data_15409 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15409 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the cytoplasmic domain of the T cell receptor zeta chain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-30 _Entry.Accession_date 2007-07-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Victor Jaravine . A. . 15409 2 Anastasia Zhuravleva . . . 15409 3 Perttu Permi . . . 15409 4 Ilgis Ibraghimov . . . 15409 5 Vladislav Orekhov . Yu . 15409 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Swedish NMR Centre at Gothenburg University' . 15409 2 . 'NMR Laboratory, Structural Biology and Biophysics Programm, Institute of Biotechnology, University of Helsinki' . 15409 3 . 'Staarbruken University, Mathematical Department' . 15409 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15409 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 15409 '15N chemical shifts' 104 15409 '1H chemical shifts' 104 15409 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-04-08 2007-07-30 update author 'complete entry citation' 15409 1 . . 2008-03-14 2007-07-30 original author 'original release' 15409 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15409 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18311971 _Citation.Full_citation . _Citation.Title 'Hyperdimensional NMR Spectroscopy with Nonlinear Sampling.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 130 _Citation.Journal_issue 12 _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 3927 _Citation.Page_last 3936 _Citation.Year 2008 _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 Victor Jaravine . A. . 15409 1 2 Anastasia Zhuravleva . . . 15409 1 3 Perttu Permi . . . 15409 1 4 Ilgis Ibraghimov . . . 15409 1 5 Vladislav Orekhov . . . 15409 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15409 _Assembly.ID 1 _Assembly.Name zeta _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13157 _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 'subunit 1' 1 $T-cell_receptor_zeta-chain A . yes unfolded no no . . . 15409 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T-cell_receptor_zeta-chain _Entity.Sf_category entity _Entity.Sf_framecode T-cell_receptor_zeta-chain _Entity.Entry_ID 15409 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T-cell_receptor_zeta-chain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSLRVKFSRSADAPAYQQGQ NQLYNELNLGRREEYDVLDK RRGRDPEMGGKPRRKNPQEG LYNELQKDKMAEAYSEIGMK GERRRGKGHDGLYQGLSTAT KDTYDALHMQALPPR ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 DBJ BAC87407 . "unnamed protein product [Homo sapiens]" . . . . . 53.91 322 98.39 98.39 1.04e-30 . . . . 15409 1 2 no DBJ BAD97045 . "T-cell receptor zeta chain isoform 2 precursor variant [Homo sapiens]" . . . . . 98.26 163 99.12 100.00 3.31e-74 . . . . 15409 1 3 no DBJ BAG36664 . "unnamed protein product [Homo sapiens]" . . . . . 98.26 163 100.00 100.00 1.17e-74 . . . . 15409 1 4 no DBJ BAJ20574 . "CD247 molecule [synthetic construct]" . . . . . 99.13 164 99.12 99.12 6.99e-73 . . . . 15409 1 5 no GB AAA60394 . "T-cell receptor zeta chain [Homo sapiens]" . . . . . 98.26 163 98.23 99.12 4.52e-73 . . . . 15409 1 6 no GB AAD34640 . "CD3 zeta chain [Sus scrofa]" . . . . . 98.26 163 100.00 100.00 1.17e-74 . . . . 15409 1 7 no GB AAF34793 . "T-cell receptor zeta chain precursor [Homo sapiens]" . . . . . 98.26 148 100.00 100.00 3.05e-74 . . . . 15409 1 8 no GB AAH25703 . "CD247 molecule [Homo sapiens]" . . . . . 99.13 164 99.12 99.12 6.99e-73 . . . . 15409 1 9 no GB AAY57330 . "CD3Z antigen, zeta polypeptide (TiT3 complex) [Homo sapiens]" . . . . . 99.13 164 99.12 99.12 6.99e-73 . . . . 15409 1 10 no REF NP_000725 . "T-cell surface glycoprotein CD3 zeta chain isoform 2 precursor [Homo sapiens]" . . . . . 98.26 163 100.00 100.00 1.17e-74 . . . . 15409 1 11 no REF NP_932170 . "T-cell surface glycoprotein CD3 zeta chain isoform 1 precursor [Homo sapiens]" . . . . . 99.13 164 99.12 99.12 6.99e-73 . . . . 15409 1 12 no REF XP_001174731 . "PREDICTED: T-cell surface glycoprotein CD3 zeta chain isoform X1 [Pan troglodytes]" . . . . . 99.13 164 99.12 99.12 6.99e-73 . . . . 15409 1 13 no REF XP_003258862 . "PREDICTED: T-cell surface glycoprotein CD3 zeta chain isoform X2 [Nomascus leucogenys]" . . . . . 99.13 164 98.25 98.25 3.43e-72 . . . . 15409 1 14 no REF XP_003824647 . "PREDICTED: T-cell surface glycoprotein CD3 zeta chain isoform X1 [Pan paniscus]" . . . . . 99.13 164 99.12 99.12 6.99e-73 . . . . 15409 1 15 no SP P20963 . "RecName: Full=T-cell surface glycoprotein CD3 zeta chain; AltName: Full=T-cell receptor T3 zeta chain; AltName: CD_antigen=CD24" . . . . . 99.13 164 99.12 99.12 6.99e-73 . . . . 15409 1 16 no SP Q9XSJ9 . "RecName: Full=T-cell surface glycoprotein CD3 zeta chain; AltName: Full=T-cell receptor T3 zeta chain; AltName: CD_antigen=CD24" . . . . . 98.26 163 100.00 100.00 1.17e-74 . . . . 15409 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 . 15409 1 2 . SER . 15409 1 3 . LEU . 15409 1 4 . ARG . 15409 1 5 . VAL . 15409 1 6 . LYS . 15409 1 7 . PHE . 15409 1 8 . SER . 15409 1 9 . ARG . 15409 1 10 . SER . 15409 1 11 . ALA . 15409 1 12 . ASP . 15409 1 13 . ALA . 15409 1 14 . PRO . 15409 1 15 . ALA . 15409 1 16 . TYR . 15409 1 17 . GLN . 15409 1 18 . GLN . 15409 1 19 . GLY . 15409 1 20 . GLN . 15409 1 21 . ASN . 15409 1 22 . GLN . 15409 1 23 . LEU . 15409 1 24 . TYR . 15409 1 25 . ASN . 15409 1 26 . GLU . 15409 1 27 . LEU . 15409 1 28 . ASN . 15409 1 29 . LEU . 15409 1 30 . GLY . 15409 1 31 . ARG . 15409 1 32 . ARG . 15409 1 33 . GLU . 15409 1 34 . GLU . 15409 1 35 . TYR . 15409 1 36 . ASP . 15409 1 37 . VAL . 15409 1 38 . LEU . 15409 1 39 . ASP . 15409 1 40 . LYS . 15409 1 41 . ARG . 15409 1 42 . ARG . 15409 1 43 . GLY . 15409 1 44 . ARG . 15409 1 45 . ASP . 15409 1 46 . PRO . 15409 1 47 . GLU . 15409 1 48 . MET . 15409 1 49 . GLY . 15409 1 50 . GLY . 15409 1 51 . LYS . 15409 1 52 . PRO . 15409 1 53 . ARG . 15409 1 54 . ARG . 15409 1 55 . LYS . 15409 1 56 . ASN . 15409 1 57 . PRO . 15409 1 58 . GLN . 15409 1 59 . GLU . 15409 1 60 . GLY . 15409 1 61 . LEU . 15409 1 62 . TYR . 15409 1 63 . ASN . 15409 1 64 . GLU . 15409 1 65 . LEU . 15409 1 66 . GLN . 15409 1 67 . LYS . 15409 1 68 . ASP . 15409 1 69 . LYS . 15409 1 70 . MET . 15409 1 71 . ALA . 15409 1 72 . GLU . 