN CB C 13 38.492 0.053 . 1 . . . A 7 ASN CB . 17962 1 58 . 1 1 7 7 ASN N N 15 121.138 0.011 . 1 . . . A 7 ASN N . 17962 1 59 . 1 1 7 7 ASN ND2 N 15 112.653 0.008 . 1 . . . A 7 ASN ND2 . 17962 1 60 . 1 1 8 8 VAL H H 1 8.320 0.001 . 1 . . . A 8 VAL H . 17962 1 61 . 1 1 8 8 VAL HA H 1 4.269 0.004 . 1 . . . A 8 VAL HA . 17962 1 62 . 1 1 8 8 VAL HB H 1 2.151 0.002 . 1 . . . A 8 VAL HB . 17962 1 63 . 1 1 8 8 VAL HG21 H 1 1.013 0.007 . 1 . . . A 8 VAL HG21 . 17962 1 64 . 1 1 8 8 VAL HG22 H 1 1.013 0.007 . 1 . . . A 8 VAL HG22 . 17962 1 65 . 1 1 8 8 VAL HG23 H 1 1.013 0.007 . 1 . . . A 8 VAL HG23 . 17962 1 66 . 1 1 8 8 VAL C C 13 174.697 0.000 . 1 . . . A 8 VAL C . 17962 1 67 . 1 1 8 8 VAL CA C 13 62.112 0.021 . 1 . . . A 8 VAL CA . 17962 1 68 . 1 1 8 8 VAL CB C 13 32.563 0.065 . 1 . . . A 8 VAL CB . 17962 1 69 . 1 1 8 8 VAL CG2 C 13 20.641 0.000 . 2 . . . A 8 VAL CG2 . 17962 1 70 . 1 1 8 8 VAL N N 15 120.844 0.028 . 1 . . . A 8 VAL N . 17962 1 71 . 1 1 9 9 ARG H H 1 8.489 0.007 . 1 . . . A 9 ARG H . 17962 1 72 . 1 1 9 9 ARG HA H 1 5.132 0.000 . 1 . . . A 9 ARG HA . 17962 1 73 . 1 1 9 9 ARG HB2 H 1 1.829 0.000 . 2 . . . A 9 ARG HB2 . 17962 1 74 . 1 1 9 9 ARG HB3 H 1 1.717 0.000 . 2 . . . A 9 ARG HB3 . 17962 1 75 . 1 1 9 9 ARG HD3 H 1 3.177 0.000 . 2 . . . A 9 ARG HD3 . 17962 1 76 . 1 1 9 9 ARG C C 13 175.472 0.000 . 1 . . . A 9 ARG C . 17962 1 77 . 1 1 9 9 ARG CA C 13 54.782 0.014 . 1 . . . A 9 ARG CA . 17962 1 78 . 1 1 9 9 ARG CB C 13 32.625 0.009 . 1 . . . A 9 ARG CB . 17962 1 79 . 1 1 9 9 ARG CD C 13 43.367 0.000 . 1 . . . A 9 ARG CD . 17962 1 80 . 1 1 9 9 ARG N N 15 124.794 0.056 . 1 . . . A 9 ARG N . 17962 1 81 . 1 1 10 10 ALA H H 1 8.512 0.003 . 1 . . . A 10 ALA H . 17962 1 82 . 1 1 10 10 ALA HA H 1 5.153 0.000 . 1 . . . A 10 ALA HA . 17962 1 83 . 1 1 10 10 ALA HB1 H 1 1.061 0.004 . 1 . . . A 10 ALA HB1 . 17962 1 84 . 1 1 10 10 ALA HB2 H 1 1.061 0.004 . 1 . . . A 10 ALA HB2 . 17962 1 85 . 1 1 10 10 ALA HB3 H 1 1.061 0.004 . 1 . . . A 10 ALA HB3 . 17962 1 86 . 1 1 10 10 ALA C C 13 176.011 0.000 . 1 . . . A 10 ALA C . 17962 1 87 . 1 1 10 10 ALA CA C 13 50.681 0.028 . 1 . . . A 10 ALA CA . 17962 1 88 . 1 1 10 10 ALA CB C 13 23.325 0.026 . 1 . . . A 10 ALA CB . 17962 1 89 . 1 1 10 10 ALA N N 15 121.587 0.016 . 1 . . . A 10 ALA N . 17962 1 90 . 1 1 11 11 ARG H H 1 9.008 0.003 . 1 . . . A 11 ARG H . 17962 1 91 . 1 1 11 11 ARG HA H 1 5.339 0.000 . 1 . . . A 11 ARG HA . 17962 1 92 . 1 1 11 11 ARG HB3 H 1 1.830 0.000 . 2 . . . A 11 ARG HB3 . 17962 1 93 . 1 1 11 11 ARG C C 13 174.710 0.000 . 1 . . . A 11 ARG C . 17962 1 94 . 1 1 11 11 ARG CA C 13 54.044 0.049 . 1 . . . A 11 ARG CA . 17962 1 95 . 1 1 11 11 ARG CB C 13 32.794 0.036 . 1 . . . A 11 ARG CB . 17962 1 96 . 1 1 11 11 ARG CG C 13 26.800 0.000 . 1 . . . A 11 ARG CG . 17962 1 97 . 1 1 11 11 ARG CD C 13 43.192 0.051 . 1 . . . A 11 ARG CD . 17962 1 98 . 1 1 11 11 ARG N N 15 119.573 0.018 . 1 . . . A 11 ARG N . 17962 1 99 . 1 1 12 12 ILE H H 1 8.908 0.003 . 1 . . . A 12 ILE H . 17962 1 100 . 1 1 12 12 ILE HA H 1 5.763 0.002 . 1 . . . A 12 ILE HA . 17962 1 101 . 1 1 12 12 ILE HB H 1 1.762 0.008 . 1 . . . A 12 ILE HB . 17962 1 102 . 1 1 12 12 ILE HG12 H 1 0.851 0.002 . 2 . . . A 12 ILE HG12 . 17962 1 103 . 1 1 12 12 ILE HG13 H 1 1.584 0.007 . 2 . . . A 12 ILE HG13 . 17962 1 104 . 1 1 12 12 ILE HG21 H 1 1.002 0.000 . 1 . . . A 12 ILE HG21 . 17962 1 105 . 1 1 12 12 ILE HG22 H 1 1.002 0.000 . 1 . . . A 12 ILE HG22 . 17962 1 106 . 1 1 12 12 ILE HG23 H 1 1.002 0.000 . 1 . . . A 12 ILE HG23 . 17962 1 107 . 1 1 12 12 ILE HD11 H 1 0.348 0.001 . 1 . . . A 12 ILE HD11 . 17962 1 108 . 1 1 12 12 ILE HD12 H 1 0.348 0.001 . 1 . . . A 12 ILE HD12 . 17962 1 109 . 1 1 12 12 ILE HD13 H 1 0.348 0.001 . 1 . . . A 12 ILE HD13 . 17962 1 110 . 1 1 12 12 ILE C C 13 174.880 0.000 . 1 . . . A 12 ILE C . 17962 1 111 . 1 1 12 12 ILE CA C 13 59.607 0.083 . 1 . . . A 12 ILE CA . 17962 1 112 . 1 1 12 12 ILE CB C 13 40.412 0.037 . 1 . . . A 12 ILE CB . 17962 1 113 . 1 1 12 12 ILE CG1 C 13 28.559 0.090 . 1 . . . A 12 ILE CG1 . 17962 1 114 . 1 1 12 12 ILE CG2 C 13 16.977 0.001 . 1 . . . A 12 ILE CG2 . 17962 1 115 . 1 1 12 12 ILE CD1 C 13 13.728 0.061 . 1 . . . A 12 ILE CD1 . 17962 1 116 . 1 1 12 12 ILE N N 15 123.253 0.024 . 1 . . . A 12 ILE N . 17962 1 117 . 1 1 13 13 TYR H H 1 9.022 0.002 . 1 . . . A 13 TYR H . 17962 1 118 . 1 1 13 13 TYR HA H 1 5.173 0.000 . 1 . . . A 13 TYR HA . 17962 1 119 . 1 1 13 13 TYR HB2 H 1 3.239 0.000 . 2 . . . A 13 TYR HB2 . 17962 1 120 . 1 1 13 13 TYR HB3 H 1 2.912 0.000 . 2 . . . A 13 TYR HB3 . 17962 1 121 . 1 1 13 13 TYR HD1 H 1 6.706 0.005 . 3 . . . A 13 TYR HD1 . 17962 1 122 . 1 1 13 13 TYR HD2 H 1 6.706 0.005 . 3 . . . A 13 TYR HD2 . 17962 1 123 . 1 1 13 13 TYR C C 13 171.159 0.002 . 1 . . . A 13 TYR C . 17962 1 124 . 1 1 13 13 TYR CA C 13 55.824 0.000 . 1 . . . A 13 TYR CA . 17962 1 125 . 1 1 13 13 TYR CB C 13 39.893 0.039 . 1 . . . A 13 TYR CB . 17962 1 126 . 1 1 13 13 TYR CD1 C 13 133.472 0.000 . 3 . . . A 13 TYR CD1 . 17962 1 127 . 1 1 13 13 TYR CD2 C 13 133.472 0.000 . 3 . . . A 13 TYR CD2 . 17962 1 128 . 1 1 13 13 TYR N N 15 123.009 0.015 . 1 . . . A 13 TYR N . 17962 1 129 . 1 1 14 14 LYS H H 1 8.438 0.001 . 1 . . . A 14 LYS H . 17962 1 130 . 1 1 14 14 LYS HA H 1 4.515 0.000 . 1 . . . A 14 LYS HA . 17962 1 131 . 1 1 14 14 LYS HB3 H 1 0.966 0.000 . 2 . . . A 14 LYS HB3 . 17962 1 132 . 1 1 14 14 LYS HG2 H 1 0.280 0.000 . 2 . . . A 14 LYS HG2 . 17962 1 133 . 1 1 14 14 LYS HG3 H 1 0.466 0.000 . 2 . . . A 14 LYS HG3 . 17962 1 134 . 1 1 14 14 LYS HD2 H 1 1.079 0.000 . 2 . . . A 14 LYS HD2 . 17962 1 135 . 1 1 14 14 LYS HD3 H 1 1.213 0.000 . 2 . . . A 14 LYS HD3 . 17962 1 136 . 1 1 14 14 LYS HE3 H 1 2.723 0.000 . 2 . . . A 14 LYS HE3 . 17962 1 137 . 1 1 14 14 LYS CA C 13 51.513 0.000 . 1 . . . A 14 LYS CA . 17962 1 138 . 1 1 14 14 LYS CB C 13 31.688 0.000 . 1 . . . A 14 LYS CB . 17962 1 139 . 1 1 14 14 LYS CG C 13 22.626 0.033 . 1 . . . A 14 LYS CG . 17962 1 140 . 1 1 14 14 LYS CD C 13 28.592 0.035 . 1 . . . A 14 LYS CD . 17962 1 141 . 1 1 14 14 LYS CE C 13 41.237 0.000 . 1 . . . A 14 LYS CE . 17962 1 142 . 1 1 14 14 LYS N N 15 122.911 0.015 . 1 . . . A 14 LYS N . 17962 1 143 . 1 1 15 15 PRO HA H 1 4.430 0.000 . 1 . . . A 15 PRO HA . 17962 1 144 . 1 1 15 15 PRO HB2 H 1 1.890 0.000 . 2 . . . A 15 PRO HB2 . 17962 1 145 . 1 1 15 15 PRO HB3 H 1 2.317 0.000 . 2 . . . A 15 PRO HB3 . 17962 1 146 . 1 1 15 15 PRO C C 13 176.165 0.000 . 1 . . . A 15 PRO C . 17962 1 147 . 1 1 15 15 PRO CA C 13 62.195 0.000 . 1 . . . A 15 PRO CA . 17962 1 148 . 1 1 15 15 PRO CB C 13 32.006 0.000 . 1 . . . A 15 PRO CB . 17962 1 149 . 1 1 15 15 PRO CG C 13 26.922 0.000 . 1 . . . A 15 PRO CG . 17962 1 150 . 1 1 15 15 PRO CD C 13 50.417 0.000 . 1 . . . A 15 PRO CD . 17962 1 151 . 1 1 16 16 ALA H H 1 8.525 0.002 . 1 . . . A 16 ALA H . 17962 1 152 . 1 1 16 16 ALA HA H 1 4.230 0.000 . 1 . . . A 16 ALA HA . 17962 1 153 . 1 1 16 16 ALA HB1 H 1 1.412 0.000 . 1 . . . A 16 ALA HB1 . 17962 1 154 . 1 1 16 16 ALA HB2 H 1 1.412 0.000 . 1 . . . A 16 ALA HB2 . 17962 1 155 . 1 1 16 16 ALA HB3 H 1 1.412 0.000 . 1 . . . A 16 ALA HB3 . 17962 1 156 . 1 1 16 16 ALA C C 13 177.959 0.000 . 1 . . . A 16 ALA C . 17962 1 157 . 1 1 16 16 ALA CA C 13 52.269 0.067 . 1 . . . A 16 ALA CA . 17962 1 158 . 1 1 16 16 ALA CB C 13 18.649 0.024 . 1 . . . A 16 ALA CB . 17962 1 159 . 1 1 16 16 ALA N N 15 124.594 0.019 . 1 . . . A 16 ALA N . 17962 1 160 . 1 1 17 17 LYS H H 1 8.301 0.002 . 1 . . . A 17 LYS H . 17962 1 161 . 1 1 17 17 LYS CA C 13 56.043 0.031 . 1 . . . A 17 LYS CA . 17962 1 162 . 1 1 17 17 LYS CB C 13 28.985 0.000 . 1 . . . A 17 LYS CB . 17962 1 163 . 1 1 17 17 LYS N N 15 120.363 0.006 . 1 . . . A 17 LYS N . 17962 1 164 . 1 1 19 19 THR C C 13 173.134 0.000 . 1 . . . A 19 THR C . 17962 1 165 . 1 1 20 20 MET H H 1 8.271 0.004 . 1 . . . A 20 MET H . 17962 1 166 . 1 1 20 20 MET CA C 13 53.953 0.000 . 1 . . . A 20 MET CA . 17962 1 167 . 1 1 20 20 MET CB C 13 29.905 0.000 . 1 . . . A 20 MET CB . 17962 1 168 . 1 1 20 20 MET N N 15 122.417 0.000 . 1 . . . A 20 MET N . 17962 1 169 . 1 1 21 21 GLN HA H 1 4.339 0.000 . 1 . . . A 21 GLN HA . 17962 1 170 . 1 1 21 21 GLN HB2 H 1 2.107 0.000 . 