data_17474 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17474 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CD147 Ig0 C66M domain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-17 _Entry.Accession_date 2011-02-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Jasmina Redzic . S. . 17474 2 Geoffrey Armstrong . S. . 17474 3 Nancy Isern . G. . 17474 4 Jeffrey Kieft . S. . 17474 5 Elan Eisenmesser . Z. . 17474 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17474 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 17474 '15N chemical shifts' 106 17474 '1H chemical shifts' 108 17474 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 . . 2012-03-09 2011-02-17 update BMRB 'update entry citation' 17474 1 . . 2011-06-01 2011-02-17 original author 'original release' 17474 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17474 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21620857 _Citation.Full_citation . _Citation.Title 'The retinal specific CD147 Ig0 domain: from molecular structure to biological activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 411 _Citation.Journal_issue 1 _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 68 _Citation.Page_last 82 _Citation.Year 2011 _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 Jasmina Redzic . S. . 17474 1 2 Geoffrey Armstrong . S. . 17474 1 3 Nancy Isern . G. . 17474 1 4 David Jones . N.M. . 17474 1 5 Jeffrey Kieft . S. . 17474 1 6 'Elan Zohar' Eisenmesser . . . 17474 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD147 17474 1 EMMPRIN 17474 1 Immunoglobulin 17474 1 Interleukin-6 17474 1 retinoblastoma 17474 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17474 _Assembly.ID 1 _Assembly.Name 'CD147 Ig0 C66M Dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'CD147 Ig0 C66M_Molecule 1' 1 $CD147_Ig0_C66M A . yes native no no . . . 17474 1 2 'CD147 Ig0 C66M_Molecule 2' 1 $CD147_Ig0_C66M B . yes native no no . . . 17474 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD147_Ig0_C66M _Entity.Sf_category entity _Entity.Sf_framecode CD147_Ig0_C66M _Entity.Entry_ID 17474 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD147_Ig0_C66M _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MAGFVQAPLSQQRWVGGSVE LHCEAVGSPVPEIQWWFEGQ GPNDIMSQLWDGARLDRVHI HATYHQHAASTISIDTLVEE DTGTYECRASNDPDRNHLTR APRVKWVRAQAVVLVLE ; _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 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2014-05-12 loop_ _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 no PDB 3QQN . "The Retinal Specific Cd147 Ig0 Domain: From Molecular Structure To Biological Activity" . . . . . 99.27 137 98.53 98.53 7.26e-92 . . . . 17474 1 no PDB 3QR2 . "Wild Type Cd147 Ig0 Domain" . . . . . 100.00 137 99.27 99.27 6.27e-94 . . . . 17474 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17474 1 2 . GLY . 17474 1 3 . SER . 17474 1 4 . SER . 17474 1 5 . HIS . 17474 1 6 . HIS . 17474 1 7 . HIS . 17474 1 8 . HIS . 17474 1 9 . HIS . 17474 1 10 . HIS . 17474 1 11 . SER . 17474 1 12 . SER . 17474 1 13 . GLY . 17474 1 14 . LEU . 17474 1 15 . VAL . 17474 1 16 . PRO . 17474 1 17 . ARG . 17474 1 18 . GLY . 17474 1 19 . SER . 17474 1 20 . HIS . 17474 1 21 . MET . 17474 1 22 . ALA . 17474 1 23 . GLY . 17474 1 24 . PHE . 17474 1 25 . VAL . 17474 1 26 . GLN . 17474 1 27 . ALA . 17474 1 28 . PRO . 17474 1 29 . LEU . 17474 1 30 . SER . 17474 1 31 . GLN . 17474 1 32 . GLN . 17474 1 33 . ARG . 17474 1 34 . TRP . 17474 1 35 . VAL . 17474 1 36 . GLY . 17474 1 37 . GLY . 17474 1 38 . SER . 17474 1 39 . VAL . 17474 1 40 . GLU . 17474 1 41 . LEU . 17474 1 42 . HIS . 17474 1 43 . CYS . 17474 1 44 . GLU . 17474 1 45 . ALA . 17474 1 46 . VAL . 17474 1 47 . GLY . 17474 1 48 . SER . 17474 1 49 . PRO . 17474 1 50 . VAL . 17474 1 51 . PRO . 17474 1 52 . GLU . 17474 1 53 . ILE . 17474 1 54 . GLN . 17474 1 55 . TRP . 17474 1 56 . TRP . 17474 1 57 . PHE . 17474 1 58 . GLU . 17474 1 59 . GLY . 17474 1 60 . GLN . 17474 1 61 . GLY . 17474 1 62 . PRO . 17474 1 63 . ASN . 17474 1 64 . ASP . 17474 1 65 . ILE . 17474 1 66 . MET . 17474 1 67 . SER . 17474 1 68 . GLN . 17474 1 69 . LEU . 17474 1 70 . TRP . 17474 1 71 . ASP . 17474 1 72 . GLY . 17474 1 73 . ALA . 17474 1 74 . ARG . 17474 1 75 . LEU . 17474 1 76 . ASP . 17474 1 77 . ARG . 17474 1 78 . VAL . 17474 1 79 . HIS . 17474 1 80 . ILE . 17474 1 81 . HIS . 17474 1 82 . ALA . 17474 1 83 . THR . 17474 1 84 . TYR . 17474 1 85 . HIS . 17474 1 86 . GLN . 17474 1 87 . HIS . 17474 1 88 . ALA . 17474 1 89 . ALA . 17474 1 90 . SER . 17474 1 91 . THR . 17474 1 92 . ILE . 17474 1 93 . SER . 17474 1 94 . ILE . 17474 1 95 . ASP . 17474 1 96 . THR . 17474 1 97 . LEU . 17474 1 98 . VAL . 17474 1 99 . GLU . 17474 1 100 . GLU . 17474 1 101 . ASP . 17474 1 102 . THR . 17474 1 103 . GLY . 17474 1 104 . THR . 17474 1 105 . TYR . 17474 1 106 . GLU . 17474 1 107 . CYS . 17474 1 108 . ARG . 17474 1 109 . ALA . 17474 1 110 . SER . 17474 1 111 . ASN . 17474 1 112 . ASP . 17474 1 113 . PRO . 