data_18951 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18951 _Entry.Title ; NMR solution structure of a MYB-like DNA binding domain of KNL-2 from C. Elegans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-15 _Entry.Accession_date 2013-01-15 _Entry.Last_release_date 2014-03-31 _Entry.Original_release_date 2014-03-31 _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, 10 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 Michael Osborne . J. . 18951 2 Katherine Borden . LB . 18951 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18951 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID KNL2 . 18951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 170 18951 '15N chemical shifts' 47 18951 '1H chemical shifts' 351 18951 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-31 2013-01-15 original author . 18951 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18951 _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 'Centromere epigenome stability is mediated by structural recognition by the Centromere Licensing Complex' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Science _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 Valerie 'De Rop' . . . 18951 1 2 Jonas Dorn . F. . 18951 1 3 Michael Osborne . J. . 18951 1 4 Jacques Boisvert . . . 18951 1 5 Joel Ryan . . . 18951 1 6 Abbas Padeganeh . . . 18951 1 7 Corentin Moevus . . . 18951 1 8 Katherine Borden . LB . 18951 1 9 Amy Maddox . S. . 18951 1 10 Paul Maddox . S. . 18951 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18951 _Assembly.ID 1 _Assembly.Name 'MYB-like DNA binding domain of KNL-2 from C. Elegans' _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 'MYB-like DNA binding domain of KNL-2 from C. Elegans' 1 $KNL2 A . yes native no no . . . 18951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KNL2 _Entity.Sf_category entity _Entity.Sf_framecode KNL2 _Entity.Entry_ID 18951 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KNL2 _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 ; GPLGSVAKKITWRKQDLDRL KRVIALKKPSASDADWTEVL RLLAKEGVVEPEVVRQIAIT RLKWVEPGPLGSVAKKITWR KQDLDRLKRVIALKKPSASD ADWTEVLRLLAKEGVVEPEV VRQIAITRLKWVEP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 (GPLGS) are a cloning artefact' _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'MYB-like domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15216.123 _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 2M3A . "Nmr Solution Structure Of A Myb-like Dna Binding Domain Of Knl-2 From C. Elegans" . . . . . 50.00 67 100.00 100.00 2.35e-35 . . . . 18951 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 . GLY . 18951 1 2 . PRO . 18951 1 3 . LEU . 18951 1 4 . GLY . 18951 1 5 . SER . 18951 1 6 . VAL . 18951 1 7 . ALA . 18951 1 8 . LYS . 18951 1 9 . LYS . 18951 1 10 . ILE . 18951 1 11 . THR . 18951 1 12 . TRP . 18951 1 13 . ARG . 18951 1 14 . LYS . 18951 1 15 . GLN . 18951 1 16 . ASP . 18951 1 17 . LEU . 18951 1 18 . ASP . 18951 1 19 . ARG . 18951 1 20 . LEU . 18951 1 21 . LYS . 18951 1 22 . ARG . 18951 1 23 . VAL . 18951 1 24 . ILE . 18951 1 25 . ALA . 18951 1 26 . LEU . 18951 1 27 . LYS . 18951 1 28 . LYS . 18951 1 29 . PRO . 18951 1 30 . SER . 18951 1 31 . ALA . 18951 1 32 . SER . 18951 1 33 . ASP . 18951 1 34 . ALA . 18951 1 35 . ASP . 18951 1 36 . TRP . 18951 1 37 . THR . 18951 1 38 . GLU . 18951 1 39 . VAL . 18951 1 40 . LEU . 18951 1 41 . ARG . 18951 1 42 . LEU . 18951 1 43 . LEU . 18951 1 44 . ALA . 18951 1 45 . LYS . 18951 1 46 . GLU . 18951 1 47 . GLY . 18951 1 48 . VAL . 18951 1 49 . VAL . 18951 1 50 . GLU . 18951 1 51 . PRO . 18951 1 52 . GLU . 18951 1 53 . VAL . 18951 1 54 . VAL . 18951 1 55 . ARG . 18951 1 56 . GLN . 18951 1 57 . ILE . 18951 1 58 . ALA . 18951 1 59 . ILE . 18951 1 60 . THR . 18951 1 61 . ARG . 18951 1 62 . LEU . 18951 1 63 . LYS . 18951 1 64 . TRP . 18951 1 65 . VAL . 18951 1 66 . GLU . 18951 1 67 . PRO . 18951 1 68 . GLY . 18951 1 69 . PRO . 18951 1 70 . LEU . 18951 1 71 . GLY . 18951 1 72 . SER . 18951 1 73 . VAL . 18951 1 74 . ALA . 18951 1 75 . LYS . 18951 1 76 . LYS . 18951 1 77 . ILE . 18951 1 78 . THR . 18951 1 79 . TRP . 18951 1 80 . ARG . 18951 1 81 . LYS . 18951 1 82 . GLN . 18951 1 83 . ASP . 18951 1 84 . LEU . 18951 1 85 . ASP . 18951 1 86 . ARG . 18951 1 87 . LEU . 18951 1 88 . LYS . 18951 1 89 . ARG . 18951 1 90 . VAL . 18951 1 91 . ILE . 18951 1 92 . ALA . 18951 1 93 . LEU . 18951 1 94 . LYS . 18951 1 95 . LYS . 18951 1 96 . PRO . 18951 1 97 . SER . 18951 1 98 . ALA . 18951 1 99 . SER . 18951 1 100 . ASP . 18951 1 101 . ALA . 18951 1 102 . ASP . 18951 1 103 . TRP . 18951 1 104 . THR . 18951 1 105 . GLU . 18951 1 106 . VAL . 18951 1 107 . LEU . 18951 1 108 . ARG . 18951 1 109 . LEU . 18951 1 110 . LEU . 18951 1 111 . ALA . 18951 1 112 . LYS . 18951 1 113 . GLU . 18951 1 114 . GLY . 18951 1 115 . VAL . 18951 1 116 . VAL . 18951 1 117 . GLU . 18951 1 118 . PRO . 18951 1 119 . GLU . 18951 1 120 . VAL . 18951 1 121 . VAL . 18951 1 122 . ARG . 18951 1 123 . GLN . 18951 1 124 . ILE . 18951 1 125 . ALA . 18951 1 126 . ILE . 18951 1 127 . THR . 18951 1 128 . ARG . 18951 1 129 . LEU . 18951 1 130 . LYS . 18951 1 131 . TRP . 18951 1 132 . VAL . 18951 1 133 . GLU . 18951 1 134 . PRO . 18951 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18951 1 . PRO 2 2 18951 1 . LEU 3 3 18951 1 . GLY 4 4 18951 1 . SER 5 5 18951 1 . VAL 6 6 18951 1 . ALA 7 7 18951 1 . LYS 8 8 18951 1 . LYS 9 9 18951 1 . ILE 10 10 18951 1 . THR 11 11 18951 1 . TRP 12 12 18951 1 . ARG 13 13 18951 1 . LYS 14 14 18951 1 . GLN 15 15 18951 1 . ASP 16 16 18951 1 . LEU 17 17 18951 1 . ASP 18 18 18951 1 . ARG 19 19 18951 1 . LEU 20 20 18951 1 . LYS 21 21 18951 1 . ARG 22 22 18951 1 . VAL 23 23 18951 1 . ILE 24 24 18951 1 . ALA 25 25 18951 1 . LEU 26 26 18951 1 . LYS 27 27 18951 1 . LYS 28 28 18951 1 . PRO 29 29 18951 1 . SER 30 30 18951 1 . ALA 31 31 18951 1 . SER 32 32 18951 1 . ASP 33 33 18951 1 . ALA 34 34 18951 1 . ASP 35 35 18951 1 . TRP 36 36 18951 1 . THR 37 37 18951 1 . GLU 38 38 18951 1 . VAL 39 39 18951 1 . LEU 40 40 18951 1 . ARG 41 41 18951 1 . LEU 42 42 18951 1 . LEU 43 43 18951 1 . ALA 44 44 18951 1 . LYS 45 45 18951 1 . GLU 46 46 18951 1 . GLY 47 47 18951 1 . VAL 48 48 18951 1 . VAL 49 49 18951 1 . GLU 50 50 18951 1 . PRO 51 51 18951 1 . GLU 52 52 18951 1 . VAL 53 53 18951 1 . VAL 54 54 18951 1 . ARG 55 55 18951 1 . GLN 56 56 18951 1 . ILE 57 57 18951 1 . ALA 58 58 18951 1 . ILE 59 59 18951 1 . THR 60 60 18951 1 . ARG 61 61 18951 1 . LEU 62 62 18951 1 . LYS 63 63 18951 1 . TRP 64 64 18951 1 . VAL 65 65 18951 1 . GLU 66 