2 . . . A 21 GLN HB2 . 17962 1 171 . 1 1 21 21 GLN HB3 H 1 1.953 0.000 . 2 . . . A 21 GLN HB3 . 17962 1 172 . 1 1 21 21 GLN C C 13 175.870 0.000 . 1 . . . A 21 GLN C . 17962 1 173 . 1 1 21 21 GLN CA C 13 55.653 0.000 . 1 . . . A 21 GLN CA . 17962 1 174 . 1 1 21 21 GLN CB C 13 29.033 0.000 . 1 . . . A 21 GLN CB . 17962 1 175 . 1 1 22 22 SER H H 1 8.372 0.001 . 1 . . . A 22 SER H . 17962 1 176 . 1 1 22 22 SER HA H 1 3.875 0.000 . 1 . . . A 22 SER HA . 17962 1 177 . 1 1 22 22 SER HB3 H 1 4.413 0.000 . 2 . . . A 22 SER HB3 . 17962 1 178 . 1 1 22 22 SER C C 13 175.084 0.000 . 1 . . . A 22 SER C . 17962 1 179 . 1 1 22 22 SER CA C 13 58.098 0.000 . 1 . . . A 22 SER CA . 17962 1 180 . 1 1 22 22 SER CB C 13 63.413 0.048 . 1 . . . A 22 SER CB . 17962 1 181 . 1 1 22 22 SER N N 15 116.763 0.012 . 1 . . . A 22 SER N . 17962 1 182 . 1 1 23 23 GLY H H 1 8.549 0.011 . 1 . . . A 23 GLY H . 17962 1 183 . 1 1 23 23 GLY CA C 13 44.950 0.000 . 1 . . . A 23 GLY CA . 17962 1 184 . 1 1 23 23 GLY N N 15 110.854 0.062 . 1 . . . A 23 GLY N . 17962 1 185 . 1 1 24 24 HIS CA C 13 58.161 0.000 . 1 . . . A 24 HIS CA . 17962 1 186 . 1 1 24 24 HIS CB C 13 27.716 0.000 . 1 . . . A 24 HIS CB . 17962 1 187 . 1 1 25 25 SER H H 1 8.194 0.005 . 1 . . . A 25 SER H . 17962 1 188 . 1 1 25 25 SER HA H 1 4.299 0.000 . 1 . . . A 25 SER HA . 17962 1 189 . 1 1 25 25 SER C C 13 174.781 0.000 . 1 . . . A 25 SER C . 17962 1 190 . 1 1 25 25 SER CA C 13 61.904 0.006 . 1 . . . A 25 SER CA . 17962 1 191 . 1 1 25 25 SER N N 15 115.769 0.071 . 1 . . . A 25 SER N . 17962 1 192 . 1 1 26 26 LYS H H 1 8.334 0.002 . 1 . . . A 26 LYS H . 17962 1 193 . 1 1 26 26 LYS HA H 1 4.290 0.000 . 1 . . . A 26 LYS HA . 17962 1 194 . 1 1 26 26 LYS HB2 H 1 1.859 0.000 . 2 . . . A 26 LYS HB2 . 17962 1 195 . 1 1 26 26 LYS HB3 H 1 1.743 0.000 . 2 . . . A 26 LYS HB3 . 17962 1 196 . 1 1 26 26 LYS C C 13 176.445 0.000 . 1 . . . A 26 LYS C . 17962 1 197 . 1 1 26 26 LYS CA C 13 56.169 0.063 . 1 . . . A 26 LYS CA . 17962 1 198 . 1 1 26 26 LYS CB C 13 32.138 0.015 . 1 . . . A 26 LYS CB . 17962 1 199 . 1 1 26 26 LYS CE C 13 41.626 0.000 . 1 . . . A 26 LYS CE . 17962 1 200 . 1 1 26 26 LYS N N 15 122.841 0.016 . 1 . . . A 26 LYS N . 17962 1 201 . 1 1 27 27 LEU H H 1 8.012 0.003 . 1 . . . A 27 LEU H . 17962 1 202 . 1 1 27 27 LEU HA H 1 4.259 0.003 . 1 . . . A 27 LEU HA . 17962 1 203 . 1 1 27 27 LEU HB3 H 1 1.584 0.006 . 2 . . . A 27 LEU HB3 . 17962 1 204 . 1 1 27 27 LEU HG H 1 1.581 0.005 . 1 . . . A 27 LEU HG . 17962 1 205 . 1 1 27 27 LEU HD11 H 1 0.857 0.001 . 1 . . . A 27 LEU HD11 . 17962 1 206 . 1 1 27 27 LEU HD12 H 1 0.857 0.001 . 1 . . . A 27 LEU HD12 . 17962 1 207 . 1 1 27 27 LEU HD13 H 1 0.857 0.001 . 1 . . . A 27 LEU HD13 . 17962 1 208 . 1 1 27 27 LEU HD21 H 1 0.893 0.002 . 1 . . . A 27 LEU HD21 . 17962 1 209 . 1 1 27 27 LEU HD22 H 1 0.893 0.002 . 1 . . . A 27 LEU HD22 . 17962 1 210 . 1 1 27 27 LEU HD23 H 1 0.893 0.002 . 1 . . . A 27 LEU HD23 . 17962 1 211 . 1 1 27 27 LEU C C 13 177.277 0.000 . 1 . . . A 27 LEU C . 17962 1 212 . 1 1 27 27 LEU CA C 13 55.139 0.072 . 1 . . . A 27 LEU CA . 17962 1 213 . 1 1 27 27 LEU CB C 13 41.974 0.031 . 1 . . . A 27 LEU CB . 17962 1 214 . 1 1 27 27 LEU CG C 13 26.644 0.011 . 1 . . . A 27 LEU CG . 17962 1 215 . 1 1 27 27 LEU CD1 C 13 23.163 0.053 . 2 . . . A 27 LEU CD1 . 17962 1 216 . 1 1 27 27 LEU CD2 C 13 24.203 0.038 . 2 . . . A 27 LEU CD2 . 17962 1 217 . 1 1 27 27 LEU N N 15 121.597 0.014 . 1 . . . A 27 LEU N . 17962 1 218 . 1 1 28 28 LYS H H 1 8.214 0.002 . 1 . . . A 28 LYS H . 17962 1 219 . 1 1 28 28 LYS HA H 1 4.299 0.000 . 1 . . . A 28 LYS HA . 17962 1 220 . 1 1 28 28 LYS HB2 H 1 1.635 0.000 . 2 . . . A 28 LYS HB2 . 17962 1 221 . 1 1 28 28 LYS HB3 H 1 1.479 0.000 . 2 . . . A 28 LYS HB3 . 17962 1 222 . 1 1 28 28 LYS HE3 H 1 2.904 0.000 . 2 . . . A 28 LYS HE3 . 17962 1 223 . 1 1 28 28 LYS C C 13 175.377 0.000 . 1 . . . A 28 LYS C . 17962 1 224 . 1 1 28 28 LYS CA C 13 55.252 0.026 . 1 . . . A 28 LYS CA . 17962 1 225 . 1 1 28 28 LYS CB C 13 31.854 0.012 . 1 . . . A 28 LYS CB . 17962 1 226 . 1 1 28 28 LYS CG C 13 24.140 0.000 . 1 . . . A 28 LYS CG . 17962 1 227 . 1 1 28 28 LYS CD C 13 28.952 0.000 . 1 . . . A 28 LYS CD . 17962 1 228 . 1 1 28 28 LYS CE C 13 41.703 0.000 . 1 . . . A 28 LYS CE . 17962 1 229 . 1 1 28 28 LYS N N 15 122.665 0.037 . 1 . . . A 28 LYS N . 17962 1 230 . 1 1 29 29 ALA H H 1 8.102 0.002 . 1 . . . A 29 ALA H . 17962 1 231 . 1 1 29 29 ALA HA H 1 4.076 0.001 . 1 . . . A 29 ALA HA . 17962 1 232 . 1 1 29 29 ALA HB1 H 1 1.358 0.001 . 1 . . . A 29 ALA HB1 . 17962 1 233 . 1 1 29 29 ALA HB2 H 1 1.358 0.001 . 1 . . . A 29 ALA HB2 . 17962 1 234 . 1 1 29 29 ALA HB3 H 1 1.358 0.001 . 1 . . . A 29 ALA HB3 . 17962 1 235 . 1 1 29 29 ALA C C 13 176.946 0.000 . 1 . . . A 29 ALA C . 17962 1 236 . 1 1 29 29 ALA CA C 13 53.189 0.005 . 1 . . . A 29 ALA CA . 17962 1 237 . 1 1 29 29 ALA CB C 13 20.288 0.021 . 1 . . . A 29 ALA CB . 17962 1 238 . 1 1 29 29 ALA N N 15 123.209 0.010 . 1 . . . A 29 ALA N . 17962 1 239 . 1 1 30 30 TRP H H 1 8.412 0.001 . 1 . . . A 30 TRP H . 17962 1 240 . 1 1 30 30 TRP HA H 1 4.345 0.000 . 1 . . . A 30 TRP HA . 17962 1 241 . 1 1 30 30 TRP HB2 H 1 2.828 0.000 . 2 . . . A 30 TRP HB2 . 17962 1 242 . 1 1 30 30 TRP HB3 H 1 2.702 0.000 . 2 . . . A 30 TRP HB3 . 17962 1 243 . 1 1 30 30 TRP HD1 H 1 6.968 0.007 . 1 . . . A 30 TRP HD1 . 17962 1 244 . 1 1 30 30 TRP HE1 H 1 10.340 0.001 . 1 . . . A 30 TRP HE1 . 17962 1 245 . 1 1 30 30 TRP HE3 H 1 7.182 0.014 . 1 . . . A 30 TRP HE3 . 17962 1 246 . 1 1 30 30 TRP HZ3 H 1 6.991 0.000 . 1 . . . A 30 TRP HZ3 . 17962 1 247 . 1 1 30 30 TRP C C 13 175.128 0.001 . 1 . . . A 30 TRP C . 17962 1 248 . 1 1 30 30 TRP CA C 13 56.853 0.081 . 1 . . . A 30 TRP CA . 17962 1 249 . 1 1 30 30 TRP CB C 13 29.362 0.040 . 1 . . . A 30 TRP CB . 17962 1 250 . 1 1 30 30 TRP CD1 C 13 125.962 0.000 . 1 . . . A 30 TRP CD1 . 17962 1 251 . 1 1 30 30 TRP N N 15 129.172 0.000 . 1 . . . A 30 TRP N . 17962 1 252 . 1 1 30 30 TRP NE1 N 15 129.184 0.000 . 1 . . . A 30 TRP NE1 . 17962 1 253 . 1 1 31 31 LYS H H 1 9.096 0.002 . 1 . . . A 31 LYS H . 17962 1 254 . 1 1 31 31 LYS HA H 1 5.095 0.000 . 1 . . . A 31 LYS HA . 17962 1 255 . 1 1 31 31 LYS HB2 H 1 1.285 0.004 . 2 . . . A 31 LYS HB2 . 17962 1 256 . 1 1 31 31 LYS HB3 H 1 1.001 0.009 . 2 . . . A 31 LYS HB3 . 17962 1 257 . 1 1 31 31 LYS HE3 H 1 2.829 0.000 . 2 . . . A 31 LYS HE3 . 17962 1 258 . 1 1 31 31 LYS C C 13 174.028 0.000 . 1 . . . A 31 LYS C . 17962 1 259 . 1 1 31 31 LYS CA C 13 53.503 0.017 . 1 . . . A 31 LYS CA . 17962 1 260 . 1 1 31 31 LYS CB C 13 34.849 0.037 . 1 . . . A 31 LYS CB . 17962 1 261 . 1 1 31 31 LYS CG C 13 24.654 0.000 . 1 . . . A 31 LYS CG . 17962 1 262 . 1 1 31 31 LYS CD C 13 28.588 0.000 . 1 . . . A 31 LYS CD . 17962 1 263 . 1 1 31 31 LYS CE C 13 41.970 0.000 . 1 . . . A 31 LYS CE . 17962 1 264 . 1 1 31 31 LYS N N 15 122.290 0.014 . 1 . . . A 31 LYS N . 17962 1 265 . 1 1 32 32 LEU H H 1 8.667 0.004 . 1 . . . A 32 LEU H . 17962 1 266 . 1 1 32 32 LEU HA H 1 5.131 0.000 . 1 . . . A 32 LEU HA . 17962 1 267 . 1 1 32 32 LEU HB2 H 1 1.870 0.000 . 2 . . . A 32 LEU HB2 . 17962 1 268 . 1 1 32 32 LEU HB3 H 1 1.314 0.000 . 2 . . . A 32 LEU HB3 . 17962 1 269 . 1 1 32 32 LEU HG H 1 0.711 0.000 . 1 . . . A 32 LEU HG . 17962 1 270 . 1 1 32 32 LEU HD21 H 1 0.477 0.000 . 1 . . . A 32 LEU HD21 . 17962 1 271 . 1 1 32 32 LEU HD22 H 1 0.477 0.000 . 1 . . . A 32 LEU HD22 . 17962 1 272 . 1 1 32 32 LEU HD23 H 1 0.477 0.000 . 1 . . . A 32 LEU HD23 . 17962 1 273 . 1 1 32 32 LEU C C 13 174.186 0.000 . 1 . . . A 32 LEU C . 17962 1 274 . 1 1 32 32 LEU CA C 13 53.829 0.055 . 1 . . . A 32 LEU CA . 17962 1 275 . 1 1 32 32 LEU CB C 13 45.668 0.029 . 1 . . . A 32 LEU CB . 17962 1 276 . 1 1 32 32 LEU CG C 13 26.850 0.000 . 1 . . . A 32 LEU CG . 17962 1 277 . 1 1 32 32 LEU CD2 C 13 25.905 0.080 . 2 . . . A 32 LEU CD2 . 17962 1 278 . 1 1 32 32 LEU N N 15 123.282 0.023 . 1 . . . A 32 LEU N . 17962 1 279 . 1 1 33 33 GLU H H 1 9.332 0.002 . 1 . . . A 33 GLU H . 17962 1 280 . 1 1 33 33 GLU HA H 1 5.213 0.000 . 1 . . . A 33 GLU HA . 17962 1 281 . 1 1 33 33 GLU HB2 H 1 2.069 0.000 . 2 . . . A 33 GLU HB2 . 17962 1 282 . 1 1 33 33 GLU HB3 H 1 2.282 0.000 . 