data_16749 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16749 _Entry.Title ; Backbone Assignments of the PX Domain of Noxo1b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-02 _Entry.Accession_date 2010-03-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Nicole Davis . Y. . 16749 2 David Horita . A. . 16749 3 Linda McPhail . C . 16749 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16749 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 16749 '15N chemical shifts' 128 16749 '1H chemical shifts' 128 16749 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 3 . . 2012-03-14 2010-03-02 update BMRB 'update entry citation' 16749 2 . . 2011-05-18 2010-03-02 update BMRB 'update entry citation' 16749 1 . . 2011-03-08 2010-03-02 original author 'original release' 16749 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17343 NOXO1b 16749 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16749 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21188560 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 15N, and 13C resonance assignments for the NOXO1 PX domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _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 139 _Citation.Page_last 141 _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 Nicole Davis . Y. . 16749 1 2 Linda McPhail . C. . 16749 1 3 David Horita . A. . 16749 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16749 _Assembly.ID 1 _Assembly.Name 'Noxo1b PX domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Noxo1b PX' 1 $Noxo1b_PX A . yes native no no . . . 16749 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Noxo1b_PX _Entity.Sf_category entity _Entity.Sf_framecode Noxo1b_PX _Entity.Entry_ID 16749 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Noxo1b_PX _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 ; GPLGSMAGPRYPVSVQGAAL VQIKRLQTFAFSVRWSDGSD TFVRRSWDEFRQLKKTLKET FPVEAGLLRRSDRVLPKLLD APLLGRVGRTSRGLARLQLL ETYSRRLLATAERVARSPTI TGFFAPQPLDLEPALPPGSR VILPTPEEQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 1-5 are non-native affinity tag' _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 149 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17343 . NOXO1b . . . . . 100.00 149 100.00 100.00 1.64e-97 . . . . 16749 1 2 no PDB 2L73 . "Structure Of The Noxo1b Px Domain" . . . . . 100.00 149 100.00 100.00 1.64e-97 . . . . 16749 1 3 no DBJ BAC76711 . "NADPH oxidase organizer 1 [Homo sapiens]" . . . . . 96.64 371 100.00 100.00 1.95e-90 . . . . 16749 1 4 no DBJ BAF84886 . "unnamed protein product [Homo sapiens]" . . . . . 96.64 371 100.00 100.00 2.40e-90 . . . . 16749 1 5 no DBJ BAI47049 . "NADPH oxidase organizer 1 [synthetic construct]" . . . . . 96.64 371 100.00 100.00 1.95e-90 . . . . 16749 1 6 no GB AAH15917 . "NADPH oxidase organizer 1 [Homo sapiens]" . . . . . 96.64 370 99.31 99.31 9.02e-88 . . . . 16749 1 7 no GB AAM97925 . "regulatory protein NOXO1-alpha [Homo sapiens]" . . . . . 96.64 370 99.31 99.31 9.02e-88 . . . . 16749 1 8 no GB AAM97926 . "regulatory protein NOXO1-beta [Homo sapiens]" . . . . . 96.64 371 100.00 100.00 1.95e-90 . . . . 16749 1 9 no GB AAN75141 . "NADPH oxidase organizer 1 [Homo sapiens]" . . . . . 96.64 371 100.00 100.00 1.95e-90 . . . . 16749 1 10 no GB AAP13479 . "NADPH oxidase regulatory protein [Homo sapiens]" . . . . . 96.64 370 99.31 99.31 9.02e-88 . . . . 16749 1 11 no REF NP_653204 . "NADPH oxidase organizer 1 isoform a [Homo sapiens]" . . . . . 96.64 370 99.31 99.31 9.02e-88 . . . . 16749 1 12 no REF NP_751907 . "NADPH oxidase organizer 1 isoform b [Homo sapiens]" . . . . . 96.64 371 100.00 100.00 1.95e-90 . . . . 16749 1 13 no REF XP_008958072 . "PREDICTED: NADPH oxidase organizer 1 isoform X3 [Pan paniscus]" . . . . . 95.97 371 100.00 100.00 1.27e-89 . . . . 16749 1 14 no REF XP_012352685 . "PREDICTED: NADPH oxidase organizer 1 isoform X3 [Nomascus leucogenys]" . . . . . 95.97 370 97.90 98.60 2.52e-87 . . . . 16749 1 15 no REF XP_012352686 . "PREDICTED: NADPH oxidase organizer 1 isoform X4 [Nomascus leucogenys]" . . . . . 95.97 369 97.20 97.90 1.18e-84 . . . . 16749 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 . 16749 1 2 . PRO . 16749 1 3 . LEU . 16749 1 4 . GLY . 16749 1 5 . SER . 16749 1 6 . MET . 16749 1 7 . ALA . 16749 1 8 . GLY . 16749 1 9 . PRO . 16749 1 10 . ARG . 16749 1 11 . TYR . 16749 1 12 . PRO . 16749 1 13 . VAL . 16749 1 14 . SER . 16749 1 15 . VAL . 16749 1 16 . GLN . 16749 1 17 . GLY . 16749 1 18 . ALA . 16749 1 19 . ALA . 16749 1 20 . LEU . 16749 1 21 . VAL . 16749 1 22 . GLN . 16749 1 23 . ILE . 16749 1 24 . LYS . 16749 1 25 . ARG . 16749 1 26 . LEU . 16749 1 27 . GLN . 16749 1 28 . THR . 16749 1 29 . PHE . 16749 1 30 . ALA . 16749 1 31 . PHE . 16749 1 32 . SER . 16749 1 33 . VAL . 16749 1 34 . ARG . 16749 1 35 . TRP . 16749 1 36 . SER . 16749 1 37 . ASP . 