66 18951 1 . PRO 67 67 18951 1 . GLY 68 68 18951 1 . PRO 69 69 18951 1 . LEU 70 70 18951 1 . GLY 71 71 18951 1 . SER 72 72 18951 1 . VAL 73 73 18951 1 . ALA 74 74 18951 1 . LYS 75 75 18951 1 . LYS 76 76 18951 1 . ILE 77 77 18951 1 . THR 78 78 18951 1 . TRP 79 79 18951 1 . ARG 80 80 18951 1 . LYS 81 81 18951 1 . GLN 82 82 18951 1 . ASP 83 83 18951 1 . LEU 84 84 18951 1 . ASP 85 85 18951 1 . ARG 86 86 18951 1 . LEU 87 87 18951 1 . LYS 88 88 18951 1 . ARG 89 89 18951 1 . VAL 90 90 18951 1 . ILE 91 91 18951 1 . ALA 92 92 18951 1 . LEU 93 93 18951 1 . LYS 94 94 18951 1 . LYS 95 95 18951 1 . PRO 96 96 18951 1 . SER 97 97 18951 1 . ALA 98 98 18951 1 . SER 99 99 18951 1 . ASP 100 100 18951 1 . ALA 101 101 18951 1 . ASP 102 102 18951 1 . TRP 103 103 18951 1 . THR 104 104 18951 1 . GLU 105 105 18951 1 . VAL 106 106 18951 1 . LEU 107 107 18951 1 . ARG 108 108 18951 1 . LEU 109 109 18951 1 . LEU 110 110 18951 1 . ALA 111 111 18951 1 . LYS 112 112 18951 1 . GLU 113 113 18951 1 . GLY 114 114 18951 1 . VAL 115 115 18951 1 . VAL 116 116 18951 1 . GLU 117 117 18951 1 . PRO 118 118 18951 1 . GLU 119 119 18951 1 . VAL 120 120 18951 1 . VAL 121 121 18951 1 . ARG 122 122 18951 1 . GLN 123 123 18951 1 . ILE 124 124 18951 1 . ALA 125 125 18951 1 . ILE 126 126 18951 1 . THR 127 127 18951 1 . ARG 128 128 18951 1 . LEU 129 129 18951 1 . LYS 130 130 18951 1 . TRP 131 131 18951 1 . VAL 132 132 18951 1 . GLU 133 133 18951 1 . PRO 134 134 18951 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 18951 _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 $KNL2 . 6239 organism . 'C. elegans' 'Caenorhabditis elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . . . . . . . . . 18951 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 18951 _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 $KNL2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-6P1 . . . . . . 18951 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18951 _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 KNL2 '[U-99% 13C; U-99% 15N]' . . 1 $KNL2 . . 0.2 . . mM . . . . 18951 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18951 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18951 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18951 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18951 1 6 'Magnesium Sulphate' 'natural abundance' . . . . . . 5 . . mM . . . . 18951 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18951 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KNL2 '[U-99% 13C; U-99% 15N]' . . 1 $KNL2 . . 0.2 . . mM . . . . 18951 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18951 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18951 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18951 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18951 2 6 'Magnesium Sulphate' 'natural abundance' . . . . . . 5 . . mM . . . . 18951 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 18951 _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 6.5 . pH 18951 1 pressure 1 . atm 18951 1 temperature 273 . K 18951 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18951 _Software.ID 1 _Software.Name CYANA _Software.Version 3,0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18951 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated structure calculation' 18951 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18951 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18951 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18951 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18951 _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' . . 18951 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18951 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18951 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18951 _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 Varian INOVA . 600 . . . 18951 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 18951 _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 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18951 1 2 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18951 1 3 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18951 1 4 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18951 1 5 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18951 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18951 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18951 _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 . . . . . . . . . 18951 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18951 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18951 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 18951 _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 '3D 1H-13C NOESY aliphatic' . . . 18951 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 GLY HA2 H 1 3.972 0.020 . 1 . . . A 1 GLY HA2 . 18951 1 2 . 1 1 1 1 GLY HA3 H 1 3.972 0.020 . 1 . . . A 1 GLY HA3 . 18951 1 3 . 1 1 1 1 GLY CA C 13 43.380 0.400 . 1 . . . A 1 GLY CA . 18951 1 4 . 1 1 2 2 PRO HA H 1 4.466 0.020 . 1 . . . A 2 PRO HA . 18951 1 5 . 1 1 2 2 PRO HB2 H 1 2.300 0.020 . 2 . . . A 2 PRO HB2 . 18951 1 6 . 1 1 2 2 PRO HB3 H 1 1.936 0.020 . 2 . . . A 2 PRO HB3 . 18951 1 7 . 1 1 2 2 PRO HG2 H 1 2.010 0.020 . 1 . . . A 2 PRO HG2 . 18951 1 8 . 1 1 2 2 PRO HG3 H 1 2.010 0.020 . 1 . . . A 2 PRO HG3 . 18951 1 9 . 1 1 2 2 PRO HD2 H 1 3.573 0.020 . 1 . . . A 2 PRO HD2 . 18951 1 10 . 1 1 2 2 PRO HD3 H 1 3.573 0.020 . 1 . . . A 2 PRO HD3 . 18951 1 11 . 1 1 2 2 PRO CA C 13 37.135 0.400 . 1 . . . A 2 PRO CA . 18951 1 12 . 1 1 2 2 PRO CB C 13 32.410 0.400 . 1 . . . A 2 PRO CB . 18951 1 13 . 1 1 2 2 PRO CG C 13 27.230 0.400 . 1 . . . A 2 PRO CG . 18951 1 14 . 1 1 2 2 PRO CD C 13 49.830 0.400 . 1 . . . A 2 PRO CD . 18951 1 15 . 1 1 3 3 LEU H H 1 8.523 0.020 . 1 . . . A 3 LEU H . 18951 1 16 . 1 1 3 3 LEU HA H 1 4.336 0.020 . 1 . . . A 3 LEU HA . 18951 1 17 . 1 1 3 3 LEU HB2 H 1 1.600 0.020 . 2 . . . A 3 LEU HB2 . 18951 1 18 . 1 1 3 3 LEU HB3 H 1 1.670 0.020 . 2 . . . A 3 LEU HB3 . 18951 1 19 . 1 1 3 3 LEU HG H 1 1.660 0.020 . 1 . . . A 3 LEU HG . 18951 1 20 . 1 1 3 3 LEU HD11 H 1 0.930 0.020 . 2 . . . A 3 LEU HD11 . 18951 1 21 . 1 1 3 3 LEU HD12 H 1 0.930 0.020 . 2 . . . A 3 LEU HD12 . 18951 1 22 . 1 1 3 3 LEU HD13 H 1 0.930 0.020 . 2 . . . A 3 LEU HD13 . 18951 1 23 . 1 1 3 3 LEU HD21 H 1 0.895 0.020 . 2 . . . A 3 LEU HD21 . 18951 1 24 . 1 1 3 3 LEU HD22 H 1 0.895 0.020 . 2 . . . A 3 LEU HD22 . 18951 1 25 . 1 1 3 3 LEU HD23 H 1 0.895 0.020 . 2 . . . A 3 LEU HD23 . 18951 1 26 . 