17474 1 114 . ASP . 17474 1 115 . ARG . 17474 1 116 . ASN . 17474 1 117 . HIS . 17474 1 118 . LEU . 17474 1 119 . THR . 17474 1 120 . ARG . 17474 1 121 . ALA . 17474 1 122 . PRO . 17474 1 123 . ARG . 17474 1 124 . VAL . 17474 1 125 . LYS . 17474 1 126 . TRP . 17474 1 127 . VAL . 17474 1 128 . ARG . 17474 1 129 . ALA . 17474 1 130 . GLN . 17474 1 131 . ALA . 17474 1 132 . VAL . 17474 1 133 . VAL . 17474 1 134 . LEU . 17474 1 135 . VAL . 17474 1 136 . LEU . 17474 1 137 . GLU . 17474 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17474 1 . GLY 2 2 17474 1 . SER 3 3 17474 1 . SER 4 4 17474 1 . HIS 5 5 17474 1 . HIS 6 6 17474 1 . HIS 7 7 17474 1 . HIS 8 8 17474 1 . HIS 9 9 17474 1 . HIS 10 10 17474 1 . SER 11 11 17474 1 . SER 12 12 17474 1 . GLY 13 13 17474 1 . LEU 14 14 17474 1 . VAL 15 15 17474 1 . PRO 16 16 17474 1 . ARG 17 17 17474 1 . GLY 18 18 17474 1 . SER 19 19 17474 1 . HIS 20 20 17474 1 . MET 21 21 17474 1 . ALA 22 22 17474 1 . GLY 23 23 17474 1 . PHE 24 24 17474 1 . VAL 25 25 17474 1 . GLN 26 26 17474 1 . ALA 27 27 17474 1 . PRO 28 28 17474 1 . LEU 29 29 17474 1 . SER 30 30 17474 1 . GLN 31 31 17474 1 . GLN 32 32 17474 1 . ARG 33 33 17474 1 . TRP 34 34 17474 1 . VAL 35 35 17474 1 . GLY 36 36 17474 1 . GLY 37 37 17474 1 . SER 38 38 17474 1 . VAL 39 39 17474 1 . GLU 40 40 17474 1 . LEU 41 41 17474 1 . HIS 42 42 17474 1 . CYS 43 43 17474 1 . GLU 44 44 17474 1 . ALA 45 45 17474 1 . VAL 46 46 17474 1 . GLY 47 47 17474 1 . SER 48 48 17474 1 . PRO 49 49 17474 1 . VAL 50 50 17474 1 . PRO 51 51 17474 1 . GLU 52 52 17474 1 . ILE 53 53 17474 1 . GLN 54 54 17474 1 . TRP 55 55 17474 1 . TRP 56 56 17474 1 . PHE 57 57 17474 1 . GLU 58 58 17474 1 . GLY 59 59 17474 1 . GLN 60 60 17474 1 . GLY 61 61 17474 1 . PRO 62 62 17474 1 . ASN 63 63 17474 1 . ASP 64 64 17474 1 . ILE 65 65 17474 1 . MET 66 66 17474 1 . SER 67 67 17474 1 . GLN 68 68 17474 1 . LEU 69 69 17474 1 . TRP 70 70 17474 1 . ASP 71 71 17474 1 . GLY 72 72 17474 1 . ALA 73 73 17474 1 . ARG 74 74 17474 1 . LEU 75 75 17474 1 . ASP 76 76 17474 1 . ARG 77 77 17474 1 . VAL 78 78 17474 1 . HIS 79 79 17474 1 . ILE 80 80 17474 1 . HIS 81 81 17474 1 . ALA 82 82 17474 1 . THR 83 83 17474 1 . TYR 84 84 17474 1 . HIS 85 85 17474 1 . GLN 86 86 17474 1 . HIS 87 87 17474 1 . ALA 88 88 17474 1 . ALA 89 89 17474 1 . SER 90 90 17474 1 . THR 91 91 17474 1 . ILE 92 92 17474 1 . SER 93 93 17474 1 . ILE 94 94 17474 1 . ASP 95 95 17474 1 . THR 96 96 17474 1 . LEU 97 97 17474 1 . VAL 98 98 17474 1 . GLU 99 99 17474 1 . GLU 100 100 17474 1 . ASP 101 101 17474 1 . THR 102 102 17474 1 . GLY 103 103 17474 1 . THR 104 104 17474 1 . TYR 105 105 17474 1 . GLU 106 106 17474 1 . CYS 107 107 17474 1 . ARG 108 108 17474 1 . ALA 109 109 17474 1 . SER 110 110 17474 1 . ASN 111 111 17474 1 . ASP 112 112 17474 1 . PRO 113 113 17474 1 . ASP 114 114 17474 1 . ARG 115 115 17474 1 . ASN 116 116 17474 1 . HIS 117 117 17474 1 . LEU 118 118 17474 1 . THR 119 119 17474 1 . ARG 120 120 17474 1 . ALA 121 121 17474 1 . PRO 122 122 17474 1 . ARG 123 123 17474 1 . VAL 124 124 17474 1 . LYS 125 125 17474 1 . TRP 126 126 17474 1 . VAL 127 127 17474 1 . ARG 128 128 17474 1 . ALA 129 129 17474 1 . GLN 130 130 17474 1 . ALA 131 131 17474 1 . VAL 132 132 17474 1 . VAL 133 133 17474 1 . LEU 134 134 17474 1 . VAL 135 135 17474 1 . LEU 136 136 17474 1 . GLU 137 137 17474 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 17474 _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 $CD147_Ig0_C66M . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17474 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 17474 _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 $CD147_Ig0_C66M . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 17474 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17474 _Sample.ID 1 _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 'Ammonium Chloride' '[U-99% 15N]' . . . . . . 0.1 . . w/v . . . . 17474 1 2 D2O '[U-99% 2H]' . . . . . . 100 . . % . . . . 17474 1 3 glucose 'U-13C6, 99%' . . . . . . 0.2 . . w/v . . . . 17474 1 4 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 17474 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17474 1 stop_ save_ ####################### # Sample conditions # ####################### save_2H15N13C_sample _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 2H15N13C_sample _Sample_condition_list.Entry_ID 17474 _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' 0.25 . M 17474 1 pH 7 . pH 17474 1 pressure 1 . atm 17474 1 temperature 298 . K 17474 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17474 _Software.ID 1 _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' . . 17474 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17474 1 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 17474 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17474 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17474 _NMR_spectrometer.ID 3 _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 17474 _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 'Uniform NMR System' . 