2 . . . A 33 GLU HB3 . 17962 1 283 . 1 1 33 33 GLU C C 13 175.647 0.000 . 1 . . . A 33 GLU C . 17962 1 284 . 1 1 33 33 GLU CA C 13 53.888 0.062 . 1 . . . A 33 GLU CA . 17962 1 285 . 1 1 33 33 GLU CB C 13 34.229 0.017 . 1 . . . A 33 GLU CB . 17962 1 286 . 1 1 33 33 GLU CG C 13 36.466 0.000 . 1 . . . A 33 GLU CG . 17962 1 287 . 1 1 33 33 GLU N N 15 126.755 0.021 . 1 . . . A 33 GLU N . 17962 1 288 . 1 1 34 34 PHE H H 1 8.741 0.001 . 1 . . . A 34 PHE H . 17962 1 289 . 1 1 34 34 PHE HA H 1 4.870 0.000 . 1 . . . A 34 PHE HA . 17962 1 290 . 1 1 34 34 PHE HB2 H 1 3.019 0.000 . 2 . . . A 34 PHE HB2 . 17962 1 291 . 1 1 34 34 PHE HB3 H 1 3.238 0.000 . 2 . . . A 34 PHE HB3 . 17962 1 292 . 1 1 34 34 PHE HD1 H 1 7.212 0.000 . 3 . . . A 34 PHE HD1 . 17962 1 293 . 1 1 34 34 PHE HD2 H 1 7.212 0.000 . 3 . . . A 34 PHE HD2 . 17962 1 294 . 1 1 34 34 PHE C C 13 175.172 0.000 . 1 . . . A 34 PHE C . 17962 1 295 . 1 1 34 34 PHE CA C 13 58.003 0.033 . 1 . . . A 34 PHE CA . 17962 1 296 . 1 1 34 34 PHE CB C 13 39.563 0.023 . 1 . . . A 34 PHE CB . 17962 1 297 . 1 1 34 34 PHE CD1 C 13 133.416 0.000 . 3 . . . A 34 PHE CD1 . 17962 1 298 . 1 1 34 34 PHE CD2 C 13 133.416 0.000 . 3 . . . A 34 PHE CD2 . 17962 1 299 . 1 1 34 34 PHE N N 15 125.009 0.013 . 1 . . . A 34 PHE N . 17962 1 300 . 1 1 35 35 GLU H H 1 8.698 0.001 . 1 . . . A 35 GLU H . 17962 1 301 . 1 1 35 35 GLU C C 13 174.835 0.000 . 1 . . . A 35 GLU C . 17962 1 302 . 1 1 35 35 GLU CA C 13 53.764 0.000 . 1 . . . A 35 GLU CA . 17962 1 303 . 1 1 35 35 GLU CB C 13 29.605 0.000 . 1 . . . A 35 GLU CB . 17962 1 304 . 1 1 35 35 GLU N N 15 122.571 0.050 . 1 . . . A 35 GLU N . 17962 1 305 . 1 1 36 36 PRO HA H 1 4.543 0.000 . 1 . . . A 36 PRO HA . 17962 1 306 . 1 1 36 36 PRO HB2 H 1 2.320 0.000 . 2 . . . A 36 PRO HB2 . 17962 1 307 . 1 1 36 36 PRO HB3 H 1 2.015 0.000 . 2 . . . A 36 PRO HB3 . 17962 1 308 . 1 1 36 36 PRO C C 13 176.879 0.000 . 1 . . . A 36 PRO C . 17962 1 309 . 1 1 36 36 PRO CA C 13 62.990 0.000 . 1 . . . A 36 PRO CA . 17962 1 310 . 1 1 36 36 PRO CB C 13 31.746 0.000 . 1 . . . A 36 PRO CB . 17962 1 311 . 1 1 36 36 PRO CG C 13 27.036 0.000 . 1 . . . A 36 PRO CG . 17962 1 312 . 1 1 36 36 PRO CD C 13 49.209 0.000 . 1 . . . A 36 PRO CD . 17962 1 313 . 1 1 37 37 SER H H 1 8.507 0.002 . 1 . . . A 37 SER H . 17962 1 314 . 1 1 37 37 SER HA H 1 3.849 0.000 . 1 . . . A 37 SER HA . 17962 1 315 . 1 1 37 37 SER C C 13 174.814 0.000 . 1 . . . A 37 SER C . 17962 1 316 . 1 1 37 37 SER CA C 13 58.292 0.000 . 1 . . . A 37 SER CA . 17962 1 317 . 1 1 37 37 SER CB C 13 63.486 0.000 . 1 . . . A 37 SER CB . 17962 1 318 . 1 1 37 37 SER N N 15 115.459 0.040 . 1 . . . A 37 SER N . 17962 1 319 . 1 1 38 38 CYS H H 1 8.423 0.001 . 1 . . . A 38 CYS H . 17962 1 320 . 1 1 38 38 CYS HA H 1 4.402 0.000 . 1 . . . A 38 CYS HA . 17962 1 321 . 1 1 38 38 CYS HB3 H 1 1.828 0.000 . 2 . . . A 38 CYS HB3 . 17962 1 322 . 1 1 38 38 CYS C C 13 176.552 0.000 . 1 . . . A 38 CYS C . 17962 1 323 . 1 1 38 38 CYS CA C 13 55.879 0.000 . 1 . . . A 38 CYS CA . 17962 1 324 . 1 1 38 38 CYS CB C 13 30.259 0.000 . 1 . . . A 38 CYS CB . 17962 1 325 . 1 1 38 38 CYS N N 15 122.863 0.001 . 1 . . . A 38 CYS N . 17962 1 326 . 1 1 39 39 THR H H 1 8.410 0.003 . 1 . . . A 39 THR H . 17962 1 327 . 1 1 39 39 THR HA H 1 4.229 0.000 . 1 . . . A 39 THR HA . 17962 1 328 . 1 1 39 39 THR C C 13 174.309 0.000 . 1 . . . A 39 THR C . 17962 1 329 . 1 1 39 39 THR CA C 13 61.844 0.030 . 1 . . . A 39 THR CA . 17962 1 330 . 1 1 39 39 THR CB C 13 69.236 0.056 . 1 . . . A 39 THR CB . 17962 1 331 . 1 1 39 39 THR N N 15 117.868 0.065 . 1 . . . A 39 THR N . 17962 1 332 . 1 1 40 40 GLN H H 1 8.292 0.004 . 1 . . . A 40 GLN H . 17962 1 333 . 1 1 40 40 GLN HA H 1 4.298 0.003 . 1 . . . A 40 GLN HA . 17962 1 334 . 1 1 40 40 GLN HB3 H 1 1.938 0.000 . 2 . . . A 40 GLN HB3 . 17962 1 335 . 1 1 40 40 GLN C C 13 175.407 0.038 . 1 . . . A 40 GLN C . 17962 1 336 . 1 1 40 40 GLN CA C 13 55.661 0.059 . 1 . . . A 40 GLN CA . 17962 1 337 . 1 1 40 40 GLN CB C 13 28.922 0.022 . 1 . . . A 40 GLN CB . 17962 1 338 . 1 1 40 40 GLN CG C 13 32.962 0.000 . 1 . . . A 40 GLN CG . 17962 1 339 . 1 1 40 40 GLN N N 15 121.814 0.073 . 1 . . . A 40 GLN N . 17962 1 340 . 1 1 41 41 TYR H H 1 8.188 0.002 . 1 . . . A 41 TYR H . 17962 1 341 . 1 1 41 41 TYR HA H 1 4.637 0.000 . 1 . . . A 41 TYR HA . 17962 1 342 . 1 1 41 41 TYR HB2 H 1 3.076 0.002 . 2 . . . A 41 TYR HB2 . 17962 1 343 . 1 1 41 41 TYR HB3 H 1 2.912 0.003 . 2 . . . A 41 TYR HB3 . 17962 1 344 . 1 1 41 41 TYR HD1 H 1 7.102 0.009 . 3 . . . A 41 TYR HD1 . 17962 1 345 . 1 1 41 41 TYR HD2 H 1 7.102 0.009 . 3 . . . A 41 TYR HD2 . 17962 1 346 . 1 1 41 41 TYR HE1 H 1 6.829 0.000 . 3 . . . A 41 TYR HE1 . 17962 1 347 . 1 1 41 41 TYR HE2 H 1 6.829 0.000 . 3 . . . A 41 TYR HE2 . 17962 1 348 . 1 1 41 41 TYR C C 13 175.716 0.050 . 1 . . . A 41 TYR C . 17962 1 349 . 1 1 41 41 TYR CA C 13 57.525 0.012 . 1 . . . A 41 TYR CA . 17962 1 350 . 1 1 41 41 TYR CB C 13 38.400 0.036 . 1 . . . A 41 TYR CB . 17962 1 351 . 1 1 41 41 TYR CD1 C 13 133.408 0.000 . 3 . . . A 41 TYR CD1 . 17962 1 352 . 1 1 41 41 TYR CD2 C 13 133.408 0.000 . 3 . . . A 41 TYR CD2 . 17962 1 353 . 1 1 41 41 TYR N N 15 120.855 0.025 . 1 . . . A 41 TYR N . 17962 1 354 . 1 1 42 42 THR H H 1 7.961 0.001 . 1 . . . A 42 THR H . 17962 1 355 . 1 1 42 42 THR HA H 1 4.289 0.000 . 1 . . . A 42 THR HA . 17962 1 356 . 1 1 42 42 THR HB H 1 4.170 0.000 . 1 . . . A 42 THR HB . 17962 1 357 . 1 1 42 42 THR HG21 H 1 1.177 0.001 . 1 . . . A 42 THR HG21 . 17962 1 358 . 1 1 42 42 THR HG22 H 1 1.177 0.001 . 1 . . . A 42 THR HG22 . 17962 1 359 . 1 1 42 42 THR HG23 H 1 1.177 0.001 . 1 . . . A 42 THR HG23 . 17962 1 360 . 1 1 42 42 THR C C 13 173.917 0.010 . 1 . . . A 42 THR C . 17962 1 361 . 1 1 42 42 THR CA C 13 61.404 0.088 . 1 . . . A 42 THR CA . 17962 1 362 . 1 1 42 42 THR CB C 13 69.420 0.020 . 1 . . . A 42 THR CB . 17962 1 363 . 1 1 42 42 THR CG2 C 13 21.259 0.057 . 1 . . . A 42 THR CG2 . 17962 1 364 . 1 1 42 42 THR N N 15 115.141 0.011 . 1 . . . A 42 THR N . 17962 1 365 . 1 1 43 43 GLU H H 1 8.158 0.001 . 1 . . . A 43 GLU H . 17962 1 366 . 1 1 43 43 GLU C C 13 174.504 0.000 . 1 . . . A 43 GLU C . 17962 1 367 . 1 1 43 43 GLU CA C 13 54.539 0.000 . 1 . . . A 43 GLU CA . 17962 1 368 . 1 1 43 43 GLU CB C 13 29.217 0.000 . 1 . . . A 43 GLU CB . 17962 1 369 . 1 1 43 43 GLU N N 15 123.890 0.013 . 1 . . . A 43 GLU N . 17962 1 370 . 1 1 44 44 PRO HB3 H 1 2.266 0.000 . 2 . . . A 44 PRO HB3 . 17962 1 371 . 1 1 44 44 PRO C C 13 177.012 0.000 . 1 . . . A 44 PRO C . 17962 1 372 . 1 1 44 44 PRO CA C 13 63.218 0.000 . 1 . . . A 44 PRO CA . 17962 1 373 . 1 1 45 45 LEU H H 1 8.241 0.001 . 1 . . . A 45 LEU H . 17962 1 374 . 1 1 45 45 LEU HA H 1 4.281 0.000 . 1 . . . A 45 LEU HA . 17962 1 375 . 1 1 45 45 LEU HB2 H 1 1.634 0.000 . 2 . . . A 45 LEU HB2 . 17962 1 376 . 1 1 45 45 LEU HB3 H 1 1.554 0.000 . 2 . . . A 45 LEU HB3 . 17962 1 377 . 1 1 45 45 LEU HG H 1 1.585 0.000 . 1 . . . A 45 LEU HG . 17962 1 378 . 1 1 45 45 LEU HD11 H 1 0.864 0.000 . 1 . . . A 45 LEU HD11 . 17962 1 379 . 1 1 45 45 LEU HD12 H 1 0.864 0.000 . 1 . . . A 45 LEU HD12 . 17962 1 380 . 1 1 45 45 LEU HD13 H 1 0.864 0.000 . 1 . . . A 45 LEU HD13 . 17962 1 381 . 1 1 45 45 LEU HD21 H 1 0.825 0.000 . 1 . . . A 45 LEU HD21 . 17962 1 382 . 1 1 45 45 LEU HD22 H 1 0.825 0.000 . 1 . . . A 45 LEU HD22 . 17962 1 383 . 1 1 45 45 LEU HD23 H 1 0.825 0.000 . 1 . . . A 45 LEU HD23 . 17962 1 384 . 1 1 45 45 LEU C C 13 177.379 0.042 . 1 . . . A 45 LEU C . 17962 1 385 . 1 1 45 45 LEU CA C 13 54.951 0.000 . 1 . . . A 45 LEU CA . 17962 1 386 . 1 1 45 45 LEU CB C 13 41.541 0.016 . 1 . . . A 45 LEU CB . 17962 1 387 . 1 1 45 45 LEU CG C 13 26.604 0.000 . 1 . . . A 45 LEU CG . 17962 1 388 . 1 1 45 45 LEU CD1 C 13 24.549 0.000 . 2 . . . A 45 LEU CD1 . 17962 1 389 . 1 1 45 45 LEU CD2 C 13 23.020 0.000 . 2 . . . A 45 LEU CD2 . 17962 1 390 . 1 1 45 45 LEU N N 15 120.624 0.027 . 1 . . . A 45 LEU N . 17962 1 391 . 1 1 46 46 MET H H 1 8.167 0.004 . 1 . . . A 46 MET H . 17962 1 392 . 1 1 46 46 MET HA H 1 4.382 0.000 . 1 . . . A 46 MET HA . 17962 1 393 . 1 1 46 46 MET HB3 H 1 1.908 0.000 . 2 . . . A 46 MET HB3 . 17962 1 394 . 1 1 46 46 MET C C 13 175.772 0.000 . 