1 1 3 3 LEU CA C 13 29.405 0.400 . 1 . . . A 3 LEU CA . 18951 1 27 . 1 1 3 3 LEU CB C 13 42.450 0.400 . 1 . . . A 3 LEU CB . 18951 1 28 . 1 1 3 3 LEU CG C 13 27.200 0.400 . 1 . . . A 3 LEU CG . 18951 1 29 . 1 1 3 3 LEU CD1 C 13 50.995 0.400 . 1 . . . A 3 LEU CD1 . 18951 1 30 . 1 1 3 3 LEU CD2 C 13 49.795 0.400 . 1 . . . A 3 LEU CD2 . 18951 1 31 . 1 1 3 3 LEU N N 15 123.217 0.400 . 1 . . . A 3 LEU N . 18951 1 32 . 1 1 4 4 GLY H H 1 8.399 0.020 . 1 . . . A 4 GLY H . 18951 1 33 . 1 1 4 4 GLY HA2 H 1 3.960 0.020 . 1 . . . A 4 GLY HA2 . 18951 1 34 . 1 1 4 4 GLY HA3 H 1 3.960 0.020 . 1 . . . A 4 GLY HA3 . 18951 1 35 . 1 1 4 4 GLY CA C 13 45.314 0.400 . 1 . . . A 4 GLY CA . 18951 1 36 . 1 1 4 4 GLY N N 15 110.431 0.400 . 1 . . . A 4 GLY N . 18951 1 37 . 1 1 5 5 SER H H 1 8.169 0.020 . 1 . . . A 5 SER H . 18951 1 38 . 1 1 5 5 SER HA H 1 4.460 0.020 . 1 . . . A 5 SER HA . 18951 1 39 . 1 1 5 5 SER HB2 H 1 3.836 0.020 . 1 . . . A 5 SER HB2 . 18951 1 40 . 1 1 5 5 SER HB3 H 1 3.836 0.020 . 1 . . . A 5 SER HB3 . 18951 1 41 . 1 1 5 5 SER CA C 13 32.148 0.400 . 1 . . . A 5 SER CA . 18951 1 42 . 1 1 5 5 SER CB C 13 38.011 0.400 . 1 . . . A 5 SER CB . 18951 1 43 . 1 1 5 5 SER N N 15 116.309 0.400 . 1 . . . A 5 SER N . 18951 1 44 . 1 1 6 6 VAL H H 1 8.138 0.020 . 1 . . . A 6 VAL H . 18951 1 45 . 1 1 6 6 VAL HA H 1 4.123 0.020 . 1 . . . A 6 VAL HA . 18951 1 46 . 1 1 6 6 VAL HB H 1 2.073 0.020 . 1 . . . A 6 VAL HB . 18951 1 47 . 1 1 6 6 VAL HG11 H 1 0.924 0.020 . 2 . . . A 6 VAL HG11 . 18951 1 48 . 1 1 6 6 VAL HG12 H 1 0.924 0.020 . 2 . . . A 6 VAL HG12 . 18951 1 49 . 1 1 6 6 VAL HG13 H 1 0.924 0.020 . 2 . . . A 6 VAL HG13 . 18951 1 50 . 1 1 6 6 VAL HG21 H 1 0.928 0.020 . 2 . . . A 6 VAL HG21 . 18951 1 51 . 1 1 6 6 VAL HG22 H 1 0.928 0.020 . 2 . . . A 6 VAL HG22 . 18951 1 52 . 1 1 6 6 VAL HG23 H 1 0.928 0.020 . 2 . . . A 6 VAL HG23 . 18951 1 53 . 1 1 6 6 VAL CA C 13 36.145 0.400 . 1 . . . A 6 VAL CA . 18951 1 54 . 1 1 6 6 VAL CB C 13 32.794 0.400 . 1 . . . A 6 VAL CB . 18951 1 55 . 1 1 6 6 VAL CG1 C 13 46.645 0.400 . 1 . . . A 6 VAL CG1 . 18951 1 56 . 1 1 6 6 VAL CG2 C 13 47.345 0.400 . 1 . . . A 6 VAL CG2 . 18951 1 57 . 1 1 6 6 VAL N N 15 122.407 0.400 . 1 . . . A 6 VAL N . 18951 1 58 . 1 1 7 7 ALA H H 1 8.311 0.020 . 1 . . . A 7 ALA H . 18951 1 59 . 1 1 7 7 ALA HA H 1 4.285 0.020 . 1 . . . A 7 ALA HA . 18951 1 60 . 1 1 7 7 ALA HB1 H 1 1.366 0.020 . 1 . . . A 7 ALA HB1 . 18951 1 61 . 1 1 7 7 ALA HB2 H 1 1.366 0.020 . 1 . . . A 7 ALA HB2 . 18951 1 62 . 1 1 7 7 ALA HB3 H 1 1.366 0.020 . 1 . . . A 7 ALA HB3 . 18951 1 63 . 1 1 7 7 ALA CA C 13 26.375 0.400 . 1 . . . A 7 ALA CA . 18951 1 64 . 1 1 7 7 ALA CB C 13 45.395 0.400 . 1 . . . A 7 ALA CB . 18951 1 65 . 1 1 7 7 ALA N N 15 128.473 0.400 . 1 . . . A 7 ALA N . 18951 1 66 . 1 1 8 8 LYS H H 1 8.224 0.020 . 1 . . . A 8 LYS H . 18951 1 67 . 1 1 8 8 LYS HA H 1 4.257 0.020 . 1 . . . A 8 LYS HA . 18951 1 68 . 1 1 8 8 LYS HB2 H 1 1.720 0.020 . 2 . . . A 8 LYS HB2 . 18951 1 69 . 1 1 8 8 LYS HB3 H 1 1.770 0.020 . 2 . . . A 8 LYS HB3 . 18951 1 70 . 1 1 8 8 LYS HG2 H 1 1.417 0.020 . 1 . . . A 8 LYS HG2 . 18951 1 71 . 1 1 8 8 LYS HG3 H 1 1.417 0.020 . 1 . . . A 8 LYS HG3 . 18951 1 72 . 1 1 8 8 LYS HD2 H 1 1.667 0.020 . 1 . . . A 8 LYS HD2 . 18951 1 73 . 1 1 8 8 LYS HD3 H 1 1.667 0.020 . 1 . . . A 8 LYS HD3 . 18951 1 74 . 1 1 8 8 LYS HE2 H 1 2.981 0.020 . 1 . . . A 8 LYS HE2 . 18951 1 75 . 1 1 8 8 LYS HE3 H 1 2.981 0.020 . 1 . . . A 8 LYS HE3 . 18951 1 76 . 1 1 8 8 LYS CA C 13 30.073 0.400 . 1 . . . A 8 LYS CA . 18951 1 77 . 1 1 8 8 LYS CB C 13 33.210 0.400 . 1 . . . A 8 LYS CB . 18951 1 78 . 1 1 8 8 LYS CG C 13 50.965 0.400 . 1 . . . A 8 LYS CG . 18951 1 79 . 1 1 8 8 LYS CD C 13 29.200 0.400 . 1 . . . A 8 LYS CD . 18951 1 80 . 1 1 8 8 LYS CE C 13 42.100 0.400 . 1 . . . A 8 LYS CE . 18951 1 81 . 1 1 8 8 LYS N N 15 121.756 0.400 . 1 . . . A 8 LYS N . 18951 1 82 . 1 1 9 9 LYS H H 1 8.286 0.020 . 1 . . . A 9 LYS H . 18951 1 83 . 1 1 9 9 LYS HA H 1 4.307 0.020 . 1 . . . A 9 LYS HA . 18951 1 84 . 1 1 9 9 LYS HB2 H 1 1.735 0.020 . 1 . . . A 9 LYS HB2 . 18951 1 85 . 1 1 9 9 LYS HB3 H 1 1.735 0.020 . 1 . . . A 9 LYS HB3 . 18951 1 86 . 1 1 9 9 LYS HG2 H 1 1.380 0.020 . 1 . . . A 9 LYS HG2 . 18951 1 87 . 1 1 9 9 LYS HG3 H 1 1.380 0.020 . 1 . . . A 9 LYS HG3 . 18951 1 88 . 1 1 9 9 LYS HD2 H 1 1.660 0.020 . 1 . . . A 9 LYS HD2 . 18951 1 89 . 1 1 9 9 LYS HD3 H 1 1.660 0.020 . 1 . . . A 9 LYS HD3 . 18951 1 90 . 1 1 9 9 LYS HE2 H 1 2.981 0.020 . 1 . . . A 9 LYS HE2 . 18951 1 91 . 1 1 9 9 LYS HE3 H 1 2.981 0.020 . 1 . . . A 9 LYS HE3 . 18951 1 92 . 1 1 9 9 LYS CA C 13 30.071 0.400 . 1 . . . A 9 LYS CA . 18951 1 93 . 1 1 9 9 LYS CB C 13 33.265 0.400 . 1 . . . A 9 LYS CB . 18951 1 94 . 1 1 9 9 LYS CG C 13 50.795 0.400 . 1 . . . A 9 LYS CG . 18951 1 95 . 1 1 9 9 LYS CD C 13 29.200 0.400 . 1 . . . A 9 LYS CD . 18951 1 96 . 1 1 9 9 LYS CE C 13 42.450 0.400 . 1 . . . A 9 LYS CE . 18951 1 97 . 1 1 9 9 LYS N N 15 124.006 0.400 . 1 . . . A 9 LYS N . 18951 1 98 . 1 1 10 10 ILE H H 1 8.348 0.020 . 1 . . . A 10 ILE H . 18951 1 99 . 1 1 10 10 ILE HA H 1 4.108 0.020 . 1 . . . A 10 ILE HA . 18951 1 100 . 1 1 10 10 ILE HB H 1 1.801 0.020 . 1 . . . A 10 ILE HB . 18951 1 101 . 1 1 10 10 ILE HG12 H 1 1.235 0.020 . 2 . . . A 10 ILE HG12 . 18951 1 102 . 1 1 10 10 ILE HG13 H 1 1.365 0.020 . 2 . . . A 10 ILE HG13 . 18951 1 103 . 1 1 10 10 ILE HG21 H 1 0.385 0.020 . 1 . . . A 10 ILE HG21 . 18951 1 104 . 1 1 10 10 ILE HG22 H 1 0.385 0.020 . 1 . . . A 10 ILE HG22 . 18951 1 105 . 1 1 10 10 ILE HG23 H 1 0.385 0.020 . 1 . . . A 10 ILE HG23 . 18951 1 106 . 1 1 10 10 ILE HD11 H 1 0.735 0.020 . 1 . . . A 10 ILE HD11 . 18951 1 107 . 1 1 10 10 ILE HD12 H 1 0.735 0.020 . 1 . . . A 10 ILE HD12 . 18951 1 108 . 1 1 10 10 ILE HD13 H 1 0.735 0.020 . 1 . . . A 10 ILE HD13 . 18951 1 109 . 1 1 10 10 ILE CA C 13 33.853 0.400 . 1 . . . A 10 ILE CA . 18951 1 110 . 1 1 10 10 ILE CB C 13 38.394 0.400 . 1 . . . A 10 ILE CB . 18951 1 111 . 1 1 10 10 ILE CG1 C 13 27.310 0.400 . 1 . . . A 10 ILE CG1 . 18951 1 112 . 1 1 10 10 ILE CG2 C 13 43.495 0.400 . 1 . . . A 10 ILE CG2 . 18951 1 113 . 1 1 10 10 ILE CD1 C 13 38.275 0.400 . 1 . . . A 10 ILE CD1 . 18951 1 114 . 1 1 10 10 ILE N N 15 125.481 0.400 . 1 . . . A 10 ILE N . 18951 1 115 . 1 1 11 11 THR H H 1 8.492 0.020 . 1 . . . A 11 THR H . 18951 1 116 . 1 1 11 11 THR HA H 1 4.479 0.020 . 1 . . . A 11 THR HA . 18951 1 117 . 1 1 11 11 THR HB H 1 3.985 0.020 . 1 . . . A 11 THR HB . 18951 1 118 . 1 1 11 11 THR HG21 H 1 1.124 0.020 . 1 . . . A 11 THR HG21 . 18951 1 119 . 1 1 11 11 THR HG22 H 1 1.124 0.020 . 1 . . . A 11 THR HG22 . 