900 . . . 17474 1 2 spectrometer_2 Varian 'Uniform NMR System' . 800 . . . 17474 1 3 spectrometer_3 Varian INOVA . 600 . . . 17474 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 17474 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $2H15N13C_sample . . . . . . . . . . . . . . . . . . . . . 17474 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $2H15N13C_sample . . . . . . . . . . . . . . . . . . . . . 17474 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $2H15N13C_sample . . . . . . . . . . . . . . . . . . . . . 17474 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $2H15N13C_sample . . . . . . . . . . . . . . . . . . . . . 17474 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 17474 _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 4.773 internal indirect 0.2514 . . . . . . . . . 17474 1 H 1 water protons . . . . ppm 4.773 internal indirect 1.0 . . . . . . . . . 17474 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.1013 . . . . . . . . . 17474 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 17474 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $2H15N13C_sample _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17474 1 2 '3D 1H-15N NOESY' . . . 17474 1 3 '3D HNCACB' . . . 17474 1 4 '3D CBCA(CO)NH' . . . 17474 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 12 12 SER H H 1 8.502 . . 1 . . . . 12 S HN . 17474 1 2 . 1 1 12 12 SER CA C 13 58.415 . . 1 . . . . 12 S CA . 17474 1 3 . 1 1 12 12 SER CB C 13 63.483 . . 1 . . . . 12 S CB . 17474 1 4 . 1 1 12 12 SER N N 15 118.081 . . 1 . . . . 12 S N . 17474 1 5 . 1 1 13 13 GLY H H 1 8.372 . . 1 . . . . 13 G HN . 17474 1 6 . 1 1 13 13 GLY N N 15 110.560 . . 1 . . . . 13 G N . 17474 1 7 . 1 1 14 14 LEU H H 1 8.036 . . 1 . . . . 14 L HN . 17474 1 8 . 1 1 14 14 LEU CA C 13 54.835 . . 1 . . . . 14 L CA . 17474 1 9 . 1 1 14 14 LEU CB C 13 41.572 . . 1 . . . . 14 L CB . 17474 1 10 . 1 1 14 14 LEU N N 15 121.572 . . 1 . . . . 14 L N . 17474 1 11 . 1 1 15 15 VAL H H 1 8.066 . . 1 . . . . 15 V HN . 17474 1 12 . 1 1 15 15 VAL CA C 13 59.319 . . 1 . . . . 15 V CA . 17474 1 13 . 1 1 15 15 VAL CB C 13 31.842 . . 1 . . . . 15 V CB . 17474 1 14 . 1 1 15 15 VAL N N 15 121.911 . . 1 . . . . 15 V N . 17474 1 15 . 1 1 16 16 PRO CA C 13 60.285 . . 1 . . . . 16 P CA . 17474 1 16 . 1 1 16 16 PRO CB C 13 31.193 . . 1 . . . . 16 P CB . 17474 1 17 . 1 1 17 17 ARG H H 1 8.465 . . 1 . . . . 17 R HN . 17474 1 18 . 1 1 17 17 ARG CA C 13 56.162 . . 1 . . . . 17 R CA . 17474 1 19 . 1 1 17 17 ARG CB C 13 29.859 . . 1 . . . . 17 R CB . 17474 1 20 . 1 1 17 17 ARG N N 15 121.884 . . 1 . . . . 17 R N . 17474 1 21 . 1 1 18 18 GLY H H 1 8.483 . . 1 . . . . 18 G HN . 17474 1 22 . 1 1 18 18 GLY CA C 13 44.760 . . 1 . . . . 18 G CA . 17474 1 23 . 1 1 18 18 GLY N N 15 110.305 . . 1 . . . . 18 G N . 17474 1 24 . 1 1 19 19 SER H H 1 7.908 . . 1 . . . . 19 S HN . 17474 1 25 . 1 1 19 19 SER CA C 13 57.793 . . 1 . . . . 19 S CA . 17474 1 26 . 1 1 19 19 SER CB C 13 63.746 . . 1 . . . . 19 S CB . 17474 1 27 . 1 1 19 19 SER N N 15 115.194 . . 1 . . . . 19 S N . 17474 1 28 . 1 1 20 20 HIS H H 1 8.495 . . 1 . . . . 20 H HN . 17474 1 29 . 1 1 20 20 HIS CA C 13 55.953 . . 1 . . . . 20 H CA . 17474 1 30 . 1 1 20 20 HIS CB C 13 29.437 . . 1 . . . . 20 H CB . 17474 1 31 . 1 1 20 20 HIS N N 15 121.116 . . 1 . . . . 20 H N . 17474 1 32 . 1 1 21 21 MET H H 1 8.390 . . 1 . . . . 21 M HN . 17474 1 33 . 1 1 21 21 MET CA C 13 55.291 . . 1 . . . . 21 M CA . 17474 1 34 . 1 1 21 21 MET CB C 13 33.257 . . 1 . . . . 21 M CB . 17474 1 35 . 1 1 21 21 MET N N 15 122.495 . . 1 . . . . 21 M N . 17474 1 36 . 1 1 22 22 ALA CA C 13 50.136 . . 1 . . . . 22 A CA . 17474 1 37 . 1 1 22 22 ALA CB C 13 19.926 . . 1 . . . . 22 A CB . 17474 1 38 . 1 1 23 23 GLY H H 1 8.110 . . 1 . . . . 23 G HN . 17474 1 39 . 1 1 23 23 GLY CA C 13 43.632 . . 1 . . . . 23 G CA . 17474 1 40 . 1 1 23 23 GLY N N 15 106.108 . . 1 . . . . 23 G N . 17474 1 41 . 1 1 24 24 PHE H H 1 9.892 . . 1 . . . . 24 F HN . 17474 1 42 . 1 1 24 24 PHE CA C 13 59.644 . . 1 . . . . 24 F CA . 17474 1 43 . 1 1 24 24 PHE CB C 13 39.561 . . 1 . . . . 24 F CB . 17474 1 44 . 1 1 24 24 PHE N N 15 120.756 . . 1 . . . . 24 F N . 17474 1 45 . 1 1 25 25 VAL H H 1 8.273 . . 1 . . . . 25 V HN . 17474 1 46 . 1 1 25 25 VAL CA C 13 59.077 . . 1 . . . . 25 V CA . 17474 1 47 . 1 1 25 25 VAL CB C 13 32.171 . . 1 . . . . 25 V CB . 17474 1 48 . 1 1 25 25 VAL N N 15 113.371 . . 1 . . . . 25 V N . 17474 1 49 . 1 1 26 26 GLN H H 1 7.941 . . 1 . . . . 26 Q HN . 17474 1 50 . 1 1 26 26 GLN CA C 13 56.201 . . 1 . . . . 26 Q CA . 17474 1 51 . 1 1 26 26 GLN CB C 13 30.930 . . 1 . . . . 26 Q CB . 17474 1 52 . 1 1 26 26 GLN N N 15 119.836 . . 1 . . . . 26 Q N . 17474 1 53 . 1 1 27 27 ALA H H 1 9.139 . . 1 . . . . 27 A HN . 17474 1 54 . 1 1 27 27 ALA CA C 13 48.016 . . 1 . . . . 27 A CA . 17474 1 55 . 1 1 27 27 ALA CB C 13 17.685 . . 1 . . . . 27 A CB . 17474 1 56 . 