15409 1 73 . ALA . 15409 1 74 . TYR . 15409 1 75 . SER . 15409 1 76 . GLU . 15409 1 77 . ILE . 15409 1 78 . GLY . 15409 1 79 . MET . 15409 1 80 . LYS . 15409 1 81 . GLY . 15409 1 82 . GLU . 15409 1 83 . ARG . 15409 1 84 . ARG . 15409 1 85 . ARG . 15409 1 86 . GLY . 15409 1 87 . LYS . 15409 1 88 . GLY . 15409 1 89 . HIS . 15409 1 90 . ASP . 15409 1 91 . GLY . 15409 1 92 . LEU . 15409 1 93 . TYR . 15409 1 94 . GLN . 15409 1 95 . GLY . 15409 1 96 . LEU . 15409 1 97 . SER . 15409 1 98 . THR . 15409 1 99 . ALA . 15409 1 100 . THR . 15409 1 101 . LYS . 15409 1 102 . ASP . 15409 1 103 . THR . 15409 1 104 . TYR . 15409 1 105 . ASP . 15409 1 106 . ALA . 15409 1 107 . LEU . 15409 1 108 . HIS . 15409 1 109 . MET . 15409 1 110 . GLN . 15409 1 111 . ALA . 15409 1 112 . LEU . 15409 1 113 . PRO . 15409 1 114 . PRO . 15409 1 115 . ARG . 15409 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 15409 1 . SER 2 2 15409 1 . LEU 3 3 15409 1 . ARG 4 4 15409 1 . VAL 5 5 15409 1 . LYS 6 6 15409 1 . PHE 7 7 15409 1 . SER 8 8 15409 1 . ARG 9 9 15409 1 . SER 10 10 15409 1 . ALA 11 11 15409 1 . ASP 12 12 15409 1 . ALA 13 13 15409 1 . PRO 14 14 15409 1 . ALA 15 15 15409 1 . TYR 16 16 15409 1 . GLN 17 17 15409 1 . GLN 18 18 15409 1 . GLY 19 19 15409 1 . GLN 20 20 15409 1 . ASN 21 21 15409 1 . GLN 22 22 15409 1 . LEU 23 23 15409 1 . TYR 24 24 15409 1 . ASN 25 25 15409 1 . GLU 26 26 15409 1 . LEU 27 27 15409 1 . ASN 28 28 15409 1 . LEU 29 29 15409 1 . GLY 30 30 15409 1 . ARG 31 31 15409 1 . ARG 32 32 15409 1 . GLU 33 33 15409 1 . GLU 34 34 15409 1 . TYR 35 35 15409 1 . ASP 36 36 15409 1 . VAL 37 37 15409 1 . LEU 38 38 15409 1 . ASP 39 39 15409 1 . LYS 40 40 15409 1 . ARG 41 41 15409 1 . ARG 42 42 15409 1 . GLY 43 43 15409 1 . ARG 44 44 15409 1 . ASP 45 45 15409 1 . PRO 46 46 15409 1 . GLU 47 47 15409 1 . MET 48 48 15409 1 . GLY 49 49 15409 1 . GLY 50 50 15409 1 . LYS 51 51 15409 1 . PRO 52 52 15409 1 . ARG 53 53 15409 1 . ARG 54 54 15409 1 . LYS 55 55 15409 1 . ASN 56 56 15409 1 . PRO 57 57 15409 1 . GLN 58 58 15409 1 . GLU 59 59 15409 1 . GLY 60 60 15409 1 . LEU 61 61 15409 1 . TYR 62 62 15409 1 . ASN 63 63 15409 1 . GLU 64 64 15409 1 . LEU 65 65 15409 1 . GLN 66 66 15409 1 . LYS 67 67 15409 1 . ASP 68 68 15409 1 . LYS 69 69 15409 1 . MET 70 70 15409 1 . ALA 71 71 15409 1 . GLU 72 72 15409 1 . ALA 73 73 15409 1 . TYR 74 74 15409 1 . SER 75 75 15409 1 . GLU 76 76 15409 1 . ILE 77 77 15409 1 . GLY 78 78 15409 1 . MET 79 79 15409 1 . LYS 80 80 15409 1 . GLY 81 81 15409 1 . GLU 82 82 15409 1 . ARG 83 83 15409 1 . ARG 84 84 15409 1 . ARG 85 85 15409 1 . GLY 86 86 15409 1 . LYS 87 87 15409 1 . GLY 88 88 15409 1 . HIS 89 89 15409 1 . ASP 90 90 15409 1 . GLY 91 91 15409 1 . LEU 92 92 15409 1 . TYR 93 93 15409 1 . GLN 94 94 15409 1 . GLY 95 95 15409 1 . LEU 96 96 15409 1 . SER 97 97 15409 1 . THR 98 98 15409 1 . ALA 99 99 15409 1 . THR 100 100 15409 1 . LYS 101 101 15409 1 . ASP 102 102 15409 1 . THR 103 103 15409 1 . TYR 104 104 15409 1 . ASP 105 105 15409 1 . ALA 106 106 15409 1 . LEU 107 107 15409 1 . HIS 108 108 15409 1 . MET 109 109 15409 1 . GLN 110 110 15409 1 . ALA 111 111 15409 1 . LEU 112 112 15409 1 . PRO 113 113 15409 1 . PRO 114 114 15409 1 . ARG 115 115 15409 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 15409 _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 $T-cell_receptor_zeta-chain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15409 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 15409 _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 $T-cell_receptor_zeta-chain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET32a(+) . . . . . . 15409 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15409 _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 'T-cell receptor zeta-chain' '[U-13C; U-15N]' . . 1 $T-cell_receptor_zeta-chain . . 0.5 . . mM . . . . 15409 1 2 H2O . . . . . . . 90 . . % . . . . 15409 1 3 D2O . . . . . . . 10 . . % . . . . 15409 1 4 'Phosphate buffer' . . . . . . . 20 . . mM . . . . 15409 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15409 _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 'ionic strength' 0.02 . M 15409 1 pH 6.7 0.05 pH 15409 1 pressure 1 . atm 15409 1 temperature 288 0.5 K 15409 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15409 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.6 _Software.Details 'Rev 2006.303.16.07' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15409 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15409 1 processing 15409 1 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 15409 _Software.ID 2 _Software.Name AutoAssign _Software.Version 2.3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638, USA ; . 15409 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15409 2 stop_ save_ save_MDD _Software.Sf_category software _Software.Sf_framecode MDD _Software.Entry_ID 15409 _Software.ID 3 _Software.Name MDD _Software.Version 1.3 _Software.Details 'Recursive MDD was applied to all data in the experimental set using Hyperdimensional Processing approach, as described in the associated paper.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDnmr) V.Orekhov, V.Jaravine' ; The Swedish NMR Centre at Goteborg University, Box 465, SE-405 30 Goteborg, Sweden ; . 15409 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15409 3 processing 15409 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 15409 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cold pulsed-gradient gradient triple resonance probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15409 _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 . 900 'cold pulsed-gradient gradient triple resonance probe' . . 15409 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 15409 _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 HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15409 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15409 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15409 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15409 1 5 '3D iHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15409 1 6 '3D iHN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15409 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 15409 _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 water protons . . . . ppm 4.858 internal indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 15409 1 H 1 water protons . . . . ppm 4.858 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 15409 1 N 15 water protons . . . . ppm 4.858 internal indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 15409 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 15409 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 HNCO' . . . 