18951 1 120 . 1 1 11 11 THR HG23 H 1 1.124 0.020 . 1 . . . A 11 THR HG23 . 18951 1 121 . 1 1 11 11 THR CA C 13 35.156 0.400 . 1 . . . A 11 THR CA . 18951 1 122 . 1 1 11 11 THR CB C 13 44.249 0.400 . 1 . . . A 11 THR CB . 18951 1 123 . 1 1 11 11 THR CG2 C 13 47.695 0.400 . 1 . . . A 11 THR CG2 . 18951 1 124 . 1 1 11 11 THR N N 15 122.767 0.400 . 1 . . . A 11 THR N . 18951 1 125 . 1 1 12 12 TRP H H 1 9.037 0.020 . 1 . . . A 12 TRP H . 18951 1 126 . 1 1 12 12 TRP HA H 1 4.432 0.020 . 1 . . . A 12 TRP HA . 18951 1 127 . 1 1 12 12 TRP HB2 H 1 2.930 0.020 . 2 . . . A 12 TRP HB2 . 18951 1 128 . 1 1 12 12 TRP HB3 H 1 3.083 0.020 . 2 . . . A 12 TRP HB3 . 18951 1 129 . 1 1 12 12 TRP HD1 H 1 7.240 0.020 . 1 . . . A 12 TRP HD1 . 18951 1 130 . 1 1 12 12 TRP HE1 H 1 10.348 0.020 . 1 . . . A 12 TRP HE1 . 18951 1 131 . 1 1 12 12 TRP HE3 H 1 7.304 0.020 . 1 . . . A 12 TRP HE3 . 18951 1 132 . 1 1 12 12 TRP HZ2 H 1 7.096 0.020 . 1 . . . A 12 TRP HZ2 . 18951 1 133 . 1 1 12 12 TRP HZ3 H 1 6.850 0.020 . 1 . . . A 12 TRP HZ3 . 18951 1 134 . 1 1 12 12 TRP HH2 H 1 6.861 0.020 . 1 . . . A 12 TRP HH2 . 18951 1 135 . 1 1 12 12 TRP CA C 13 30.705 0.400 . 1 . . . A 12 TRP CA . 18951 1 136 . 1 1 12 12 TRP CB C 13 28.330 0.400 . 1 . . . A 12 TRP CB . 18951 1 137 . 1 1 12 12 TRP CD1 C 13 127.630 0.400 . 1 . . . A 12 TRP CD1 . 18951 1 138 . 1 1 12 12 TRP CE3 C 13 119.970 0.400 . 1 . . . A 12 TRP CE3 . 18951 1 139 . 1 1 12 12 TRP CZ2 C 13 114.240 0.400 . 1 . . . A 12 TRP CZ2 . 18951 1 140 . 1 1 12 12 TRP CZ3 C 13 120.200 0.400 . 1 . . . A 12 TRP CZ3 . 18951 1 141 . 1 1 12 12 TRP CH2 C 13 122.750 0.400 . 1 . . . A 12 TRP CH2 . 18951 1 142 . 1 1 12 12 TRP N N 15 127.919 0.400 . 1 . . . A 12 TRP N . 18951 1 143 . 1 1 12 12 TRP NE1 N 15 111.380 0.400 . 1 . . . A 12 TRP NE1 . 18951 1 144 . 1 1 13 13 ARG H H 1 9.039 0.020 . 1 . . . A 13 ARG H . 18951 1 145 . 1 1 13 13 ARG HA H 1 4.634 0.020 . 1 . . . A 13 ARG HA . 18951 1 146 . 1 1 13 13 ARG HB2 H 1 1.680 0.020 . 2 . . . A 13 ARG HB2 . 18951 1 147 . 1 1 13 13 ARG HB3 H 1 2.270 0.020 . 2 . . . A 13 ARG HB3 . 18951 1 148 . 1 1 13 13 ARG HG2 H 1 1.755 0.020 . 2 . . . A 13 ARG HG2 . 18951 1 149 . 1 1 13 13 ARG HG3 H 1 1.680 0.020 . 2 . . . A 13 ARG HG3 . 18951 1 150 . 1 1 13 13 ARG HD2 H 1 3.210 0.020 . 2 . . . A 13 ARG HD2 . 18951 1 151 . 1 1 13 13 ARG HD3 H 1 3.270 0.020 . 2 . . . A 13 ARG HD3 . 18951 1 152 . 1 1 13 13 ARG CA C 13 28.685 0.400 . 1 . . . A 13 ARG CA . 18951 1 153 . 1 1 13 13 ARG CB C 13 32.066 0.400 . 1 . . . A 13 ARG CB . 18951 1 154 . 1 1 13 13 ARG CG C 13 27.400 0.400 . 1 . . . A 13 ARG CG . 18951 1 155 . 1 1 13 13 ARG CD C 13 43.500 0.400 . 1 . . . A 13 ARG CD . 18951 1 156 . 1 1 13 13 ARG N N 15 125.359 0.400 . 1 . . . A 13 ARG N . 18951 1 157 . 1 1 14 14 LYS H H 1 9.251 0.020 . 1 . . . A 14 LYS H . 18951 1 158 . 1 1 14 14 LYS HA H 1 4.008 0.020 . 1 . . . A 14 LYS HA . 18951 1 159 . 1 1 14 14 LYS HB2 H 1 1.850 0.020 . 2 . . . A 14 LYS HB2 . 18951 1 160 . 1 1 14 14 LYS HB3 H 1 2.023 0.020 . 2 . . . A 14 LYS HB3 . 18951 1 161 . 1 1 14 14 LYS HG2 H 1 1.530 0.020 . 2 . . . A 14 LYS HG2 . 18951 1 162 . 1 1 14 14 LYS HG3 H 1 1.480 0.020 . 2 . . . A 14 LYS HG3 . 18951 1 163 . 1 1 14 14 LYS HD2 H 1 1.720 0.020 . 1 . . . A 14 LYS HD2 . 18951 1 164 . 1 1 14 14 LYS HD3 H 1 1.720 0.020 . 1 . . . A 14 LYS HD3 . 18951 1 165 . 1 1 14 14 LYS HE2 H 1 3.047 0.020 . 1 . . . A 14 LYS HE2 . 18951 1 166 . 1 1 14 14 LYS HE3 H 1 3.047 0.020 . 1 . . . A 14 LYS HE3 . 18951 1 167 . 1 1 14 14 LYS CA C 13 34.875 0.400 . 1 . . . A 14 LYS CA . 18951 1 168 . 1 1 14 14 LYS CB C 13 32.114 0.400 . 1 . . . A 14 LYS CB . 18951 1 169 . 1 1 14 14 LYS CG C 13 51.095 0.400 . 1 . . . A 14 LYS CG . 18951 1 170 . 1 1 14 14 LYS CD C 13 29.100 0.400 . 1 . . . A 14 LYS CD . 18951 1 171 . 1 1 14 14 LYS CE C 13 42.500 0.400 . 1 . . . A 14 LYS CE . 18951 1 172 . 1 1 14 14 LYS N N 15 126.125 0.400 . 1 . . . A 14 LYS N . 18951 1 173 . 1 1 15 15 GLN H H 1 9.132 0.020 . 1 . . . A 15 GLN H . 18951 1 174 . 1 1 15 15 GLN HA H 1 4.254 0.020 . 1 . . . A 15 GLN HA . 18951 1 175 . 1 1 15 15 GLN HB2 H 1 2.080 0.020 . 1 . . . A 15 GLN HB2 . 18951 1 176 . 1 1 15 15 GLN HB3 H 1 2.080 0.020 . 1 . . . A 15 GLN HB3 . 18951 1 177 . 1 1 15 15 GLN HG2 H 1 2.460 0.020 . 1 . . . A 15 GLN HG2 . 18951 1 178 . 1 1 15 15 GLN HG3 H 1 2.460 0.020 . 1 . . . A 15 GLN HG3 . 18951 1 179 . 1 1 15 15 GLN HE21 H 1 6.963 0.020 . 2 . . . A 15 GLN HE21 . 18951 1 180 . 1 1 15 15 GLN HE22 H 1 7.688 0.020 . 2 . . . A 15 GLN HE22 . 18951 1 181 . 1 1 15 15 GLN CA C 13 33.152 0.400 . 1 . . . A 15 GLN CA . 18951 1 182 . 1 1 15 15 GLN CB C 13 28.193 0.400 . 1 . . . A 15 GLN CB . 18951 1 183 . 1 1 15 15 GLN CG C 13 33.800 0.400 . 1 . . . A 15 GLN CG . 18951 1 184 . 1 1 15 15 GLN N N 15 115.429 0.400 . 1 . . . A 15 GLN N . 18951 1 185 . 1 1 15 15 GLN NE2 N 15 113.124 0.400 . 1 . . . A 15 GLN NE2 . 18951 1 186 . 1 1 16 16 ASP H H 1 7.315 0.020 . 1 . . . A 16 ASP H . 18951 1 187 . 1 1 16 16 ASP HA H 1 4.590 0.020 . 1 . . . A 16 ASP HA . 18951 1 188 . 1 1 16 16 ASP HB2 H 1 2.770 0.020 . 2 . . . A 16 ASP HB2 . 18951 1 189 . 1 1 16 16 ASP HB3 H 1 3.340 0.020 . 2 . . . A 16 ASP HB3 . 18951 1 190 . 1 1 16 16 ASP CA C 13 31.105 0.400 . 1 . . . A 16 ASP CA . 18951 1 191 . 1 1 16 16 ASP CB C 13 42.936 0.400 . 1 . . . A 16 ASP CB . 18951 1 192 . 1 1 16 16 ASP N N 15 119.626 0.400 . 1 . . . A 16 ASP N . 18951 1 193 . 1 1 17 17 LEU H H 1 7.864 0.020 . 1 . . . A 17 LEU H . 18951 1 194 . 1 1 17 17 LEU HA H 1 4.155 0.020 . 1 . . . A 17 LEU HA . 18951 1 195 . 1 1 17 17 LEU HB2 H 1 1.540 0.020 . 2 . . . A 17 LEU HB2 . 18951 1 196 . 1 1 17 17 LEU HB3 H 1 2.076 0.020 . 2 . . . A 17 LEU HB3 . 18951 1 197 . 1 1 17 17 LEU HG H 1 1.830 0.020 . 1 . . . A 17 LEU HG . 18951 1 198 . 1 1 17 17 LEU HD11 H 1 0.873 0.020 . 2 . . . A 17 LEU HD11 . 18951 1 199 . 1 1 17 17 LEU HD12 H 1 0.873 0.020 . 2 . . . A 17 LEU HD12 . 18951 1 200 . 1 1 17 17 LEU HD13 H 1 0.873 0.020 . 2 . . . A 17 LEU HD13 . 18951 1 201 . 1 1 17 17 LEU HD21 H 1 0.620 0.020 . 2 . . . A 17 LEU HD21 . 18951 1 202 . 1 1 17 17 LEU HD22 H 1 0.620 0.020 . 2 . . . A 17 LEU HD22 . 18951 1 203 . 1 1 17 17 LEU HD23 H 1 0.620 0.020 . 2 . . . A 17 LEU HD23 . 18951 1 204 . 1 1 17 17 LEU CA C 13 31.852 0.400 . 1 . . . A 17 LEU CA . 18951 1 205 . 1 1 17 17 LEU CB C 13 41.200 0.400 . 1 . . . A 17 LEU CB . 18951 1 206 . 1 1 17 17 LEU CG C 13 27.600 0.400 . 1 . . . A 17 LEU CG . 18951 1 207 . 1 1 17 17 LEU CD1 C 13 51.895 0.400 . 1 . . . A 17 LEU CD1 . 18951 1 208 . 1 1 17 17 LEU CD2 C 13 49.295 0.400 . 1 . . . A 17 LEU CD2 . 18951 1 209 . 1 1 17 17 LEU N N 15 121.081 0.400 . 