1 1 27 27 ALA N N 15 129.368 . . 1 . . . . 27 A N . 17474 1 57 . 1 1 28 28 PRO CA C 13 62.311 . . 1 . . . . 28 P CA . 17474 1 58 . 1 1 28 28 PRO CB C 13 31.584 . . 1 . . . . 28 P CB . 17474 1 59 . 1 1 29 29 LEU H H 1 8.567 . . 1 . . . . 29 L HN . 17474 1 60 . 1 1 29 29 LEU CA C 13 53.894 . . 1 . . . . 29 L CA . 17474 1 61 . 1 1 29 29 LEU CB C 13 44.122 . . 1 . . . . 29 L CB . 17474 1 62 . 1 1 29 29 LEU N N 15 124.727 . . 1 . . . . 29 L N . 17474 1 63 . 1 1 30 30 SER H H 1 7.461 . . 1 . . . . 30 S HN . 17474 1 64 . 1 1 30 30 SER CA C 13 59.155 . . 1 . . . . 30 S CA . 17474 1 65 . 1 1 30 30 SER CB C 13 63.602 . . 1 . . . . 30 S CB . 17474 1 66 . 1 1 30 30 SER N N 15 119.751 . . 1 . . . . 30 S N . 17474 1 67 . 1 1 31 31 GLN H H 1 8.700 . . 1 . . . . 31 Q HN . 17474 1 68 . 1 1 31 31 GLN CA C 13 54.023 . . 1 . . . . 31 Q CA . 17474 1 69 . 1 1 31 31 GLN CB C 13 34.911 . . 1 . . . . 31 Q CB . 17474 1 70 . 1 1 31 31 GLN N N 15 119.290 . . 1 . . . . 31 Q N . 17474 1 71 . 1 1 32 32 GLN H H 1 8.724 . . 1 . . . . 32 Q HN . 17474 1 72 . 1 1 32 32 GLN CA C 13 53.765 . . 1 . . . . 32 Q CA . 17474 1 73 . 1 1 32 32 GLN CB C 13 29.484 . . 1 . . . . 32 Q CB . 17474 1 74 . 1 1 32 32 GLN N N 15 120.942 . . 1 . . . . 32 Q N . 17474 1 75 . 1 1 33 33 ARG H H 1 9.069 . . 1 . . . . 33 R HN . 17474 1 76 . 1 1 33 33 ARG CA C 13 51.725 . . 1 . . . . 33 R CA . 17474 1 77 . 1 1 33 33 ARG CB C 13 34.824 . . 1 . . . . 33 R CB . 17474 1 78 . 1 1 33 33 ARG N N 15 126.498 . . 1 . . . . 33 R N . 17474 1 79 . 1 1 34 34 TRP H H 1 8.386 . . 1 . . . . 34 W HN . 17474 1 80 . 1 1 34 34 TRP CA C 13 55.643 . . 1 . . . . 34 W CA . 17474 1 81 . 1 1 34 34 TRP CB C 13 31.551 . . 1 . . . . 34 W CB . 17474 1 82 . 1 1 34 34 TRP N N 15 121.427 . . 1 . . . . 34 W N . 17474 1 83 . 1 1 35 35 VAL H H 1 8.348 . . 1 . . . . 35 V HN . 17474 1 84 . 1 1 35 35 VAL CA C 13 63.740 . . 1 . . . . 35 V CA . 17474 1 85 . 1 1 35 35 VAL CB C 13 31.480 . . 1 . . . . 35 V CB . 17474 1 86 . 1 1 35 35 VAL N N 15 120.053 . . 1 . . . . 35 V N . 17474 1 87 . 1 1 36 36 GLY H H 1 9.809 . . 1 . . . . 36 G HN . 17474 1 88 . 1 1 36 36 GLY CA C 13 44.668 . . 1 . . . . 36 G CA . 17474 1 89 . 1 1 36 36 GLY N N 15 116.566 . . 1 . . . . 36 G N . 17474 1 90 . 1 1 37 37 GLY H H 1 8.526 . . 1 . . . . 37 G HN . 17474 1 91 . 1 1 37 37 GLY CA C 13 44.008 . . 1 . . . . 37 G CA . 17474 1 92 . 1 1 37 37 GLY N N 15 109.629 . . 1 . . . . 37 G N . 17474 1 93 . 1 1 38 38 SER H H 1 8.301 . . 1 . . . . 38 S HN . 17474 1 94 . 1 1 38 38 SER CA C 13 56.367 . . 1 . . . . 38 S CA . 17474 1 95 . 1 1 38 38 SER CB C 13 66.319 . . 1 . . . . 38 S CB . 17474 1 96 . 1 1 38 38 SER N N 15 112.037 . . 1 . . . . 38 S N . 17474 1 97 . 1 1 39 39 VAL H H 1 8.425 . . 1 . . . . 39 V HN . 17474 1 98 . 1 1 39 39 VAL CA C 13 59.534 . . 1 . . . . 39 V CA . 17474 1 99 . 1 1 39 39 VAL CB C 13 34.722 . . 1 . . . . 39 V CB . 17474 1 100 . 1 1 39 39 VAL N N 15 118.860 . . 1 . . . . 39 V N . 17474 1 101 . 1 1 40 40 GLU H H 1 7.953 . . 1 . . . . 40 E HN . 17474 1 102 . 1 1 40 40 GLU CA C 13 54.068 . . 1 . . . . 40 E CA . 17474 1 103 . 1 1 40 40 GLU CB C 13 32.388 . . 1 . . . . 40 E CB . 17474 1 104 . 1 1 40 40 GLU N N 15 124.895 . . 1 . . . . 40 E N . 17474 1 105 . 1 1 41 41 LEU H H 1 8.921 . . 1 . . . . 41 L HN . 17474 1 106 . 1 1 41 41 LEU CA C 13 52.584 . . 1 . . . . 41 L CA . 17474 1 107 . 1 1 41 41 LEU CB C 13 43.777 . . 1 . . . . 41 L CB . 17474 1 108 . 1 1 41 41 LEU N N 15 122.193 . . 1 . . . . 41 L N . 17474 1 109 . 1 1 42 42 HIS H H 1 8.962 . . 1 . . . . 42 H HN . 17474 1 110 . 1 1 42 42 HIS CA C 13 54.495 . . 1 . . . . 42 H CA . 17474 1 111 . 1 1 42 42 HIS CB C 13 32.031 . . 1 . . . . 42 H CB . 17474 1 112 . 1 1 42 42 HIS N N 15 119.515 . . 1 . . . . 42 H N . 17474 1 113 . 1 1 43 43 CYS H H 1 8.657 . . 1 . . . . 43 C HN . 17474 1 114 . 1 1 43 43 CYS CA C 13 53.191 . . 1 . . . . 43 C CA . 17474 1 115 . 1 1 43 43 CYS CB C 13 45.729 . . 1 . . . . 43 C CB . 17474 1 116 . 1 1 43 43 CYS N N 15 119.829 . . 1 . . . . 43 C N . 17474 1 117 . 1 1 44 44 GLU H H 1 9.424 . . 1 . . . . 44 E HN . 17474 1 118 . 1 1 44 44 GLU CA C 13 54.797 . . 1 . . . . 44 E CA . 17474 1 119 . 1 1 44 44 GLU CB C 13 33.729 . . 1 . . . . 44 E CB . 17474 1 120 . 1 1 44 44 GLU N N 15 124.055 . . 1 . . . . 44 E N . 17474 1 121 . 1 1 45 45 ALA H H 1 9.677 . . 1 . . . . 45 A HN . 17474 1 122 . 1 1 45 45 ALA CA C 13 50.239 . . 1 . . . . 45 A CA . 17474 1 123 . 1 1 45 45 ALA CB C 13 22.548 . . 1 . . . . 45 A CB . 17474 1 124 . 1 1 45 45 ALA N N 15 127.235 . . 1 . . . . 45 A N . 17474 1 125 . 1 1 46 46 VAL H H 1 9.057 . . 1 . . . . 46 V HN . 17474 1 126 . 1 1 46 46 VAL CA C 13 57.943 . . 1 . . . . 46 V CA . 17474 1 127 . 1 1 46 46 VAL CB C 13 34.457 . . 1 . . . . 46 V CB . 17474 1 128 . 1 1 46 46 VAL N N 15 113.548 . . 1 . . . . 46 V N . 17474 1 129 . 1 1 47 47 GLY H H 1 7.946 . . 1 . . . . 47 G HN . 17474 1 130 . 1 1 47 47 GLY CA C 13 44.491 . . 1 . . . . 47 G CA . 17474 1 131 . 1 1 47 47 GLY N N 15 106.833 . . 1 . . . . 47 G N . 17474 1 132 . 1 1 48 48 SER H H 1 8.321 . . 