16749 1 38 . GLY . 16749 1 39 . SER . 16749 1 40 . ASP . 16749 1 41 . THR . 16749 1 42 . PHE . 16749 1 43 . VAL . 16749 1 44 . ARG . 16749 1 45 . ARG . 16749 1 46 . SER . 16749 1 47 . TRP . 16749 1 48 . ASP . 16749 1 49 . GLU . 16749 1 50 . PHE . 16749 1 51 . ARG . 16749 1 52 . GLN . 16749 1 53 . LEU . 16749 1 54 . LYS . 16749 1 55 . LYS . 16749 1 56 . THR . 16749 1 57 . LEU . 16749 1 58 . LYS . 16749 1 59 . GLU . 16749 1 60 . THR . 16749 1 61 . PHE . 16749 1 62 . PRO . 16749 1 63 . VAL . 16749 1 64 . GLU . 16749 1 65 . ALA . 16749 1 66 . GLY . 16749 1 67 . LEU . 16749 1 68 . LEU . 16749 1 69 . ARG . 16749 1 70 . ARG . 16749 1 71 . SER . 16749 1 72 . ASP . 16749 1 73 . ARG . 16749 1 74 . VAL . 16749 1 75 . LEU . 16749 1 76 . PRO . 16749 1 77 . LYS . 16749 1 78 . LEU . 16749 1 79 . LEU . 16749 1 80 . ASP . 16749 1 81 . ALA . 16749 1 82 . PRO . 16749 1 83 . LEU . 16749 1 84 . LEU . 16749 1 85 . GLY . 16749 1 86 . ARG . 16749 1 87 . VAL . 16749 1 88 . GLY . 16749 1 89 . ARG . 16749 1 90 . THR . 16749 1 91 . SER . 16749 1 92 . ARG . 16749 1 93 . GLY . 16749 1 94 . LEU . 16749 1 95 . ALA . 16749 1 96 . ARG . 16749 1 97 . LEU . 16749 1 98 . GLN . 16749 1 99 . LEU . 16749 1 100 . LEU . 16749 1 101 . GLU . 16749 1 102 . THR . 16749 1 103 . TYR . 16749 1 104 . SER . 16749 1 105 . ARG . 16749 1 106 . ARG . 16749 1 107 . LEU . 16749 1 108 . LEU . 16749 1 109 . ALA . 16749 1 110 . THR . 16749 1 111 . ALA . 16749 1 112 . GLU . 16749 1 113 . ARG . 16749 1 114 . VAL . 16749 1 115 . ALA . 16749 1 116 . ARG . 16749 1 117 . SER . 16749 1 118 . PRO . 16749 1 119 . THR . 16749 1 120 . ILE . 16749 1 121 . THR . 16749 1 122 . GLY . 16749 1 123 . PHE . 16749 1 124 . PHE . 16749 1 125 . ALA . 16749 1 126 . PRO . 16749 1 127 . GLN . 16749 1 128 . PRO . 16749 1 129 . LEU . 16749 1 130 . ASP . 16749 1 131 . LEU . 16749 1 132 . GLU . 16749 1 133 . PRO . 16749 1 134 . ALA . 16749 1 135 . LEU . 16749 1 136 . PRO . 16749 1 137 . PRO . 16749 1 138 . GLY . 16749 1 139 . SER . 16749 1 140 . ARG . 16749 1 141 . VAL . 16749 1 142 . ILE . 16749 1 143 . LEU . 16749 1 144 . PRO . 16749 1 145 . THR . 16749 1 146 . PRO . 16749 1 147 . GLU . 16749 1 148 . GLU . 16749 1 149 . GLN . 16749 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 16749 1 . PRO 2 2 16749 1 . LEU 3 3 16749 1 . GLY 4 4 16749 1 . SER 5 5 16749 1 . MET 6 6 16749 1 . ALA 7 7 16749 1 . GLY 8 8 16749 1 . PRO 9 9 16749 1 . ARG 10 10 16749 1 . TYR 11 11 16749 1 . PRO 12 12 16749 1 . VAL 13 13 16749 1 . SER 14 14 16749 1 . VAL 15 15 16749 1 . GLN 16 16 16749 1 . GLY 17 17 16749 1 . ALA 18 18 16749 1 . ALA 19 19 16749 1 . LEU 20 20 16749 1 . VAL 21 21 16749 1 . GLN 22 22 16749 1 . ILE 23 23 16749 1 . LYS 24 24 16749 1 . ARG 25 25 16749 1 . LEU 26 26 16749 1 . GLN 27 27 16749 1 . THR 28 28 16749 1 . PHE 29 29 16749 1 . ALA 30 30 16749 1 . PHE 31 31 16749 1 . SER 32 32 16749 1 . VAL 33 33 16749 1 . ARG 34 34 16749 1 . TRP 35 35 16749 1 . SER 36 36 16749 1 . ASP 37 37 16749 1 . GLY 38 38 16749 1 . SER 39 39 16749 1 . ASP 40 40 16749 1 . THR 41 41 16749 1 . PHE 42 42 16749 1 . VAL 43 43 16749 1 . ARG 44 44 16749 1 . ARG 45 45 16749 1 . SER 46 46 16749 1 . TRP 47 47 16749 1 . ASP 48 48 16749 1 . GLU 49 49 16749 1 . PHE 50 50 16749 1 . ARG 51 51 16749 1 . GLN 52 52 16749 1 . LEU 53 53 16749 1 . LYS 54 54 16749 1 . LYS 55 55 16749 1 . THR 56 56 16749 1 . LEU 57 57 16749 1 . LYS 58 58 16749 1 . GLU 59 59 16749 1 . THR 60 60 16749 1 . PHE 61 61 16749 1 . PRO 62 62 16749 1 . VAL 63 63 16749 1 . GLU 64 64 16749 1 . ALA 65 65 16749 1 . GLY 66 66 16749 1 . LEU 67 67 16749 1 . LEU 68 68 16749 1 . ARG 69 69 16749 1 . ARG 70 70 16749 1 . SER 71 71 16749 1 . ASP 72 72 16749 1 . ARG 73 73 16749 1 . VAL 74 74 16749 1 . LEU 75 75 16749 1 . PRO 76 76 16749 1 . LYS 77 77 16749 1 . LEU 78 78 16749 1 . LEU 79 79 16749 1 . ASP 80 80 16749 1 . ALA 81 81 16749 1 . PRO 82 82 16749 1 . LEU 83 83 16749 1 . LEU 84 84 16749 1 . GLY 85 85 16749 1 . ARG 86 86 16749 1 . VAL 87 87 16749 1 . GLY 88 88 16749 1 . ARG 89 89 16749 1 . THR 90 90 16749 1 . SER 91 91 16749 1 . ARG 92 92 16749 1 . GLY 93 93 16749 1 . LEU 94 94 16749 1 . ALA 95 95 16749 1 . ARG 96 96 16749 1 . LEU 97 97 16749 1 . GLN 98 98 16749 1 . LEU 99 99 16749 1 . LEU 100 100 16749 1 . GLU 101 101 16749 1 . THR 102 102 16749 1 . TYR 103 103 16749 1 . SER 104 104 16749 1 . ARG 105 105 16749 1 . ARG 106 106 16749 1 . LEU 107 107 16749 1 . LEU 108 108 16749 1 . ALA 109 109 16749 1 . THR 110 110 16749 1 . ALA 111 111 16749 1 . GLU 112 112 16749 1 . ARG 113 113 16749 1 . VAL 114 114 16749 1 . ALA 115 115 16749 1 . ARG 116 116 16749 1 . SER 117 117 16749 1 . PRO 118 118 16749 1 . THR 119 119 16749 1 . ILE 120 120 16749 1 . THR 121 121 16749 1 . GLY 122 122 16749 1 . PHE 123 123 16749 1 . PHE 124 124 16749 1 . ALA 125 125 16749 1 . PRO 126 126 16749 1 . GLN 127 127 16749 1 . PRO 128 128 16749 1 . LEU 129 129 16749 1 . ASP 130 130 16749 1 . LEU 131 131 16749 1 . GLU 132 132 16749 1 . PRO 133 133 16749 1 . ALA 134 134 16749 1 . LEU 135 135 16749 1 . PRO 136 136 16749 1 . PRO 137 137 16749 1 . GLY 138 138 16749 1 . SER 139 139 16749 1 . ARG 140 140 16749 1 . VAL 141 141 16749 1 . ILE 142 142 16749 1 . LEU 143 143 16749 1 . PRO 144 144 16749 1 . THR 145 145 16749 1 . PRO 146 146 16749 1 . GLU 147 147 16749 1 . GLU 148 148 16749 1 . GLN 149 149 16749 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 16749 _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 $Noxo1b_PX . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16749 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 16749 _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 $Noxo1b_PX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6P-1 . . . . . . 16749 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16749 _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 'Noxo1b PX' '[U-13C; U-15N; U-2H]' . . 1 $Noxo1b_PX . . 500 . . uM . . . . 16749 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 16749 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16749 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 16749 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16749 1 6 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 16749 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16749 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 16749 _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' 100 . mM 16749 1 pH 6.9 . pH 16749 1 pressure 1 . atm 16749 1 temperature 293 . K 16749 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16749 _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' . . 16749 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16749 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16749 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16749 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16749 2 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 16749 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16749 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16749 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 16749 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16749 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16749 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16749 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16749 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16749 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16749 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16749 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 16749 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 external direct 1 . . . . . . . . . 16749 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 16749 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 16749 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 16749 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16749 1 2 '3D HNCO' . . . 16749 1 3 '3D HNCA' . . . 16749 1 4 '3D HNCACB' . . . 16749 1 5 '3D HN(CO)CA' . . . 16749 1 6 '3D HCACO' . . . 16749 1 7 '3D HN(COCA)CB' . . . 16749 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 PRO C C 13 176.9390 0.4 . 1 . . . . 2 PRO C . 16749 1 2 . 1 1 2 2 PRO CA C 13 62.5050 0.4 . 1 . . . . 2 PRO CA . 16749 1 3 . 1 1 2 2 PRO CB C 13 31.2510 0.4 . 1 . . . . 2 PRO CB . 16749 1 4 . 1 1 3 3 LEU H H 1 8.3940 0.05 . 1 . . . . 3 LEU HN . 16749 1 5 . 1 1 3 3 LEU C C 13 177.8810 0.4 . 1 . . . . 3 LEU C . 16749 1 6 . 1 1 3 3 LEU CA C 13 54.8310 0.4 . 1 . . . . 3 LEU CA . 16749 1 7 . 1 1 3 3 LEU CB C 13 41.0660 0.4 . 1 . . . . 3 LEU CB . 16749 1 8 . 1 1 3 3 LEU N N 15 122.0960 0.1 . 1 . . . . 3 LEU N . 16749 1 9 . 1 1 4 4 GLY H H 1 8.2750 0.05 . 1 . . . . 4 GLY HN . 16749 1 10 . 1 1 4 4 GLY C C 13 174.1420 0.4 . 1 . . . . 4 GLY C . 16749 1 11 . 1 1 4 4 GLY CA C 13 44.7470 0.4 . 1 . . . . 4 GLY CA . 16749 1 12 . 1 1 4 4 GLY N N 15 109.4920 0.1 . 1 . . . . 4 GLY N . 16749 1 13 . 1 1 5 5 SER H H 1 8.1110 0.05 . 1 . . . . 5 SER HN . 16749 1 14 . 1 1 5 5 SER C C 13 174.6230 0.4 . 1 . . . . 5 SER C . 16749 1 15 . 1 1 5 5 SER CA C 13 57.8310 0.4 . 1 . . . . 5 SER CA . 16749 1 16 . 1 1 5 5 SER CB C 13 62.9320 0.4 . 1 . . . . 5 SER CB . 16749 1 17 . 1 1 5 5 SER N N 15 115.4410 0.1 . 1 . . . . 5 SER N . 16749 1 18 . 1 1 6 6 MET H H 1 8.3010 0.05 . 1 . . . . 6 MET HN . 16749 1 19 . 1 1 6 6 MET C C 13 175.7100 0.4 . 1 . . . . 6 MET C . 16749 1 20 . 1 1 6 6 MET CA C 13 54.8320 0.4 . 1 . . . . 6 MET CA . 16749 1 21 . 1 1 6 6 MET CB C 13 31.8700 0.4 . 1 . . . . 6 MET CB . 16749 1 22 . 1 1 6 6 MET N N 15 121.8650 0.1 . 1 . . . . 6 MET N . 16749 1 23 . 1 1 7 7 ALA H H 1 8.1080 0.05 . 1 . . . . 7 ALA HN . 16749 1 24 . 1 1 7 7 ALA C C 13 177.6220 0.4 . 1 . . . . 7 ALA C . 