15409 1 2 '3D HN(CO)CA' . . . 15409 1 3 '3D CBCA(CO)NH' . . . 15409 1 4 '3D HN(CA)CO' . . . 15409 1 5 '3D iHNCA' . . . 15409 1 6 '3D iHN(CA)CB' . . . 15409 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 2 2 SER C C 13 174.41 0.10 . 1 . . . . 2 SER C . 15409 1 2 . 1 1 2 2 SER CA C 13 58.19 0.10 . 1 . . . . 2 SER CA . 15409 1 3 . 1 1 2 2 SER CB C 13 64.01 0.10 . 1 . . . . 2 SER CB . 15409 1 4 . 1 1 3 3 LEU H H 1 8.46 0.01 . 1 . . . . 3 LEU H . 15409 1 5 . 1 1 3 3 LEU C C 13 177.21 0.10 . 1 . . . . 3 LEU C . 15409 1 6 . 1 1 3 3 LEU CA C 13 55.28 0.10 . 1 . . . . 3 LEU CA . 15409 1 7 . 1 1 3 3 LEU CB C 13 42.41 0.10 . 1 . . . . 3 LEU CB . 15409 1 8 . 1 1 3 3 LEU N N 15 124.59 0.10 . 1 . . . . 3 LEU N . 15409 1 9 . 1 1 4 4 ARG H H 1 8.43 0.01 . 1 . . . . 4 ARG H . 15409 1 10 . 1 1 4 4 ARG C C 13 176.09 0.10 . 1 . . . . 4 ARG C . 15409 1 11 . 1 1 4 4 ARG CA C 13 56.01 0.10 . 1 . . . . 4 ARG CA . 15409 1 12 . 1 1 4 4 ARG CB C 13 30.70 0.10 . 1 . . . . 4 ARG CB . 15409 1 13 . 1 1 4 4 ARG N N 15 123.01 0.10 . 1 . . . . 4 ARG N . 15409 1 14 . 1 1 5 5 VAL H H 1 8.15 0.01 . 1 . . . . 5 VAL H . 15409 1 15 . 1 1 5 5 VAL C C 13 175.80 0.10 . 1 . . . . 5 VAL C . 15409 1 16 . 1 1 5 5 VAL CA C 13 62.15 0.10 . 1 . . . . 5 VAL CA . 15409 1 17 . 1 1 5 5 VAL CB C 13 32.95 0.10 . 1 . . . . 5 VAL CB . 15409 1 18 . 1 1 5 5 VAL N N 15 121.96 0.10 . 1 . . . . 5 VAL N . 15409 1 19 . 1 1 6 6 LYS H H 1 8.35 0.01 . 1 . . . . 6 LYS H . 15409 1 20 . 1 1 6 6 LYS C C 13 175.96 0.10 . 1 . . . . 6 LYS C . 15409 1 21 . 1 1 6 6 LYS CA C 13 56.29 0.10 . 1 . . . . 6 LYS CA . 15409 1 22 . 1 1 6 6 LYS CB C 13 33.27 0.10 . 1 . . . . 6 LYS CB . 15409 1 23 . 1 1 6 6 LYS N N 15 125.25 0.10 . 1 . . . . 6 LYS N . 15409 1 24 . 1 1 7 7 PHE H H 1 8.32 0.01 . 1 . . . . 7 PHE H . 15409 1 25 . 1 1 7 7 PHE C C 13 175.50 0.10 . 1 . . . . 7 PHE C . 15409 1 26 . 1 1 7 7 PHE CA C 13 57.60 0.10 . 1 . . . . 7 PHE CA . 15409 1 27 . 1 1 7 7 PHE CB C 13 39.81 0.10 . 1 . . . . 7 PHE CB . 15409 1 28 . 1 1 7 7 PHE N N 15 122.07 0.10 . 1 . . . . 7 PHE N . 15409 1 29 . 1 1 8 8 SER H H 1 8.26 0.01 . 1 . . . . 8 SER H . 15409 1 30 . 1 1 8 8 SER C C 13 174.00 0.10 . 1 . . . . 8 SER C . 15409 1 31 . 1 1 8 8 SER CA C 13 57.95 0.10 . 1 . . . . 8 SER CA . 15409 1 32 . 1 1 8 8 SER CB C 13 64.01 0.10 . 1 . . . . 8 SER CB . 15409 1 33 . 1 1 8 8 SER N N 15 118.10 0.10 . 1 . . . . 8 SER N . 15409 1 34 . 1 1 9 9 ARG H H 1 8.44 0.01 . 1 . . . . 9 ARG H . 15409 1 35 . 1 1 9 9 ARG C C 13 176.36 0.10 . 1 . . . . 9 ARG C . 15409 1 36 . 1 1 9 9 ARG CA C 13 56.06 0.10 . 1 . . . . 9 ARG CA . 15409 1 37 . 1 1 9 9 ARG CB C 13 30.88 0.10 . 1 . . . . 9 ARG CB . 15409 1 38 . 1 1 9 9 ARG N N 15 123.30 0.10 . 1 . . . . 9 ARG N . 15409 1 39 . 1 1 10 10 SER H H 1 8.43 0.01 . 1 . . . . 10 SER H . 15409 1 40 . 1 1 10 10 SER C C 13 174.61 0.10 . 1 . . . . 10 SER C . 15409 1 41 . 1 1 10 10 SER CA C 13 58.59 0.10 . 1 . . . . 10 SER CA . 15409 1 42 . 1 1 10 10 SER CB C 13 63.73 0.10 . 1 . . . . 10 SER CB . 15409 1 43 . 1 1 10 10 SER N N 15 117.71 0.10 . 1 . . . . 10 SER N . 15409 1 44 . 1 1 11 11 ALA H H 1 8.44 0.01 . 1 . . . . 11 ALA H . 15409 1 45 . 1 1 11 11 ALA C C 13 177.39 0.10 . 1 . . . . 11 ALA C . 15409 1 46 . 1 1 11 11 ALA CA C 13 52.86 0.10 . 1 . . . . 11 ALA CA . 15409 1 47 . 1 1 11 11 ALA CB C 13 19.11 0.10 . 1 . . . . 11 ALA CB . 15409 1 48 . 1 1 11 11 ALA N N 15 125.74 0.10 . 1 . . . . 11 ALA N . 15409 1 49 . 1 1 12 12 ASP H H 1 8.15 0.01 . 1 . . . . 12 ASP H . 15409 1 50 . 1 1 12 12 ASP C C 13 175.53 0.10 . 1 . . . . 12 ASP C . 15409 1 51 . 1 1 12 12 ASP CA C 13 54.10 0.10 . 1 . . . . 12 ASP CA . 15409 1 52 . 1 1 12 12 ASP CB C 13 41.11 0.10 . 1 . . . . 12 ASP CB . 15409 1 53 . 1 1 12 12 ASP N N 15 118.51 0.10 . 1 . . . . 12 ASP N . 15409 1 54 . 1 1 13 13 ALA H H 1 7.99 0.01 . 1 . . . . 13 ALA H . 15409 1 55 . 1 1 13 13 ALA C C 13 175.33 0.10 . 1 . . . . 13 ALA C . 15409 1 56 . 1 1 13 13 ALA CA C 13 50.69 0.10 . 1 . . . . 13 ALA CA . 15409 1 57 . 1 1 13 13 ALA CB C 13 18.19 0.10 . 1 . . . . 13 ALA CB . 15409 1 58 . 1 1 13 13 ALA N N 15 124.95 0.10 . 1 . . . . 13 ALA N . 15409 1 59 . 1 1 14 14 PRO C C 13 176.73 0.10 . 1 . . . . 14 PRO C . 15409 1 60 . 1 1 14 14 PRO CA C 13 63.10 0.10 . 1 . . . . 14 PRO CA . 15409 1 61 . 1 1 14 14 PRO CB C 13 32.05 0.10 . 1 . . . . 14 PRO CB . 15409 1 62 . 1 1 15 15 ALA H H 1 8.38 0.01 . 1 . . . . 15 ALA H . 15409 1 63 . 1 1 15 15 ALA C C 13 177.69 0.10 . 1 . . . . 15 ALA C . 15409 1 64 . 1 1 15 15 ALA CA C 13 52.65 0.10 . 1 . . . . 15 ALA CA . 15409 1 65 . 1 1 15 15 ALA CB C 13 19.08 0.10 . 1 . . . . 15 ALA CB . 15409 1 66 . 1 1 15 15 ALA N N 15 123.74 0.10 . 1 . . . . 15 ALA N . 15409 1 67 . 1 1 16 16 TYR H H 1 8.06 0.01 . 1 . . . . 16 TYR H . 15409 1 68 . 1 1 16 16 TYR C C 13 175.81 0.10 . 1 . . . . 16 TYR C . 15409 1 69 . 1 1 16 16 TYR CA C 13 57.98 0.10 . 1 . . . . 16 TYR CA . 15409 1 70 . 1 1 16 16 TYR CB C 13 38.71 0.10 . 1 . . . . 16 TYR CB . 15409 1 71 . 1 1 16 16 TYR N N 15 118.93 0.10 . 1 . . . . 16 TYR N . 15409 1 72 . 1 1 17 17 GLN H H 1 8.16 0.01 . 1 . . . . 17 GLN H . 15409 1 73 . 1 1 17 17 GLN C C 13 175.53 0.10 . 1 . . . . 17 GLN C . 15409 1 74 . 1 1 17 17 GLN CA C 13 55.60 0.10 . 1 . . . . 17 GLN CA . 15409 1 75 . 1 1 17 17 GLN CB C 13 29.58 0.10 . 1 . . . . 17 GLN CB . 15409 1 76 . 1 1 17 17 GLN N N 15 122.36 0.10 . 1 . . . . 17 GLN N . 15409 1 77 . 1 1 18 18 GLN H H 1 8.36 0.01 . 1 . . . . 18 GLN H . 15409 1 78 . 1 1 18 18 GLN C C 13 176.66 0.10 . 1 . . . . 18 GLN C . 15409 1 79 . 1 1 18 18 GLN CA C 13 56.45 0.10 . 1 . . . . 18 GLN CA . 15409 1 80 . 1 1 18 18 GLN CB C 13 29.21 0.10 . 1 . . . . 18 GLN CB . 15409 1 81 . 1 1 18 18 GLN N N 15 121.66 0.10 . 1 . . . . 18 GLN N . 15409 1 82 . 1 1 19 19 GLY H H 1 8.51 0.01 . 1 . . . . 19 GLY H . 15409 1 83 . 1 1 19 19 GLY C C 13 174.37 0.10 . 1 . . . . 19 GLY C . 15409 1 84 . 