1 . . . A 17 LEU N . 18951 1 210 . 1 1 18 18 ASP H H 1 8.684 0.020 . 1 . . . A 18 ASP H . 18951 1 211 . 1 1 18 18 ASP HA H 1 4.412 0.020 . 1 . . . A 18 ASP HA . 18951 1 212 . 1 1 18 18 ASP HB2 H 1 2.650 0.020 . 2 . . . A 18 ASP HB2 . 18951 1 213 . 1 1 18 18 ASP HB3 H 1 2.730 0.020 . 2 . . . A 18 ASP HB3 . 18951 1 214 . 1 1 18 18 ASP CA C 13 31.556 0.400 . 1 . . . A 18 ASP CA . 18951 1 215 . 1 1 18 18 ASP CB C 13 40.492 0.400 . 1 . . . A 18 ASP CB . 18951 1 216 . 1 1 18 18 ASP N N 15 120.789 0.400 . 1 . . . A 18 ASP N . 18951 1 217 . 1 1 19 19 ARG H H 1 7.759 0.020 . 1 . . . A 19 ARG H . 18951 1 218 . 1 1 19 19 ARG HA H 1 4.045 0.020 . 1 . . . A 19 ARG HA . 18951 1 219 . 1 1 19 19 ARG HB2 H 1 2.019 0.020 . 1 . . . A 19 ARG HB2 . 18951 1 220 . 1 1 19 19 ARG HB3 H 1 2.019 0.020 . 1 . . . A 19 ARG HB3 . 18951 1 221 . 1 1 19 19 ARG HG2 H 1 1.570 0.020 . 2 . . . A 19 ARG HG2 . 18951 1 222 . 1 1 19 19 ARG HG3 H 1 1.884 0.020 . 2 . . . A 19 ARG HG3 . 18951 1 223 . 1 1 19 19 ARG HD2 H 1 3.370 0.020 . 1 . . . A 19 ARG HD2 . 18951 1 224 . 1 1 19 19 ARG HD3 H 1 3.370 0.020 . 1 . . . A 19 ARG HD3 . 18951 1 225 . 1 1 19 19 ARG CA C 13 33.661 0.400 . 1 . . . A 19 ARG CA . 18951 1 226 . 1 1 19 19 ARG CB C 13 30.150 0.400 . 1 . . . A 19 ARG CB . 18951 1 227 . 1 1 19 19 ARG CG C 13 28.770 0.400 . 1 . . . A 19 ARG CG . 18951 1 228 . 1 1 19 19 ARG CD C 13 43.500 0.400 . 1 . . . A 19 ARG CD . 18951 1 229 . 1 1 19 19 ARG N N 15 121.558 0.400 . 1 . . . A 19 ARG N . 18951 1 230 . 1 1 20 20 LEU H H 1 8.459 0.020 . 1 . . . A 20 LEU H . 18951 1 231 . 1 1 20 20 LEU HA H 1 4.008 0.020 . 1 . . . A 20 LEU HA . 18951 1 232 . 1 1 20 20 LEU HB2 H 1 1.690 0.020 . 2 . . . A 20 LEU HB2 . 18951 1 233 . 1 1 20 20 LEU HB3 H 1 2.263 0.020 . 2 . . . A 20 LEU HB3 . 18951 1 234 . 1 1 20 20 LEU HG H 1 1.586 0.020 . 1 . . . A 20 LEU HG . 18951 1 235 . 1 1 20 20 LEU HD11 H 1 0.760 0.020 . 2 . . . A 20 LEU HD11 . 18951 1 236 . 1 1 20 20 LEU HD12 H 1 0.760 0.020 . 2 . . . A 20 LEU HD12 . 18951 1 237 . 1 1 20 20 LEU HD13 H 1 0.760 0.020 . 2 . . . A 20 LEU HD13 . 18951 1 238 . 1 1 20 20 LEU HD21 H 1 0.948 0.020 . 2 . . . A 20 LEU HD21 . 18951 1 239 . 1 1 20 20 LEU HD22 H 1 0.948 0.020 . 2 . . . A 20 LEU HD22 . 18951 1 240 . 1 1 20 20 LEU HD23 H 1 0.948 0.020 . 2 . . . A 20 LEU HD23 . 18951 1 241 . 1 1 20 20 LEU CA C 13 32.109 0.400 . 1 . . . A 20 LEU CA . 18951 1 242 . 1 1 20 20 LEU CB C 13 41.200 0.400 . 1 . . . A 20 LEU CB . 18951 1 243 . 1 1 20 20 LEU CG C 13 26.700 0.400 . 1 . . . A 20 LEU CG . 18951 1 244 . 1 1 20 20 LEU CD1 C 13 26.700 0.400 . 1 . . . A 20 LEU CD1 . 18951 1 245 . 1 1 20 20 LEU CD2 C 13 49.845 0.400 . 1 . . . A 20 LEU CD2 . 18951 1 246 . 1 1 20 20 LEU N N 15 120.844 0.400 . 1 . . . A 20 LEU N . 18951 1 247 . 1 1 21 21 LYS H H 1 8.531 0.020 . 1 . . . A 21 LYS H . 18951 1 248 . 1 1 21 21 LYS HA H 1 3.850 0.020 . 1 . . . A 21 LYS HA . 18951 1 249 . 1 1 21 21 LYS HB2 H 1 2.060 0.020 . 2 . . . A 21 LYS HB2 . 18951 1 250 . 1 1 21 21 LYS HB3 H 1 2.110 0.020 . 2 . . . A 21 LYS HB3 . 18951 1 251 . 1 1 21 21 LYS HG2 H 1 1.663 0.020 . 2 . . . A 21 LYS HG2 . 18951 1 252 . 1 1 21 21 LYS HG3 H 1 1.526 0.020 . 2 . . . A 21 LYS HG3 . 18951 1 253 . 1 1 21 21 LYS HD2 H 1 1.790 0.020 . 1 . . . A 21 LYS HD2 . 18951 1 254 . 1 1 21 21 LYS HD3 H 1 1.790 0.020 . 1 . . . A 21 LYS HD3 . 18951 1 255 . 1 1 21 21 LYS HE2 H 1 3.030 0.020 . 1 . . . A 21 LYS HE2 . 18951 1 256 . 1 1 21 21 LYS HE3 H 1 3.030 0.020 . 1 . . . A 21 LYS HE3 . 18951 1 257 . 1 1 21 21 LYS CA C 13 34.335 0.400 . 1 . . . A 21 LYS CA . 18951 1 258 . 1 1 21 21 LYS CB C 13 32.986 0.400 . 1 . . . A 21 LYS CB . 18951 1 259 . 1 1 21 21 LYS CG C 13 51.695 0.400 . 1 . . . A 21 LYS CG . 18951 1 260 . 1 1 21 21 LYS CD C 13 29.980 0.400 . 1 . . . A 21 LYS CD . 18951 1 261 . 1 1 21 21 LYS CE C 13 42.100 0.400 . 1 . . . A 21 LYS CE . 18951 1 262 . 1 1 21 21 LYS N N 15 119.771 0.400 . 1 . . . A 21 LYS N . 18951 1 263 . 1 1 22 22 ARG H H 1 7.653 0.020 . 1 . . . A 22 ARG H . 18951 1 264 . 1 1 22 22 ARG HA H 1 4.130 0.020 . 1 . . . A 22 ARG HA . 18951 1 265 . 1 1 22 22 ARG HB2 H 1 2.012 0.020 . 1 . . . A 22 ARG HB2 . 18951 1 266 . 1 1 22 22 ARG HB3 H 1 2.012 0.020 . 1 . . . A 22 ARG HB3 . 18951 1 267 . 1 1 22 22 ARG HG2 H 1 1.650 0.020 . 2 . . . A 22 ARG HG2 . 18951 1 268 . 1 1 22 22 ARG HG3 H 1 1.854 0.020 . 2 . . . A 22 ARG HG3 . 18951 1 269 . 1 1 22 22 ARG HD2 H 1 3.237 0.020 . 1 . . . A 22 ARG HD2 . 18951 1 270 . 1 1 22 22 ARG HD3 H 1 3.237 0.020 . 1 . . . A 22 ARG HD3 . 18951 1 271 . 1 1 22 22 ARG CA C 13 33.390 0.400 . 1 . . . A 22 ARG CA . 18951 1 272 . 1 1 22 22 ARG CB C 13 30.103 0.400 . 1 . . . A 22 ARG CB . 18951 1 273 . 1 1 22 22 ARG CG C 13 27.940 0.400 . 1 . . . A 22 ARG CG . 18951 1 274 . 1 1 22 22 ARG CD C 13 43.500 0.400 . 1 . . . A 22 ARG CD . 18951 1 275 . 1 1 22 22 ARG N N 15 119.843 0.400 . 1 . . . A 22 ARG N . 18951 1 276 . 1 1 23 23 VAL H H 1 8.443 0.020 . 1 . . . A 23 VAL H . 18951 1 277 . 1 1 23 23 VAL HA H 1 3.630 0.020 . 1 . . . A 23 VAL HA . 18951 1 278 . 1 1 23 23 VAL HB H 1 2.155 0.020 . 1 . . . A 23 VAL HB . 18951 1 279 . 1 1 23 23 VAL HG11 H 1 0.993 0.020 . 2 . . . A 23 VAL HG11 . 18951 1 280 . 1 1 23 23 VAL HG12 H 1 0.993 0.020 . 2 . . . A 23 VAL HG12 . 18951 1 281 . 1 1 23 23 VAL HG13 H 1 0.993 0.020 . 2 . . . A 23 VAL HG13 . 18951 1 282 . 1 1 23 23 VAL HG21 H 1 0.990 0.020 . 2 . . . A 23 VAL HG21 . 18951 1 283 . 1 1 23 23 VAL HG22 H 1 0.990 0.020 . 2 . . . A 23 VAL HG22 . 18951 1 284 . 1 1 23 23 VAL HG23 H 1 0.990 0.020 . 2 . . . A 23 VAL HG23 . 18951 1 285 . 1 1 23 23 VAL CA C 13 40.891 0.400 . 1 . . . A 23 VAL CA . 18951 1 286 . 1 1 23 23 VAL CB C 13 31.663 0.400 . 1 . . . A 23 VAL CB . 18951 1 287 . 1 1 23 23 VAL CG1 C 13 48.895 0.400 . 1 . . . A 23 VAL CG1 . 18951 1 288 . 1 1 23 23 VAL CG2 C 13 50.595 0.400 . 1 . . . A 23 VAL CG2 . 18951 1 289 . 1 1 23 23 VAL N N 15 120.992 0.400 . 1 . . . A 23 VAL N . 18951 1 290 . 1 1 24 24 ILE H H 1 8.618 0.020 . 1 . . . A 24 ILE H . 18951 1 291 . 1 1 24 24 ILE HA H 1 3.156 0.020 . 1 . . . A 24 ILE HA . 18951 1 292 . 1 1 24 24 ILE HB H 1 1.818 0.020 . 1 . . . A 24 ILE HB . 18951 1 293 . 1 1 24 24 ILE HG12 H 1 1.700 0.020 . 2 . . . A 24 ILE HG12 . 18951 1 294 . 1 1 24 24 ILE HG13 H 1 0.535 0.020 . 2 . . . A 24 ILE HG13 . 18951 1 295 . 1 1 24 24 ILE HG21 H 1 0.970 0.020 . 1 . . . A 24 ILE HG21 . 18951 1 296 . 1 1 24 24 ILE HG22 H 1 0.970 0.020 . 1 . . . A 24 ILE HG22 . 18951 1 297 . 1 1 24 24 ILE HG23 H 1 0.970 0.020 . 1 . . . A 24 ILE HG23 . 18951 1 298 . 1 1 24 24 ILE HD11 H 1 0.833 0.020 . 1 . . . A 24 ILE HD11 . 18951 1 299 . 1 1 24 24 ILE HD12 H 1 0.833 0.020 . 