1 . . . A 46 MET C . 17962 1 395 . 1 1 46 46 MET CA C 13 55.140 0.014 . 1 . . . A 46 MET CA . 17962 1 396 . 1 1 46 46 MET CB C 13 32.108 0.084 . 1 . . . A 46 MET CB . 17962 1 397 . 1 1 46 46 MET N N 15 119.535 0.028 . 1 . . . A 46 MET N . 17962 1 398 . 1 1 47 47 ASN H H 1 8.299 0.001 . 1 . . . A 47 ASN H . 17962 1 399 . 1 1 47 47 ASN HA H 1 4.668 0.000 . 1 . . . A 47 ASN HA . 17962 1 400 . 1 1 47 47 ASN HB3 H 1 2.784 0.000 . 2 . . . A 47 ASN HB3 . 17962 1 401 . 1 1 47 47 ASN HD21 H 1 6.905 0.000 . 2 . . . A 47 ASN HD21 . 17962 1 402 . 1 1 47 47 ASN HD22 H 1 7.585 0.000 . 2 . . . A 47 ASN HD22 . 17962 1 403 . 1 1 47 47 ASN C C 13 174.777 0.000 . 1 . . . A 47 ASN C . 17962 1 404 . 1 1 47 47 ASN CA C 13 52.854 0.040 . 1 . . . A 47 ASN CA . 17962 1 405 . 1 1 47 47 ASN CB C 13 38.142 0.000 . 1 . . . A 47 ASN CB . 17962 1 406 . 1 1 47 47 ASN N N 15 118.736 0.016 . 1 . . . A 47 ASN N . 17962 1 407 . 1 1 47 47 ASN ND2 N 15 112.631 0.003 . 1 . . . A 47 ASN ND2 . 17962 1 408 . 1 1 48 48 TRP H H 1 8.137 0.002 . 1 . . . A 48 TRP H . 17962 1 409 . 1 1 48 48 TRP HA H 1 4.737 0.000 . 1 . . . A 48 TRP HA . 17962 1 410 . 1 1 48 48 TRP HB3 H 1 3.282 0.002 . 2 . . . A 48 TRP HB3 . 17962 1 411 . 1 1 48 48 TRP HD1 H 1 7.244 0.000 . 1 . . . A 48 TRP HD1 . 17962 1 412 . 1 1 48 48 TRP HE1 H 1 10.129 0.000 . 1 . . . A 48 TRP HE1 . 17962 1 413 . 1 1 48 48 TRP C C 13 176.597 0.000 . 1 . . . A 48 TRP C . 17962 1 414 . 1 1 48 48 TRP CA C 13 57.223 0.066 . 1 . . . A 48 TRP CA . 17962 1 415 . 1 1 48 48 TRP CB C 13 29.260 0.024 . 1 . . . A 48 TRP CB . 17962 1 416 . 1 1 48 48 TRP CD1 C 13 127.394 0.000 . 1 . . . A 48 TRP CD1 . 17962 1 417 . 1 1 48 48 TRP N N 15 129.619 0.000 . 1 . . . A 48 TRP N . 17962 1 418 . 1 1 48 48 TRP NE1 N 15 129.630 0.000 . 1 . . . A 48 TRP NE1 . 17962 1 419 . 1 1 49 49 THR H H 1 8.088 0.003 . 1 . . . A 49 THR H . 17962 1 420 . 1 1 49 49 THR HA H 1 4.235 0.000 . 1 . . . A 49 THR HA . 17962 1 421 . 1 1 49 49 THR C C 13 174.758 0.031 . 1 . . . A 49 THR C . 17962 1 422 . 1 1 49 49 THR CA C 13 61.509 0.000 . 1 . . . A 49 THR CA . 17962 1 423 . 1 1 49 49 THR CB C 13 69.356 0.003 . 1 . . . A 49 THR CB . 17962 1 424 . 1 1 49 49 THR CG2 C 13 20.681 0.000 . 1 . . . A 49 THR CG2 . 17962 1 425 . 1 1 49 49 THR N N 15 115.253 0.052 . 1 . . . A 49 THR N . 17962 1 426 . 1 1 50 50 GLY H H 1 7.571 0.004 . 1 . . . A 50 GLY H . 17962 1 427 . 1 1 50 50 GLY HA2 H 1 3.856 0.006 . 2 . . . A 50 GLY HA2 . 17962 1 428 . 1 1 50 50 GLY HA3 H 1 3.762 0.001 . 2 . . . A 50 GLY HA3 . 17962 1 429 . 1 1 50 50 GLY C C 13 173.786 0.000 . 1 . . . A 50 GLY C . 17962 1 430 . 1 1 50 50 GLY CA C 13 44.861 0.085 . 1 . . . A 50 GLY CA . 17962 1 431 . 1 1 50 50 GLY N N 15 110.068 0.020 . 1 . . . A 50 GLY N . 17962 1 432 . 1 1 51 51 SER H H 1 8.075 0.003 . 1 . . . A 51 SER H . 17962 1 433 . 1 1 51 51 SER C C 13 174.525 0.000 . 1 . . . A 51 SER C . 17962 1 434 . 1 1 51 51 SER CA C 13 57.694 0.000 . 1 . . . A 51 SER CA . 17962 1 435 . 1 1 51 51 SER CB C 13 63.488 0.000 . 1 . . . A 51 SER CB . 17962 1 436 . 1 1 51 51 SER N N 15 115.078 0.042 . 1 . . . A 51 SER N . 17962 1 437 . 1 1 52 52 HIS HA H 1 4.626 0.000 . 1 . . . A 52 HIS HA . 17962 1 438 . 1 1 52 52 HIS HB2 H 1 3.155 0.000 . 2 . . . A 52 HIS HB2 . 17962 1 439 . 1 1 52 52 HIS HB3 H 1 3.039 0.000 . 2 . . . A 52 HIS HB3 . 17962 1 440 . 1 1 52 52 HIS CA C 13 55.875 0.000 . 1 . . . A 52 HIS CA . 17962 1 441 . 1 1 52 52 HIS CB C 13 30.030 0.000 . 1 . . . A 52 HIS CB . 17962 1 442 . 1 1 53 53 ASP H H 1 8.293 0.001 . 1 . . . A 53 ASP H . 17962 1 443 . 1 1 53 53 ASP HA H 1 4.641 0.000 . 1 . . . A 53 ASP HA . 17962 1 444 . 1 1 53 53 ASP HB2 H 1 2.702 0.000 . 2 . . . A 53 ASP HB2 . 17962 1 445 . 1 1 53 53 ASP HB3 H 1 2.609 0.000 . 2 . . . A 53 ASP HB3 . 17962 1 446 . 1 1 53 53 ASP C C 13 176.493 0.000 . 1 . . . A 53 ASP C . 17962 1 447 . 1 1 53 53 ASP CA C 13 53.845 0.000 . 1 . . . A 53 ASP CA . 17962 1 448 . 1 1 53 53 ASP CB C 13 40.783 0.000 . 1 . . . A 53 ASP CB . 17962 1 449 . 1 1 53 53 ASP N N 15 121.079 0.024 . 1 . . . A 53 ASP N . 17962 1 450 . 1 1 54 54 THR H H 1 8.133 0.003 . 1 . . . A 54 THR H . 17962 1 451 . 1 1 54 54 THR C C 13 174.766 0.000 . 1 . . . A 54 THR C . 17962 1 452 . 1 1 54 54 THR CA C 13 61.912 0.000 . 1 . . . A 54 THR CA . 17962 1 453 . 1 1 54 54 THR CB C 13 69.156 0.000 . 1 . . . A 54 THR CB . 17962 1 454 . 1 1 54 54 THR N N 15 114.526 0.014 . 1 . . . A 54 THR N . 17962 1 455 . 1 1 55 55 LYS HA H 1 4.422 0.000 . 1 . . . A 55 LYS HA . 17962 1 456 . 1 1 55 55 LYS HB3 H 1 2.062 0.000 . 2 . . . A 55 LYS HB3 . 17962 1 457 . 1 1 55 55 LYS C C 13 176.280 0.000 . 1 . . . A 55 LYS C . 17962 1 458 . 1 1 55 55 LYS CA C 13 56.001 0.000 . 1 . . . A 55 LYS CA . 17962 1 459 . 1 1 55 55 LYS CB C 13 29.775 0.000 . 1 . . . A 55 LYS CB . 17962 1 460 . 1 1 56 56 GLN H H 1 8.432 0.002 . 1 . . . A 56 GLN H . 17962 1 461 . 1 1 56 56 GLN HA H 1 4.311 0.000 . 1 . . . A 56 GLN HA . 17962 1 462 . 1 1 56 56 GLN HB2 H 1 2.085 0.000 . 2 . . . A 56 GLN HB2 . 17962 1 463 . 1 1 56 56 GLN HB3 H 1 1.963 0.000 . 2 . . . A 56 GLN HB3 . 17962 1 464 . 1 1 56 56 GLN C C 13 175.472 0.000 . 1 . . . A 56 GLN C . 17962 1 465 . 1 1 56 56 GLN CA C 13 55.328 0.000 . 1 . . . A 56 GLN CA . 17962 1 466 . 1 1 56 56 GLN CB C 13 29.172 0.000 . 1 . . . A 56 GLN CB . 17962 1 467 . 1 1 56 56 GLN N N 15 121.581 0.098 . 1 . . . A 56 GLN N . 17962 1 468 . 1 1 57 57 GLN H H 1 8.354 0.001 . 1 . . . A 57 GLN H . 17962 1 469 . 1 1 57 57 GLN HA H 1 4.413 0.000 . 1 . . . A 57 GLN HA . 17962 1 470 . 1 1 57 57 GLN HB2 H 1 2.075 0.000 . 2 . . . A 57 GLN HB2 . 17962 1 471 . 1 1 57 57 GLN HB3 H 1 1.938 0.000 . 2 . . . A 57 GLN HB3 . 17962 1 472 . 1 1 57 57 GLN HG3 H 1 2.311 0.000 . 2 . . . A 57 GLN HG3 . 17962 1 473 . 1 1 57 57 GLN HE21 H 1 6.845 0.000 . 2 . . . A 57 GLN HE21 . 17962 1 474 . 1 1 57 57 GLN HE22 H 1 7.600 0.000 . 2 . . . A 57 GLN HE22 . 17962 1 475 . 1 1 57 57 GLN C C 13 175.508 0.000 . 1 . . . A 57 GLN C . 17962 1 476 . 1 1 57 57 GLN CA C 13 55.324 0.032 . 1 . . . A 57 GLN CA . 17962 1 477 . 1 1 57 57 GLN CB C 13 29.509 0.057 . 1 . . . A 57 GLN CB . 17962 1 478 . 1 1 57 57 GLN CG C 13 33.936 0.000 . 1 . . . A 57 GLN CG . 17962 1 479 . 1 1 57 57 GLN N N 15 121.543 0.021 . 1 . . . A 57 GLN N . 17962 1 480 . 1 1 57 57 GLN NE2 N 15 112.140 0.003 . 1 . . . A 57 GLN NE2 . 17962 1 481 . 1 1 58 58 VAL H H 1 8.499 0.001 . 1 . . . A 58 VAL H . 17962 1 482 . 1 1 58 58 VAL HA H 1 4.107 0.002 . 1 . . . A 58 VAL HA . 17962 1 483 . 1 1 58 58 VAL HB H 1 1.801 0.000 . 1 . . . A 58 VAL HB . 17962 1 484 . 1 1 58 58 VAL HG21 H 1 0.847 0.000 . 1 . . . A 58 VAL HG21 . 17962 1 485 . 1 1 58 58 VAL HG22 H 1 0.847 0.000 . 1 . . . A 58 VAL HG22 . 17962 1 486 . 1 1 58 58 VAL HG23 H 1 0.847 0.000 . 1 . . . A 58 VAL HG23 . 17962 1 487 . 1 1 58 58 VAL C C 13 174.813 0.000 . 1 . . . A 58 VAL C . 17962 1 488 . 1 1 58 58 VAL CA C 13 62.208 0.060 . 1 . . . A 58 VAL CA . 17962 1 489 . 1 1 58 58 VAL CB C 13 32.232 0.068 . 1 . . . A 58 VAL CB . 17962 1 490 . 1 1 58 58 VAL CG2 C 13 20.652 0.018 . 2 . . . A 58 VAL CG2 . 17962 1 491 . 1 1 58 58 VAL N N 15 123.308 0.031 . 1 . . . A 58 VAL N . 17962 1 492 . 1 1 59 59 CYS H H 1 8.317 0.001 . 1 . . . A 59 CYS H . 17962 1 493 . 1 1 59 59 CYS HA H 1 5.318 0.000 . 1 . . . A 59 CYS HA . 17962 1 494 . 1 1 59 59 CYS HB2 H 1 2.833 0.000 . 2 . . . A 59 CYS HB2 . 17962 1 495 . 1 1 59 59 CYS HB3 H 1 2.874 0.014 . 2 . . . A 59 CYS HB3 . 17962 1 496 . 1 1 59 59 CYS C C 13 173.576 0.000 . 1 . . . A 59 CYS C . 17962 1 497 . 1 1 59 59 CYS CA C 13 56.745 0.000 . 1 . . . A 59 CYS CA . 17962 1 498 . 1 1 59 59 CYS CB C 13 28.807 0.023 . 1 . . . A 59 CYS CB . 17962 1 499 . 1 1 59 59 CYS N N 15 122.905 0.023 . 1 . . . A 59 CYS N . 17962 1 500 . 1 1 60 60 LEU H H 1 9.033 0.003 . 1 . . . A 60 LEU H . 17962 1 501 . 1 1 60 60 LEU HA H 1 4.576 0.000 . 1 . . . A 60 LEU HA . 17962 1 502 . 1 1 60 60 LEU HB2 H 1 1.592 0.003 . 2 . . . A 60 LEU HB2 . 17962 1 503 . 1 1 60 60 LEU HB3 H 1 1.218 0.007 . 2 . . . A 60 LEU HB3 . 17962 1 504 . 1 1 60 60 LEU HG H 1 1.577 0.000 . 1 . . . A 60 LEU HG . 17962 1 505 . 1 1 60 60 LEU HD11 H 1 0.702 0.000 . 1 . . . A 60 LEU HD11 . 17962 1 506 . 1 1 60 60 LEU HD12 H 1 0.702 0.000 . 