1 . . . . 48 S HN . 17474 1 133 . 1 1 48 48 SER CA C 13 54.510 . . 1 . . . . 48 S CA . 17474 1 134 . 1 1 48 48 SER CB C 13 64.315 . . 1 . . . . 48 S CB . 17474 1 135 . 1 1 48 48 SER N N 15 114.605 . . 1 . . . . 48 S N . 17474 1 136 . 1 1 49 49 PRO CA C 13 62.650 . . 1 . . . . 49 P CA . 17474 1 137 . 1 1 49 49 PRO CB C 13 33.955 . . 1 . . . . 49 P CB . 17474 1 138 . 1 1 50 50 VAL H H 1 8.437 . . 1 . . . . 50 V HN . 17474 1 139 . 1 1 50 50 VAL CA C 13 60.848 . . 1 . . . . 50 V CA . 17474 1 140 . 1 1 50 50 VAL CB C 13 31.540 . . 1 . . . . 50 V CB . 17474 1 141 . 1 1 50 50 VAL N N 15 121.505 . . 1 . . . . 50 V N . 17474 1 142 . 1 1 51 51 PRO CA C 13 61.718 . . 1 . . . . 51 P CA . 17474 1 143 . 1 1 51 51 PRO CB C 13 31.175 . . 1 . . . . 51 P CB . 17474 1 144 . 1 1 52 52 GLU H H 1 7.661 . . 1 . . . . 52 E HN . 17474 1 145 . 1 1 52 52 GLU CA C 13 55.309 . . 1 . . . . 52 E CA . 17474 1 146 . 1 1 52 52 GLU CB C 13 30.985 . . 1 . . . . 52 E CB . 17474 1 147 . 1 1 52 52 GLU N N 15 118.655 . . 1 . . . . 52 E N . 17474 1 148 . 1 1 53 53 ILE H H 1 8.136 . . 1 . . . . 53 I HN . 17474 1 149 . 1 1 53 53 ILE CA C 13 59.486 . . 1 . . . . 53 I CA . 17474 1 150 . 1 1 53 53 ILE CB C 13 40.534 . . 1 . . . . 53 I CB . 17474 1 151 . 1 1 53 53 ILE N N 15 122.952 . . 1 . . . . 53 I N . 17474 1 152 . 1 1 54 54 GLN H H 1 9.258 . . 1 . . . . 54 Q HN . 17474 1 153 . 1 1 54 54 GLN CA C 13 53.146 . . 1 . . . . 54 Q CA . 17474 1 154 . 1 1 54 54 GLN CB C 13 32.695 . . 1 . . . . 54 Q CB . 17474 1 155 . 1 1 54 54 GLN N N 15 126.120 . . 1 . . . . 54 Q N . 17474 1 156 . 1 1 55 55 TRP H H 1 9.277 . . 1 . . . . 55 W HN . 17474 1 157 . 1 1 55 55 TRP CA C 13 56.040 . . 1 . . . . 55 W CA . 17474 1 158 . 1 1 55 55 TRP CB C 13 32.652 . . 1 . . . . 55 W CB . 17474 1 159 . 1 1 55 55 TRP N N 15 119.894 . . 1 . . . . 55 W N . 17474 1 160 . 1 1 57 57 PHE H H 1 9.499 . . 1 . . . . 57 F HN . 17474 1 161 . 1 1 57 57 PHE CA C 13 55.207 . . 1 . . . . 57 F CA . 17474 1 162 . 1 1 57 57 PHE CB C 13 43.089 . . 1 . . . . 57 F CB . 17474 1 163 . 1 1 57 57 PHE N N 15 121.690 . . 1 . . . . 57 F N . 17474 1 164 . 1 1 58 58 GLU H H 1 8.117 . . 1 . . . . 58 E HN . 17474 1 165 . 1 1 58 58 GLU CA C 13 54.348 . . 1 . . . . 58 E CA . 17474 1 166 . 1 1 58 58 GLU CB C 13 33.721 . . 1 . . . . 58 E CB . 17474 1 167 . 1 1 58 58 GLU N N 15 129.086 . . 1 . . . . 58 E N . 17474 1 168 . 1 1 59 59 GLY H H 1 8.189 . . 1 . . . . 59 G HN . 17474 1 169 . 1 1 59 59 GLY CA C 13 44.696 . . 1 . . . . 59 G CA . 17474 1 170 . 1 1 59 59 GLY N N 15 114.593 . . 1 . . . . 59 G N . 17474 1 171 . 1 1 60 60 GLN H H 1 8.454 . . 1 . . . . 60 Q HN . 17474 1 172 . 1 1 60 60 GLN CA C 13 55.524 . . 1 . . . . 60 Q CA . 17474 1 173 . 1 1 60 60 GLN CB C 13 29.529 . . 1 . . . . 60 Q CB . 17474 1 174 . 1 1 60 60 GLN N N 15 114.118 . . 1 . . . . 60 Q N . 17474 1 175 . 1 1 61 61 GLY H H 1 8.997 . . 1 . . . . 61 G HN . 17474 1 176 . 1 1 61 61 GLY CA C 13 44.434 . . 1 . . . . 61 G CA . 17474 1 177 . 1 1 61 61 GLY N N 15 111.863 . . 1 . . . . 61 G N . 17474 1 178 . 1 1 62 62 PRO CA C 13 64.031 . . 1 . . . . 62 P CA . 17474 1 179 . 1 1 62 62 PRO CB C 13 30.990 . . 1 . . . . 62 P CB . 17474 1 180 . 1 1 63 63 ASN H H 1 8.603 . . 1 . . . . 63 N HN . 17474 1 181 . 1 1 63 63 ASN CA C 13 51.859 . . 1 . . . . 63 N CA . 17474 1 182 . 1 1 63 63 ASN CB C 13 38.585 . . 1 . . . . 63 N CB . 17474 1 183 . 1 1 63 63 ASN N N 15 115.125 . . 1 . . . . 63 N N . 17474 1 184 . 1 1 64 64 ASP H H 1 7.149 . . 1 . . . . 64 D HN . 17474 1 185 . 1 1 64 64 ASP CA C 13 54.935 . . 1 . . . . 64 D CA . 17474 1 186 . 1 1 64 64 ASP CB C 13 39.967 . . 1 . . . . 64 D CB . 17474 1 187 . 1 1 64 64 ASP N N 15 122.163 . . 1 . . . . 64 D N . 17474 1 188 . 1 1 65 65 ILE H H 1 8.195 . . 1 . . . . 65 I HN . 17474 1 189 . 1 1 65 65 ILE CA C 13 59.101 . . 1 . . . . 65 I CA . 17474 1 190 . 1 1 65 65 ILE CB C 13 40.450 . . 1 . . . . 65 I CB . 17474 1 191 . 1 1 65 65 ILE N N 15 117.635 . . 1 . . . . 65 I N . 17474 1 192 . 1 1 66 66 MET H H 1 8.474 . . 1 . . . . 66 M HN . 17474 1 193 . 1 1 66 66 MET CA C 13 55.701 . . 1 . . . . 66 M CA . 17474 1 194 . 1 1 66 66 MET CB C 13 32.598 . . 1 . . . . 66 M CB . 17474 1 195 . 1 1 66 66 MET N N 15 124.696 . . 1 . . . . 66 M N . 17474 1 196 . 1 1 67 67 SER H H 1 9.419 . . 1 . . . . 67 S HN . 17474 1 197 . 1 1 67 67 SER CA C 13 57.503 . . 1 . . . . 67 S CA . 17474 1 198 . 1 1 67 67 SER CB C 13 65.790 . . 1 . . . . 67 S CB . 17474 1 199 . 1 1 67 67 SER N N 15 120.554 . . 1 . . . . 67 S N . 17474 1 200 . 1 1 68 68 GLN H H 1 8.002 . . 1 . . . . 68 Q HN . 17474 1 201 . 1 1 68 68 GLN CA C 13 56.521 . . 1 . . . . 68 Q CA . 17474 1 202 . 1 1 68 68 GLN CB C 13 26.741 . . 1 . . . . 68 Q CB . 17474 1 203 . 1 1 68 68 GLN N N 15 126.890 . . 1 . . . . 68 Q N . 17474 1 204 . 1 1 69 69 LEU H H 1 8.838 . . 1 . . . . 69 L HN . 17474 1 205 . 1 1 69 69 LEU CA C 13 53.505 . . 1 . . . . 69 L CA . 17474 1 206 . 1 1 69 69 LEU CB C 13 43.769 . . 1 . . . . 69 L CB . 17474 1 207 . 1 1 69 69 LEU N N 15 126.227 . . 1 . . . . 