1 1 19 19 GLY CA C 13 45.45 0.10 . 1 . . . . 19 GLY CA . 15409 1 85 . 1 1 19 19 GLY N N 15 110.31 0.10 . 1 . . . . 19 GLY N . 15409 1 86 . 1 1 20 20 GLN H H 1 8.25 0.01 . 1 . . . . 20 GLN H . 15409 1 87 . 1 1 20 20 GLN C C 13 175.98 0.10 . 1 . . . . 20 GLN C . 15409 1 88 . 1 1 20 20 GLN CA C 13 56.04 0.10 . 1 . . . . 20 GLN CA . 15409 1 89 . 1 1 20 20 GLN CB C 13 29.34 0.10 . 1 . . . . 20 GLN CB . 15409 1 90 . 1 1 20 20 GLN N N 15 119.67 0.10 . 1 . . . . 20 GLN N . 15409 1 91 . 1 1 21 21 ASN H H 1 8.52 0.01 . 1 . . . . 21 ASN H . 15409 1 92 . 1 1 21 21 ASN C C 13 175.26 0.10 . 1 . . . . 21 ASN C . 15409 1 93 . 1 1 21 21 ASN CA C 13 53.61 0.10 . 1 . . . . 21 ASN CA . 15409 1 94 . 1 1 21 21 ASN CB C 13 38.71 0.10 . 1 . . . . 21 ASN CB . 15409 1 95 . 1 1 21 21 ASN N N 15 119.37 0.10 . 1 . . . . 21 ASN N . 15409 1 96 . 1 1 22 22 GLN C C 13 175.94 0.10 . 1 . . . . 22 GLN C . 15409 1 97 . 1 1 22 22 GLN CA C 13 56.31 0.10 . 1 . . . . 22 GLN CA . 15409 1 98 . 1 1 22 22 GLN CB C 13 29.20 0.10 . 1 . . . . 22 GLN CB . 15409 1 99 . 1 1 23 23 LEU H H 1 8.17 0.01 . 1 . . . . 23 LEU H . 15409 1 100 . 1 1 23 23 LEU C C 13 177.28 0.10 . 1 . . . . 23 LEU C . 15409 1 101 . 1 1 23 23 LEU CA C 13 55.59 0.10 . 1 . . . . 23 LEU CA . 15409 1 102 . 1 1 23 23 LEU CB C 13 42.23 0.10 . 1 . . . . 23 LEU CB . 15409 1 103 . 1 1 23 23 LEU N N 15 122.29 0.10 . 1 . . . . 23 LEU N . 15409 1 104 . 1 1 24 24 TYR H H 1 8.10 0.01 . 1 . . . . 24 TYR H . 15409 1 105 . 1 1 24 24 TYR C C 13 175.75 0.10 . 1 . . . . 24 TYR C . 15409 1 106 . 1 1 24 24 TYR CA C 13 58.22 0.10 . 1 . . . . 24 TYR CA . 15409 1 107 . 1 1 24 24 TYR CB C 13 38.60 0.10 . 1 . . . . 24 TYR CB . 15409 1 108 . 1 1 24 24 TYR N N 15 119.97 0.10 . 1 . . . . 24 TYR N . 15409 1 109 . 1 1 25 25 ASN H H 1 8.22 0.01 . 1 . . . . 25 ASN H . 15409 1 110 . 1 1 25 25 ASN C C 13 175.35 0.10 . 1 . . . . 25 ASN C . 15409 1 111 . 1 1 25 25 ASN CA C 13 53.45 0.10 . 1 . . . . 25 ASN CA . 15409 1 112 . 1 1 25 25 ASN CB C 13 38.96 0.10 . 1 . . . . 25 ASN CB . 15409 1 113 . 1 1 25 25 ASN N N 15 120.26 0.10 . 1 . . . . 25 ASN N . 15409 1 114 . 1 1 26 26 GLU H H 1 8.42 0.01 . 1 . . . . 26 GLU H . 15409 1 115 . 1 1 26 26 GLU C C 13 176.84 0.10 . 1 . . . . 26 GLU C . 15409 1 116 . 1 1 26 26 GLU CA C 13 57.33 0.10 . 1 . . . . 26 GLU CA . 15409 1 117 . 1 1 26 26 GLU CB C 13 30.01 0.10 . 1 . . . . 26 GLU CB . 15409 1 118 . 1 1 26 26 GLU N N 15 121.20 0.10 . 1 . . . . 26 GLU N . 15409 1 119 . 1 1 27 27 LEU H H 1 8.14 0.01 . 1 . . . . 27 LEU H . 15409 1 120 . 1 1 27 27 LEU C C 13 177.34 0.10 . 1 . . . . 27 LEU C . 15409 1 121 . 1 1 27 27 LEU CA C 13 55.64 0.10 . 1 . . . . 27 LEU CA . 15409 1 122 . 1 1 27 27 LEU CB C 13 42.16 0.10 . 1 . . . . 27 LEU CB . 15409 1 123 . 1 1 27 27 LEU N N 15 121.38 0.10 . 1 . . . . 27 LEU N . 15409 1 124 . 1 1 28 28 ASN H H 1 8.28 0.01 . 1 . . . . 28 ASN H . 15409 1 125 . 1 1 28 28 ASN C C 13 175.35 0.10 . 1 . . . . 28 ASN C . 15409 1 126 . 1 1 28 28 ASN CA C 13 53.38 0.10 . 1 . . . . 28 ASN CA . 15409 1 127 . 1 1 28 28 ASN CB C 13 38.60 0.10 . 1 . . . . 28 ASN CB . 15409 1 128 . 1 1 28 28 ASN N N 15 118.40 0.10 . 1 . . . . 28 ASN N . 15409 1 129 . 1 1 29 29 LEU H H 1 8.17 0.01 . 1 . . . . 29 LEU H . 15409 1 130 . 1 1 29 29 LEU C C 13 178.04 0.10 . 1 . . . . 29 LEU C . 15409 1 131 . 1 1 29 29 LEU CA C 13 55.67 0.10 . 1 . . . . 29 LEU CA . 15409 1 132 . 1 1 29 29 LEU CB C 13 42.10 0.10 . 1 . . . . 29 LEU CB . 15409 1 133 . 1 1 29 29 LEU N N 15 121.87 0.10 . 1 . . . . 29 LEU N . 15409 1 134 . 1 1 30 30 GLY H H 1 8.38 0.01 . 1 . . . . 30 GLY H . 15409 1 135 . 1 1 30 30 GLY C C 13 174.04 0.10 . 1 . . . . 30 GLY C . 15409 1 136 . 1 1 30 30 GLY CA C 13 45.39 0.10 . 1 . . . . 30 GLY CA . 15409 1 137 . 1 1 30 30 GLY N N 15 108.76 0.10 . 1 . . . . 30 GLY N . 15409 1 138 . 1 1 31 31 ARG H H 1 8.08 0.01 . 1 . . . . 31 ARG H . 15409 1 139 . 1 1 31 31 ARG C C 13 176.35 0.10 . 1 . . . . 31 ARG C . 15409 1 140 . 1 1 31 31 ARG CA C 13 56.06 0.10 . 1 . . . . 31 ARG CA . 15409 1 141 . 1 1 31 31 ARG CB C 13 30.84 0.10 . 1 . . . . 31 ARG CB . 15409 1 142 . 1 1 31 31 ARG N N 15 120.54 0.10 . 1 . . . . 31 ARG N . 15409 1 143 . 1 1 32 32 ARG H H 1 8.47 0.01 . 1 . . . . 32 ARG H . 15409 1 144 . 1 1 32 32 ARG C C 13 176.39 0.10 . 1 . . . . 32 ARG C . 15409 1 145 . 1 1 32 32 ARG CA C 13 56.35 0.10 . 1 . . . . 32 ARG CA . 15409 1 146 . 1 1 32 32 ARG CB C 13 30.77 0.10 . 1 . . . . 32 ARG CB . 15409 1 147 . 1 1 32 32 ARG N N 15 123.04 0.10 . 1 . . . . 32 ARG N . 15409 1 148 . 1 1 33 33 GLU H H 1 8.61 0.01 . 1 . . . . 33 GLU H . 15409 1 149 . 1 1 33 33 GLU C C 13 176.45 0.10 . 1 . . . . 33 GLU C . 15409 1 150 . 1 1 33 33 GLU CA C 13 56.84 0.10 . 1 . . . . 33 GLU CA . 15409 1 151 . 1 1 33 33 GLU CB C 13 30.09 0.10 . 1 . . . . 33 GLU CB . 15409 1 152 . 1 1 33 33 GLU N N 15 122.05 0.10 . 1 . . . . 33 GLU N . 15409 1 153 . 1 1 34 34 GLU H H 1 8.41 0.01 . 1 . . . . 34 GLU H . 15409 1 154 . 1 1 34 34 GLU C C 13 176.25 0.10 . 1 . . . . 34 GLU C . 15409 1 155 . 1 1 34 34 GLU CA C 13 56.70 0.10 . 1 . . . . 34 GLU CA . 15409 1 156 . 1 1 34 34 GLU CB C 13 30.34 0.10 . 1 . . . . 34 GLU CB . 15409 1 157 . 1 1 34 34 GLU N N 15 121.22 0.10 . 1 . . . . 34 GLU N . 15409 1 158 . 1 1 35 35 TYR H H 1 8.07 0.01 . 1 . . . . 35 TYR H . 15409 1 159 . 1 1 35 35 TYR C C 13 175.57 0.10 . 1 . . . . 35 TYR C . 15409 1 160 . 1 1 35 35 TYR CA C 13 57.89 0.10 . 1 . . . . 35 TYR CA . 15409 1 161 . 1 1 35 35 TYR CB C 13 38.91 0.10 . 1 . . . . 35 TYR CB . 15409 1 162 . 1 1 35 35 TYR N N 15 120.06 0.10 . 1 . . . . 35 TYR N . 15409 1 163 . 1 1 36 36 ASP H H 1 8.39 0.01 . 1 . . . . 36 ASP H . 15409 1 164 . 1 1 36 36 ASP C C 13 176.58 0.10 . 1 . . . . 36 ASP C . 15409 1 165 . 1 1 36 36 ASP CA C 13 54.41 0.10 . 1 . . . . 36 ASP CA . 15409 1 166 . 1 1 36 36 ASP CB C 13 41.45 0.10 . 1 . . . . 36 ASP CB . 15409 1 167 . 1 1 36 36 ASP N N 15 122.10 0.10 . 1 . . . . 36 ASP N . 15409 1 168 . 1 1 37 37 VAL H H 1 8.01 0.01 . 1 . . . . 37 VAL H . 15409 1 169 . 1 1 37 37 VAL C C 13 176.61 0.10 . 1 . . . . 37 VAL C . 15409 1 170 . 1 1 37 37 VAL CA C 13 63.20 0.10 . 1 . . . . 37 VAL CA . 15409 1 171 . 1 1 37 37 VAL CB C 13 32.37 0.10 . 1 . . . . 37 VAL CB . 15409 1 172 . 1 1 37 37 VAL N N 15 120.06 0.10 . 1 . . . . 37 VAL N . 15409 1 173 . 1 1 38 38 LEU H H 1 8.21 0.01 . 1 . . . . 38 LEU H . 