1 . . . A 60 LEU HD12 . 17962 1 507 . 1 1 60 60 LEU HD13 H 1 0.702 0.000 . 1 . . . A 60 LEU HD13 . 17962 1 508 . 1 1 60 60 LEU HD21 H 1 0.741 0.000 . 1 . . . A 60 LEU HD21 . 17962 1 509 . 1 1 60 60 LEU HD22 H 1 0.741 0.000 . 1 . . . A 60 LEU HD22 . 17962 1 510 . 1 1 60 60 LEU HD23 H 1 0.741 0.000 . 1 . . . A 60 LEU HD23 . 17962 1 511 . 1 1 60 60 LEU C C 13 175.187 0.000 . 1 . . . A 60 LEU C . 17962 1 512 . 1 1 60 60 LEU CA C 13 53.462 0.004 . 1 . . . A 60 LEU CA . 17962 1 513 . 1 1 60 60 LEU CB C 13 45.053 0.023 . 1 . . . A 60 LEU CB . 17962 1 514 . 1 1 60 60 LEU CG C 13 26.849 0.021 . 1 . . . A 60 LEU CG . 17962 1 515 . 1 1 60 60 LEU CD1 C 13 25.602 0.000 . 2 . . . A 60 LEU CD1 . 17962 1 516 . 1 1 60 60 LEU CD2 C 13 22.633 0.057 . 2 . . . A 60 LEU CD2 . 17962 1 517 . 1 1 60 60 LEU N N 15 127.313 0.014 . 1 . . . A 60 LEU N . 17962 1 518 . 1 1 61 61 SER H H 1 7.865 0.002 . 1 . . . A 61 SER H . 17962 1 519 . 1 1 61 61 SER HA H 1 5.508 0.001 . 1 . . . A 61 SER HA . 17962 1 520 . 1 1 61 61 SER HB2 H 1 3.521 0.002 . 2 . . . A 61 SER HB2 . 17962 1 521 . 1 1 61 61 SER HB3 H 1 3.690 0.001 . 2 . . . A 61 SER HB3 . 17962 1 522 . 1 1 61 61 SER C C 13 172.825 0.000 . 1 . . . A 61 SER C . 17962 1 523 . 1 1 61 61 SER CA C 13 56.874 0.022 . 1 . . . A 61 SER CA . 17962 1 524 . 1 1 61 61 SER CB C 13 65.131 0.019 . 1 . . . A 61 SER CB . 17962 1 525 . 1 1 61 61 SER N N 15 114.502 0.014 . 1 . . . A 61 SER N . 17962 1 526 . 1 1 62 62 PHE H H 1 9.379 0.002 . 1 . . . A 62 PHE H . 17962 1 527 . 1 1 62 62 PHE HA H 1 4.890 0.000 . 1 . . . A 62 PHE HA . 17962 1 528 . 1 1 62 62 PHE HB2 H 1 2.546 0.000 . 2 . . . A 62 PHE HB2 . 17962 1 529 . 1 1 62 62 PHE HB3 H 1 3.198 0.000 . 2 . . . A 62 PHE HB3 . 17962 1 530 . 1 1 62 62 PHE HD1 H 1 7.009 0.000 . 3 . . . A 62 PHE HD1 . 17962 1 531 . 1 1 62 62 PHE HD2 H 1 7.009 0.000 . 3 . . . A 62 PHE HD2 . 17962 1 532 . 1 1 62 62 PHE HE1 H 1 6.568 0.000 . 3 . . . A 62 PHE HE1 . 17962 1 533 . 1 1 62 62 PHE HE2 H 1 6.568 0.000 . 3 . . . A 62 PHE HE2 . 17962 1 534 . 1 1 62 62 PHE HZ H 1 6.226 0.000 . 1 . . . A 62 PHE HZ . 17962 1 535 . 1 1 62 62 PHE C C 13 175.747 0.000 . 1 . . . A 62 PHE C . 17962 1 536 . 1 1 62 62 PHE CA C 13 56.260 0.000 . 1 . . . A 62 PHE CA . 17962 1 537 . 1 1 62 62 PHE CB C 13 44.909 0.027 . 1 . . . A 62 PHE CB . 17962 1 538 . 1 1 62 62 PHE CZ C 13 129.141 0.000 . 1 . . . A 62 PHE CZ . 17962 1 539 . 1 1 62 62 PHE N N 15 118.954 0.027 . 1 . . . A 62 PHE N . 17962 1 540 . 1 1 63 63 THR H H 1 9.169 0.005 . 1 . . . A 63 THR H . 17962 1 541 . 1 1 63 63 THR HA H 1 4.472 0.001 . 1 . . . A 63 THR HA . 17962 1 542 . 1 1 63 63 THR HB H 1 4.326 0.000 . 1 . . . A 63 THR HB . 17962 1 543 . 1 1 63 63 THR HG21 H 1 1.444 0.002 . 1 . . . A 63 THR HG21 . 17962 1 544 . 1 1 63 63 THR HG22 H 1 1.444 0.002 . 1 . . . A 63 THR HG22 . 17962 1 545 . 1 1 63 63 THR HG23 H 1 1.444 0.002 . 1 . . . A 63 THR HG23 . 17962 1 546 . 1 1 63 63 THR C C 13 175.599 0.000 . 1 . . . A 63 THR C . 17962 1 547 . 1 1 63 63 THR CA C 13 64.558 0.095 . 1 . . . A 63 THR CA . 17962 1 548 . 1 1 63 63 THR CB C 13 68.742 0.073 . 1 . . . A 63 THR CB . 17962 1 549 . 1 1 63 63 THR CG2 C 13 22.919 0.041 . 1 . . . A 63 THR CG2 . 17962 1 550 . 1 1 63 63 THR N N 15 112.743 0.053 . 1 . . . A 63 THR N . 17962 1 551 . 1 1 64 64 THR H H 1 7.021 0.002 . 1 . . . A 64 THR H . 17962 1 552 . 1 1 64 64 THR HA H 1 4.616 0.000 . 1 . . . A 64 THR HA . 17962 1 553 . 1 1 64 64 THR HB H 1 4.524 0.000 . 1 . . . A 64 THR HB . 17962 1 554 . 1 1 64 64 THR HG21 H 1 1.254 0.000 . 1 . . . A 64 THR HG21 . 17962 1 555 . 1 1 64 64 THR HG22 H 1 1.254 0.000 . 1 . . . A 64 THR HG22 . 17962 1 556 . 1 1 64 64 THR HG23 H 1 1.254 0.000 . 1 . . . A 64 THR HG23 . 17962 1 557 . 1 1 64 64 THR C C 13 172.851 0.000 . 1 . . . A 64 THR C . 17962 1 558 . 1 1 64 64 THR CA C 13 58.326 0.055 . 1 . . . A 64 THR CA . 17962 1 559 . 1 1 64 64 THR CB C 13 72.517 0.016 . 1 . . . A 64 THR CB . 17962 1 560 . 1 1 64 64 THR CG2 C 13 21.259 0.000 . 1 . . . A 64 THR CG2 . 17962 1 561 . 1 1 64 64 THR N N 15 106.164 0.016 . 1 . . . A 64 THR N . 17962 1 562 . 1 1 65 65 ARG H H 1 7.466 0.003 . 1 . . . A 65 ARG H . 17962 1 563 . 1 1 65 65 ARG HA H 1 2.454 0.003 . 1 . . . A 65 ARG HA . 17962 1 564 . 1 1 65 65 ARG HB2 H 1 -0.461 0.000 . 2 . . . A 65 ARG HB2 . 17962 1 565 . 1 1 65 65 ARG HB3 H 1 0.761 0.000 . 2 . . . A 65 ARG HB3 . 17962 1 566 . 1 1 65 65 ARG HG2 H 1 0.592 0.000 . 2 . . . A 65 ARG HG2 . 17962 1 567 . 1 1 65 65 ARG HG3 H 1 0.944 0.000 . 2 . . . A 65 ARG HG3 . 17962 1 568 . 1 1 65 65 ARG HD2 H 1 2.800 0.000 . 2 . . . A 65 ARG HD2 . 17962 1 569 . 1 1 65 65 ARG HD3 H 1 3.013 0.001 . 2 . . . A 65 ARG HD3 . 17962 1 570 . 1 1 65 65 ARG C C 13 177.239 0.000 . 1 . . . A 65 ARG C . 17962 1 571 . 1 1 65 65 ARG CA C 13 58.218 0.071 . 1 . . . A 65 ARG CA . 17962 1 572 . 1 1 65 65 ARG CB C 13 28.649 0.066 . 1 . . . A 65 ARG CB . 17962 1 573 . 1 1 65 65 ARG CG C 13 25.766 0.000 . 1 . . . A 65 ARG CG . 17962 1 574 . 1 1 65 65 ARG CD C 13 42.775 0.016 . 1 . . . A 65 ARG CD . 17962 1 575 . 1 1 65 65 ARG N N 15 121.703 0.009 . 1 . . . A 65 ARG N . 17962 1 576 . 1 1 66 66 GLU H H 1 8.315 0.001 . 1 . . . A 66 GLU H . 17962 1 577 . 1 1 66 66 GLU HA H 1 3.577 0.001 . 1 . . . A 66 GLU HA . 17962 1 578 . 1 1 66 66 GLU HB2 H 1 1.949 0.000 . 2 . . . A 66 GLU HB2 . 17962 1 579 . 1 1 66 66 GLU HB3 H 1 1.783 0.000 . 2 . . . A 66 GLU HB3 . 17962 1 580 . 1 1 66 66 GLU C C 13 179.667 0.000 . 1 . . . A 66 GLU C . 17962 1 581 . 1 1 66 66 GLU CA C 13 60.321 0.026 . 1 . . . A 66 GLU CA . 17962 1 582 . 1 1 66 66 GLU CB C 13 28.071 0.038 . 1 . . . A 66 GLU CB . 17962 1 583 . 1 1 66 66 GLU N N 15 116.080 0.047 . 1 . . . A 66 GLU N . 17962 1 584 . 1 1 67 67 LEU H H 1 7.803 0.001 . 1 . . . A 67 LEU H . 17962 1 585 . 1 1 67 67 LEU HA H 1 4.023 0.000 . 1 . . . A 67 LEU HA . 17962 1 586 . 1 1 67 67 LEU HB2 H 1 1.799 0.015 . 2 . . . A 67 LEU HB2 . 17962 1 587 . 1 1 67 67 LEU HB3 H 1 1.582 0.000 . 2 . . . A 67 LEU HB3 . 17962 1 588 . 1 1 67 67 LEU HG H 1 1.583 0.000 . 1 . . . A 67 LEU HG . 17962 1 589 . 1 1 67 67 LEU HD11 H 1 1.127 0.001 . 1 . . . A 67 LEU HD11 . 17962 1 590 . 1 1 67 67 LEU HD12 H 1 1.127 0.001 . 1 . . . A 67 LEU HD12 . 17962 1 591 . 1 1 67 67 LEU HD13 H 1 1.127 0.001 . 1 . . . A 67 LEU HD13 . 17962 1 592 . 1 1 67 67 LEU HD21 H 1 0.937 0.001 . 1 . . . A 67 LEU HD21 . 17962 1 593 . 1 1 67 67 LEU HD22 H 1 0.937 0.001 . 1 . . . A 67 LEU HD22 . 17962 1 594 . 1 1 67 67 LEU HD23 H 1 0.937 0.001 . 1 . . . A 67 LEU HD23 . 17962 1 595 . 1 1 67 67 LEU C C 13 178.632 0.000 . 1 . . . A 67 LEU C . 17962 1 596 . 1 1 67 67 LEU CA C 13 57.151 0.084 . 1 . . . A 67 LEU CA . 17962 1 597 . 1 1 67 67 LEU CB C 13 41.469 0.031 . 1 . . . A 67 LEU CB . 17962 1 598 . 1 1 67 67 LEU CG C 13 27.092 0.000 . 1 . . . A 67 LEU CG . 17962 1 599 . 1 1 67 67 LEU CD1 C 13 25.498 0.095 . 2 . . . A 67 LEU CD1 . 17962 1 600 . 1 1 67 67 LEU CD2 C 13 22.216 0.021 . 2 . . . A 67 LEU CD2 . 17962 1 601 . 1 1 67 67 LEU N N 15 121.239 0.024 . 1 . . . A 67 LEU N . 17962 1 602 . 1 1 68 68 ALA H H 1 6.871 0.003 . 1 . . . A 68 ALA H . 17962 1 603 . 1 1 68 68 ALA HA H 1 2.045 0.006 . 1 . . . A 68 ALA HA . 17962 1 604 . 1 1 68 68 ALA HB1 H 1 0.927 0.005 . 1 . . . A 68 ALA HB1 . 17962 1 605 . 1 1 68 68 ALA HB2 H 1 0.927 0.005 . 1 . . . A 68 ALA HB2 . 17962 1 606 . 1 1 68 68 ALA HB3 H 1 0.927 0.005 . 1 . . . A 68 ALA HB3 . 17962 1 607 . 1 1 68 68 ALA C C 13 178.160 0.000 . 1 . . . A 68 ALA C . 17962 1 608 . 1 1 68 68 ALA CA C 13 53.693 0.002 . 1 . . . A 68 ALA CA . 17962 1 609 . 1 1 68 68 ALA CB C 13 17.938 0.001 . 1 . . . A 68 ALA CB . 17962 1 610 . 1 1 68 68 ALA N N 15 124.422 0.013 . 1 . . . A 68 ALA N . 17962 1 611 . 1 1 69 69 ILE H H 1 7.886 0.001 . 1 . . . A 69 ILE H . 17962 1 612 . 1 1 69 69 ILE HA H 1 2.642 0.000 . 1 . . . A 69 ILE HA . 17962 1 613 . 1 1 69 69 ILE HB H 1 1.371 0.002 . 1 . . . A 69 ILE HB . 17962 1 614 . 1 1 69 69 ILE HG12 H 1 1.356 0.005 . 2 . . . A 69 ILE HG12 . 17962 1 615 . 1 1 69 69 ILE HG13 H 1 0.198 0.007 . 2 . . . A 69 ILE HG13 . 17962 1 616 . 1 1 69 69 ILE HG21 H 1 0.577 0.002 . 1 . . . A 69 ILE HG21 . 17962 1 617 . 1 1 69 69 ILE HG22 H 1 0.577 0.002 . 1 . . . A 69 ILE HG22 . 17962 1 618 . 