69 L N . 17474 1 208 . 1 1 70 70 TRP H H 1 6.107 . . 1 . . . . 70 W HN . 17474 1 209 . 1 1 70 70 TRP CA C 13 54.675 . . 1 . . . . 70 W CA . 17474 1 210 . 1 1 70 70 TRP CB C 13 31.374 . . 1 . . . . 70 W CB . 17474 1 211 . 1 1 70 70 TRP N N 15 115.427 . . 1 . . . . 70 W N . 17474 1 212 . 1 1 71 71 ASP H H 1 9.052 . . 1 . . . . 71 D HN . 17474 1 213 . 1 1 71 71 ASP CA C 13 56.568 . . 1 . . . . 71 D CA . 17474 1 214 . 1 1 71 71 ASP CB C 13 41.972 . . 1 . . . . 71 D CB . 17474 1 215 . 1 1 71 71 ASP N N 15 120.170 . . 1 . . . . 71 D N . 17474 1 216 . 1 1 72 72 GLY H H 1 8.943 . . 1 . . . . 72 G HN . 17474 1 217 . 1 1 72 72 GLY CA C 13 44.354 . . 1 . . . . 72 G CA . 17474 1 218 . 1 1 72 72 GLY N N 15 116.287 . . 1 . . . . 72 G N . 17474 1 219 . 1 1 73 73 ALA H H 1 7.326 . . 1 . . . . 73 A HN . 17474 1 220 . 1 1 73 73 ALA CA C 13 51.897 . . 1 . . . . 73 A CA . 17474 1 221 . 1 1 73 73 ALA CB C 13 17.267 . . 1 . . . . 73 A CB . 17474 1 222 . 1 1 73 73 ALA N N 15 123.058 . . 1 . . . . 73 A N . 17474 1 223 . 1 1 74 74 ARG H H 1 8.521 . . 1 . . . . 74 R HN . 17474 1 224 . 1 1 74 74 ARG CA C 13 55.941 . . 1 . . . . 74 R CA . 17474 1 225 . 1 1 74 74 ARG CB C 13 25.816 . . 1 . . . . 74 R CB . 17474 1 226 . 1 1 74 74 ARG N N 15 113.206 . . 1 . . . . 74 R N . 17474 1 227 . 1 1 75 75 LEU H H 1 8.778 . . 1 . . . . 75 L HN . 17474 1 228 . 1 1 75 75 LEU CA C 13 54.879 . . 1 . . . . 75 L CA . 17474 1 229 . 1 1 75 75 LEU CB C 13 37.414 . . 1 . . . . 75 L CB . 17474 1 230 . 1 1 75 75 LEU N N 15 116.067 . . 1 . . . . 75 L N . 17474 1 231 . 1 1 76 76 ASP H H 1 7.334 . . 1 . . . . 76 D HN . 17474 1 232 . 1 1 76 76 ASP CA C 13 55.482 . . 1 . . . . 76 D CA . 17474 1 233 . 1 1 76 76 ASP CB C 13 40.226 . . 1 . . . . 76 D CB . 17474 1 234 . 1 1 76 76 ASP N N 15 113.118 . . 1 . . . . 76 D N . 17474 1 235 . 1 1 77 77 ARG H H 1 7.203 . . 1 . . . . 77 R HN . 17474 1 236 . 1 1 77 77 ARG CA C 13 57.429 . . 1 . . . . 77 R CA . 17474 1 237 . 1 1 77 77 ARG CB C 13 29.800 . . 1 . . . . 77 R CB . 17474 1 238 . 1 1 77 77 ARG N N 15 114.371 . . 1 . . . . 77 R N . 17474 1 239 . 1 1 78 78 VAL H H 1 7.270 . . 1 . . . . 78 V HN . 17474 1 240 . 1 1 78 78 VAL CA C 13 60.289 . . 1 . . . . 78 V CA . 17474 1 241 . 1 1 78 78 VAL CB C 13 31.094 . . 1 . . . . 78 V CB . 17474 1 242 . 1 1 78 78 VAL N N 15 116.396 . . 1 . . . . 78 V N . 17474 1 243 . 1 1 79 79 HIS H H 1 9.021 . . 1 . . . . 79 H HN . 17474 1 244 . 1 1 79 79 HIS CA C 13 53.167 . . 1 . . . . 79 H CA . 17474 1 245 . 1 1 79 79 HIS CB C 13 30.325 . . 1 . . . . 79 H CB . 17474 1 246 . 1 1 79 79 HIS N N 15 124.819 . . 1 . . . . 79 H N . 17474 1 247 . 1 1 82 82 ALA H H 1 8.631 . . 1 . . . . 82 A HN . 17474 1 248 . 1 1 82 82 ALA CA C 13 50.795 . . 1 . . . . 82 A CA . 17474 1 249 . 1 1 82 82 ALA CB C 13 21.620 . . 1 . . . . 82 A CB . 17474 1 250 . 1 1 82 82 ALA N N 15 125.433 . . 1 . . . . 82 A N . 17474 1 251 . 1 1 83 83 THR H H 1 8.999 . . 1 . . . . 83 T HN . 17474 1 252 . 1 1 83 83 THR HA H 1 3.907 . . 1 . . . . 83 T HA . 17474 1 253 . 1 1 83 83 THR HB H 1 4.319 . . 1 . . . . 83 T HB . 17474 1 254 . 1 1 83 83 THR CA C 13 60.101 . . 1 . . . . 83 T CA . 17474 1 255 . 1 1 83 83 THR CB C 13 71.038 . . 1 . . . . 83 T CB . 17474 1 256 . 1 1 83 83 THR N N 15 114.116 . . 1 . . . . 83 T N . 17474 1 257 . 1 1 84 84 TYR H H 1 8.639 . . 1 . . . . 84 Y HN . 17474 1 258 . 1 1 84 84 TYR CA C 13 56.426 . . 1 . . . . 84 Y CA . 17474 1 259 . 1 1 84 84 TYR CB C 13 38.591 . . 1 . . . . 84 Y CB . 17474 1 260 . 1 1 84 84 TYR N N 15 122.415 . . 1 . . . . 84 Y N . 17474 1 261 . 1 1 85 85 HIS H H 1 7.902 . . 1 . . . . 85 H HN . 17474 1 262 . 1 1 85 85 HIS CA C 13 55.031 . . 1 . . . . 85 H CA . 17474 1 263 . 1 1 85 85 HIS CB C 13 28.828 . . 1 . . . . 85 H CB . 17474 1 264 . 1 1 85 85 HIS N N 15 122.499 . . 1 . . . . 85 H N . 17474 1 265 . 1 1 86 86 GLN H H 1 7.821 . . 1 . . . . 86 Q HN . 17474 1 266 . 1 1 86 86 GLN CA C 13 58.660 . . 1 . . . . 86 Q CA . 17474 1 267 . 1 1 86 86 GLN N N 15 119.348 . . 1 . . . . 86 Q N . 17474 1 268 . 1 1 87 87 HIS H H 1 8.387 . . 1 . . . . 87 H HN . 17474 1 269 . 1 1 87 87 HIS CA C 13 53.867 . . 1 . . . . 87 H CA . 17474 1 270 . 1 1 87 87 HIS CB C 13 30.802 . . 1 . . . . 87 H CB . 17474 1 271 . 1 1 87 87 HIS N N 15 115.769 . . 1 . . . . 87 H N . 17474 1 272 . 1 1 88 88 ALA H H 1 8.884 . . 1 . . . . 88 A HN . 17474 1 273 . 1 1 88 88 ALA CA C 13 50.971 . . 1 . . . . 88 A CA . 17474 1 274 . 1 1 88 88 ALA CB C 13 21.547 . . 1 . . . . 88 A CB . 17474 1 275 . 1 1 88 88 ALA N N 15 123.557 . . 1 . . . . 88 A N . 17474 1 276 . 1 1 89 89 ALA CA C 13 50.532 . . 1 . . . . 89 A CA . 17474 1 277 . 1 1 89 89 ALA CB C 13 21.459 . . 1 . . . . 89 A CB . 17474 1 278 . 1 1 90 90 SER H H 1 9.021 . . 1 . . . . 90 S HN . 17474 1 279 . 1 1 90 90 SER CA C 13 56.210 . . 1 . . . . 90 S CA . 17474 1 280 . 1 1 90 90 SER CB C 13 64.557 . . 1 . . . . 90 S CB . 17474 1 281 . 1 1 90 90 SER N N 15 114.950 . . 1 . . . . 90 S N . 17474 1 282 . 1 1 91 91 THR H H 1 8.783 . . 1 . . . . 91 T HN . 17474 1 283 . 