16749 1 25 . 1 1 7 7 ALA CA C 13 51.8420 0.4 . 1 . . . . 7 ALA CA . 16749 1 26 . 1 1 7 7 ALA CB C 13 18.6360 0.4 . 1 . . . . 7 ALA CB . 16749 1 27 . 1 1 7 7 ALA N N 15 124.6190 0.1 . 1 . . . . 7 ALA N . 16749 1 28 . 1 1 8 8 GLY H H 1 8.0340 0.05 . 1 . . . . 8 GLY HN . 16749 1 29 . 1 1 8 8 GLY C C 13 171.3720 0.4 . 1 . . . . 8 GLY C . 16749 1 30 . 1 1 8 8 GLY CA C 13 43.8100 0.4 . 1 . . . . 8 GLY CA . 16749 1 31 . 1 1 8 8 GLY N N 15 108.0230 0.1 . 1 . . . . 8 GLY N . 16749 1 32 . 1 1 9 9 PRO C C 13 176.6300 0.4 . 1 . . . . 9 PRO C . 16749 1 33 . 1 1 9 9 PRO CA C 13 62.3320 0.4 . 1 . . . . 9 PRO CA . 16749 1 34 . 1 1 9 9 PRO CB C 13 31.0980 0.4 . 1 . . . . 9 PRO CB . 16749 1 35 . 1 1 10 10 ARG H H 1 8.2320 0.05 . 1 . . . . 10 ARG HN . 16749 1 36 . 1 1 10 10 ARG C C 13 174.3680 0.4 . 1 . . . . 10 ARG C . 16749 1 37 . 1 1 10 10 ARG CA C 13 55.2350 0.4 . 1 . . . . 10 ARG CA . 16749 1 38 . 1 1 10 10 ARG CB C 13 30.0740 0.4 . 1 . . . . 10 ARG CB . 16749 1 39 . 1 1 10 10 ARG N N 15 120.6480 0.1 . 1 . . . . 10 ARG N . 16749 1 40 . 1 1 11 11 TYR H H 1 8.3560 0.05 . 1 . . . . 11 TYR HN . 16749 1 41 . 1 1 11 11 TYR C C 13 172.1920 0.4 . 1 . . . . 11 TYR C . 16749 1 42 . 1 1 11 11 TYR CA C 13 53.6140 0.4 . 1 . . . . 11 TYR CA . 16749 1 43 . 1 1 11 11 TYR CB C 13 37.1410 0.4 . 1 . . . . 11 TYR CB . 16749 1 44 . 1 1 11 11 TYR N N 15 118.8950 0.1 . 1 . . . . 11 TYR N . 16749 1 45 . 1 1 12 12 PRO C C 13 174.9080 0.4 . 1 . . . . 12 PRO C . 16749 1 46 . 1 1 12 12 PRO CA C 13 61.8760 0.4 . 1 . . . . 12 PRO CA . 16749 1 47 . 1 1 12 12 PRO CB C 13 29.2390 0.4 . 1 . . . . 12 PRO CB . 16749 1 48 . 1 1 13 13 VAL H H 1 8.9110 0.05 . 1 . . . . 13 VAL HN . 16749 1 49 . 1 1 13 13 VAL C C 13 176.1450 0.4 . 1 . . . . 13 VAL C . 16749 1 50 . 1 1 13 13 VAL CA C 13 60.7140 0.4 . 1 . . . . 13 VAL CA . 16749 1 51 . 1 1 13 13 VAL CB C 13 32.3940 0.4 . 1 . . . . 13 VAL CB . 16749 1 52 . 1 1 13 13 VAL N N 15 114.4210 0.1 . 1 . . . . 13 VAL N . 16749 1 53 . 1 1 14 14 SER H H 1 7.3850 0.05 . 1 . . . . 14 SER HN . 16749 1 54 . 1 1 14 14 SER C C 13 171.6900 0.4 . 1 . . . . 14 SER C . 16749 1 55 . 1 1 14 14 SER CA C 13 57.1560 0.4 . 1 . . . . 14 SER CA . 16749 1 56 . 1 1 14 14 SER CB C 13 63.4040 0.4 . 1 . . . . 14 SER CB . 16749 1 57 . 1 1 14 14 SER N N 15 113.9120 0.1 . 1 . . . . 14 SER N . 16749 1 58 . 1 1 15 15 VAL H H 1 7.7290 0.05 . 1 . . . . 15 VAL HN . 16749 1 59 . 1 1 15 15 VAL C C 13 173.3360 0.4 . 1 . . . . 15 VAL C . 16749 1 60 . 1 1 15 15 VAL CA C 13 59.8530 0.4 . 1 . . . . 15 VAL CA . 16749 1 61 . 1 1 15 15 VAL CB C 13 34.8660 0.4 . 1 . . . . 15 VAL CB . 16749 1 62 . 1 1 15 15 VAL N N 15 119.7560 0.1 . 1 . . . . 15 VAL N . 16749 1 63 . 1 1 16 16 GLN H H 1 8.8860 0.05 . 1 . . . . 16 GLN HN . 16749 1 64 . 1 1 16 16 GLN C C 13 176.0160 0.4 . 1 . . . . 16 GLN C . 16749 1 65 . 1 1 16 16 GLN CA C 13 53.6670 0.4 . 1 . . . . 16 GLN CA . 16749 1 66 . 1 1 16 16 GLN CB C 13 31.2720 0.4 . 1 . . . . 16 GLN CB . 16749 1 67 . 1 1 16 16 GLN N N 15 124.2150 0.1 . 1 . . . . 16 GLN N . 16749 1 68 . 1 1 18 18 ALA H H 1 9.2370 0.05 . 1 . . . . 18 ALA HN . 16749 1 69 . 1 1 18 18 ALA CA C 13 52.4560 0.4 . 1 . . . . 18 ALA CA . 16749 1 70 . 1 1 18 18 ALA N N 15 131.0820 0.1 . 1 . . . . 18 ALA N . 16749 1 71 . 1 1 19 19 ALA H H 1 7.4360 0.05 . 1 . . . . 19 ALA HN . 16749 1 72 . 1 1 19 19 ALA C C 13 174.3640 0.4 . 1 . . . . 19 ALA C . 16749 1 73 . 1 1 19 19 ALA CA C 13 52.0070 0.4 . 1 . . . . 19 ALA CA . 16749 1 74 . 1 1 19 19 ALA N N 15 113.1520 0.1 . 1 . . . . 19 ALA N . 16749 1 75 . 1 1 20 20 LEU H H 1 8.8080 0.05 . 1 . . . . 20 LEU HN . 16749 1 76 . 1 1 20 20 LEU C C 13 173.7630 0.4 . 1 . . . . 20 LEU C . 16749 1 77 . 1 1 20 20 LEU CA C 13 53.3490 0.4 . 1 . . . . 20 LEU CA . 16749 1 78 . 1 1 20 20 LEU CB C 13 43.5980 0.4 . 1 . . . . 20 LEU CB . 16749 1 79 . 1 1 20 20 LEU N N 15 122.7640 0.1 . 1 . . . . 20 LEU N . 16749 1 80 . 1 1 21 21 VAL H H 1 8.6750 0.05 . 1 . . . . 21 VAL HN . 16749 1 81 . 1 1 21 21 VAL C C 13 174.1600 0.4 . 1 . . . . 21 VAL C . 16749 1 82 . 1 1 21 21 VAL CA C 13 60.5540 0.4 . 1 . . . . 21 VAL CA . 16749 1 83 . 1 1 21 21 VAL CB C 13 31.3730 0.4 . 1 . . . . 21 VAL CB . 16749 1 84 . 1 1 21 21 VAL N N 15 127.0440 0.1 . 1 . . . . 21 VAL N . 16749 1 85 . 1 1 22 22 GLN H H 1 8.9430 0.05 . 1 . . . . 22 GLN HN . 16749 1 86 . 1 1 22 22 GLN C C 13 174.9530 0.4 . 1 . . . . 22 GLN C . 16749 1 87 . 1 1 22 22 GLN CA C 13 53.5680 0.4 . 1 . . . . 22 GLN CA . 16749 1 88 . 1 1 22 22 GLN CB C 13 30.2210 0.4 . 1 . . . . 22 GLN CB . 16749 1 89 . 1 1 22 22 GLN N N 15 127.2950 0.1 . 1 . . . . 22 GLN N . 16749 1 90 . 1 1 23 23 ILE H H 1 8.5020 0.05 . 1 . . . . 23 ILE HN . 16749 1 91 . 1 1 23 23 ILE C C 13 175.4290 0.4 . 1 . . . . 23 ILE C . 16749 1 92 . 1 1 23 23 ILE CA C 13 60.3500 0.4 . 1 . . . . 23 ILE CA . 16749 1 93 . 1 1 23 23 ILE CB C 13 38.3480 0.4 . 1 . . . . 23 ILE CB . 16749 1 94 . 