1 1 69 69 ILE HG23 H 1 0.577 0.002 . 1 . . . A 69 ILE HG23 . 17962 1 619 . 1 1 69 69 ILE HD11 H 1 0.643 0.000 . 1 . . . A 69 ILE HD11 . 17962 1 620 . 1 1 69 69 ILE HD12 H 1 0.643 0.000 . 1 . . . A 69 ILE HD12 . 17962 1 621 . 1 1 69 69 ILE HD13 H 1 0.643 0.000 . 1 . . . A 69 ILE HD13 . 17962 1 622 . 1 1 69 69 ILE C C 13 176.897 0.000 . 1 . . . A 69 ILE C . 17962 1 623 . 1 1 69 69 ILE CA C 13 64.900 0.063 . 1 . . . A 69 ILE CA . 17962 1 624 . 1 1 69 69 ILE CB C 13 37.764 0.039 . 1 . . . A 69 ILE CB . 17962 1 625 . 1 1 69 69 ILE CG1 C 13 28.810 0.007 . 1 . . . A 69 ILE CG1 . 17962 1 626 . 1 1 69 69 ILE CG2 C 13 15.591 0.008 . 1 . . . A 69 ILE CG2 . 17962 1 627 . 1 1 69 69 ILE CD1 C 13 13.927 0.023 . 1 . . . A 69 ILE CD1 . 17962 1 628 . 1 1 69 69 ILE N N 15 117.578 0.021 . 1 . . . A 69 ILE N . 17962 1 629 . 1 1 70 70 ALA H H 1 7.895 0.002 . 1 . . . A 70 ALA H . 17962 1 630 . 1 1 70 70 ALA HA H 1 3.918 0.004 . 1 . . . A 70 ALA HA . 17962 1 631 . 1 1 70 70 ALA HB1 H 1 1.393 0.003 . 1 . . . A 70 ALA HB1 . 17962 1 632 . 1 1 70 70 ALA HB2 H 1 1.393 0.003 . 1 . . . A 70 ALA HB2 . 17962 1 633 . 1 1 70 70 ALA HB3 H 1 1.393 0.003 . 1 . . . A 70 ALA HB3 . 17962 1 634 . 1 1 70 70 ALA C C 13 180.873 0.000 . 1 . . . A 70 ALA C . 17962 1 635 . 1 1 70 70 ALA CA C 13 54.553 0.057 . 1 . . . A 70 ALA CA . 17962 1 636 . 1 1 70 70 ALA CB C 13 17.245 0.035 . 1 . . . A 70 ALA CB . 17962 1 637 . 1 1 70 70 ALA N N 15 119.629 0.017 . 1 . . . A 70 ALA N . 17962 1 638 . 1 1 71 71 TYR H H 1 7.536 0.003 . 1 . . . A 71 TYR H . 17962 1 639 . 1 1 71 71 TYR HA H 1 4.147 0.003 . 1 . . . A 71 TYR HA . 17962 1 640 . 1 1 71 71 TYR HB2 H 1 2.977 0.000 . 2 . . . A 71 TYR HB2 . 17962 1 641 . 1 1 71 71 TYR HB3 H 1 2.876 0.000 . 2 . . . A 71 TYR HB3 . 17962 1 642 . 1 1 71 71 TYR HD1 H 1 7.101 0.000 . 3 . . . A 71 TYR HD1 . 17962 1 643 . 1 1 71 71 TYR HD2 H 1 7.101 0.000 . 3 . . . A 71 TYR HD2 . 17962 1 644 . 1 1 71 71 TYR C C 13 178.430 0.000 . 1 . . . A 71 TYR C . 17962 1 645 . 1 1 71 71 TYR CA C 13 61.656 0.081 . 1 . . . A 71 TYR CA . 17962 1 646 . 1 1 71 71 TYR CB C 13 38.335 0.026 . 1 . . . A 71 TYR CB . 17962 1 647 . 1 1 71 71 TYR N N 15 119.899 0.030 . 1 . . . A 71 TYR N . 17962 1 648 . 1 1 72 72 ALA H H 1 7.964 0.006 . 1 . . . A 72 ALA H . 17962 1 649 . 1 1 72 72 ALA HA H 1 3.930 0.001 . 1 . . . A 72 ALA HA . 17962 1 650 . 1 1 72 72 ALA HB1 H 1 1.337 0.002 . 1 . . . A 72 ALA HB1 . 17962 1 651 . 1 1 72 72 ALA HB2 H 1 1.337 0.002 . 1 . . . A 72 ALA HB2 . 17962 1 652 . 1 1 72 72 ALA HB3 H 1 1.337 0.002 . 1 . . . A 72 ALA HB3 . 17962 1 653 . 1 1 72 72 ALA C C 13 179.498 0.000 . 1 . . . A 72 ALA C . 17962 1 654 . 1 1 72 72 ALA CA C 13 55.568 0.027 . 1 . . . A 72 ALA CA . 17962 1 655 . 1 1 72 72 ALA CB C 13 16.864 0.049 . 1 . . . A 72 ALA CB . 17962 1 656 . 1 1 72 72 ALA N N 15 124.152 0.037 . 1 . . . A 72 ALA N . 17962 1 657 . 1 1 73 73 VAL H H 1 8.916 0.003 . 1 . . . A 73 VAL H . 17962 1 658 . 1 1 73 73 VAL HA H 1 3.849 0.002 . 1 . . . A 73 VAL HA . 17962 1 659 . 1 1 73 73 VAL HB H 1 2.000 0.003 . 1 . . . A 73 VAL HB . 17962 1 660 . 1 1 73 73 VAL HG11 H 1 1.137 0.002 . 1 . . . A 73 VAL HG11 . 17962 1 661 . 1 1 73 73 VAL HG12 H 1 1.137 0.002 . 1 . . . A 73 VAL HG12 . 17962 1 662 . 1 1 73 73 VAL HG13 H 1 1.137 0.002 . 1 . . . A 73 VAL HG13 . 17962 1 663 . 1 1 73 73 VAL HG21 H 1 0.952 0.000 . 1 . . . A 73 VAL HG21 . 17962 1 664 . 1 1 73 73 VAL HG22 H 1 0.952 0.000 . 1 . . . A 73 VAL HG22 . 17962 1 665 . 1 1 73 73 VAL HG23 H 1 0.952 0.000 . 1 . . . A 73 VAL HG23 . 17962 1 666 . 1 1 73 73 VAL C C 13 180.797 0.000 . 1 . . . A 73 VAL C . 17962 1 667 . 1 1 73 73 VAL CA C 13 65.582 0.003 . 1 . . . A 73 VAL CA . 17962 1 668 . 1 1 73 73 VAL CB C 13 31.754 0.060 . 1 . . . A 73 VAL CB . 17962 1 669 . 1 1 73 73 VAL CG1 C 13 22.684 0.003 . 2 . . . A 73 VAL CG1 . 17962 1 670 . 1 1 73 73 VAL CG2 C 13 20.504 0.000 . 2 . . . A 73 VAL CG2 . 17962 1 671 . 1 1 73 73 VAL N N 15 118.392 0.019 . 1 . . . A 73 VAL N . 17962 1 672 . 1 1 74 74 ALA H H 1 8.059 0.002 . 1 . . . A 74 ALA H . 17962 1 673 . 1 1 74 74 ALA HA H 1 4.031 0.002 . 1 . . . A 74 ALA HA . 17962 1 674 . 1 1 74 74 ALA HB1 H 1 1.261 0.002 . 1 . . . A 74 ALA HB1 . 17962 1 675 . 1 1 74 74 ALA HB2 H 1 1.261 0.002 . 1 . . . A 74 ALA HB2 . 17962 1 676 . 1 1 74 74 ALA HB3 H 1 1.261 0.002 . 1 . . . A 74 ALA HB3 . 17962 1 677 . 1 1 74 74 ALA C C 13 178.649 0.000 . 1 . . . A 74 ALA C . 17962 1 678 . 1 1 74 74 ALA CA C 13 54.031 0.046 . 1 . . . A 74 ALA CA . 17962 1 679 . 1 1 74 74 ALA CB C 13 17.456 0.058 . 1 . . . A 74 ALA CB . 17962 1 680 . 1 1 74 74 ALA N N 15 122.212 0.036 . 1 . . . A 74 ALA N . 17962 1 681 . 1 1 75 75 HIS H H 1 7.537 0.003 . 1 . . . A 75 HIS H . 17962 1 682 . 1 1 75 75 HIS HA H 1 4.427 0.000 . 1 . . . A 75 HIS HA . 17962 1 683 . 1 1 75 75 HIS HB2 H 1 2.474 0.001 . 2 . . . A 75 HIS HB2 . 17962 1 684 . 1 1 75 75 HIS HB3 H 1 3.505 0.005 . 2 . . . A 75 HIS HB3 . 17962 1 685 . 1 1 75 75 HIS CA C 13 56.137 0.042 . 1 . . . A 75 HIS CA . 17962 1 686 . 1 1 75 75 HIS CB C 13 28.117 0.072 . 1 . . . A 75 HIS CB . 17962 1 687 . 1 1 75 75 HIS N N 15 112.761 0.043 . 1 . . . A 75 HIS N . 17962 1 688 . 1 1 76 76 LYS H H 1 7.819 0.001 . 1 . . . A 76 LYS H . 17962 1 689 . 1 1 76 76 LYS HA H 1 3.968 0.000 . 1 . . . A 76 LYS HA . 17962 1 690 . 1 1 76 76 LYS HB2 H 1 2.000 0.000 . 2 . . . A 76 LYS HB2 . 17962 1 691 . 1 1 76 76 LYS HB3 H 1 2.058 0.000 . 2 . . . A 76 LYS HB3 . 17962 1 692 . 1 1 76 76 LYS HE3 H 1 3.015 0.000 . 2 . . . A 76 LYS HE3 . 17962 1 693 . 1 1 76 76 LYS C C 13 175.152 0.000 . 1 . . . A 76 LYS C . 17962 1 694 . 1 1 76 76 LYS CA C 13 56.991 0.089 . 1 . . . A 76 LYS CA . 17962 1 695 . 1 1 76 76 LYS CB C 13 28.275 0.031 . 1 . . . A 76 LYS CB . 17962 1 696 . 1 1 76 76 LYS CE C 13 41.895 0.000 . 1 . . . A 76 LYS CE . 17962 1 697 . 1 1 76 76 LYS N N 15 117.133 0.015 . 1 . . . A 76 LYS N . 17962 1 698 . 1 1 77 77 ILE H H 1 8.543 0.004 . 1 . . . A 77 ILE H . 17962 1 699 . 1 1 77 77 ILE HA H 1 4.168 0.002 . 1 . . . A 77 ILE HA . 17962 1 700 . 1 1 77 77 ILE HB H 1 1.729 0.005 . 1 . . . A 77 ILE HB . 17962 1 701 . 1 1 77 77 ILE HG13 H 1 1.012 0.002 . 2 . . . A 77 ILE HG13 . 17962 1 702 . 1 1 77 77 ILE HG21 H 1 0.810 0.001 . 1 . . . A 77 ILE HG21 . 17962 1 703 . 1 1 77 77 ILE HG22 H 1 0.810 0.001 . 1 . . . A 77 ILE HG22 . 17962 1 704 . 1 1 77 77 ILE HG23 H 1 0.810 0.001 . 1 . . . A 77 ILE HG23 . 17962 1 705 . 1 1 77 77 ILE HD11 H 1 0.905 0.001 . 1 . . . A 77 ILE HD11 . 17962 1 706 . 1 1 77 77 ILE HD12 H 1 0.905 0.001 . 1 . . . A 77 ILE HD12 . 17962 1 707 . 1 1 77 77 ILE HD13 H 1 0.905 0.001 . 1 . . . A 77 ILE HD13 . 17962 1 708 . 1 1 77 77 ILE C C 13 176.100 0.000 . 1 . . . A 77 ILE C . 17962 1 709 . 1 1 77 77 ILE CA C 13 60.217 0.043 . 1 . . . A 77 ILE CA . 17962 1 710 . 1 1 77 77 ILE CB C 13 39.466 0.056 . 1 . . . A 77 ILE CB . 17962 1 711 . 1 1 77 77 ILE CG1 C 13 27.022 0.033 . 1 . . . A 77 ILE CG1 . 17962 1 712 . 1 1 77 77 ILE CG2 C 13 17.543 0.022 . 1 . . . A 77 ILE CG2 . 17962 1 713 . 1 1 77 77 ILE CD1 C 13 14.081 0.008 . 1 . . . A 77 ILE CD1 . 17962 1 714 . 1 1 77 77 ILE N N 15 119.913 0.012 . 1 . . . A 77 ILE N . 17962 1 715 . 1 1 78 78 ASP H H 1 8.740 0.003 . 1 . . . A 78 ASP H . 17962 1 716 . 1 1 78 78 ASP HA H 1 4.703 0.000 . 1 . . . A 78 ASP HA . 17962 1 717 . 1 1 78 78 ASP HB2 H 1 2.676 0.000 . 2 . . . A 78 ASP HB2 . 17962 1 718 . 1 1 78 78 ASP HB3 H 1 2.744 0.000 . 2 . . . A 78 ASP HB3 . 17962 1 719 . 1 1 78 78 ASP C C 13 174.984 0.000 . 1 . . . A 78 ASP C . 17962 1 720 . 1 1 78 78 ASP CA C 13 53.887 0.041 . 1 . . . A 78 ASP CA . 17962 1 721 . 1 1 78 78 ASP CB C 13 40.387 0.072 . 1 . . . A 78 ASP CB . 17962 1 722 . 1 1 78 78 ASP N N 15 128.552 0.019 . 1 . . . A 78 ASP N . 17962 1 723 . 1 1 79 79 TYR H H 1 7.679 0.002 . 1 . . . A 79 TYR H . 17962 1 724 . 1 1 79 79 TYR HA H 1 5.871 0.005 . 1 . . . A 79 TYR HA . 17962 1 725 . 1 1 79 79 TYR HB2 H 1 2.680 0.000 . 2 . . . A 79 TYR HB2 . 17962 1 726 . 1 1 79 79 TYR HB3 H 1 2.500 0.000 . 2 . . . A 79 TYR HB3 . 17962 1 727 . 1 1 79 79 TYR HD1 H 1 6.965 0.000 . 3 . . . A 79 TYR HD1 . 17962 1 728 . 1 1 79 79 TYR HD2 H 1 6.965 0.000 . 3 . . . A 79 TYR HD2 . 17962 1 729 . 1 1 79 79 TYR HE1 H 1 6.713 0.000 . 3 . . . A 79 TYR HE1 . 