1 1 91 91 THR CA C 13 60.730 . . 1 . . . . 91 T CA . 17474 1 284 . 1 1 91 91 THR CB C 13 71.916 . . 1 . . . . 91 T CB . 17474 1 285 . 1 1 91 91 THR N N 15 124.800 . . 1 . . . . 91 T N . 17474 1 286 . 1 1 92 92 ILE H H 1 8.639 . . 1 . . . . 92 I HN . 17474 1 287 . 1 1 92 92 ILE CA C 13 56.861 . . 1 . . . . 92 I CA . 17474 1 288 . 1 1 92 92 ILE CB C 13 39.202 . . 1 . . . . 92 I CB . 17474 1 289 . 1 1 92 92 ILE N N 15 126.648 . . 1 . . . . 92 I N . 17474 1 290 . 1 1 93 93 SER H H 1 9.168 . . 1 . . . . 93 S HN . 17474 1 291 . 1 1 93 93 SER CA C 13 55.235 . . 1 . . . . 93 S CA . 17474 1 292 . 1 1 93 93 SER CB C 13 65.377 . . 1 . . . . 93 S CB . 17474 1 293 . 1 1 93 93 SER N N 15 121.966 . . 1 . . . . 93 S N . 17474 1 294 . 1 1 94 94 ILE H H 1 8.533 . . 1 . . . . 94 I HN . 17474 1 295 . 1 1 94 94 ILE CA C 13 59.896 . . 1 . . . . 94 I CA . 17474 1 296 . 1 1 94 94 ILE CB C 13 39.357 . . 1 . . . . 94 I CB . 17474 1 297 . 1 1 94 94 ILE N N 15 122.191 . . 1 . . . . 94 I N . 17474 1 298 . 1 1 95 95 ASP H H 1 8.449 . . 1 . . . . 95 D HN . 17474 1 299 . 1 1 95 95 ASP CA C 13 52.897 . . 1 . . . . 95 D CA . 17474 1 300 . 1 1 95 95 ASP CB C 13 43.716 . . 1 . . . . 95 D CB . 17474 1 301 . 1 1 95 95 ASP N N 15 125.724 . . 1 . . . . 95 D N . 17474 1 302 . 1 1 96 96 THR H H 1 8.155 . . 1 . . . . 96 T HN . 17474 1 303 . 1 1 96 96 THR CA C 13 60.939 . . 1 . . . . 96 T CA . 17474 1 304 . 1 1 96 96 THR CB C 13 66.992 . . 1 . . . . 96 T CB . 17474 1 305 . 1 1 96 96 THR N N 15 113.796 . . 1 . . . . 96 T N . 17474 1 306 . 1 1 97 97 LEU H H 1 8.425 . . 1 . . . . 97 L HN . 17474 1 307 . 1 1 97 97 LEU CA C 13 54.812 . . 1 . . . . 97 L CA . 17474 1 308 . 1 1 97 97 LEU CB C 13 42.785 . . 1 . . . . 97 L CB . 17474 1 309 . 1 1 97 97 LEU N N 15 118.062 . . 1 . . . . 97 L N . 17474 1 310 . 1 1 98 98 VAL H H 1 8.993 . . 1 . . . . 98 V HN . 17474 1 311 . 1 1 98 98 VAL CA C 13 58.594 . . 1 . . . . 98 V CA . 17474 1 312 . 1 1 98 98 VAL CB C 13 34.998 . . 1 . . . . 98 V CB . 17474 1 313 . 1 1 98 98 VAL N N 15 115.023 . . 1 . . . . 98 V N . 17474 1 314 . 1 1 99 99 GLU H H 1 9.304 . . 1 . . . . 99 E HN . 17474 1 315 . 1 1 99 99 GLU CA C 13 60.621 . . 1 . . . . 99 E CA . 17474 1 316 . 1 1 99 99 GLU CB C 13 28.532 . . 1 . . . . 99 E CB . 17474 1 317 . 1 1 99 99 GLU N N 15 123.184 . . 1 . . . . 99 E N . 17474 1 318 . 1 1 100 100 GLU H H 1 9.102 . . 1 . . . . 100 E HN . 17474 1 319 . 1 1 100 100 GLU CA C 13 58.601 . . 1 . . . . 100 E CA . 17474 1 320 . 1 1 100 100 GLU CB C 13 27.635 . . 1 . . . . 100 E CB . 17474 1 321 . 1 1 100 100 GLU N N 15 116.460 . . 1 . . . . 100 E N . 17474 1 322 . 1 1 101 101 ASP H H 1 8.119 . . 1 . . . . 101 D HN . 17474 1 323 . 1 1 101 101 ASP CA C 13 54.935 . . 1 . . . . 101 D CA . 17474 1 324 . 1 1 101 101 ASP CB C 13 40.747 . . 1 . . . . 101 D CB . 17474 1 325 . 1 1 101 101 ASP N N 15 118.356 . . 1 . . . . 101 D N . 17474 1 326 . 1 1 102 102 THR H H 1 8.117 . . 1 . . . . 102 T HN . 17474 1 327 . 1 1 102 102 THR CA C 13 63.358 . . 1 . . . . 102 T CA . 17474 1 328 . 1 1 102 102 THR CB C 13 69.894 . . 1 . . . . 102 T CB . 17474 1 329 . 1 1 102 102 THR N N 15 119.472 . . 1 . . . . 102 T N . 17474 1 330 . 1 1 103 103 GLY H H 1 8.967 . . 1 . . . . 103 G HN . 17474 1 331 . 1 1 103 103 GLY CA C 13 44.680 . . 1 . . . . 103 G CA . 17474 1 332 . 1 1 103 103 GLY N N 15 111.538 . . 1 . . . . 103 G N . 17474 1 333 . 1 1 104 104 THR H H 1 8.465 . . 1 . . . . 104 T HN . 17474 1 334 . 1 1 104 104 THR CA C 13 62.309 . . 1 . . . . 104 T CA . 17474 1 335 . 1 1 104 104 THR N N 15 117.781 . . 1 . . . . 104 T N . 17474 1 336 . 1 1 105 105 TYR H H 1 9.774 . . 1 . . . . 105 Y HN . 17474 1 337 . 1 1 105 105 TYR CB C 13 40.123 . . 1 . . . . 105 Y CB . 17474 1 338 . 1 1 105 105 TYR N N 15 126.871 . . 1 . . . . 105 Y N . 17474 1 339 . 1 1 106 106 GLU H H 1 10.000 . . 1 . . . . 106 E HN . 17474 1 340 . 1 1 106 106 GLU CA C 13 54.002 . . 1 . . . . 106 E CA . 17474 1 341 . 1 1 106 106 GLU CB C 13 34.400 . . 1 . . . . 106 E CB . 17474 1 342 . 1 1 106 106 GLU N N 15 124.248 . . 1 . . . . 106 E N . 17474 1 343 . 1 1 107 107 CYS H H 1 9.000 . . 1 . . . . 107 C HN . 17474 1 344 . 1 1 107 107 CYS CA C 13 53.029 . . 1 . . . . 107 C CA . 17474 1 345 . 1 1 107 107 CYS CB C 13 41.565 . . 1 . . . . 107 C CB . 17474 1 346 . 1 1 107 107 CYS N N 15 126.476 . . 1 . . . . 107 C N . 17474 1 347 . 1 1 108 108 ARG H H 1 9.210 . . 1 . . . . 108 R HN . 17474 1 348 . 1 1 108 108 ARG CA C 13 53.384 . . 1 . . . . 108 R CA . 17474 1 349 . 1 1 108 108 ARG CB C 13 33.657 . . 1 . . . . 108 R CB . 17474 1 350 . 1 1 108 108 ARG N N 15 124.351 . . 1 . . . . 108 R N . 17474 1 351 . 1 1 109 109 ALA H H 1 9.187 . . 1 . . . . 109 A HN . 17474 1 352 . 1 1 109 109 ALA CA C 13 49.596 . . 1 . . . . 109 A CA . 17474 1 353 . 1 1 109 109 ALA CB C 13 22.034 . . 1 . . . . 109 A CB . 17474 1 354 . 1 1 109 109 ALA N N 15 122.291 . . 1 . . . . 109 A N . 17474 1 355 . 1 1 110 110 SER H H 1 7.582 . . 1 . . . . 110 S HN . 17474 1 356 . 1 1 110 110 SER CA C 13 56.990 . . 1 . . . . 110 S CA . 17474 1 357 . 