15409 1 174 . 1 1 38 38 LEU C C 13 177.45 0.10 . 1 . . . . 38 LEU C . 15409 1 175 . 1 1 38 38 LEU CA C 13 55.69 0.10 . 1 . . . . 38 LEU CA . 15409 1 176 . 1 1 38 38 LEU CB C 13 41.86 0.10 . 1 . . . . 38 LEU CB . 15409 1 177 . 1 1 38 38 LEU N N 15 123.06 0.10 . 1 . . . . 38 LEU N . 15409 1 178 . 1 1 39 39 ASP H H 1 8.11 0.01 . 1 . . . . 39 ASP H . 15409 1 179 . 1 1 39 39 ASP C C 13 176.93 0.10 . 1 . . . . 39 ASP C . 15409 1 180 . 1 1 39 39 ASP CA C 13 54.64 0.10 . 1 . . . . 39 ASP CA . 15409 1 181 . 1 1 39 39 ASP CB C 13 41.25 0.10 . 1 . . . . 39 ASP CB . 15409 1 182 . 1 1 39 39 ASP N N 15 120.61 0.10 . 1 . . . . 39 ASP N . 15409 1 183 . 1 1 40 40 LYS H H 1 8.33 0.01 . 1 . . . . 40 LYS H . 15409 1 184 . 1 1 40 40 LYS C C 13 177.28 0.10 . 1 . . . . 40 LYS C . 15409 1 185 . 1 1 40 40 LYS CA C 13 57.02 0.10 . 1 . . . . 40 LYS CA . 15409 1 186 . 1 1 40 40 LYS CB C 13 32.43 0.10 . 1 . . . . 40 LYS CB . 15409 1 187 . 1 1 40 40 LYS N N 15 122.52 0.10 . 1 . . . . 40 LYS N . 15409 1 188 . 1 1 41 41 ARG H H 1 8.31 0.01 . 1 . . . . 41 ARG H . 15409 1 189 . 1 1 41 41 ARG C C 13 176.80 0.10 . 1 . . . . 41 ARG C . 15409 1 190 . 1 1 41 41 ARG CA C 13 56.83 0.10 . 1 . . . . 41 ARG CA . 15409 1 191 . 1 1 41 41 ARG CB C 13 30.36 0.10 . 1 . . . . 41 ARG CB . 15409 1 192 . 1 1 41 41 ARG N N 15 120.10 0.10 . 1 . . . . 41 ARG N . 15409 1 193 . 1 1 42 42 ARG H H 1 8.11 0.01 . 1 . . . . 42 ARG H . 15409 1 194 . 1 1 42 42 ARG C C 13 176.87 0.10 . 1 . . . . 42 ARG C . 15409 1 195 . 1 1 42 42 ARG CA C 13 56.54 0.10 . 1 . . . . 42 ARG CA . 15409 1 196 . 1 1 42 42 ARG CB C 13 30.63 0.10 . 1 . . . . 42 ARG CB . 15409 1 197 . 1 1 42 42 ARG N N 15 120.69 0.10 . 1 . . . . 42 ARG N . 15409 1 198 . 1 1 43 43 GLY H H 1 8.37 0.01 . 1 . . . . 43 GLY H . 15409 1 199 . 1 1 43 43 GLY C C 13 173.82 0.10 . 1 . . . . 43 GLY C . 15409 1 200 . 1 1 43 43 GLY CA C 13 45.23 0.10 . 1 . . . . 43 GLY CA . 15409 1 201 . 1 1 43 43 GLY N N 15 109.66 0.10 . 1 . . . . 43 GLY N . 15409 1 202 . 1 1 44 44 ARG H H 1 8.14 0.01 . 1 . . . . 44 ARG H . 15409 1 203 . 1 1 44 44 ARG C C 13 175.91 0.10 . 1 . . . . 44 ARG C . 15409 1 204 . 1 1 44 44 ARG CA C 13 55.75 0.10 . 1 . . . . 44 ARG CA . 15409 1 205 . 1 1 44 44 ARG CB C 13 31.10 0.10 . 1 . . . . 44 ARG CB . 15409 1 206 . 1 1 44 44 ARG N N 15 120.11 0.10 . 1 . . . . 44 ARG N . 15409 1 207 . 1 1 45 45 ASP H H 1 8.45 0.01 . 1 . . . . 45 ASP H . 15409 1 208 . 1 1 45 45 ASP C C 13 174.82 0.10 . 1 . . . . 45 ASP C . 15409 1 209 . 1 1 45 45 ASP CA C 13 52.66 0.10 . 1 . . . . 45 ASP CA . 15409 1 210 . 1 1 45 45 ASP CB C 13 40.92 0.10 . 1 . . . . 45 ASP CB . 15409 1 211 . 1 1 45 45 ASP N N 15 123.25 0.10 . 1 . . . . 45 ASP N . 15409 1 212 . 1 1 46 46 PRO C C 13 177.21 0.10 . 1 . . . . 46 PRO C . 15409 1 213 . 1 1 46 46 PRO CA C 13 63.56 0.10 . 1 . . . . 46 PRO CA . 15409 1 214 . 1 1 46 46 PRO CB C 13 32.17 0.10 . 1 . . . . 46 PRO CB . 15409 1 215 . 1 1 47 47 GLU H H 1 8.55 0.01 . 1 . . . . 47 GLU H . 15409 1 216 . 1 1 47 47 GLU C C 13 176.97 0.10 . 1 . . . . 47 GLU C . 15409 1 217 . 1 1 47 47 GLU CA C 13 56.75 0.10 . 1 . . . . 47 GLU CA . 15409 1 218 . 1 1 47 47 GLU CB C 13 29.84 0.10 . 1 . . . . 47 GLU CB . 15409 1 219 . 1 1 47 47 GLU N N 15 120.03 0.10 . 1 . . . . 47 GLU N . 15409 1 220 . 1 1 48 48 MET H H 1 8.30 0.01 . 1 . . . . 48 MET H . 15409 1 221 . 1 1 48 48 MET C C 13 176.98 0.10 . 1 . . . . 48 MET C . 15409 1 222 . 1 1 48 48 MET CA C 13 55.59 0.10 . 1 . . . . 48 MET CA . 15409 1 223 . 1 1 48 48 MET CB C 13 32.65 0.10 . 1 . . . . 48 MET CB . 15409 1 224 . 1 1 48 48 MET N N 15 120.86 0.10 . 1 . . . . 48 MET N . 15409 1 225 . 1 1 49 49 GLY H H 1 8.48 0.01 . 1 . . . . 49 GLY H . 15409 1 226 . 1 1 49 49 GLY C C 13 174.71 0.10 . 1 . . . . 49 GLY C . 15409 1 227 . 1 1 49 49 GLY CA C 13 45.56 0.10 . 1 . . . . 49 GLY CA . 15409 1 228 . 1 1 49 49 GLY N N 15 110.04 0.10 . 1 . . . . 49 GLY N . 15409 1 229 . 1 1 50 50 GLY H H 1 8.28 0.01 . 1 . . . . 50 GLY H . 15409 1 230 . 1 1 50 50 GLY C C 13 173.80 0.10 . 1 . . . . 50 GLY C . 15409 1 231 . 1 1 50 50 GLY CA C 13 45.03 0.10 . 1 . . . . 50 GLY CA . 15409 1 232 . 1 1 50 50 GLY N N 15 108.52 0.10 . 1 . . . . 50 GLY N . 15409 1 233 . 1 1 51 51 LYS H H 1 8.12 0.01 . 1 . . . . 51 LYS H . 15409 1 234 . 1 1 51 51 LYS C C 13 174.45 0.10 . 1 . . . . 51 LYS C . 15409 1 235 . 1 1 51 51 LYS CA C 13 54.24 0.10 . 1 . . . . 51 LYS CA . 15409 1 236 . 1 1 51 51 LYS CB C 13 32.42 0.10 . 1 . . . . 51 LYS CB . 15409 1 237 . 1 1 51 51 LYS N N 15 121.75 0.10 . 1 . . . . 51 LYS N . 15409 1 238 . 1 1 52 52 PRO C C 13 176.81 0.10 . 1 . . . . 52 PRO C . 15409 1 239 . 1 1 52 52 PRO CA C 13 63.05 0.10 . 1 . . . . 52 PRO CA . 15409 1 240 . 1 1 52 52 PRO CB C 13 32.15 0.10 . 1 . . . . 52 PRO CB . 15409 1 241 . 1 1 53 53 ARG H H 1 8.54 0.01 . 1 . . . . 53 ARG H . 15409 1 242 . 1 1 53 53 ARG C C 13 176.30 0.10 . 1 . . . . 53 ARG C . 15409 1 243 . 1 1 53 53 ARG CA C 13 55.96 0.10 . 1 . . . . 53 ARG CA . 15409 1 244 . 1 1 53 53 ARG CB C 13 30.97 0.10 . 1 . . . . 53 ARG CB . 15409 1 245 . 1 1 53 53 ARG N N 15 122.15 0.10 . 1 . . . . 53 ARG N . 15409 1 246 . 1 1 54 54 ARG H H 1 8.45 0.01 . 1 . . . . 54 ARG H . 15409 1 247 . 1 1 54 54 ARG C C 13 176.08 0.10 . 1 . . . . 54 ARG C . 15409 1 248 . 1 1 54 54 ARG CA C 13 55.92 0.10 . 1 . . . . 54 ARG CA . 15409 1 249 . 1 1 54 54 ARG CB C 13 31.02 0.10 . 1 . . . . 54 ARG CB . 15409 1 250 . 1 1 54 54 ARG N N 15 123.10 0.10 . 1 . . . . 54 ARG N . 15409 1 251 . 1 1 55 55 LYS H H 1 8.52 0.01 . 1 . . . . 55 LYS H . 15409 1 252 . 1 1 55 55 LYS C C 13 176.05 0.10 . 1 . . . . 55 LYS C . 15409 1 253 . 1 1 55 55 LYS CA C 13 56.34 0.10 . 1 . . . . 55 LYS CA . 15409 1 254 . 1 1 55 55 LYS CB C 13 33.19 0.10 . 1 . . . . 55 LYS CB . 15409 1 255 . 1 1 55 55 LYS N N 15 123.64 0.10 . 1 . . . . 55 LYS N . 15409 1 256 . 1 1 56 56 ASN H H 1 8.64 0.01 . 1 . . . . 56 ASN H . 15409 1 257 . 1 1 56 56 ASN C C 13 173.94 0.10 . 1 . . . . 56 ASN C . 15409 1 258 . 1 1 56 56 ASN CA C 13 51.21 0.10 . 1 . . . . 56 ASN CA . 15409 1 259 . 1 1 56 56 ASN CB C 13 38.72 0.10 . 1 . . . . 56 ASN CB . 15409 1 260 . 1 1 56 56 ASN N N 15 121.48 0.10 . 1 . . . . 56 ASN N . 15409 1 261 . 1 1 57 57 PRO C C 13 177.08 0.10 . 1 . . . . 57 PRO C . 15409 1 262 . 1 1 57 57 PRO CA C 13 63.86 0.10 . 1 . . . . 57 PRO CA . 15409 1 263 . 1 1 57 57 PRO CB C 13 32.15 0.10 . 