1 1 23 23 ILE N N 15 127.0950 0.1 . 1 . . . . 23 ILE N . 16749 1 95 . 1 1 24 24 LYS H H 1 9.0110 0.05 . 1 . . . . 24 LYS HN . 16749 1 96 . 1 1 24 24 LYS C C 13 176.3480 0.4 . 1 . . . . 24 LYS C . 16749 1 97 . 1 1 24 24 LYS CA C 13 58.2400 0.4 . 1 . . . . 24 LYS CA . 16749 1 98 . 1 1 24 24 LYS CB C 13 28.6650 0.4 . 1 . . . . 24 LYS CB . 16749 1 99 . 1 1 24 24 LYS N N 15 125.7950 0.1 . 1 . . . . 24 LYS N . 16749 1 100 . 1 1 25 25 ARG H H 1 8.1860 0.05 . 1 . . . . 25 ARG HN . 16749 1 101 . 1 1 25 25 ARG C C 13 175.7840 0.4 . 1 . . . . 25 ARG C . 16749 1 102 . 1 1 25 25 ARG CA C 13 56.4920 0.4 . 1 . . . . 25 ARG CA . 16749 1 103 . 1 1 25 25 ARG CB C 13 28.7390 0.4 . 1 . . . . 25 ARG CB . 16749 1 104 . 1 1 25 25 ARG N N 15 119.5460 0.1 . 1 . . . . 25 ARG N . 16749 1 105 . 1 1 26 26 LEU H H 1 8.0390 0.05 . 1 . . . . 26 LEU HN . 16749 1 106 . 1 1 26 26 LEU C C 13 176.0030 0.4 . 1 . . . . 26 LEU C . 16749 1 107 . 1 1 26 26 LEU CA C 13 54.3110 0.4 . 1 . . . . 26 LEU CA . 16749 1 108 . 1 1 26 26 LEU CB C 13 41.6420 0.4 . 1 . . . . 26 LEU CB . 16749 1 109 . 1 1 26 26 LEU N N 15 122.1330 0.1 . 1 . . . . 26 LEU N . 16749 1 110 . 1 1 27 27 GLN H H 1 8.6550 0.05 . 1 . . . . 27 GLN HN . 16749 1 111 . 1 1 27 27 GLN C C 13 175.3270 0.4 . 1 . . . . 27 GLN C . 16749 1 112 . 1 1 27 27 GLN CA C 13 54.2010 0.4 . 1 . . . . 27 GLN CA . 16749 1 113 . 1 1 27 27 GLN CB C 13 29.6300 0.4 . 1 . . . . 27 GLN CB . 16749 1 114 . 1 1 27 27 GLN N N 15 123.5030 0.1 . 1 . . . . 27 GLN N . 16749 1 115 . 1 1 28 28 THR H H 1 8.8490 0.05 . 1 . . . . 28 THR HN . 16749 1 116 . 1 1 28 28 THR C C 13 175.2890 0.4 . 1 . . . . 28 THR C . 16749 1 117 . 1 1 28 28 THR CA C 13 59.4240 0.4 . 1 . . . . 28 THR CA . 16749 1 118 . 1 1 28 28 THR CB C 13 71.6520 0.4 . 1 . . . . 28 THR CB . 16749 1 119 . 1 1 28 28 THR N N 15 116.6640 0.1 . 1 . . . . 28 THR N . 16749 1 120 . 1 1 29 29 PHE H H 1 8.5580 0.05 . 1 . . . . 29 PHE HN . 16749 1 121 . 1 1 29 29 PHE C C 13 172.9450 0.4 . 1 . . . . 29 PHE C . 16749 1 122 . 1 1 29 29 PHE CA C 13 56.8760 0.4 . 1 . . . . 29 PHE CA . 16749 1 123 . 1 1 29 29 PHE CB C 13 40.5960 0.4 . 1 . . . . 29 PHE CB . 16749 1 124 . 1 1 29 29 PHE N N 15 118.7940 0.1 . 1 . . . . 29 PHE N . 16749 1 125 . 1 1 30 30 ALA H H 1 8.9070 0.05 . 1 . . . . 30 ALA HN . 16749 1 126 . 1 1 30 30 ALA C C 13 176.1720 0.4 . 1 . . . . 30 ALA C . 16749 1 127 . 1 1 30 30 ALA CA C 13 49.1180 0.4 . 1 . . . . 30 ALA CA . 16749 1 128 . 1 1 30 30 ALA CB C 13 20.1330 0.4 . 1 . . . . 30 ALA CB . 16749 1 129 . 1 1 30 30 ALA N N 15 125.2880 0.1 . 1 . . . . 30 ALA N . 16749 1 130 . 1 1 31 31 PHE H H 1 9.3790 0.05 . 1 . . . . 31 PHE HN . 16749 1 131 . 1 1 31 31 PHE C C 13 174.7810 0.4 . 1 . . . . 31 PHE C . 16749 1 132 . 1 1 31 31 PHE CA C 13 56.2750 0.4 . 1 . . . . 31 PHE CA . 16749 1 133 . 1 1 31 31 PHE CB C 13 41.7060 0.4 . 1 . . . . 31 PHE CB . 16749 1 134 . 1 1 31 31 PHE N N 15 118.5980 0.1 . 1 . . . . 31 PHE N . 16749 1 135 . 1 1 32 32 SER H H 1 9.0250 0.05 . 1 . . . . 32 SER HN . 16749 1 136 . 1 1 32 32 SER C C 13 173.9510 0.4 . 1 . . . . 32 SER C . 16749 1 137 . 1 1 32 32 SER CA C 13 56.2100 0.4 . 1 . . . . 32 SER CA . 16749 1 138 . 1 1 32 32 SER CB C 13 63.5000 0.4 . 1 . . . . 32 SER CB . 16749 1 139 . 1 1 32 32 SER N N 15 115.9340 0.1 . 1 . . . . 32 SER N . 16749 1 140 . 1 1 33 33 VAL H H 1 9.2330 0.05 . 1 . . . . 33 VAL HN . 16749 1 141 . 1 1 33 33 VAL C C 13 174.0280 0.4 . 1 . . . . 33 VAL C . 16749 1 142 . 1 1 33 33 VAL CA C 13 60.4340 0.4 . 1 . . . . 33 VAL CA . 16749 1 143 . 1 1 33 33 VAL CB C 13 32.4730 0.4 . 1 . . . . 33 VAL CB . 16749 1 144 . 1 1 33 33 VAL N N 15 129.1440 0.1 . 1 . . . . 33 VAL N . 16749 1 145 . 1 1 34 34 ARG H H 1 8.1130 0.05 . 1 . . . . 34 ARG HN . 16749 1 146 . 1 1 34 34 ARG C C 13 176.1460 0.4 . 1 . . . . 34 ARG C . 16749 1 147 . 1 1 34 34 ARG CA C 13 53.1160 0.4 . 1 . . . . 34 ARG CA . 16749 1 148 . 1 1 34 34 ARG CB C 13 29.4500 0.4 . 1 . . . . 34 ARG CB . 16749 1 149 . 1 1 34 34 ARG N N 15 126.6760 0.1 . 1 . . . . 34 ARG N . 16749 1 150 . 1 1 35 35 TRP H H 1 9.0620 0.05 . 1 . . . . 35 TRP HN . 16749 1 151 . 1 1 35 35 TRP C C 13 179.0640 0.4 . 1 . . . . 35 TRP C . 16749 1 152 . 1 1 35 35 TRP CA C 13 56.2590 0.4 . 1 . . . . 35 TRP CA . 16749 1 153 . 1 1 35 35 TRP CB C 13 31.2600 0.4 . 1 . . . . 35 TRP CB . 16749 1 154 . 1 1 35 35 TRP N N 15 125.1540 0.1 . 1 . . . . 35 TRP N . 16749 1 155 . 1 1 36 36 SER H H 1 9.2200 0.05 . 1 . . . . 36 SER HN . 16749 1 156 . 1 1 36 36 SER C C 13 173.6470 0.4 . 1 . . . . 36 SER C . 16749 1 157 . 1 1 36 36 SER CA C 13 60.2630 0.4 . 1 . . . . 36 SER CA . 16749 1 158 . 1 1 36 36 SER CB C 13 61.2270 0.4 . 1 . . . . 36 SER CB . 16749 1 159 . 1 1 36 36 SER N N 15 117.7860 0.1 . 1 . . . . 36 SER N . 16749 1 160 . 1 1 37 37 ASP H H 1 7.4900 0.05 . 1 . . . . 37 ASP HN . 16749 1 161 . 1 1 37 37 ASP C C 13 176.6810 0.4 . 1 . . . . 37 ASP C . 16749 1 162 . 