1 . . . A 24 ILE HD12 . 18951 1 300 . 1 1 24 24 ILE HD13 H 1 0.833 0.020 . 1 . . . A 24 ILE HD13 . 18951 1 301 . 1 1 24 24 ILE CA C 13 40.235 0.400 . 1 . . . A 24 ILE CA . 18951 1 302 . 1 1 24 24 ILE CB C 13 38.413 0.400 . 1 . . . A 24 ILE CB . 18951 1 303 . 1 1 24 24 ILE CG1 C 13 29.850 0.400 . 1 . . . A 24 ILE CG1 . 18951 1 304 . 1 1 24 24 ILE CG2 C 13 43.895 0.400 . 1 . . . A 24 ILE CG2 . 18951 1 305 . 1 1 24 24 ILE CD1 C 13 42.295 0.400 . 1 . . . A 24 ILE CD1 . 18951 1 306 . 1 1 24 24 ILE N N 15 121.095 0.400 . 1 . . . A 24 ILE N . 18951 1 307 . 1 1 25 25 ALA H H 1 7.795 0.020 . 1 . . . A 25 ALA H . 18951 1 308 . 1 1 25 25 ALA HA H 1 4.172 0.020 . 1 . . . A 25 ALA HA . 18951 1 309 . 1 1 25 25 ALA HB1 H 1 1.526 0.020 . 1 . . . A 25 ALA HB1 . 18951 1 310 . 1 1 25 25 ALA HB2 H 1 1.526 0.020 . 1 . . . A 25 ALA HB2 . 18951 1 311 . 1 1 25 25 ALA HB3 H 1 1.526 0.020 . 1 . . . A 25 ALA HB3 . 18951 1 312 . 1 1 25 25 ALA CA C 13 28.655 0.400 . 1 . . . A 25 ALA CA . 18951 1 313 . 1 1 25 25 ALA CB C 13 44.275 0.400 . 1 . . . A 25 ALA CB . 18951 1 314 . 1 1 25 25 ALA N N 15 122.768 0.400 . 1 . . . A 25 ALA N . 18951 1 315 . 1 1 26 26 LEU H H 1 7.489 0.020 . 1 . . . A 26 LEU H . 18951 1 316 . 1 1 26 26 LEU HA H 1 4.210 0.020 . 1 . . . A 26 LEU HA . 18951 1 317 . 1 1 26 26 LEU HB2 H 1 1.720 0.020 . 1 . . . A 26 LEU HB2 . 18951 1 318 . 1 1 26 26 LEU HB3 H 1 1.720 0.020 . 1 . . . A 26 LEU HB3 . 18951 1 319 . 1 1 26 26 LEU HG H 1 1.573 0.020 . 1 . . . A 26 LEU HG . 18951 1 320 . 1 1 26 26 LEU HD11 H 1 0.874 0.020 . 2 . . . A 26 LEU HD11 . 18951 1 321 . 1 1 26 26 LEU HD12 H 1 0.874 0.020 . 2 . . . A 26 LEU HD12 . 18951 1 322 . 1 1 26 26 LEU HD13 H 1 0.874 0.020 . 2 . . . A 26 LEU HD13 . 18951 1 323 . 1 1 26 26 LEU HD21 H 1 0.884 0.020 . 2 . . . A 26 LEU HD21 . 18951 1 324 . 1 1 26 26 LEU HD22 H 1 0.884 0.020 . 2 . . . A 26 LEU HD22 . 18951 1 325 . 1 1 26 26 LEU HD23 H 1 0.884 0.020 . 2 . . . A 26 LEU HD23 . 18951 1 326 . 1 1 26 26 LEU CA C 13 31.005 0.400 . 1 . . . A 26 LEU CA . 18951 1 327 . 1 1 26 26 LEU CB C 13 43.345 0.400 . 1 . . . A 26 LEU CB . 18951 1 328 . 1 1 26 26 LEU CG C 13 27.090 0.400 . 1 . . . A 26 LEU CG . 18951 1 329 . 1 1 26 26 LEU CD1 C 13 50.595 0.400 . 1 . . . A 26 LEU CD1 . 18951 1 330 . 1 1 26 26 LEU CD2 C 13 50.375 0.400 . 1 . . . A 26 LEU CD2 . 18951 1 331 . 1 1 26 26 LEU N N 15 117.435 0.400 . 1 . . . A 26 LEU N . 18951 1 332 . 1 1 27 27 LYS H H 1 8.358 0.020 . 1 . . . A 27 LYS H . 18951 1 333 . 1 1 27 27 LYS HA H 1 4.079 0.020 . 1 . . . A 27 LYS HA . 18951 1 334 . 1 1 27 27 LYS HB2 H 1 1.660 0.020 . 2 . . . A 27 LYS HB2 . 18951 1 335 . 1 1 27 27 LYS HB3 H 1 1.490 0.020 . 2 . . . A 27 LYS HB3 . 18951 1 336 . 1 1 27 27 LYS HG2 H 1 0.977 0.020 . 2 . . . A 27 LYS HG2 . 18951 1 337 . 1 1 27 27 LYS HG3 H 1 1.328 0.020 . 2 . . . A 27 LYS HG3 . 18951 1 338 . 1 1 27 27 LYS HD2 H 1 1.560 0.020 . 1 . . . A 27 LYS HD2 . 18951 1 339 . 1 1 27 27 LYS HD3 H 1 1.560 0.020 . 1 . . . A 27 LYS HD3 . 18951 1 340 . 1 1 27 27 LYS HE2 H 1 2.644 0.020 . 2 . . . A 27 LYS HE2 . 18951 1 341 . 1 1 27 27 LYS HE3 H 1 2.788 0.020 . 2 . . . A 27 LYS HE3 . 18951 1 342 . 1 1 27 27 LYS CA C 13 29.196 0.400 . 1 . . . A 27 LYS CA . 18951 1 343 . 1 1 27 27 LYS CB C 13 32.049 0.400 . 1 . . . A 27 LYS CB . 18951 1 344 . 1 1 27 27 LYS CG C 13 50.695 0.400 . 1 . . . A 27 LYS CG . 18951 1 345 . 1 1 27 27 LYS CD C 13 26.600 0.400 . 1 . . . A 27 LYS CD . 18951 1 346 . 1 1 27 27 LYS CE C 13 41.620 0.400 . 1 . . . A 27 LYS CE . 18951 1 347 . 1 1 27 27 LYS N N 15 116.796 0.400 . 1 . . . A 27 LYS N . 18951 1 348 . 1 1 28 28 LYS H H 1 8.544 0.020 . 1 . . . A 28 LYS H . 18951 1 349 . 1 1 28 28 LYS HA H 1 4.108 0.020 . 1 . . . A 28 LYS HA . 18951 1 350 . 1 1 28 28 LYS HB2 H 1 1.726 0.020 . 2 . . . A 28 LYS HB2 . 18951 1 351 . 1 1 28 28 LYS HB3 H 1 1.904 0.020 . 2 . . . A 28 LYS HB3 . 18951 1 352 . 1 1 28 28 LYS HG2 H 1 1.318 0.020 . 2 . . . A 28 LYS HG2 . 18951 1 353 . 1 1 28 28 LYS HG3 H 1 1.395 0.020 . 2 . . . A 28 LYS HG3 . 18951 1 354 . 1 1 28 28 LYS HE2 H 1 3.065 0.020 . 1 . . . A 28 LYS HE2 . 18951 1 355 . 1 1 28 28 LYS HE3 H 1 3.065 0.020 . 1 . . . A 28 LYS HE3 . 18951 1 356 . 1 1 28 28 LYS CA C 13 30.475 0.400 . 1 . . . A 28 LYS CA . 18951 1 357 . 1 1 28 28 LYS CB C 13 30.495 0.400 . 1 . . . A 28 LYS CB . 18951 1 358 . 1 1 28 28 LYS CG C 13 50.935 0.400 . 1 . . . A 28 LYS CG . 18951 1 359 . 1 1 28 28 LYS N N 15 116.168 0.400 . 1 . . . A 28 LYS N . 18951 1 360 . 1 1 29 29 PRO HA H 1 4.146 0.020 . 1 . . . A 29 PRO HA . 18951 1 361 . 1 1 29 29 PRO HB2 H 1 1.680 0.020 . 2 . . . A 29 PRO HB2 . 18951 1 362 . 1 1 29 29 PRO HB3 H 1 0.890 0.020 . 2 . . . A 29 PRO HB3 . 18951 1 363 . 1 1 29 29 PRO HG2 H 1 1.510 0.020 . 2 . . . A 29 PRO HG2 . 18951 1 364 . 1 1 29 29 PRO HG3 H 1 0.250 0.020 . 2 . . . A 29 PRO HG3 . 18951 1 365 . 1 1 29 29 PRO HD2 H 1 3.880 0.020 . 2 . . . A 29 PRO HD2 . 18951 1 366 . 1 1 29 29 PRO HD3 H 1 2.820 0.020 . 2 . . . A 29 PRO HD3 . 18951 1 367 . 1 1 29 29 PRO CA C 13 37.125 0.400 . 1 . . . A 29 PRO CA . 18951 1 368 . 1 1 29 29 PRO CB C 13 32.100 0.400 . 1 . . . A 29 PRO CB . 18951 1 369 . 1 1 29 29 PRO CG C 13 27.400 0.400 . 1 . . . A 29 PRO CG . 18951 1 370 . 1 1 29 29 PRO CD C 13 51.550 0.400 . 1 . . . A 29 PRO CD . 18951 1 371 . 1 1 30 30 SER H H 1 9.003 0.020 . 1 . . . A 30 SER H . 18951 1 372 . 1 1 30 30 SER HA H 1 4.971 0.020 . 1 . . . A 30 SER HA . 18951 1 373 . 1 1 30 30 SER HB2 H 1 4.176 0.020 . 2 . . . A 30 SER HB2 . 18951 1 374 . 1 1 30 30 SER HB3 H 1 4.558 0.020 . 2 . . . A 30 SER HB3 . 18951 1 375 . 1 1 30 30 SER CA C 13 32.065 0.400 . 1 . . . A 30 SER CA . 18951 1 376 . 1 1 30 30 SER CB C 13 39.086 0.400 . 1 . . . A 30 SER CB . 18951 1 377 . 1 1 30 30 SER N N 15 116.657 0.400 . 1 . . . A 30 SER N . 18951 1 378 . 1 1 31 31 ALA H H 1 9.031 0.020 . 1 . . . A 31 ALA H . 18951 1 379 . 1 1 31 31 ALA HA H 1 4.773 0.020 . 1 . . . A 31 ALA HA . 18951 1 380 . 1 1 31 31 ALA HB1 H 1 1.657 0.020 . 1 . . . A 31 ALA HB1 . 18951 1 381 . 1 1 31 31 ALA HB2 H 1 1.657 0.020 . 1 . . . A 31 ALA HB2 . 18951 1 382 . 1 1 31 31 ALA HB3 H 1 1.657 0.020 . 1 . . . A 31 ALA HB3 . 18951 1 383 . 1 1 31 31 ALA CA C 13 27.985 0.400 . 1 . . . A 31 ALA CA . 18951 1 384 . 1 1 31 31 ALA CB C 13 45.505 0.400 . 1 . . . A 31 ALA CB . 18951 1 385 . 1 1 31 31 ALA N N 15 118.256 0.400 . 1 . . . A 31 ALA N . 18951 1 386 . 1 1 32 32 SER H H 1 8.737 0.020 . 1 . . . A 32 SER H . 18951 1 387 . 1 1 32 32 SER HA H 1 4.315 0.020 . 1 . . . A 32 SER HA . 18951 1 388 . 1 1 32 32 SER HB2 H 1 4.049 0.020 . 1 . . . A 32 SER HB2 . 18951 1 389 . 1 1 32 32 SER HB3 H 1 4.049 0.020 . 