17962 1 730 . 1 1 79 79 TYR HE2 H 1 6.713 0.000 . 3 . . . A 79 TYR HE2 . 17962 1 731 . 1 1 79 79 TYR C C 13 173.959 0.000 . 1 . . . A 79 TYR C . 17962 1 732 . 1 1 79 79 TYR CA C 13 54.862 0.062 . 1 . . . A 79 TYR CA . 17962 1 733 . 1 1 79 79 TYR CB C 13 41.546 0.014 . 1 . . . A 79 TYR CB . 17962 1 734 . 1 1 79 79 TYR CD1 C 13 133.459 0.000 . 3 . . . A 79 TYR CD1 . 17962 1 735 . 1 1 79 79 TYR CD2 C 13 133.459 0.000 . 3 . . . A 79 TYR CD2 . 17962 1 736 . 1 1 79 79 TYR CE1 C 13 118.033 0.000 . 3 . . . A 79 TYR CE1 . 17962 1 737 . 1 1 79 79 TYR CE2 C 13 118.033 0.000 . 3 . . . A 79 TYR CE2 . 17962 1 738 . 1 1 79 79 TYR N N 15 120.465 0.020 . 1 . . . A 79 TYR N . 17962 1 739 . 1 1 80 80 THR H H 1 8.199 0.002 . 1 . . . A 80 THR H . 17962 1 740 . 1 1 80 80 THR HA H 1 4.482 0.000 . 1 . . . A 80 THR HA . 17962 1 741 . 1 1 80 80 THR HB H 1 3.965 0.002 . 1 . . . A 80 THR HB . 17962 1 742 . 1 1 80 80 THR HG21 H 1 1.206 0.001 . 1 . . . A 80 THR HG21 . 17962 1 743 . 1 1 80 80 THR HG22 H 1 1.206 0.001 . 1 . . . A 80 THR HG22 . 17962 1 744 . 1 1 80 80 THR HG23 H 1 1.206 0.001 . 1 . . . A 80 THR HG23 . 17962 1 745 . 1 1 80 80 THR C C 13 172.840 0.000 . 1 . . . A 80 THR C . 17962 1 746 . 1 1 80 80 THR CA C 13 60.584 0.010 . 1 . . . A 80 THR CA . 17962 1 747 . 1 1 80 80 THR CB C 13 71.249 0.008 . 1 . . . A 80 THR CB . 17962 1 748 . 1 1 80 80 THR CG2 C 13 20.492 0.068 . 1 . . . A 80 THR CG2 . 17962 1 749 . 1 1 80 80 THR N N 15 115.291 0.027 . 1 . . . A 80 THR N . 17962 1 750 . 1 1 81 81 VAL H H 1 8.986 0.003 . 1 . . . A 81 VAL H . 17962 1 751 . 1 1 81 81 VAL HA H 1 5.009 0.000 . 1 . . . A 81 VAL HA . 17962 1 752 . 1 1 81 81 VAL HB H 1 2.168 0.004 . 1 . . . A 81 VAL HB . 17962 1 753 . 1 1 81 81 VAL HG21 H 1 1.062 0.000 . 1 . . . A 81 VAL HG21 . 17962 1 754 . 1 1 81 81 VAL HG22 H 1 1.062 0.000 . 1 . . . A 81 VAL HG22 . 17962 1 755 . 1 1 81 81 VAL HG23 H 1 1.062 0.000 . 1 . . . A 81 VAL HG23 . 17962 1 756 . 1 1 81 81 VAL C C 13 175.957 0.000 . 1 . . . A 81 VAL C . 17962 1 757 . 1 1 81 81 VAL CA C 13 60.911 0.063 . 1 . . . A 81 VAL CA . 17962 1 758 . 1 1 81 81 VAL CB C 13 31.950 0.049 . 1 . . . A 81 VAL CB . 17962 1 759 . 1 1 81 81 VAL CG2 C 13 21.030 0.036 . 2 . . . A 81 VAL CG2 . 17962 1 760 . 1 1 81 81 VAL N N 15 126.554 0.020 . 1 . . . A 81 VAL N . 17962 1 761 . 1 1 82 82 LEU H H 1 9.011 0.003 . 1 . . . A 82 LEU H . 17962 1 762 . 1 1 82 82 LEU HA H 1 4.624 0.000 . 1 . . . A 82 LEU HA . 17962 1 763 . 1 1 82 82 LEU HB2 H 1 1.814 0.001 . 2 . . . A 82 LEU HB2 . 17962 1 764 . 1 1 82 82 LEU HB3 H 1 1.715 0.002 . 2 . . . A 82 LEU HB3 . 17962 1 765 . 1 1 82 82 LEU HG H 1 1.718 0.000 . 1 . . . A 82 LEU HG . 17962 1 766 . 1 1 82 82 LEU HD11 H 1 0.868 0.004 . 1 . . . A 82 LEU HD11 . 17962 1 767 . 1 1 82 82 LEU HD12 H 1 0.868 0.004 . 1 . . . A 82 LEU HD12 . 17962 1 768 . 1 1 82 82 LEU HD13 H 1 0.868 0.004 . 1 . . . A 82 LEU HD13 . 17962 1 769 . 1 1 82 82 LEU HD21 H 1 0.819 0.001 . 1 . . . A 82 LEU HD21 . 17962 1 770 . 1 1 82 82 LEU HD22 H 1 0.819 0.001 . 1 . . . A 82 LEU HD22 . 17962 1 771 . 1 1 82 82 LEU HD23 H 1 0.819 0.001 . 1 . . . A 82 LEU HD23 . 17962 1 772 . 1 1 82 82 LEU C C 13 176.781 0.004 . 1 . . . A 82 LEU C . 17962 1 773 . 1 1 82 82 LEU CA C 13 54.342 0.068 . 1 . . . A 82 LEU CA . 17962 1 774 . 1 1 82 82 LEU CB C 13 41.642 0.046 . 1 . . . A 82 LEU CB . 17962 1 775 . 1 1 82 82 LEU CG C 13 26.959 0.043 . 1 . . . A 82 LEU CG . 17962 1 776 . 1 1 82 82 LEU CD1 C 13 22.990 0.000 . 2 . . . A 82 LEU CD1 . 17962 1 777 . 1 1 82 82 LEU CD2 C 13 24.563 0.000 . 2 . . . A 82 LEU CD2 . 17962 1 778 . 1 1 82 82 LEU N N 15 129.175 0.010 . 1 . . . A 82 LEU N . 17962 1 779 . 1 1 83 83 GLN H H 1 8.645 0.001 . 1 . . . A 83 GLN H . 17962 1 780 . 1 1 83 83 GLN HG3 H 1 2.468 0.000 . 2 . . . A 83 GLN HG3 . 17962 1 781 . 1 1 83 83 GLN HE21 H 1 6.938 0.000 . 2 . . . A 83 GLN HE21 . 17962 1 782 . 1 1 83 83 GLN HE22 H 1 7.689 0.000 . 2 . . . A 83 GLN HE22 . 17962 1 783 . 1 1 83 83 GLN C C 13 175.252 0.012 . 1 . . . A 83 GLN C . 17962 1 784 . 1 1 83 83 GLN CA C 13 55.328 0.000 . 1 . . . A 83 GLN CA . 17962 1 785 . 1 1 83 83 GLN CB C 13 29.565 0.036 . 1 . . . A 83 GLN CB . 17962 1 786 . 1 1 83 83 GLN CG C 13 33.300 0.000 . 1 . . . A 83 GLN CG . 17962 1 787 . 1 1 83 83 GLN N N 15 121.540 0.018 . 1 . . . A 83 GLN N . 17962 1 788 . 1 1 83 83 GLN NE2 N 15 112.443 0.002 . 1 . . . A 83 GLN NE2 . 17962 1 789 . 1 1 84 84 ASP H H 1 8.462 0.002 . 1 . . . A 84 ASP H . 17962 1 790 . 1 1 84 84 ASP HA H 1 4.654 0.000 . 1 . . . A 84 ASP HA . 17962 1 791 . 1 1 84 84 ASP HB2 H 1 2.700 0.010 . 2 . . . A 84 ASP HB2 . 17962 1 792 . 1 1 84 84 ASP HB3 H 1 2.616 0.000 . 2 . . . A 84 ASP HB3 . 17962 1 793 . 1 1 84 84 ASP C C 13 175.338 0.000 . 1 . . . A 84 ASP C . 17962 1 794 . 1 1 84 84 ASP CA C 13 53.699 0.074 . 1 . . . A 84 ASP CA . 17962 1 795 . 1 1 84 84 ASP CB C 13 41.048 0.093 . 1 . . . A 84 ASP CB . 17962 1 796 . 1 1 84 84 ASP N N 15 121.527 0.012 . 1 . . . A 84 ASP N . 17962 1 797 . 1 1 85 85 ASN H H 1 8.524 0.001 . 1 . . . A 85 ASN H . 17962 1 798 . 1 1 85 85 ASN HB3 H 1 2.850 0.000 . 2 . . . A 85 ASN HB3 . 17962 1 799 . 1 1 85 85 ASN HD21 H 1 6.968 0.000 . 2 . . . A 85 ASN HD21 . 17962 1 800 . 1 1 85 85 ASN HD22 H 1 7.645 0.000 . 2 . . . A 85 ASN HD22 . 17962 1 801 . 1 1 85 85 ASN C C 13 173.237 0.000 . 1 . . . A 85 ASN C . 17962 1 802 . 1 1 85 85 ASN CA C 13 50.969 0.000 . 1 . . . A 85 ASN CA . 17962 1 803 . 1 1 85 85 ASN CB C 13 38.470 0.000 . 1 . . . A 85 ASN CB . 17962 1 804 . 1 1 85 85 ASN N N 15 119.986 0.014 . 1 . . . A 85 ASN N . 17962 1 805 . 1 1 85 85 ASN ND2 N 15 113.136 0.000 . 1 . . . A 85 ASN ND2 . 17962 1 806 . 1 1 86 86 PRO HA H 1 4.431 0.000 . 1 . . . A 86 PRO HA . 17962 1 807 . 1 1 86 86 PRO HB2 H 1 2.266 0.000 . 2 . . . A 86 PRO HB2 . 17962 1 808 . 1 1 86 86 PRO HB3 H 1 1.939 0.000 . 2 . . . A 86 PRO HB3 . 17962 1 809 . 1 1 86 86 PRO C C 13 176.812 0.000 . 1 . . . A 86 PRO C . 17962 1 810 . 1 1 86 86 PRO CA C 13 62.960 0.000 . 1 . . . A 86 PRO CA . 17962 1 811 . 1 1 86 86 PRO CB C 13 31.770 0.000 . 1 . . . A 86 PRO CB . 17962 1 812 . 1 1 86 86 PRO CG C 13 26.921 0.000 . 1 . . . A 86 PRO CG . 17962 1 813 . 1 1 86 86 PRO CD C 13 50.379 0.000 . 1 . . . A 86 PRO CD . 17962 1 814 . 1 1 87 87 ARG H H 1 8.400 0.003 . 1 . . . A 87 ARG H . 17962 1 815 . 1 1 87 87 ARG HA H 1 4.353 0.000 . 1 . . . A 87 ARG HA . 17962 1 816 . 1 1 87 87 ARG HB2 H 1 1.863 0.004 . 2 . . . A 87 ARG HB2 . 17962 1 817 . 1 1 87 87 ARG HB3 H 1 1.791 0.001 . 2 . . . A 87 ARG HB3 . 17962 1 818 . 1 1 87 87 ARG HD3 H 1 3.209 0.000 . 2 . . . A 87 ARG HD3 . 17962 1 819 . 1 1 87 87 ARG C C 13 176.438 0.035 . 1 . . . A 87 ARG C . 17962 1 820 . 1 1 87 87 ARG CA C 13 55.726 0.000 . 1 . . . A 87 ARG CA . 17962 1 821 . 1 1 87 87 ARG CB C 13 30.320 0.101 . 1 . . . A 87 ARG CB . 17962 1 822 . 1 1 87 87 ARG CG C 13 26.578 0.000 . 1 . . . A 87 ARG CG . 17962 1 823 . 1 1 87 87 ARG CD C 13 42.910 0.000 . 1 . . . A 87 ARG CD . 17962 1 824 . 1 1 87 87 ARG N N 15 120.580 0.050 . 1 . . . A 87 ARG N . 17962 1 825 . 1 1 88 88 THR H H 1 8.129 0.002 . 1 . . . A 88 THR H . 17962 1 826 . 1 1 88 88 THR HA H 1 4.303 0.000 . 1 . . . A 88 THR HA . 17962 1 827 . 1 1 88 88 THR HB H 1 4.143 0.000 . 1 . . . A 88 THR HB . 17962 1 828 . 1 1 88 88 THR C C 13 174.060 0.003 . 1 . . . A 88 THR C . 17962 1 829 . 1 1 88 88 THR CA C 13 61.697 0.060 . 1 . . . A 88 THR CA . 17962 1 830 . 1 1 88 88 THR CB C 13 69.323 0.021 . 1 . . . A 88 THR CB . 17962 1 831 . 1 1 88 88 THR CG2 C 13 21.174 0.000 . 1 . . . A 88 THR CG2 . 17962 1 832 . 1 1 88 88 THR N N 15 116.150 0.015 . 1 . . . A 88 THR N . 17962 1 833 . 1 1 89 89 ILE H H 1 8.246 0.002 . 1 . . . A 89 ILE H . 17962 1 834 . 1 1 89 89 ILE HA H 1 4.192 0.001 . 1 . . . A 89 ILE HA . 17962 1 835 . 1 1 89 89 ILE HB H 1 1.835 0.002 . 1 . . . A 89 ILE HB . 17962 1 836 . 1 1 89 89 ILE HG12 H 1 1.169 0.006 . 2 . . . A 89 ILE HG12 . 17962 1 837 . 1 1 89 89 ILE HG13 H 1 1.475 0.001 . 2 . . . A 89 ILE HG13 . 17962 1 838 . 1 1 89 89 ILE HG21 H 1 0.853 0.004 . 1 . . . A 89 ILE HG21 . 17962 1 839 . 1 1 89 89 ILE HG22 H 1 0.853 0.004 . 1 . . . A 89 ILE HG22 . 17962 1 840 . 1 1 89 89 ILE HG23 H 1 0.853 0.004 . 1 . . . A 89 ILE HG23 . 17962 1 841 . 