1 1 37 37 ASP CA C 13 52.3900 0.4 . 1 . . . . 37 ASP CA . 16749 1 163 . 1 1 37 37 ASP CB C 13 39.5650 0.4 . 1 . . . . 37 ASP CB . 16749 1 164 . 1 1 37 37 ASP N N 15 119.3000 0.1 . 1 . . . . 37 ASP N . 16749 1 165 . 1 1 38 38 GLY H H 1 8.1260 0.05 . 1 . . . . 38 GLY HN . 16749 1 166 . 1 1 38 38 GLY C C 13 173.4240 0.4 . 1 . . . . 38 GLY C . 16749 1 167 . 1 1 38 38 GLY CA C 13 44.5400 0.4 . 1 . . . . 38 GLY CA . 16749 1 168 . 1 1 38 38 GLY N N 15 108.1840 0.1 . 1 . . . . 38 GLY N . 16749 1 169 . 1 1 39 39 SER H H 1 7.7440 0.05 . 1 . . . . 39 SER HN . 16749 1 170 . 1 1 39 39 SER C C 13 171.9930 0.4 . 1 . . . . 39 SER C . 16749 1 171 . 1 1 39 39 SER CA C 13 57.9700 0.4 . 1 . . . . 39 SER CA . 16749 1 172 . 1 1 39 39 SER CB C 13 64.1150 0.4 . 1 . . . . 39 SER CB . 16749 1 173 . 1 1 39 39 SER N N 15 116.0470 0.1 . 1 . . . . 39 SER N . 16749 1 174 . 1 1 40 40 ASP H H 1 8.2280 0.05 . 1 . . . . 40 ASP HN . 16749 1 175 . 1 1 40 40 ASP C C 13 176.7330 0.4 . 1 . . . . 40 ASP C . 16749 1 176 . 1 1 40 40 ASP CA C 13 52.9190 0.4 . 1 . . . . 40 ASP CA . 16749 1 177 . 1 1 40 40 ASP CB C 13 43.9490 0.4 . 1 . . . . 40 ASP CB . 16749 1 178 . 1 1 40 40 ASP N N 15 118.2980 0.1 . 1 . . . . 40 ASP N . 16749 1 179 . 1 1 41 41 THR H H 1 9.5480 0.05 . 1 . . . . 41 THR HN . 16749 1 180 . 1 1 41 41 THR C C 13 172.5600 0.4 . 1 . . . . 41 THR C . 16749 1 181 . 1 1 41 41 THR CA C 13 59.3130 0.4 . 1 . . . . 41 THR CA . 16749 1 182 . 1 1 41 41 THR CB C 13 71.7210 0.4 . 1 . . . . 41 THR CB . 16749 1 183 . 1 1 41 41 THR N N 15 111.7670 0.1 . 1 . . . . 41 THR N . 16749 1 184 . 1 1 42 42 PHE H H 1 8.5860 0.05 . 1 . . . . 42 PHE HN . 16749 1 185 . 1 1 42 42 PHE C C 13 176.4700 0.4 . 1 . . . . 42 PHE C . 16749 1 186 . 1 1 42 42 PHE CA C 13 56.4840 0.4 . 1 . . . . 42 PHE CA . 16749 1 187 . 1 1 42 42 PHE CB C 13 40.8760 0.4 . 1 . . . . 42 PHE CB . 16749 1 188 . 1 1 42 42 PHE N N 15 120.8790 0.1 . 1 . . . . 42 PHE N . 16749 1 189 . 1 1 43 43 VAL H H 1 8.6770 0.05 . 1 . . . . 43 VAL HN . 16749 1 190 . 1 1 43 43 VAL C C 13 174.2930 0.4 . 1 . . . . 43 VAL C . 16749 1 191 . 1 1 43 43 VAL CA C 13 58.2350 0.4 . 1 . . . . 43 VAL CA . 16749 1 192 . 1 1 43 43 VAL CB C 13 34.9300 0.4 . 1 . . . . 43 VAL CB . 16749 1 193 . 1 1 43 43 VAL N N 15 116.1770 0.1 . 1 . . . . 43 VAL N . 16749 1 194 . 1 1 44 44 ARG H H 1 8.7280 0.05 . 1 . . . . 44 ARG HN . 16749 1 195 . 1 1 44 44 ARG C C 13 176.4210 0.4 . 1 . . . . 44 ARG C . 16749 1 196 . 1 1 44 44 ARG CA C 13 54.3680 0.4 . 1 . . . . 44 ARG CA . 16749 1 197 . 1 1 44 44 ARG CB C 13 31.6720 0.4 . 1 . . . . 44 ARG CB . 16749 1 198 . 1 1 44 44 ARG N N 15 123.0000 0.1 . 1 . . . . 44 ARG N . 16749 1 199 . 1 1 45 45 ARG H H 1 9.4540 0.05 . 1 . . . . 45 ARG HN . 16749 1 200 . 1 1 45 45 ARG C C 13 175.4420 0.4 . 1 . . . . 45 ARG C . 16749 1 201 . 1 1 45 45 ARG CA C 13 51.7910 0.4 . 1 . . . . 45 ARG CA . 16749 1 202 . 1 1 45 45 ARG CB C 13 34.9580 0.4 . 1 . . . . 45 ARG CB . 16749 1 203 . 1 1 45 45 ARG N N 15 125.8180 0.1 . 1 . . . . 45 ARG N . 16749 1 204 . 1 1 46 46 SER H H 1 10.0310 0.05 . 1 . . . . 46 SER HN . 16749 1 205 . 1 1 46 46 SER C C 13 175.5020 0.4 . 1 . . . . 46 SER C . 16749 1 206 . 1 1 46 46 SER CA C 13 56.4730 0.4 . 1 . . . . 46 SER CA . 16749 1 207 . 1 1 46 46 SER CB C 13 65.5510 0.4 . 1 . . . . 46 SER CB . 16749 1 208 . 1 1 46 46 SER N N 15 118.9800 0.1 . 1 . . . . 46 SER N . 16749 1 209 . 1 1 47 47 TRP H H 1 9.7470 0.05 . 1 . . . . 47 TRP HN . 16749 1 210 . 1 1 47 47 TRP C C 13 178.4000 0.4 . 1 . . . . 47 TRP C . 16749 1 211 . 1 1 47 47 TRP CA C 13 61.3020 0.4 . 1 . . . . 47 TRP CA . 16749 1 212 . 1 1 47 47 TRP CB C 13 28.8070 0.4 . 1 . . . . 47 TRP CB . 16749 1 213 . 1 1 47 47 TRP N N 15 121.3810 0.1 . 1 . . . . 47 TRP N . 16749 1 214 . 1 1 48 48 ASP H H 1 8.6260 0.05 . 1 . . . . 48 ASP HN . 16749 1 215 . 1 1 48 48 ASP C C 13 179.0590 0.4 . 1 . . . . 48 ASP C . 16749 1 216 . 1 1 48 48 ASP CA C 13 57.2360 0.4 . 1 . . . . 48 ASP CA . 16749 1 217 . 1 1 48 48 ASP CB C 13 39.8660 0.4 . 1 . . . . 48 ASP CB . 16749 1 218 . 1 1 48 48 ASP N N 15 116.4670 0.1 . 1 . . . . 48 ASP N . 16749 1 219 . 1 1 49 49 GLU H H 1 8.1040 0.05 . 1 . . . . 49 GLU HN . 16749 1 220 . 1 1 49 49 GLU C C 13 180.3300 0.4 . 1 . . . . 49 GLU C . 16749 1 221 . 1 1 49 49 GLU CA C 13 59.6470 0.4 . 1 . . . . 49 GLU CA . 16749 1 222 . 1 1 49 49 GLU CB C 13 28.2850 0.4 . 1 . . . . 49 GLU CB . 16749 1 223 . 1 1 49 49 GLU N N 15 120.4010 0.1 . 1 . . . . 49 GLU N . 16749 1 224 . 1 1 50 50 PHE H H 1 7.7760 0.05 . 1 . . . . 50 PHE HN . 16749 1 225 . 1 1 50 50 PHE C C 13 177.4440 0.4 . 1 . . . . 50 PHE C . 16749 1 226 . 1 1 50 50 PHE CA C 13 62.0620 0.4 . 1 . . . . 50 PHE CA . 16749 1 227 . 1 1 50 50 PHE CB C 13 37.9040 0.4 . 1 . . . . 50 PHE CB . 16749 1 228 . 1 1 50 50 PHE N N 15 120.5620 0.1 . 1 . . . . 50 PHE N . 16749 1 229 . 1 1 51 51 ARG H H 1 8.0200 0.05 . 1 . . . . 51 ARG HN . 