1 . . . A 32 SER HB3 . 18951 1 390 . 1 1 32 32 SER CA C 13 32.525 0.400 . 1 . . . A 32 SER CA . 18951 1 391 . 1 1 32 32 SER CB C 13 38.556 0.400 . 1 . . . A 32 SER CB . 18951 1 392 . 1 1 32 32 SER N N 15 117.751 0.400 . 1 . . . A 32 SER N . 18951 1 393 . 1 1 33 33 ASP H H 1 9.156 0.020 . 1 . . . A 33 ASP H . 18951 1 394 . 1 1 33 33 ASP HA H 1 4.410 0.020 . 1 . . . A 33 ASP HA . 18951 1 395 . 1 1 33 33 ASP HB2 H 1 2.699 0.020 . 1 . . . A 33 ASP HB2 . 18951 1 396 . 1 1 33 33 ASP HB3 H 1 2.699 0.020 . 1 . . . A 33 ASP HB3 . 18951 1 397 . 1 1 33 33 ASP CA C 13 31.926 0.400 . 1 . . . A 33 ASP CA . 18951 1 398 . 1 1 33 33 ASP CB C 13 39.580 0.400 . 1 . . . A 33 ASP CB . 18951 1 399 . 1 1 33 33 ASP N N 15 124.239 0.400 . 1 . . . A 33 ASP N . 18951 1 400 . 1 1 34 34 ALA H H 1 8.716 0.020 . 1 . . . A 34 ALA H . 18951 1 401 . 1 1 34 34 ALA HA H 1 4.152 0.020 . 1 . . . A 34 ALA HA . 18951 1 402 . 1 1 34 34 ALA HB1 H 1 1.457 0.020 . 1 . . . A 34 ALA HB1 . 18951 1 403 . 1 1 34 34 ALA HB2 H 1 1.457 0.020 . 1 . . . A 34 ALA HB2 . 18951 1 404 . 1 1 34 34 ALA HB3 H 1 1.457 0.020 . 1 . . . A 34 ALA HB3 . 18951 1 405 . 1 1 34 34 ALA CA C 13 29.705 0.400 . 1 . . . A 34 ALA CA . 18951 1 406 . 1 1 34 34 ALA CB C 13 44.220 0.400 . 1 . . . A 34 ALA CB . 18951 1 407 . 1 1 34 34 ALA N N 15 124.661 0.400 . 1 . . . A 34 ALA N . 18951 1 408 . 1 1 35 35 ASP H H 1 7.897 0.020 . 1 . . . A 35 ASP H . 18951 1 409 . 1 1 35 35 ASP HA H 1 4.362 0.020 . 1 . . . A 35 ASP HA . 18951 1 410 . 1 1 35 35 ASP HB2 H 1 2.220 0.020 . 2 . . . A 35 ASP HB2 . 18951 1 411 . 1 1 35 35 ASP HB3 H 1 2.830 0.020 . 2 . . . A 35 ASP HB3 . 18951 1 412 . 1 1 35 35 ASP CA C 13 31.085 0.400 . 1 . . . A 35 ASP CA . 18951 1 413 . 1 1 35 35 ASP CB C 13 39.377 0.400 . 1 . . . A 35 ASP CB . 18951 1 414 . 1 1 35 35 ASP N N 15 121.111 0.400 . 1 . . . A 35 ASP N . 18951 1 415 . 1 1 36 36 TRP H H 1 8.061 0.020 . 1 . . . A 36 TRP H . 18951 1 416 . 1 1 36 36 TRP HA H 1 3.880 0.020 . 1 . . . A 36 TRP HA . 18951 1 417 . 1 1 36 36 TRP HB2 H 1 2.930 0.020 . 2 . . . A 36 TRP HB2 . 18951 1 418 . 1 1 36 36 TRP HB3 H 1 3.240 0.020 . 2 . . . A 36 TRP HB3 . 18951 1 419 . 1 1 36 36 TRP HD1 H 1 7.706 0.020 . 1 . . . A 36 TRP HD1 . 18951 1 420 . 1 1 36 36 TRP HE1 H 1 9.576 0.020 . 1 . . . A 36 TRP HE1 . 18951 1 421 . 1 1 36 36 TRP HE3 H 1 7.126 0.020 . 1 . . . A 36 TRP HE3 . 18951 1 422 . 1 1 36 36 TRP HZ2 H 1 4.599 0.020 . 1 . . . A 36 TRP HZ2 . 18951 1 423 . 1 1 36 36 TRP HZ3 H 1 6.424 0.020 . 1 . . . A 36 TRP HZ3 . 18951 1 424 . 1 1 36 36 TRP HH2 H 1 5.897 0.020 . 1 . . . A 36 TRP HH2 . 18951 1 425 . 1 1 36 36 TRP CA C 13 35.255 0.400 . 1 . . . A 36 TRP CA . 18951 1 426 . 1 1 36 36 TRP CB C 13 28.515 0.400 . 1 . . . A 36 TRP CB . 18951 1 427 . 1 1 36 36 TRP CD1 C 13 129.060 0.400 . 1 . . . A 36 TRP CD1 . 18951 1 428 . 1 1 36 36 TRP CE3 C 13 118.065 0.400 . 1 . . . A 36 TRP CE3 . 18951 1 429 . 1 1 36 36 TRP CZ2 C 13 114.350 0.400 . 1 . . . A 36 TRP CZ2 . 18951 1 430 . 1 1 36 36 TRP CZ3 C 13 120.221 0.400 . 1 . . . A 36 TRP CZ3 . 18951 1 431 . 1 1 36 36 TRP CH2 C 13 123.050 0.400 . 1 . . . A 36 TRP CH2 . 18951 1 432 . 1 1 36 36 TRP N N 15 121.306 0.400 . 1 . . . A 36 TRP N . 18951 1 433 . 1 1 36 36 TRP NE1 N 15 110.404 0.400 . 1 . . . A 36 TRP NE1 . 18951 1 434 . 1 1 37 37 THR H H 1 8.658 0.020 . 1 . . . A 37 THR H . 18951 1 435 . 1 1 37 37 THR HA H 1 3.975 0.020 . 1 . . . A 37 THR HA . 18951 1 436 . 1 1 37 37 THR HB H 1 4.465 0.020 . 1 . . . A 37 THR HB . 18951 1 437 . 1 1 37 37 THR HG21 H 1 1.257 0.020 . 1 . . . A 37 THR HG21 . 18951 1 438 . 1 1 37 37 THR HG22 H 1 1.257 0.020 . 1 . . . A 37 THR HG22 . 18951 1 439 . 1 1 37 37 THR HG23 H 1 1.257 0.020 . 1 . . . A 37 THR HG23 . 18951 1 440 . 1 1 37 37 THR CA C 13 41.605 0.400 . 1 . . . A 37 THR CA . 18951 1 441 . 1 1 37 37 THR CB C 13 42.055 0.400 . 1 . . . A 37 THR CB . 18951 1 442 . 1 1 37 37 THR CG2 C 13 47.215 0.400 . 1 . . . A 37 THR CG2 . 18951 1 443 . 1 1 37 37 THR N N 15 122.204 0.400 . 1 . . . A 37 THR N . 18951 1 444 . 1 1 38 38 GLU H H 1 7.229 0.020 . 1 . . . A 38 GLU H . 18951 1 445 . 1 1 38 38 GLU HA H 1 4.240 0.020 . 1 . . . A 38 GLU HA . 18951 1 446 . 1 1 38 38 GLU HB2 H 1 1.970 0.020 . 2 . . . A 38 GLU HB2 . 18951 1 447 . 1 1 38 38 GLU HB3 H 1 2.120 0.020 . 2 . . . A 38 GLU HB3 . 18951 1 448 . 1 1 38 38 GLU HG2 H 1 2.284 0.020 . 1 . . . A 38 GLU HG2 . 18951 1 449 . 1 1 38 38 GLU HG3 H 1 2.284 0.020 . 1 . . . A 38 GLU HG3 . 18951 1 450 . 1 1 38 38 GLU CA C 13 33.094 0.400 . 1 . . . A 38 GLU CA . 18951 1 451 . 1 1 38 38 GLU CB C 13 28.775 0.400 . 1 . . . A 38 GLU CB . 18951 1 452 . 1 1 38 38 GLU CG C 13 35.800 0.400 . 1 . . . A 38 GLU CG . 18951 1 453 . 1 1 38 38 GLU N N 15 122.790 0.400 . 1 . . . A 38 GLU N . 18951 1 454 . 1 1 39 39 VAL H H 1 7.392 0.020 . 1 . . . A 39 VAL H . 18951 1 455 . 1 1 39 39 VAL HA H 1 3.287 0.020 . 1 . . . A 39 VAL HA . 18951 1 456 . 1 1 39 39 VAL HB H 1 2.080 0.020 . 1 . . . A 39 VAL HB . 18951 1 457 . 1 1 39 39 VAL HG11 H 1 0.110 0.020 . 2 . . . A 39 VAL HG11 . 18951 1 458 . 1 1 39 39 VAL HG12 H 1 0.110 0.020 . 2 . . . A 39 VAL HG12 . 18951 1 459 . 1 1 39 39 VAL HG13 H 1 0.110 0.020 . 2 . . . A 39 VAL HG13 . 18951 1 460 . 1 1 39 39 VAL HG21 H 1 0.690 0.020 . 2 . . . A 39 VAL HG21 . 18951 1 461 . 1 1 39 39 VAL HG22 H 1 0.690 0.020 . 2 . . . A 39 VAL HG22 . 18951 1 462 . 1 1 39 39 VAL HG23 H 1 0.690 0.020 . 2 . . . A 39 VAL HG23 . 18951 1 463 . 1 1 39 39 VAL CA C 13 40.331 0.400 . 1 . . . A 39 VAL CA . 18951 1 464 . 1 1 39 39 VAL CB C 13 30.913 0.400 . 1 . . . A 39 VAL CB . 18951 1 465 . 1 1 39 39 VAL CG1 C 13 47.345 0.400 . 1 . . . A 39 VAL CG1 . 18951 1 466 . 1 1 39 39 VAL CG2 C 13 47.345 0.400 . 1 . . . A 39 VAL CG2 . 18951 1 467 . 1 1 39 39 VAL N N 15 118.792 0.400 . 1 . . . A 39 VAL N . 18951 1 468 . 1 1 40 40 LEU H H 1 8.305 0.020 . 1 . . . A 40 LEU H . 18951 1 469 . 1 1 40 40 LEU HA H 1 4.048 0.020 . 1 . . . A 40 LEU HA . 18951 1 470 . 1 1 40 40 LEU HB2 H 1 1.860 0.020 . 2 . . . A 40 LEU HB2 . 18951 1 471 . 1 1 40 40 LEU HB3 H 1 1.940 0.020 . 2 . . . A 40 LEU HB3 . 18951 1 472 . 1 1 40 40 LEU HG H 1 2.140 0.020 . 1 . . . A 40 LEU HG . 18951 1 473 . 1 1 40 40 LEU HD11 H 1 0.804 0.020 . 2 . . . A 40 LEU HD11 . 18951 1 474 . 1 1 40 40 LEU HD12 H 1 0.804 0.020 . 2 . . . A 40 LEU HD12 . 18951 1 475 . 1 1 40 40 LEU HD13 H 1 0.804 0.020 . 2 . . . A 40 LEU HD13 . 18951 1 476 . 1 1 40 40 LEU HD21 H 1 0.786 0.020 . 2 . . . A 40 LEU HD21 . 18951 1 477 . 1 1 40 40 LEU HD22 H 1 0.786 0.020 . 2 . . . A 40 LEU HD22 . 18951 1 478 . 1 1 40 40 LEU HD23 H 1 0.786 0.020 . 2 . . . A 40 LEU HD23 . 18951 1 479 . 