1 . . . . 57 PRO CB . 15409 1 264 . 1 1 58 58 GLN H H 1 8.37 0.01 . 1 . . . . 58 GLN H . 15409 1 265 . 1 1 58 58 GLN C C 13 176.09 0.10 . 1 . . . . 58 GLN C . 15409 1 266 . 1 1 58 58 GLN CA C 13 56.17 0.10 . 1 . . . . 58 GLN CA . 15409 1 267 . 1 1 58 58 GLN CB C 13 29.07 0.10 . 1 . . . . 58 GLN CB . 15409 1 268 . 1 1 58 58 GLN N N 15 118.58 0.10 . 1 . . . . 58 GLN N . 15409 1 269 . 1 1 59 59 GLU H H 1 8.14 0.01 . 1 . . . . 59 GLU H . 15409 1 270 . 1 1 59 59 GLU C C 13 176.97 0.10 . 1 . . . . 59 GLU C . 15409 1 271 . 1 1 59 59 GLU CA C 13 57.06 0.10 . 1 . . . . 59 GLU CA . 15409 1 272 . 1 1 59 59 GLU CB C 13 30.36 0.10 . 1 . . . . 59 GLU CB . 15409 1 273 . 1 1 59 59 GLU N N 15 121.55 0.10 . 1 . . . . 59 GLU N . 15409 1 274 . 1 1 60 60 GLY H H 1 8.43 0.01 . 1 . . . . 60 GLY H . 15409 1 275 . 1 1 60 60 GLY C C 13 174.04 0.10 . 1 . . . . 60 GLY C . 15409 1 276 . 1 1 60 60 GLY CA C 13 45.41 0.10 . 1 . . . . 60 GLY CA . 15409 1 277 . 1 1 60 60 GLY N N 15 110.00 0.10 . 1 . . . . 60 GLY N . 15409 1 278 . 1 1 61 61 LEU H H 1 7.96 0.01 . 1 . . . . 61 LEU H . 15409 1 279 . 1 1 61 61 LEU C C 13 177.23 0.10 . 1 . . . . 61 LEU C . 15409 1 280 . 1 1 61 61 LEU CA C 13 55.37 0.10 . 1 . . . . 61 LEU CA . 15409 1 281 . 1 1 61 61 LEU CB C 13 42.35 0.10 . 1 . . . . 61 LEU CB . 15409 1 282 . 1 1 61 61 LEU N N 15 121.33 0.10 . 1 . . . . 61 LEU N . 15409 1 283 . 1 1 62 62 TYR H H 1 8.22 0.01 . 1 . . . . 62 TYR H . 15409 1 284 . 1 1 62 62 TYR C C 13 175.72 0.10 . 1 . . . . 62 TYR C . 15409 1 285 . 1 1 62 62 TYR CA C 13 58.05 0.10 . 1 . . . . 62 TYR CA . 15409 1 286 . 1 1 62 62 TYR CB C 13 38.62 0.10 . 1 . . . . 62 TYR CB . 15409 1 287 . 1 1 62 62 TYR N N 15 120.21 0.10 . 1 . . . . 62 TYR N . 15409 1 288 . 1 1 63 63 ASN H H 1 8.27 0.01 . 1 . . . . 63 ASN H . 15409 1 289 . 1 1 63 63 ASN C C 13 175.26 0.10 . 1 . . . . 63 ASN C . 15409 1 290 . 1 1 63 63 ASN CA C 13 53.35 0.10 . 1 . . . . 63 ASN CA . 15409 1 291 . 1 1 63 63 ASN CB C 13 39.00 0.10 . 1 . . . . 63 ASN CB . 15409 1 292 . 1 1 63 63 ASN N N 15 120.41 0.10 . 1 . . . . 63 ASN N . 15409 1 293 . 1 1 64 64 GLU H H 1 8.41 0.01 . 1 . . . . 64 GLU H . 15409 1 294 . 1 1 64 64 GLU C C 13 176.75 0.10 . 1 . . . . 64 GLU C . 15409 1 295 . 1 1 64 64 GLU CA C 13 57.25 0.10 . 1 . . . . 64 GLU CA . 15409 1 296 . 1 1 64 64 GLU CB C 13 30.06 0.10 . 1 . . . . 64 GLU CB . 15409 1 297 . 1 1 64 64 GLU N N 15 121.28 0.10 . 1 . . . . 64 GLU N . 15409 1 298 . 1 1 65 65 LEU H H 1 8.17 0.01 . 1 . . . . 65 LEU H . 15409 1 299 . 1 1 65 65 LEU C C 13 177.75 0.10 . 1 . . . . 65 LEU C . 15409 1 300 . 1 1 65 65 LEU CA C 13 55.65 0.10 . 1 . . . . 65 LEU CA . 15409 1 301 . 1 1 65 65 LEU CB C 13 42.08 0.10 . 1 . . . . 65 LEU CB . 15409 1 302 . 1 1 65 65 LEU N N 15 121.81 0.10 . 1 . . . . 65 LEU N . 15409 1 303 . 1 1 66 66 GLN H H 1 8.21 0.01 . 1 . . . . 66 GLN H . 15409 1 304 . 1 1 66 66 GLN C C 13 176.37 0.10 . 1 . . . . 66 GLN C . 15409 1 305 . 1 1 66 66 GLN CA C 13 56.05 0.10 . 1 . . . . 66 GLN CA . 15409 1 306 . 1 1 66 66 GLN CB C 13 29.05 0.10 . 1 . . . . 66 GLN CB . 15409 1 307 . 1 1 66 66 GLN N N 15 120.38 0.10 . 1 . . . . 66 GLN N . 15409 1 308 . 1 1 67 67 LYS H H 1 8.22 0.01 . 1 . . . . 67 LYS H . 15409 1 309 . 1 1 67 67 LYS C C 13 176.78 0.10 . 1 . . . . 67 LYS C . 15409 1 310 . 1 1 67 67 LYS CA C 13 57.24 0.10 . 1 . . . . 67 LYS CA . 15409 1 311 . 1 1 67 67 LYS CB C 13 32.92 0.10 . 1 . . . . 67 LYS CB . 15409 1 312 . 1 1 67 67 LYS N N 15 122.16 0.10 . 1 . . . . 67 LYS N . 15409 1 313 . 1 1 68 68 ASP H H 1 8.35 0.01 . 1 . . . . 68 ASP H . 15409 1 314 . 1 1 68 68 ASP C C 13 176.62 0.10 . 1 . . . . 68 ASP C . 15409 1 315 . 1 1 68 68 ASP CA C 13 56.34 0.10 . 1 . . . . 68 ASP CA . 15409 1 316 . 1 1 68 68 ASP CB C 13 40.95 0.10 . 1 . . . . 68 ASP CB . 15409 1 317 . 1 1 68 68 ASP N N 15 120.58 0.10 . 1 . . . . 68 ASP N . 15409 1 318 . 1 1 69 69 LYS H H 1 8.18 0.01 . 1 . . . . 69 LYS H . 15409 1 319 . 1 1 69 69 LYS C C 13 177.23 0.10 . 1 . . . . 69 LYS C . 15409 1 320 . 1 1 69 69 LYS CA C 13 56.87 0.10 . 1 . . . . 69 LYS CA . 15409 1 321 . 1 1 69 69 LYS CB C 13 32.68 0.10 . 1 . . . . 69 LYS CB . 15409 1 322 . 1 1 69 69 LYS N N 15 121.45 0.10 . 1 . . . . 69 LYS N . 15409 1 323 . 1 1 70 70 MET H H 1 8.29 0.01 . 1 . . . . 70 MET H . 15409 1 324 . 1 1 70 70 MET C C 13 176.46 0.10 . 1 . . . . 70 MET C . 15409 1 325 . 1 1 70 70 MET CA C 13 55.84 0.10 . 1 . . . . 70 MET CA . 15409 1 326 . 1 1 70 70 MET CB C 13 32.53 0.10 . 1 . . . . 70 MET CB . 15409 1 327 . 1 1 70 70 MET N N 15 120.41 0.10 . 1 . . . . 70 MET N . 15409 1 328 . 1 1 71 71 ALA H H 1 8.14 0.01 . 1 . . . . 71 ALA H . 15409 1 329 . 1 1 71 71 ALA C C 13 178.22 0.10 . 1 . . . . 71 ALA C . 15409 1 330 . 1 1 71 71 ALA CA C 13 53.05 0.10 . 1 . . . . 71 ALA CA . 15409 1 331 . 1 1 71 71 ALA CB C 13 19.08 0.10 . 1 . . . . 71 ALA CB . 15409 1 332 . 1 1 71 71 ALA N N 15 124.26 0.10 . 1 . . . . 71 ALA N . 15409 1 333 . 1 1 72 72 GLU H H 1 8.28 0.01 . 1 . . . . 72 GLU H . 15409 1 334 . 1 1 72 72 GLU C C 13 176.56 0.10 . 1 . . . . 72 GLU C . 15409 1 335 . 1 1 72 72 GLU CA C 13 56.90 0.10 . 1 . . . . 72 GLU CA . 15409 1 336 . 1 1 72 72 GLU CB C 13 30.19 0.10 . 1 . . . . 72 GLU CB . 15409 1 337 . 1 1 72 72 GLU N N 15 119.74 0.10 . 1 . . . . 72 GLU N . 15409 1 338 . 1 1 73 73 ALA H H 1 8.17 0.01 . 1 . . . . 73 ALA H . 15409 1 339 . 1 1 73 73 ALA C C 13 177.68 0.10 . 1 . . . . 73 ALA C . 15409 1 340 . 1 1 73 73 ALA CA C 13 52.78 0.10 . 1 . . . . 73 ALA CA . 15409 1 341 . 1 1 73 73 ALA CB C 13 19.10 0.10 . 1 . . . . 73 ALA CB . 15409 1 342 . 1 1 73 73 ALA N N 15 124.11 0.10 . 1 . . . . 73 ALA N . 15409 1 343 . 1 1 74 74 TYR H H 1 8.11 0.01 . 1 . . . . 74 TYR H . 15409 1 344 . 1 1 74 74 TYR C C 13 176.00 0.10 . 1 . . . . 74 TYR C . 15409 1 345 . 1 1 74 74 TYR CA C 13 58.26 0.10 . 1 . . . . 74 TYR CA . 15409 1 346 . 1 1 74 74 TYR CB C 13 38.65 0.10 . 1 . . . . 74 TYR CB . 15409 1 347 . 1 1 74 74 TYR N N 15 119.16 0.10 . 1 . . . . 74 TYR N . 15409 1 348 . 1 1 75 75 SER H H 1 8.02 0.01 . 1 . . . . 75 SER H . 15409 1 349 . 1 1 75 75 SER C C 13 174.28 0.10 . 1 . . . . 75 SER C . 15409 1 350 . 1 1 75 75 SER CA C 13 58.30 0.10 . 1 . . . . 75 SER CA . 15409 1 351 . 1 1 75 75 SER CB C 13 64.00 0.10 . 1 . . . . 75 SER CB . 15409 1 352 . 1 1 75 75 SER N N 15 117.28 0.10 . 1 . . . . 75 SER N . 15409 1 353 . 1 1 76 76 GLU H H 1 8.39 0.01 . 