16749 1 230 . 1 1 51 51 ARG C C 13 179.2050 0.4 . 1 . . . . 51 ARG C . 16749 1 231 . 1 1 51 51 ARG CA C 13 59.4410 0.4 . 1 . . . . 51 ARG CA . 16749 1 232 . 1 1 51 51 ARG CB C 13 28.2140 0.4 . 1 . . . . 51 ARG CB . 16749 1 233 . 1 1 51 51 ARG N N 15 119.5540 0.1 . 1 . . . . 51 ARG N . 16749 1 234 . 1 1 52 52 GLN H H 1 7.9430 0.05 . 1 . . . . 52 GLN HN . 16749 1 235 . 1 1 52 52 GLN C C 13 177.8050 0.4 . 1 . . . . 52 GLN C . 16749 1 236 . 1 1 52 52 GLN CA C 13 57.5570 0.4 . 1 . . . . 52 GLN CA . 16749 1 237 . 1 1 52 52 GLN CB C 13 27.0560 0.4 . 1 . . . . 52 GLN CB . 16749 1 238 . 1 1 52 52 GLN N N 15 119.3310 0.1 . 1 . . . . 52 GLN N . 16749 1 239 . 1 1 53 53 LEU H H 1 7.5530 0.05 . 1 . . . . 53 LEU HN . 16749 1 240 . 1 1 53 53 LEU C C 13 177.4510 0.4 . 1 . . . . 53 LEU C . 16749 1 241 . 1 1 53 53 LEU CA C 13 57.5180 0.4 . 1 . . . . 53 LEU CA . 16749 1 242 . 1 1 53 53 LEU CB C 13 39.1260 0.4 . 1 . . . . 53 LEU CB . 16749 1 243 . 1 1 53 53 LEU N N 15 123.9940 0.1 . 1 . . . . 53 LEU N . 16749 1 244 . 1 1 54 54 LYS H H 1 7.9920 0.05 . 1 . . . . 54 LYS HN . 16749 1 245 . 1 1 54 54 LYS C C 13 179.0390 0.4 . 1 . . . . 54 LYS C . 16749 1 246 . 1 1 54 54 LYS CA C 13 59.4070 0.4 . 1 . . . . 54 LYS CA . 16749 1 247 . 1 1 54 54 LYS CB C 13 30.2050 0.4 . 1 . . . . 54 LYS CB . 16749 1 248 . 1 1 54 54 LYS N N 15 118.8160 0.1 . 1 . . . . 54 LYS N . 16749 1 249 . 1 1 55 55 LYS H H 1 7.4730 0.05 . 1 . . . . 55 LYS HN . 16749 1 250 . 1 1 55 55 LYS C C 13 178.3520 0.4 . 1 . . . . 55 LYS C . 16749 1 251 . 1 1 55 55 LYS CA C 13 59.1060 0.4 . 1 . . . . 55 LYS CA . 16749 1 252 . 1 1 55 55 LYS CB C 13 31.4700 0.4 . 1 . . . . 55 LYS CB . 16749 1 253 . 1 1 55 55 LYS N N 15 120.5320 0.1 . 1 . . . . 55 LYS N . 16749 1 254 . 1 1 56 56 THR H H 1 8.4500 0.05 . 1 . . . . 56 THR HN . 16749 1 255 . 1 1 56 56 THR C C 13 178.2800 0.4 . 1 . . . . 56 THR C . 16749 1 256 . 1 1 56 56 THR CA C 13 65.8320 0.4 . 1 . . . . 56 THR CA . 16749 1 257 . 1 1 56 56 THR CB C 13 67.5890 0.4 . 1 . . . . 56 THR CB . 16749 1 258 . 1 1 56 56 THR N N 15 117.5790 0.1 . 1 . . . . 56 THR N . 16749 1 259 . 1 1 57 57 LEU H H 1 8.9520 0.05 . 1 . . . . 57 LEU HN . 16749 1 260 . 1 1 57 57 LEU C C 13 177.6450 0.4 . 1 . . . . 57 LEU C . 16749 1 261 . 1 1 57 57 LEU CA C 13 58.0740 0.4 . 1 . . . . 57 LEU CA . 16749 1 262 . 1 1 57 57 LEU CB C 13 40.7840 0.4 . 1 . . . . 57 LEU CB . 16749 1 263 . 1 1 57 57 LEU N N 15 124.2620 0.1 . 1 . . . . 57 LEU N . 16749 1 264 . 1 1 58 58 LYS H H 1 7.4470 0.05 . 1 . . . . 58 LYS HN . 16749 1 265 . 1 1 58 58 LYS C C 13 176.9670 0.4 . 1 . . . . 58 LYS C . 16749 1 266 . 1 1 58 58 LYS CA C 13 58.9480 0.4 . 1 . . . . 58 LYS CA . 16749 1 267 . 1 1 58 58 LYS CB C 13 31.0050 0.4 . 1 . . . . 58 LYS CB . 16749 1 268 . 1 1 58 58 LYS N N 15 118.4570 0.1 . 1 . . . . 58 LYS N . 16749 1 269 . 1 1 59 59 GLU H H 1 7.2960 0.05 . 1 . . . . 59 GLU HN . 16749 1 270 . 1 1 59 59 GLU C C 13 178.2570 0.4 . 1 . . . . 59 GLU C . 16749 1 271 . 1 1 59 59 GLU CA C 13 57.0880 0.4 . 1 . . . . 59 GLU CA . 16749 1 272 . 1 1 59 59 GLU CB C 13 29.2040 0.4 . 1 . . . . 59 GLU CB . 16749 1 273 . 1 1 59 59 GLU N N 15 113.4350 0.1 . 1 . . . . 59 GLU N . 16749 1 274 . 1 1 60 60 THR H H 1 7.8210 0.05 . 1 . . . . 60 THR HN . 16749 1 275 . 1 1 60 60 THR C C 13 173.1880 0.4 . 1 . . . . 60 THR C . 16749 1 276 . 1 1 60 60 THR CA C 13 64.4520 0.4 . 1 . . . . 60 THR CA . 16749 1 277 . 1 1 60 60 THR CB C 13 69.1810 0.4 . 1 . . . . 60 THR CB . 16749 1 278 . 1 1 60 60 THR N N 15 114.3430 0.1 . 1 . . . . 60 THR N . 16749 1 279 . 1 1 61 61 PHE H H 1 8.0320 0.05 . 1 . . . . 61 PHE HN . 16749 1 280 . 1 1 61 61 PHE C C 13 171.5230 0.4 . 1 . . . . 61 PHE C . 16749 1 281 . 1 1 61 61 PHE CA C 13 55.0810 0.4 . 1 . . . . 61 PHE CA . 16749 1 282 . 1 1 61 61 PHE CB C 13 37.3730 0.4 . 1 . . . . 61 PHE CB . 16749 1 283 . 1 1 61 61 PHE N N 15 119.8110 0.1 . 1 . . . . 61 PHE N . 16749 1 284 . 1 1 62 62 PRO C C 13 179.2080 0.4 . 1 . . . . 62 PRO C . 16749 1 285 . 1 1 62 62 PRO CA C 13 64.4260 0.4 . 1 . . . . 62 PRO CA . 16749 1 286 . 1 1 63 63 VAL H H 1 8.1820 0.05 . 1 . . . . 63 VAL HN . 16749 1 287 . 1 1 63 63 VAL CA C 13 65.2130 0.4 . 1 . . . . 63 VAL CA . 16749 1 288 . 1 1 63 63 VAL N N 15 118.3790 0.1 . 1 . . . . 63 VAL N . 16749 1 289 . 1 1 64 64 GLU H H 1 9.4230 0.05 . 1 . . . . 64 GLU HN . 16749 1 290 . 1 1 64 64 GLU C C 13 177.7570 0.4 . 1 . . . . 64 GLU C . 16749 1 291 . 1 1 64 64 GLU N N 15 122.2690 0.1 . 1 . . . . 64 GLU N . 16749 1 292 . 1 1 65 65 ALA H H 1 8.4580 0.05 . 1 . . . . 65 ALA HN . 16749 1 293 . 1 1 65 65 ALA C C 13 177.4230 0.4 . 1 . . . . 65 ALA C . 16749 1 294 . 1 1 65 65 ALA CA C 13 52.1070 0.4 . 1 . . . . 65 ALA CA . 16749 1 295 . 1 1 65 65 ALA CB C 13 18.7390 0.4 . 1 . . . . 65 ALA CB . 16749 1 296 . 1 1 65 65 ALA N N 15 120.5220 0.1 . 1 . . . . 65 ALA N . 16749 1 297 . 1 1 66 66 GLY H H 1 8.2160 0.05 . 1 . . . . 