1 1 40 40 LEU CA C 13 32.754 0.400 . 1 . . . A 40 LEU CA . 18951 1 480 . 1 1 40 40 LEU CB C 13 42.150 0.400 . 1 . . . A 40 LEU CB . 18951 1 481 . 1 1 40 40 LEU CG C 13 26.500 0.400 . 1 . . . A 40 LEU CG . 18951 1 482 . 1 1 40 40 LEU CD1 C 13 51.925 0.400 . 1 . . . A 40 LEU CD1 . 18951 1 483 . 1 1 40 40 LEU CD2 C 13 52.035 0.400 . 1 . . . A 40 LEU CD2 . 18951 1 484 . 1 1 40 40 LEU N N 15 119.835 0.400 . 1 . . . A 40 LEU N . 18951 1 485 . 1 1 41 41 ARG H H 1 8.132 0.020 . 1 . . . A 41 ARG H . 18951 1 486 . 1 1 41 41 ARG HA H 1 4.059 0.020 . 1 . . . A 41 ARG HA . 18951 1 487 . 1 1 41 41 ARG HB2 H 1 1.960 0.020 . 1 . . . A 41 ARG HB2 . 18951 1 488 . 1 1 41 41 ARG HB3 H 1 1.960 0.020 . 1 . . . A 41 ARG HB3 . 18951 1 489 . 1 1 41 41 ARG HG2 H 1 1.580 0.020 . 2 . . . A 41 ARG HG2 . 18951 1 490 . 1 1 41 41 ARG HG3 H 1 1.793 0.020 . 2 . . . A 41 ARG HG3 . 18951 1 491 . 1 1 41 41 ARG HD2 H 1 3.180 0.020 . 1 . . . A 41 ARG HD2 . 18951 1 492 . 1 1 41 41 ARG HD3 H 1 3.180 0.020 . 1 . . . A 41 ARG HD3 . 18951 1 493 . 1 1 41 41 ARG CA C 13 33.613 0.400 . 1 . . . A 41 ARG CA . 18951 1 494 . 1 1 41 41 ARG CB C 13 30.288 0.400 . 1 . . . A 41 ARG CB . 18951 1 495 . 1 1 41 41 ARG CG C 13 27.800 0.400 . 1 . . . A 41 ARG CG . 18951 1 496 . 1 1 41 41 ARG CD C 13 43.400 0.400 . 1 . . . A 41 ARG CD . 18951 1 497 . 1 1 41 41 ARG N N 15 123.317 0.400 . 1 . . . A 41 ARG N . 18951 1 498 . 1 1 42 42 LEU H H 1 7.627 0.020 . 1 . . . A 42 LEU H . 18951 1 499 . 1 1 42 42 LEU HA H 1 4.123 0.020 . 1 . . . A 42 LEU HA . 18951 1 500 . 1 1 42 42 LEU HB2 H 1 1.421 0.020 . 2 . . . A 42 LEU HB2 . 18951 1 501 . 1 1 42 42 LEU HB3 H 1 1.836 0.020 . 2 . . . A 42 LEU HB3 . 18951 1 502 . 1 1 42 42 LEU HG H 1 1.725 0.020 . 1 . . . A 42 LEU HG . 18951 1 503 . 1 1 42 42 LEU HD11 H 1 0.827 0.020 . 2 . . . A 42 LEU HD11 . 18951 1 504 . 1 1 42 42 LEU HD12 H 1 0.827 0.020 . 2 . . . A 42 LEU HD12 . 18951 1 505 . 1 1 42 42 LEU HD13 H 1 0.827 0.020 . 2 . . . A 42 LEU HD13 . 18951 1 506 . 1 1 42 42 LEU HD21 H 1 0.848 0.020 . 2 . . . A 42 LEU HD21 . 18951 1 507 . 1 1 42 42 LEU HD22 H 1 0.848 0.020 . 2 . . . A 42 LEU HD22 . 18951 1 508 . 1 1 42 42 LEU HD23 H 1 0.848 0.020 . 2 . . . A 42 LEU HD23 . 18951 1 509 . 1 1 42 42 LEU CA C 13 30.690 0.400 . 1 . . . A 42 LEU CA . 18951 1 510 . 1 1 42 42 LEU CB C 13 42.780 0.400 . 1 . . . A 42 LEU CB . 18951 1 511 . 1 1 42 42 LEU CG C 13 27.470 0.400 . 1 . . . A 42 LEU CG . 18951 1 512 . 1 1 42 42 LEU CD1 C 13 51.695 0.400 . 1 . . . A 42 LEU CD1 . 18951 1 513 . 1 1 42 42 LEU CD2 C 13 49.295 0.400 . 1 . . . A 42 LEU CD2 . 18951 1 514 . 1 1 42 42 LEU N N 15 119.831 0.400 . 1 . . . A 42 LEU N . 18951 1 515 . 1 1 43 43 LEU H H 1 8.476 0.020 . 1 . . . A 43 LEU H . 18951 1 516 . 1 1 43 43 LEU HA H 1 3.870 0.020 . 1 . . . A 43 LEU HA . 18951 1 517 . 1 1 43 43 LEU HB2 H 1 1.452 0.020 . 2 . . . A 43 LEU HB2 . 18951 1 518 . 1 1 43 43 LEU HB3 H 1 2.118 0.020 . 2 . . . A 43 LEU HB3 . 18951 1 519 . 1 1 43 43 LEU HG H 1 1.740 0.020 . 1 . . . A 43 LEU HG . 18951 1 520 . 1 1 43 43 LEU HD11 H 1 1.199 0.020 . 2 . . . A 43 LEU HD11 . 18951 1 521 . 1 1 43 43 LEU HD12 H 1 1.199 0.020 . 2 . . . A 43 LEU HD12 . 18951 1 522 . 1 1 43 43 LEU HD13 H 1 1.199 0.020 . 2 . . . A 43 LEU HD13 . 18951 1 523 . 1 1 43 43 LEU HD21 H 1 1.014 0.020 . 2 . . . A 43 LEU HD21 . 18951 1 524 . 1 1 43 43 LEU HD22 H 1 1.014 0.020 . 2 . . . A 43 LEU HD22 . 18951 1 525 . 1 1 43 43 LEU HD23 H 1 1.014 0.020 . 2 . . . A 43 LEU HD23 . 18951 1 526 . 1 1 43 43 LEU CA C 13 31.635 0.400 . 1 . . . A 43 LEU CA . 18951 1 527 . 1 1 43 43 LEU CB C 13 43.324 0.400 . 1 . . . A 43 LEU CB . 18951 1 528 . 1 1 43 43 LEU CG C 13 26.700 0.400 . 1 . . . A 43 LEU CG . 18951 1 529 . 1 1 43 43 LEU CD1 C 13 26.890 0.400 . 1 . . . A 43 LEU CD1 . 18951 1 530 . 1 1 43 43 LEU CD2 C 13 49.915 0.400 . 1 . . . A 43 LEU CD2 . 18951 1 531 . 1 1 43 43 LEU N N 15 121.439 0.400 . 1 . . . A 43 LEU N . 18951 1 532 . 1 1 44 44 ALA H H 1 7.871 0.020 . 1 . . . A 44 ALA H . 18951 1 533 . 1 1 44 44 ALA HA H 1 3.921 0.020 . 1 . . . A 44 ALA HA . 18951 1 534 . 1 1 44 44 ALA HB1 H 1 1.295 0.020 . 1 . . . A 44 ALA HB1 . 18951 1 535 . 1 1 44 44 ALA HB2 H 1 1.295 0.020 . 1 . . . A 44 ALA HB2 . 18951 1 536 . 1 1 44 44 ALA HB3 H 1 1.295 0.020 . 1 . . . A 44 ALA HB3 . 18951 1 537 . 1 1 44 44 ALA CA C 13 26.718 0.400 . 1 . . . A 44 ALA CA . 18951 1 538 . 1 1 44 44 ALA CB C 13 42.811 0.400 . 1 . . . A 44 ALA CB . 18951 1 539 . 1 1 44 44 ALA N N 15 118.277 0.400 . 1 . . . A 44 ALA N . 18951 1 540 . 1 1 45 45 LYS H H 1 8.864 0.020 . 1 . . . A 45 LYS H . 18951 1 541 . 1 1 45 45 LYS HA H 1 4.386 0.020 . 1 . . . A 45 LYS HA . 18951 1 542 . 1 1 45 45 LYS HB2 H 1 1.196 0.020 . 2 . . . A 45 LYS HB2 . 18951 1 543 . 1 1 45 45 LYS HB3 H 1 1.567 0.020 . 2 . . . A 45 LYS HB3 . 18951 1 544 . 1 1 45 45 LYS HG2 H 1 0.731 0.020 . 2 . . . A 45 LYS HG2 . 18951 1 545 . 1 1 45 45 LYS HG3 H 1 1.244 0.020 . 2 . . . A 45 LYS HG3 . 18951 1 546 . 1 1 45 45 LYS HD2 H 1 0.494 0.020 . 2 . . . A 45 LYS HD2 . 18951 1 547 . 1 1 45 45 LYS HD3 H 1 1.041 0.020 . 2 . . . A 45 LYS HD3 . 18951 1 548 . 1 1 45 45 LYS HE2 H 1 1.404 0.020 . 2 . . . A 45 LYS HE2 . 18951 1 549 . 1 1 45 45 LYS HE3 H 1 1.750 0.020 . 2 . . . A 45 LYS HE3 . 18951 1 550 . 1 1 45 45 LYS CA C 13 28.835 0.400 . 1 . . . A 45 LYS CA . 18951 1 551 . 1 1 45 45 LYS CB C 13 34.092 0.400 . 1 . . . A 45 LYS CB . 18951 1 552 . 1 1 45 45 LYS CG C 13 51.311 0.400 . 1 . . . A 45 LYS CG . 18951 1 553 . 1 1 45 45 LYS CD C 13 29.230 0.400 . 1 . . . A 45 LYS CD . 18951 1 554 . 1 1 45 45 LYS CE C 13 41.800 0.400 . 1 . . . A 45 LYS CE . 18951 1 555 . 1 1 45 45 LYS N N 15 122.047 0.400 . 1 . . . A 45 LYS N . 18951 1 556 . 1 1 46 46 GLU H H 1 8.780 0.020 . 1 . . . A 46 GLU H . 18951 1 557 . 1 1 46 46 GLU HA H 1 3.900 0.020 . 1 . . . A 46 GLU HA . 18951 1 558 . 1 1 46 46 GLU HB2 H 1 1.890 0.020 . 2 . . . A 46 GLU HB2 . 18951 1 559 . 1 1 46 46 GLU HB3 H 1 1.966 0.020 . 2 . . . A 46 GLU HB3 . 18951 1 560 . 1 1 46 46 GLU HG2 H 1 2.210 0.020 . 1 . . . A 46 GLU HG2 . 18951 1 561 . 1 1 46 46 GLU HG3 H 1 2.210 0.020 . 1 . . . A 46 GLU HG3 . 18951 1 562 . 1 1 46 46 GLU CA C 13 32.245 0.400 . 1 . . . A 46 GLU CA . 18951 1 563 . 1 1 46 46 GLU CB C 13 29.406 0.400 . 1 . . . A 46 GLU CB . 18951 1 564 . 1 1 46 46 GLU CG C 13 36.100 0.400 . 1 . . . A 46 GLU CG . 18951 1 565 . 1 1 46 46 GLU N N 15 110.362 0.400 . 1 . . . A 46 GLU N . 18951 1 566 . 1 1 47 47 GLY H H 1 8.877 0.020 . 1 . . . A 47 GLY H . 18951 1 567 . 1 1 47 47 GLY CA C 13 45.100 0.400 . 1 . . . A 47 GLY CA . 18951 1 568 . 1 1 47 47 GLY N N 15 112.932 0.400 . 1 . . . A 47 GLY N . 18951 1 stop_ save_