1 1 89 89 ILE HD11 H 1 0.846 0.003 . 1 . . . A 89 ILE HD11 . 17962 1 842 . 1 1 89 89 ILE HD12 H 1 0.846 0.003 . 1 . . . A 89 ILE HD12 . 17962 1 843 . 1 1 89 89 ILE HD13 H 1 0.846 0.003 . 1 . . . A 89 ILE HD13 . 17962 1 844 . 1 1 89 89 ILE C C 13 175.801 0.000 . 1 . . . A 89 ILE C . 17962 1 845 . 1 1 89 89 ILE CA C 13 60.376 0.046 . 1 . . . A 89 ILE CA . 17962 1 846 . 1 1 89 89 ILE CB C 13 38.189 0.074 . 1 . . . A 89 ILE CB . 17962 1 847 . 1 1 89 89 ILE CG1 C 13 26.795 0.027 . 1 . . . A 89 ILE CG1 . 17962 1 848 . 1 1 89 89 ILE CG2 C 13 16.921 0.022 . 1 . . . A 89 ILE CG2 . 17962 1 849 . 1 1 89 89 ILE CD1 C 13 12.214 0.012 . 1 . . . A 89 ILE CD1 . 17962 1 850 . 1 1 89 89 ILE N N 15 124.554 0.009 . 1 . . . A 89 ILE N . 17962 1 851 . 1 1 90 90 VAL H H 1 8.317 0.001 . 1 . . . A 90 VAL H . 17962 1 852 . 1 1 90 90 VAL C C 13 174.224 0.000 . 1 . . . A 90 VAL C . 17962 1 853 . 1 1 90 90 VAL CA C 13 59.510 0.000 . 1 . . . A 90 VAL CA . 17962 1 854 . 1 1 90 90 VAL CB C 13 32.053 0.000 . 1 . . . A 90 VAL CB . 17962 1 855 . 1 1 90 90 VAL N N 15 127.102 0.012 . 1 . . . A 90 VAL N . 17962 1 856 . 1 1 91 91 PRO CA C 13 62.557 0.000 . 1 . . . A 91 PRO CA . 17962 1 857 . 1 1 91 91 PRO CB C 13 31.786 0.000 . 1 . . . A 91 PRO CB . 17962 1 858 . 1 1 92 92 LYS HA H 1 4.238 0.000 . 1 . . . A 92 LYS HA . 17962 1 859 . 1 1 92 92 LYS HB3 H 1 1.721 0.000 . 2 . . . A 92 LYS HB3 . 17962 1 860 . 1 1 92 92 LYS C C 13 176.490 0.000 . 1 . . . A 92 LYS C . 17962 1 861 . 1 1 92 92 LYS CA C 13 56.095 0.000 . 1 . . . A 92 LYS CA . 17962 1 862 . 1 1 92 92 LYS CB C 13 32.553 0.000 . 1 . . . A 92 LYS CB . 17962 1 863 . 1 1 93 93 SER H H 1 8.278 0.002 . 1 . . . A 93 SER H . 17962 1 864 . 1 1 93 93 SER HA H 1 4.417 0.000 . 1 . . . A 93 SER HA . 17962 1 865 . 1 1 93 93 SER HB3 H 1 3.808 0.000 . 2 . . . A 93 SER HB3 . 17962 1 866 . 1 1 93 93 SER C C 13 174.143 0.000 . 1 . . . A 93 SER C . 17962 1 867 . 1 1 93 93 SER CA C 13 57.555 0.008 . 1 . . . A 93 SER CA . 17962 1 868 . 1 1 93 93 SER CB C 13 63.552 0.012 . 1 . . . A 93 SER CB . 17962 1 869 . 1 1 93 93 SER N N 15 116.334 0.018 . 1 . . . A 93 SER N . 17962 1 870 . 1 1 94 94 TYR H H 1 8.242 0.002 . 1 . . . A 94 TYR H . 17962 1 871 . 1 1 94 94 TYR HA H 1 4.530 0.000 . 1 . . . A 94 TYR HA . 17962 1 872 . 1 1 94 94 TYR HB2 H 1 3.073 0.000 . 2 . . . A 94 TYR HB2 . 17962 1 873 . 1 1 94 94 TYR HB3 H 1 2.946 0.000 . 2 . . . A 94 TYR HB3 . 17962 1 874 . 1 1 94 94 TYR C C 13 175.546 0.000 . 1 . . . A 94 TYR C . 17962 1 875 . 1 1 94 94 TYR CA C 13 57.711 0.005 . 1 . . . A 94 TYR CA . 17962 1 876 . 1 1 94 94 TYR CB C 13 38.359 0.012 . 1 . . . A 94 TYR CB . 17962 1 877 . 1 1 94 94 TYR N N 15 122.315 0.019 . 1 . . . A 94 TYR N . 17962 1 878 . 1 1 95 95 ALA H H 1 8.149 0.002 . 1 . . . A 95 ALA H . 17962 1 879 . 1 1 95 95 ALA HA H 1 4.259 0.002 . 1 . . . A 95 ALA HA . 17962 1 880 . 1 1 95 95 ALA HB1 H 1 1.351 0.008 . 1 . . . A 95 ALA HB1 . 17962 1 881 . 1 1 95 95 ALA HB2 H 1 1.351 0.008 . 1 . . . A 95 ALA HB2 . 17962 1 882 . 1 1 95 95 ALA HB3 H 1 1.351 0.008 . 1 . . . A 95 ALA HB3 . 17962 1 883 . 1 1 95 95 ALA C C 13 177.260 0.000 . 1 . . . A 95 ALA C . 17962 1 884 . 1 1 95 95 ALA CA C 13 52.160 0.038 . 1 . . . A 95 ALA CA . 17962 1 885 . 1 1 95 95 ALA CB C 13 18.892 0.018 . 1 . . . A 95 ALA CB . 17962 1 886 . 1 1 95 95 ALA N N 15 124.490 0.012 . 1 . . . A 95 ALA N . 17962 1 887 . 1 1 96 96 ASP H H 1 8.149 0.001 . 1 . . . A 96 ASP H . 17962 1 888 . 1 1 96 96 ASP HA H 1 4.515 0.000 . 1 . . . A 96 ASP HA . 17962 1 889 . 1 1 96 96 ASP HB3 H 1 2.616 0.000 . 2 . . . A 96 ASP HB3 . 17962 1 890 . 1 1 96 96 ASP C C 13 175.992 0.000 . 1 . . . A 96 ASP C . 17962 1 891 . 1 1 96 96 ASP CA C 13 54.069 0.050 . 1 . . . A 96 ASP CA . 17962 1 892 . 1 1 96 96 ASP CB C 13 40.707 0.012 . 1 . . . A 96 ASP CB . 17962 1 893 . 1 1 96 96 ASP N N 15 119.171 0.006 . 1 . . . A 96 ASP N . 17962 1 894 . 1 1 97 97 ASN H H 1 8.202 0.002 . 1 . . . A 97 ASN H . 17962 1 895 . 1 1 97 97 ASN HA H 1 4.626 0.000 . 1 . . . A 97 ASN HA . 17962 1 896 . 1 1 97 97 ASN HB3 H 1 2.682 0.000 . 2 . . . A 97 ASN HB3 . 17962 1 897 . 1 1 97 97 ASN HD21 H 1 6.855 0.000 . 2 . . . A 97 ASN HD21 . 17962 1 898 . 1 1 97 97 ASN HD22 H 1 7.489 0.000 . 2 . . . A 97 ASN HD22 . 17962 1 899 . 1 1 97 97 ASN C C 13 174.942 0.000 . 1 . . . A 97 ASN C . 17962 1 900 . 1 1 97 97 ASN CA C 13 53.001 0.036 . 1 . . . A 97 ASN CA . 17962 1 901 . 1 1 97 97 ASN CB C 13 38.274 0.014 . 1 . . . A 97 ASN CB . 17962 1 902 . 1 1 97 97 ASN N N 15 118.137 0.017 . 1 . . . A 97 ASN N . 17962 1 903 . 1 1 97 97 ASN ND2 N 15 112.735 0.007 . 1 . . . A 97 ASN ND2 . 17962 1 904 . 1 1 98 98 PHE H H 1 8.176 0.002 . 1 . . . A 98 PHE H . 17962 1 905 . 1 1 98 98 PHE HA H 1 4.652 0.000 . 1 . . . A 98 PHE HA . 17962 1 906 . 1 1 98 98 PHE HB2 H 1 3.177 0.000 . 2 . . . A 98 PHE HB2 . 17962 1 907 . 1 1 98 98 PHE HB3 H 1 3.057 0.000 . 2 . . . A 98 PHE HB3 . 17962 1 908 . 1 1 98 98 PHE C C 13 175.787 0.003 . 1 . . . A 98 PHE C . 17962 1 909 . 1 1 98 98 PHE CA C 13 57.568 0.004 . 1 . . . A 98 PHE CA . 17962 1 910 . 1 1 98 98 PHE CB C 13 38.954 0.053 . 1 . . . A 98 PHE CB . 17962 1 911 . 1 1 98 98 PHE N N 15 120.046 0.107 . 1 . . . A 98 PHE N . 17962 1 912 . 1 1 99 99 THR H H 1 8.056 0.002 . 1 . . . A 99 THR H . 17962 1 913 . 1 1 99 99 THR HA H 1 4.258 0.000 . 1 . . . A 99 THR HA . 17962 1 914 . 1 1 99 99 THR HB H 1 4.106 0.000 . 1 . . . A 99 THR HB . 17962 1 915 . 1 1 99 99 THR C C 13 173.745 0.003 . 1 . . . A 99 THR C . 17962 1 916 . 1 1 99 99 THR CA C 13 61.518 0.000 . 1 . . . A 99 THR CA . 17962 1 917 . 1 1 99 99 THR CB C 13 69.349 0.000 . 1 . . . A 99 THR CB . 17962 1 918 . 1 1 99 99 THR CG2 C 13 21.102 0.000 . 1 . . . A 99 THR CG2 . 17962 1 919 . 1 1 99 99 THR N N 15 116.359 0.013 . 1 . . . A 99 THR N . 17962 1 920 . 1 1 100 100 LYS H H 1 8.241 0.001 . 1 . . . A 100 LYS H . 17962 1 921 . 1 1 100 100 LYS C C 13 174.225 0.000 . 1 . . . A 100 LYS C . 17962 1 922 . 1 1 100 100 LYS CA C 13 53.920 0.000 . 1 . . . A 100 LYS CA . 17962 1 923 . 1 1 100 100 LYS CB C 13 32.043 0.000 . 1 . . . A 100 LYS CB . 17962 1 924 . 1 1 100 100 LYS N N 15 125.514 0.014 . 1 . . . A 100 LYS N . 17962 1 925 . 1 1 101 101 PRO HA H 1 4.414 0.000 . 1 . . . A 101 PRO HA . 17962 1 926 . 1 1 101 101 PRO HB3 H 1 2.319 0.000 . 2 . . . A 101 PRO HB3 . 17962 1 927 . 1 1 101 101 PRO C C 13 176.756 0.000 . 1 . . . A 101 PRO C . 17962 1 928 . 1 1 101 101 PRO CA C 13 62.664 0.000 . 1 . . . A 101 PRO CA . 17962 1 929 . 1 1 101 101 PRO CB C 13 31.779 0.000 . 1 . . . A 101 PRO CB . 17962 1 930 . 1 1 101 101 PRO CG C 13 26.852 0.000 . 1 . . . A 101 PRO CG . 17962 1 931 . 1 1 101 101 PRO CD C 13 50.409 0.000 . 1 . . . A 101 PRO CD . 17962 1 932 . 1 1 102 102 ARG H H 1 8.447 0.001 . 1 . . . A 102 ARG H . 17962 1 933 . 1 1 102 102 ARG HA H 1 4.290 0.000 . 1 . . . A 102 ARG HA . 17962 1 934 . 1 1 102 102 ARG HB3 H 1 1.812 0.000 . 2 . . . A 102 ARG HB3 . 17962 1 935 . 1 1 102 102 ARG C C 13 176.012 0.011 . 1 . . . A 102 ARG C . 17962 1 936 . 1 1 102 102 ARG CA C 13 55.792 0.057 . 1 . . . A 102 ARG CA . 17962 1 937 . 1 1 102 102 ARG CB C 13 30.252 0.048 . 1 . . . A 102 ARG CB . 17962 1 938 . 1 1 102 102 ARG N N 15 121.276 0.052 . 1 . . . A 102 ARG N . 17962 1 939 . 1 1 103 103 ASP H H 1 8.412 0.002 . 1 . . . A 103 ASP H . 17962 1 940 . 1 1 103 103 ASP HA H 1 4.601 0.000 . 1 . . . A 103 ASP HA . 17962 1 941 . 1 1 103 103 ASP HB2 H 1 2.621 0.000 . 2 . . . A 103 ASP HB2 . 17962 1 942 . 1 1 103 103 ASP HB3 H 1 2.734 0.000 . 2 . . . A 103 ASP HB3 . 17962 1 943 . 1 1 103 103 ASP C C 13 175.014 0.000 . 1 . . . A 103 ASP C . 17962 1 944 . 1 1 103 103 ASP CA C 13 54.133 0.050 . 1 . . . A 103 ASP CA . 17962 1 945 . 1 1 103 103 ASP CB C 13 40.559 0.000 . 1 . . . A 103 ASP CB . 17962 1 946 . 1 1 103 103 ASP N N 15 121.360 0.032 . 1 . . . A 103 ASP N . 17962 1 947 . 1 1 104 104 MET H H 1 7.850 0.002 . 1 . . . A 104 MET H . 17962 1 948 . 1 1 104 104 MET C C 13 180.710 0.000 . 1 . . . A 104 MET C . 17962 1 949 . 1 1 104 104 MET CA C 13 56.754 0.000 . 1 . . . A 104 MET CA . 17962 1 950 . 1 1 104 104 MET CB C 13 33.531 0.000 . 1 . . . A 104 MET CB . 17962 1 951 . 1 1 104 104 MET N N 15 125.154 0.014 . 1 . . . A 104 MET N . 17962 1 stop_ save_