1 1 110 110 SER CB C 13 63.191 . . 1 . . . . 110 S CB . 17474 1 358 . 1 1 110 110 SER N N 15 112.402 . . 1 . . . . 110 S N . 17474 1 359 . 1 1 113 113 PRO CA C 13 64.224 . . 1 . . . . 113 P CA . 17474 1 360 . 1 1 113 113 PRO CB C 13 31.182 . . 1 . . . . 113 P CB . 17474 1 361 . 1 1 114 114 ASP H H 1 9.224 . . 1 . . . . 114 D HN . 17474 1 362 . 1 1 114 114 ASP CA C 13 54.416 . . 1 . . . . 114 D CA . 17474 1 363 . 1 1 114 114 ASP CB C 13 40.079 . . 1 . . . . 114 D CB . 17474 1 364 . 1 1 114 114 ASP N N 15 118.885 . . 1 . . . . 114 D N . 17474 1 365 . 1 1 115 115 ARG H H 1 7.602 . . 1 . . . . 115 R HN . 17474 1 366 . 1 1 115 115 ARG CA C 13 57.786 . . 1 . . . . 115 R CA . 17474 1 367 . 1 1 115 115 ARG CB C 13 27.130 . . 1 . . . . 115 R CB . 17474 1 368 . 1 1 115 115 ARG N N 15 118.352 . . 1 . . . . 115 R N . 17474 1 369 . 1 1 117 117 HIS H H 1 7.737 . . 1 . . . . 117 H HN . 17474 1 370 . 1 1 117 117 HIS CA C 13 57.107 . . 1 . . . . 117 H CA . 17474 1 371 . 1 1 117 117 HIS CB C 13 31.166 . . 1 . . . . 117 H CB . 17474 1 372 . 1 1 117 117 HIS N N 15 123.298 . . 1 . . . . 117 H N . 17474 1 373 . 1 1 118 118 LEU H H 1 8.307 . . 1 . . . . 118 L HN . 17474 1 374 . 1 1 118 118 LEU CA C 13 57.502 . . 1 . . . . 118 L CA . 17474 1 375 . 1 1 118 118 LEU CB C 13 41.737 . . 1 . . . . 118 L CB . 17474 1 376 . 1 1 118 118 LEU N N 15 125.673 . . 1 . . . . 118 L N . 17474 1 377 . 1 1 124 124 VAL H H 1 7.725 . . 1 . . . . 124 V HN . 17474 1 378 . 1 1 124 124 VAL CA C 13 62.207 . . 1 . . . . 124 V CA . 17474 1 379 . 1 1 124 124 VAL CB C 13 31.556 . . 1 . . . . 124 V CB . 17474 1 380 . 1 1 124 124 VAL N N 15 121.112 . . 1 . . . . 124 V N . 17474 1 381 . 1 1 125 125 LYS H H 1 8.586 . . 1 . . . . 125 K HN . 17474 1 382 . 1 1 125 125 LYS CA C 13 55.738 . . 1 . . . . 125 K CA . 17474 1 383 . 1 1 125 125 LYS CB C 13 31.771 . . 1 . . . . 125 K CB . 17474 1 384 . 1 1 125 125 LYS N N 15 127.334 . . 1 . . . . 125 K N . 17474 1 385 . 1 1 126 126 TRP H H 1 9.850 . . 1 . . . . 126 W HN . 17474 1 386 . 1 1 126 126 TRP CA C 13 55.649 . . 1 . . . . 126 W CA . 17474 1 387 . 1 1 126 126 TRP CB C 13 32.452 . . 1 . . . . 126 W CB . 17474 1 388 . 1 1 126 126 TRP N N 15 124.118 . . 1 . . . . 126 W N . 17474 1 389 . 1 1 127 127 VAL CB C 13 30.016 . . 1 . . . . 127 V CB . 17474 1 390 . 1 1 128 128 ARG H H 1 7.825 . . 1 . . . . 128 R HN . 17474 1 391 . 1 1 128 128 ARG CB C 13 33.454 . . 1 . . . . 128 R CB . 17474 1 392 . 1 1 128 128 ARG N N 15 120.694 . . 1 . . . . 128 R N . 17474 1 393 . 1 1 129 129 ALA H H 1 8.812 . . 1 . . . . 129 A HN . 17474 1 394 . 1 1 129 129 ALA CA C 13 51.878 . . 1 . . . . 129 A CA . 17474 1 395 . 1 1 129 129 ALA CB C 13 18.311 . . 1 . . . . 129 A CB . 17474 1 396 . 1 1 129 129 ALA N N 15 121.817 . . 1 . . . . 129 A N . 17474 1 397 . 1 1 130 130 GLN H H 1 8.236 . . 1 . . . . 130 Q HN . 17474 1 398 . 1 1 130 130 GLN CA C 13 54.717 . . 1 . . . . 130 Q CA . 17474 1 399 . 1 1 130 130 GLN CB C 13 32.652 . . 1 . . . . 130 Q CB . 17474 1 400 . 1 1 130 130 GLN N N 15 118.730 . . 1 . . . . 130 Q N . 17474 1 401 . 1 1 131 131 ALA H H 1 9.129 . . 1 . . . . 131 A HN . 17474 1 402 . 1 1 131 131 ALA CA C 13 50.397 . . 1 . . . . 131 A CA . 17474 1 403 . 1 1 131 131 ALA CB C 13 23.217 . . 1 . . . . 131 A CB . 17474 1 404 . 1 1 131 131 ALA N N 15 120.674 . . 1 . . . . 131 A N . 17474 1 405 . 1 1 132 132 VAL H H 1 8.934 . . 1 . . . . 132 V HN . 17474 1 406 . 1 1 132 132 VAL CA C 13 60.414 . . 1 . . . . 132 V CA . 17474 1 407 . 1 1 132 132 VAL CB C 13 33.296 . . 1 . . . . 132 V CB . 17474 1 408 . 1 1 132 132 VAL N N 15 121.346 . . 1 . . . . 132 V N . 17474 1 409 . 1 1 133 133 VAL H H 1 8.932 . . 1 . . . . 133 V HN . 17474 1 410 . 1 1 133 133 VAL CA C 13 60.206 . . 1 . . . . 133 V CA . 17474 1 411 . 1 1 133 133 VAL CB C 13 33.216 . . 1 . . . . 133 V CB . 17474 1 412 . 1 1 133 133 VAL N N 15 124.397 . . 1 . . . . 133 V N . 17474 1 413 . 1 1 134 134 LEU H H 1 8.101 . . 1 . . . . 134 L HN . 17474 1 414 . 1 1 134 134 LEU CA C 13 53.073 . . 1 . . . . 134 L CA . 17474 1 415 . 1 1 134 134 LEU CB C 13 43.688 . . 1 . . . . 134 L CB . 17474 1 416 . 1 1 134 134 LEU N N 15 127.066 . . 1 . . . . 134 L N . 17474 1 417 . 1 1 135 135 VAL H H 1 8.095 . . 1 . . . . 135 V HN . 17474 1 418 . 1 1 135 135 VAL CA C 13 60.945 . . 1 . . . . 135 V CA . 17474 1 419 . 1 1 135 135 VAL CB C 13 43.703 . . 1 . . . . 135 V CB . 17474 1 420 . 1 1 135 135 VAL N N 15 125.485 . . 1 . . . . 135 V N . 17474 1 421 . 1 1 136 136 LEU H H 1 8.240 . . 1 . . . . 136 L HN . 17474 1 422 . 1 1 136 136 LEU CA C 13 53.172 . . 1 . . . . 136 L CA . 17474 1 423 . 1 1 136 136 LEU CB C 13 42.575 . . 1 . . . . 136 L CB . 17474 1 424 . 1 1 136 136 LEU N N 15 127.031 . . 1 . . . . 136 L N . 17474 1 425 . 1 1 137 137 GLU H H 1 7.964 . . 1 . . . . 137 E HN . 17474 1 426 . 1 1 137 137 GLU CA C 13 58.141 . . 1 . . . . 137 E CA . 17474 1 427 . 1 1 137 137 GLU CB C 13 30.618 . . 1 . . . . 137 E CB . 17474 1 428 . 1 1 137 137 GLU N N 15 124.003 . . 1 . . . . 137 E N . 17474 1 stop_ save_