1 . . . . 76 GLU H . 15409 1 354 . 1 1 76 76 GLU C C 13 176.75 0.10 . 1 . . . . 76 GLU C . 15409 1 355 . 1 1 76 76 GLU CA C 13 56.82 0.10 . 1 . . . . 76 GLU CA . 15409 1 356 . 1 1 76 76 GLU CB C 13 30.20 0.10 . 1 . . . . 76 GLU CB . 15409 1 357 . 1 1 76 76 GLU N N 15 122.89 0.10 . 1 . . . . 76 GLU N . 15409 1 358 . 1 1 77 77 ILE H H 1 8.07 0.01 . 1 . . . . 77 ILE H . 15409 1 359 . 1 1 77 77 ILE C C 13 177.08 0.10 . 1 . . . . 77 ILE C . 15409 1 360 . 1 1 77 77 ILE CA C 13 61.86 0.10 . 1 . . . . 77 ILE CA . 15409 1 361 . 1 1 77 77 ILE CB C 13 38.49 0.10 . 1 . . . . 77 ILE CB . 15409 1 362 . 1 1 77 77 ILE N N 15 120.76 0.10 . 1 . . . . 77 ILE N . 15409 1 363 . 1 1 78 78 GLY H H 1 8.46 0.01 . 1 . . . . 78 GLY H . 15409 1 364 . 1 1 78 78 GLY C C 13 174.49 0.10 . 1 . . . . 78 GLY C . 15409 1 365 . 1 1 78 78 GLY CA C 13 45.38 0.10 . 1 . . . . 78 GLY CA . 15409 1 366 . 1 1 78 78 GLY N N 15 112.18 0.10 . 1 . . . . 78 GLY N . 15409 1 367 . 1 1 79 79 MET H H 1 8.20 0.01 . 1 . . . . 79 MET H . 15409 1 368 . 1 1 79 79 MET C C 13 176.66 0.10 . 1 . . . . 79 MET C . 15409 1 369 . 1 1 79 79 MET CA C 13 55.78 0.10 . 1 . . . . 79 MET CA . 15409 1 370 . 1 1 79 79 MET CB C 13 32.84 0.10 . 1 . . . . 79 MET CB . 15409 1 371 . 1 1 79 79 MET N N 15 119.82 0.10 . 1 . . . . 79 MET N . 15409 1 372 . 1 1 80 80 LYS H H 1 8.44 0.01 . 1 . . . . 80 LYS H . 15409 1 373 . 1 1 80 80 LYS C C 13 177.21 0.10 . 1 . . . . 80 LYS C . 15409 1 374 . 1 1 80 80 LYS CA C 13 56.74 0.10 . 1 . . . . 80 LYS CA . 15409 1 375 . 1 1 80 80 LYS CB C 13 32.70 0.10 . 1 . . . . 80 LYS CB . 15409 1 376 . 1 1 80 80 LYS N N 15 121.80 0.10 . 1 . . . . 80 LYS N . 15409 1 377 . 1 1 81 81 GLY H H 1 8.37 0.01 . 1 . . . . 81 GLY H . 15409 1 378 . 1 1 81 81 GLY C C 13 174.16 0.10 . 1 . . . . 81 GLY C . 15409 1 379 . 1 1 81 81 GLY CA C 13 45.34 0.10 . 1 . . . . 81 GLY CA . 15409 1 380 . 1 1 81 81 GLY N N 15 109.61 0.10 . 1 . . . . 81 GLY N . 15409 1 381 . 1 1 82 82 GLU H H 1 8.35 0.01 . 1 . . . . 82 GLU H . 15409 1 382 . 1 1 82 82 GLU C C 13 176.63 0.10 . 1 . . . . 82 GLU C . 15409 1 383 . 1 1 82 82 GLU CA C 13 56.63 0.10 . 1 . . . . 82 GLU CA . 15409 1 384 . 1 1 82 82 GLU CB C 13 30.37 0.10 . 1 . . . . 82 GLU CB . 15409 1 385 . 1 1 82 82 GLU N N 15 120.95 0.10 . 1 . . . . 82 GLU N . 15409 1 386 . 1 1 83 83 ARG H H 1 8.45 0.01 . 1 . . . . 83 ARG H . 15409 1 387 . 1 1 83 83 ARG C C 13 176.39 0.10 . 1 . . . . 83 ARG C . 15409 1 388 . 1 1 83 83 ARG CA C 13 56.23 0.10 . 1 . . . . 83 ARG CA . 15409 1 389 . 1 1 83 83 ARG CB C 13 30.61 0.10 . 1 . . . . 83 ARG CB . 15409 1 390 . 1 1 83 83 ARG N N 15 122.32 0.10 . 1 . . . . 83 ARG N . 15409 1 391 . 1 1 84 84 ARG H H 1 8.40 0.01 . 1 . . . . 84 ARG H . 15409 1 392 . 1 1 84 84 ARG C C 13 176.23 0.10 . 1 . . . . 84 ARG C . 15409 1 393 . 1 1 84 84 ARG CA C 13 56.18 0.10 . 1 . . . . 84 ARG CA . 15409 1 394 . 1 1 84 84 ARG CB C 13 30.81 0.10 . 1 . . . . 84 ARG CB . 15409 1 395 . 1 1 84 84 ARG N N 15 122.34 0.10 . 1 . . . . 84 ARG N . 15409 1 396 . 1 1 85 85 ARG H H 1 8.44 0.01 . 1 . . . . 85 ARG H . 15409 1 397 . 1 1 85 85 ARG C C 13 176.74 0.10 . 1 . . . . 85 ARG C . 15409 1 398 . 1 1 85 85 ARG CA C 13 56.22 0.10 . 1 . . . . 85 ARG CA . 15409 1 399 . 1 1 85 85 ARG CB C 13 31.06 0.10 . 1 . . . . 85 ARG CB . 15409 1 400 . 1 1 85 85 ARG N N 15 122.39 0.10 . 1 . . . . 85 ARG N . 15409 1 401 . 1 1 86 86 GLY H H 1 8.48 0.01 . 1 . . . . 86 GLY H . 15409 1 402 . 1 1 86 86 GLY C C 13 173.86 0.10 . 1 . . . . 86 GLY C . 15409 1 403 . 1 1 86 86 GLY CA C 13 45.05 0.10 . 1 . . . . 86 GLY CA . 15409 1 404 . 1 1 86 86 GLY N N 15 110.20 0.10 . 1 . . . . 86 GLY N . 15409 1 405 . 1 1 87 87 LYS H H 1 8.35 0.01 . 1 . . . . 87 LYS H . 15409 1 406 . 1 1 87 87 LYS C C 13 177.26 0.10 . 1 . . . . 87 LYS C . 15409 1 407 . 1 1 87 87 LYS CA C 13 56.46 0.10 . 1 . . . . 87 LYS CA . 15409 1 408 . 1 1 87 87 LYS CB C 13 33.14 0.10 . 1 . . . . 87 LYS CB . 15409 1 409 . 1 1 87 87 LYS N N 15 120.76 0.10 . 1 . . . . 87 LYS N . 15409 1 410 . 1 1 88 88 GLY H H 1 8.55 0.01 . 1 . . . . 88 GLY H . 15409 1 411 . 1 1 88 88 GLY C C 13 174.12 0.10 . 1 . . . . 88 GLY C . 15409 1 412 . 1 1 88 88 GLY CA C 13 45.17 0.10 . 1 . . . . 88 GLY CA . 15409 1 413 . 1 1 88 88 GLY N N 15 110.02 0.10 . 1 . . . . 88 GLY N . 15409 1 414 . 1 1 89 89 HIS C C 13 174.97 0.10 . 1 . . . . 89 HIS C . 15409 1 415 . 1 1 89 89 HIS CA C 13 56.10 0.10 . 1 . . . . 89 HIS CA . 15409 1 416 . 1 1 89 89 HIS CB C 13 30.11 0.10 . 1 . . . . 89 HIS CB . 15409 1 417 . 1 1 90 90 ASP H H 1 8.39 0.01 . 1 . . . . 90 ASP H . 15409 1 418 . 1 1 90 90 ASP C C 13 176.69 0.10 . 1 . . . . 90 ASP C . 15409 1 419 . 1 1 90 90 ASP CA C 13 54.55 0.10 . 1 . . . . 90 ASP CA . 15409 1 420 . 1 1 90 90 ASP CB C 13 41.10 0.10 . 1 . . . . 90 ASP CB . 15409 1 421 . 1 1 90 90 ASP N N 15 120.95 0.10 . 1 . . . . 90 ASP N . 15409 1 422 . 1 1 91 91 GLY H H 1 8.39 0.01 . 1 . . . . 91 GLY H . 15409 1 423 . 1 1 91 91 GLY C C 13 174.16 0.10 . 1 . . . . 91 GLY C . 15409 1 424 . 1 1 91 91 GLY CA C 13 45.55 0.10 . 1 . . . . 91 GLY CA . 15409 1 425 . 1 1 91 91 GLY N N 15 108.94 0.10 . 1 . . . . 91 GLY N . 15409 1 426 . 1 1 92 92 LEU H H 1 8.02 0.01 . 1 . . . . 92 LEU H . 15409 1 427 . 1 1 92 92 LEU C C 13 177.30 0.10 . 1 . . . . 92 LEU C . 15409 1 428 . 1 1 92 92 LEU CA C 13 55.25 0.10 . 1 . . . . 92 LEU CA . 15409 1 429 . 1 1 92 92 LEU CB C 13 42.34 0.10 . 1 . . . . 92 LEU CB . 15409 1 430 . 1 1 92 92 LEU N N 15 121.34 0.10 . 1 . . . . 92 LEU N . 15409 1 431 . 1 1 93 93 TYR H H 1 8.28 0.01 . 1 . . . . 93 TYR H . 15409 1 432 . 1 1 93 93 TYR C C 13 175.89 0.10 . 1 . . . . 93 TYR C . 15409 1 433 . 1 1 93 93 TYR CA C 13 58.05 0.10 . 1 . . . . 93 TYR CA . 15409 1 434 . 1 1 93 93 TYR CB C 13 38.49 0.10 . 1 . . . . 93 TYR CB . 15409 1 435 . 1 1 93 93 TYR N N 15 120.81 0.10 . 1 . . . . 93 TYR N . 15409 1 436 . 1 1 94 94 GLN H H 1 8.30 0.01 . 1 . . . . 94 GLN H . 15409 1 437 . 1 1 94 94 GLN C C 13 176.01 0.10 . 1 . . . . 94 GLN C . 15409 1 438 . 1 1 94 94 GLN CA C 13 55.85 0.10 . 1 . . . . 94 GLN CA . 15409 1 439 . 1 1 94 94 GLN CB C 13 29.52 0.10 . 1 . . . . 94 GLN CB . 15409 1 440 . 1 1 94 94 GLN N N 15 122.65 0.10 . 1 . . . . 94 GLN N . 15409 1 441 . 1 1 95 95 GLY H H 1 7.86 0.01 . 1 . . . . 95 GLY H . 15409 1 442 . 1 1 95 95 GLY C C 13 173.86 0.10 . 1 . . . . 95 GLY C . 15409 1 443 . 1 1 95 95 GLY CA C 13 45.27 0.10 . 1 . . . . 95 GLY CA . 15409 1 444 . 1 1 95 95 GLY N N 15 109.09 0.10 . 1 . . . . 95 GLY N . 15409 1 445 . 1 1 96 96 LEU H H 1 8.13 0.01 . 1 . . . . 96 LEU H . 15409 1 446 . 1 1 96 96 LEU C C 13 177.74 0.10 . 1 . . . . 96 LEU C . 15409 1 447 . 1 1 96 96 LEU CA C 13 55.16 0.10 . 1 . . . . 96 LEU CA . 15409 1 448 . 1 1 96 96 LEU CB C 13 42.63 0.10 . 1 . . . . 96 LEU CB . 15409 1 449 . 1 1 96 96 LEU N N 15 121.30 0.10 . 1 . . . . 96 LEU N . 15409 1 450 . 1 1 97 97 SER H H 1 8.47 0.01 . 1 . . . . 97 SER H . 15409 1 451 . 1 1 97 97 SER C C 13 175.00 0.10 . 1 . . . . 97 SER C . 15409 1 452 . 1 1 97 97 SER CA C 13 58.36 0.10 . 1 . . . . 97 SER CA . 15409 1 453 . 1 1 97 97 SER CB C 13 63.74 0.10 . 1 . . . . 97 SER CB . 15409 1 454 . 1 1 97 97 SER N N 15 116.87 0.10 . 1 . . . . 97 SER N . 15409 1 455 . 1 1 98 98 THR H H 1 8.19 0.01 . 1 . . . . 98 THR H . 15409 1 456 . 1 1 98 98 THR C C 13 174.39 0.10 . 1 . . . . 98 THR C . 15409 1 457 . 1 1 98 98 THR CA C 13 61.91 0.10 . 1 . . . . 98 THR CA . 15409 1 458 . 1 1 98 98 THR CB C 13 69.55 0.10 . 1 . . . . 98 THR CB . 15409 1 459 . 1 1 98 98 THR N N 15 115.75 0.10 . 1 . . . . 98 THR N . 15409 1 460 . 1 1 99 99 ALA H H 1 8.26 0.01 . 1 . . . . 99 ALA H . 15409 1 461 . 1 1 99 99 ALA C C 13 178.03 0.10 . 1 . . . . 99 ALA C . 15409 1 462 . 1 1 99 99 ALA CA C 13 52.78 0.10 . 1 . . . . 99 ALA CA . 15409 1 463 . 1 1 99 99 ALA CB C 13 19.30 0.10 . 1 . . . . 99 ALA CB . 15409 1 464 . 1 1 99 99 ALA N N 15 126.07 0.10 . 1 . . . . 99 ALA N . 15409 1 465 . 1 1 100 100 THR H H 1 8.15 0.01 . 1 . . . . 100 THR H . 15409 1 466 . 1 1 100 100 THR C C 13 174.80 0.10 . 1 . . . . 100 THR C . 15409 1 467 . 1 1 100 100 THR CA C 13 62.04 0.10 . 1 . . . . 100 THR CA . 15409 1 468 . 1 1 100 100 THR CB C 13 69.82 0.10 . 1 . . . . 100 THR CB . 15409 1 469 . 1 1 100 100 THR N N 15 113.85 0.10 . 1 . . . . 100 THR N . 15409 1 470 . 1 1 101 101 LYS H H 1 8.37 0.01 . 1 . . . . 101 LYS H . 15409 1 471 . 1 1 101 101 LYS C C 13 176.39 0.10 . 1 . . . . 101 LYS C . 15409 1 472 . 1 1 101 101 LYS CA C 13 56.81 0.10 . 1 . . . . 101 LYS CA . 15409 1 473 . 1 1 101 101 LYS CB C 13 33.02 0.10 . 1 . . . . 101 LYS CB . 15409 1 474 . 1 1 101 101 LYS N N 15 123.44 0.10 . 1 . . . . 101 LYS N . 15409 1 475 . 1 1 102 102 ASP H H 1 8.38 0.01 . 1 . . . . 102 ASP H . 15409 1 476 . 1 1 102 102 ASP C C 13 176.61 0.10 . 1 . . . . 102 ASP C . 15409 1 477 . 1 1 102 102 ASP CA C 13 54.84 0.10 . 1 . . . . 102 ASP CA . 15409 1 478 . 1 1 102 102 ASP CB C 13 41.10 0.10 . 1 . . . . 102 ASP CB . 15409 1 479 . 1 1 102 102 ASP N N 15 121.05 0.10 . 1 . . . . 102 ASP N . 15409 1 480 . 1 1 103 103 THR H H 1 7.97 0.01 . 1 . . . . 103 THR H . 15409 1 481 . 1 1 103 103 THR C C 13 174.53 0.10 . 1 . . . . 103 THR C . 15409 1 482 . 1 1 103 103 THR CA C 13 62.37 0.10 . 1 . . . . 103 THR CA . 15409 1 483 . 1 1 103 103 THR CB C 13 69.72 0.10 . 1 . . . . 103 THR CB . 15409 1 484 . 1 1 103 103 THR N N 15 114.04 0.10 . 1 . . . . 103 THR N . 15409 1 485 . 1 1 104 104 TYR H H 1 8.23 0.01 . 1 . . . . 104 TYR H . 15409 1 486 . 1 1 104 104 TYR C C 13 176.02 0.10 . 1 . . . . 104 TYR C . 15409 1 487 . 1 1 104 104 TYR CA C 13 58.95 0.10 . 1 . . . . 104 TYR CA . 15409 1 488 . 1 1 104 104 TYR CB C 13 38.73 0.10 . 1 . . . . 104 TYR CB . 15409 1 489 . 1 1 104 104 TYR N N 15 122.57 0.10 . 1 . . . . 104 TYR N . 15409 1 490 . 1 1 105 105 ASP H H 1 8.33 0.01 . 1 . . . . 105 ASP H . 15409 1 491 . 1 1 105 105 ASP C C 13 176.51 0.10 . 1 . . . . 105 ASP C . 15409 1 492 . 1 1 105 105 ASP CA C 13 54.48 0.10 . 1 . . . . 105 ASP CA . 15409 1 493 . 1 1 105 105 ASP CB C 13 41.06 0.10 . 1 . . . . 105 ASP CB . 15409 1 494 . 1 1 105 105 ASP N N 15 122.29 0.10 . 1 . . . . 105 ASP N . 15409 1 495 . 1 1 106 106 ALA H H 1 8.16 0.01 . 1 . . . . 106 ALA H . 15409 1 496 . 1 1 106 106 ALA C C 13 178.63 0.10 . 1 . . . . 106 ALA C . 15409 1 497 . 1 1 106 106 ALA CA C 13 53.73 0.10 . 1 . . . . 106 ALA CA . 15409 1 498 . 1 1 106 106 ALA CB C 13 18.85 0.10 . 1 . . . . 106 ALA CB . 15409 1 499 . 1 1 106 106 ALA N N 15 123.87 0.10 . 1 . . . . 106 ALA N . 15409 1 500 . 1 1 107 107 LEU H H 1 7.98 0.01 . 1 . . . . 107 LEU H . 15409 1 501 . 1 1 107 107 LEU C C 13 177.74 0.10 . 1 . . . . 107 LEU C . 15409 1 502 . 1 1 107 107 LEU CA C 13 55.76 0.10 . 1 . . . . 107 LEU CA . 15409 1 503 . 1 1 107 107 LEU CB C 13 41.98 0.10 . 1 . . . . 107 LEU CB . 15409 1 504 . 1 1 107 107 LEU N N 15 118.11 0.10 . 1 . . . . 107 LEU N . 15409 1 505 . 1 1 108 108 HIS H H 1 7.96 0.01 . 1 . . . . 108 HIS H . 15409 1 506 . 1 1 108 108 HIS C C 13 174.81 0.10 . 1 . . . . 108 HIS C . 15409 1 507 . 1 1 108 108 HIS CA C 13 56.13 0.10 . 1 . . . . 108 HIS CA . 15409 1 508 . 1 1 108 108 HIS CB C 13 29.15 0.10 . 1 . . . . 108 HIS CB . 15409 1 509 . 1 1 108 108 HIS N N 15 117.65 0.10 . 1 . . . . 108 HIS N . 15409 1 510 . 1 1 109 109 MET H H 1 8.14 0.01 . 1 . . . . 109 MET H . 15409 1 511 . 1 1 109 109 MET C C 13 176.25 0.10 . 1 . . . . 109 MET C . 15409 1 512 . 1 1 109 109 MET CA C 13 55.78 0.10 . 1 . . . . 109 MET CA . 15409 1 513 . 1 1 109 109 MET CB C 13 32.74 0.10 . 1 . . . . 109 MET CB . 15409 1 514 . 1 1 109 109 MET N N 15 120.32 0.10 . 1 . . . . 109 MET N . 15409 1 515 . 1 1 110 110 GLN H H 1 8.32 0.01 . 1 . . . . 110 GLN H . 15409 1 516 . 1 1 110 110 GLN C C 13 175.38 0.10 . 1 . . . . 110 GLN C . 15409 1 517 . 1 1 110 110 GLN CA C 13 55.82 0.10 . 1 . . . . 110 GLN CA . 15409 1 518 . 1 1 110 110 GLN CB C 13 29.54 0.10 . 1 . . . . 110 GLN CB . 15409 1 519 . 1 1 110 110 GLN N N 15 120.97 0.10 . 1 . . . . 110 GLN N . 15409 1 520 . 1 1 111 111 ALA H H 1 8.27 0.01 . 1 . . . . 111 ALA H . 15409 1 521 . 1 1 111 111 ALA C C 13 177.28 0.10 . 1 . . . . 111 ALA C . 15409 1 522 . 1 1 111 111 ALA CA C 13 52.21 0.10 . 1 . . . . 111 ALA CA . 15409 1 523 . 1 1 111 111 ALA CB C 13 19.24 0.10 . 1 . . . . 111 ALA CB . 15409 1 524 . 1 1 111 111 ALA N N 15 125.33 0.10 . 1 . . . . 111 ALA N . 15409 1 525 . 1 1 112 112 LEU H H 1 8.22 0.01 . 1 . . . . 112 LEU H . 15409 1 526 . 1 1 112 112 LEU C C 13 174.80 0.10 . 1 . . . . 112 LEU C . 15409 1 527 . 1 1 112 112 LEU CA C 13 52.89 0.10 . 1 . . . . 112 LEU CA . 15409 1 528 . 1 1 112 112 LEU CB C 13 41.61 0.10 . 1 . . . . 112 LEU CB . 15409 1 529 . 1 1 112 112 LEU N N 15 123.18 0.10 . 1 . . . . 112 LEU N . 15409 1 stop_ save_