66 GLY HN . 16749 1 298 . 1 1 66 66 GLY C C 13 174.1470 0.4 . 1 . . . . 66 GLY C . 16749 1 299 . 1 1 66 66 GLY CA C 13 45.5740 0.4 . 1 . . . . 66 GLY CA . 16749 1 300 . 1 1 66 66 GLY N N 15 107.0180 0.1 . 1 . . . . 66 GLY N . 16749 1 301 . 1 1 67 67 LEU H H 1 7.9540 0.05 . 1 . . . . 67 LEU HN . 16749 1 302 . 1 1 67 67 LEU C C 13 177.7780 0.4 . 1 . . . . 67 LEU C . 16749 1 303 . 1 1 67 67 LEU CA C 13 56.0590 0.4 . 1 . . . . 67 LEU CA . 16749 1 304 . 1 1 67 67 LEU N N 15 117.4070 0.1 . 1 . . . . 67 LEU N . 16749 1 305 . 1 1 68 68 LEU H H 1 8.1880 0.05 . 1 . . . . 68 LEU HN . 16749 1 306 . 1 1 68 68 LEU C C 13 177.4640 0.4 . 1 . . . . 68 LEU C . 16749 1 307 . 1 1 68 68 LEU CA C 13 55.4290 0.4 . 1 . . . . 68 LEU CA . 16749 1 308 . 1 1 68 68 LEU CB C 13 39.9630 0.4 . 1 . . . . 68 LEU CB . 16749 1 309 . 1 1 68 68 LEU N N 15 119.0460 0.1 . 1 . . . . 68 LEU N . 16749 1 310 . 1 1 69 69 ARG H H 1 7.5510 0.05 . 1 . . . . 69 ARG HN . 16749 1 311 . 1 1 69 69 ARG C C 13 176.4610 0.4 . 1 . . . . 69 ARG C . 16749 1 312 . 1 1 69 69 ARG CA C 13 51.7790 0.4 . 1 . . . . 69 ARG CA . 16749 1 313 . 1 1 69 69 ARG CB C 13 30.6420 0.4 . 1 . . . . 69 ARG CB . 16749 1 314 . 1 1 69 69 ARG N N 15 118.7450 0.1 . 1 . . . . 69 ARG N . 16749 1 315 . 1 1 71 71 SER C C 13 174.6910 0.4 . 1 . . . . 71 SER C . 16749 1 316 . 1 1 71 71 SER CA C 13 59.4110 0.4 . 1 . . . . 71 SER CA . 16749 1 317 . 1 1 71 71 SER CB C 13 61.7480 0.4 . 1 . . . . 71 SER CB . 16749 1 318 . 1 1 72 72 ASP H H 1 7.6220 0.05 . 1 . . . . 72 ASP HN . 16749 1 319 . 1 1 72 72 ASP C C 13 175.7060 0.4 . 1 . . . . 72 ASP C . 16749 1 320 . 1 1 72 72 ASP CA C 13 54.1050 0.4 . 1 . . . . 72 ASP CA . 16749 1 321 . 1 1 72 72 ASP CB C 13 40.4710 0.4 . 1 . . . . 72 ASP CB . 16749 1 322 . 1 1 72 72 ASP N N 15 120.7230 0.1 . 1 . . . . 72 ASP N . 16749 1 323 . 1 1 73 73 ARG H H 1 7.4330 0.05 . 1 . . . . 73 ARG HN . 16749 1 324 . 1 1 73 73 ARG C C 13 176.7420 0.4 . 1 . . . . 73 ARG C . 16749 1 325 . 1 1 73 73 ARG CA C 13 56.9050 0.4 . 1 . . . . 73 ARG CA . 16749 1 326 . 1 1 73 73 ARG N N 15 118.1230 0.1 . 1 . . . . 73 ARG N . 16749 1 327 . 1 1 74 74 VAL C C 13 176.6730 0.4 . 1 . . . . 74 VAL C . 16749 1 328 . 1 1 74 74 VAL CA C 13 55.8720 0.4 . 1 . . . . 74 VAL CA . 16749 1 329 . 1 1 74 74 VAL CB C 13 29.2880 0.4 . 1 . . . . 74 VAL CB . 16749 1 330 . 1 1 75 75 LEU H H 1 7.9010 0.05 . 1 . . . . 75 LEU HN . 16749 1 331 . 1 1 75 75 LEU CA C 13 54.3140 0.4 . 1 . . . . 75 LEU CA . 16749 1 332 . 1 1 75 75 LEU CB C 13 41.3310 0.4 . 1 . . . . 75 LEU CB . 16749 1 333 . 1 1 75 75 LEU N N 15 122.6500 0.1 . 1 . . . . 75 LEU N . 16749 1 334 . 1 1 76 76 PRO C C 13 175.8770 0.4 . 1 . . . . 76 PRO C . 16749 1 335 . 1 1 76 76 PRO CA C 13 61.5920 0.4 . 1 . . . . 76 PRO CA . 16749 1 336 . 1 1 76 76 PRO CB C 13 31.2490 0.4 . 1 . . . . 76 PRO CB . 16749 1 337 . 1 1 77 77 LYS H H 1 8.5170 0.05 . 1 . . . . 77 LYS HN . 16749 1 338 . 1 1 77 77 LYS C C 13 175.1740 0.4 . 1 . . . . 77 LYS C . 16749 1 339 . 1 1 77 77 LYS CA C 13 54.9150 0.4 . 1 . . . . 77 LYS CA . 16749 1 340 . 1 1 77 77 LYS CB C 13 32.9740 0.4 . 1 . . . . 77 LYS CB . 16749 1 341 . 1 1 77 77 LYS N N 15 120.8610 0.1 . 1 . . . . 77 LYS N . 16749 1 342 . 1 1 78 78 LEU H H 1 8.5790 0.05 . 1 . . . . 78 LEU HN . 16749 1 343 . 1 1 78 78 LEU C C 13 174.3810 0.4 . 1 . . . . 78 LEU C . 16749 1 344 . 1 1 78 78 LEU CA C 13 53.6340 0.4 . 1 . . . . 78 LEU CA . 16749 1 345 . 1 1 78 78 LEU CB C 13 40.9150 0.4 . 1 . . . . 78 LEU CB . 16749 1 346 . 1 1 78 78 LEU N N 15 125.4600 0.1 . 1 . . . . 78 LEU N . 16749 1 347 . 1 1 79 79 LEU H H 1 8.0910 0.05 . 1 . . . . 79 LEU HN . 16749 1 348 . 1 1 79 79 LEU C C 13 175.0090 0.4 . 1 . . . . 79 LEU C . 16749 1 349 . 1 1 79 79 LEU CA C 13 53.4110 0.4 . 1 . . . . 79 LEU CA . 16749 1 350 . 1 1 79 79 LEU CB C 13 42.0920 0.4 . 1 . . . . 79 LEU CB . 16749 1 351 . 1 1 79 79 LEU N N 15 129.0500 0.1 . 1 . . . . 79 LEU N . 16749 1 352 . 1 1 80 80 ASP H H 1 8.0850 0.05 . 1 . . . . 80 ASP HN . 16749 1 353 . 1 1 80 80 ASP C C 13 176.0190 0.4 . 1 . . . . 80 ASP C . 16749 1 354 . 1 1 80 80 ASP CA C 13 51.5940 0.4 . 1 . . . . 80 ASP CA . 16749 1 355 . 1 1 80 80 ASP CB C 13 40.9600 0.4 . 1 . . . . 80 ASP CB . 16749 1 356 . 1 1 80 80 ASP N N 15 118.5940 0.1 . 1 . . . . 80 ASP N . 16749 1 357 . 1 1 81 81 ALA H H 1 8.5460 0.05 . 1 . . . . 81 ALA HN . 16749 1 358 . 1 1 81 81 ALA C C 13 175.3450 0.4 . 1 . . . . 81 ALA C . 16749 1 359 . 1 1 81 81 ALA CA C 13 49.4330 0.4 . 1 . . . . 81 ALA CA . 16749 1 360 . 1 1 81 81 ALA N N 15 125.3310 0.1 . 1 . . . . 81 ALA N . 16749 1 361 . 1 1 82 82 PRO C C 13 176.3060 0.4 . 1 . . . . 82 PRO C . 16749 1 362 . 1 1 82 82 PRO CA C 13 62.3950 0.4 . 1 . . . . 82 PRO CA . 16749 1 363 . 1 1 82 82 PRO CB C 13 31.0230 0.4 . 1 . . . . 82 PRO CB . 16749 1 364 . 1 1 83 83 LEU H H 1 8.1860 0.05 . 1 . . . . 83 LEU HN . 16749 1 365 . 1 1 83 83 LEU C C 13 176.7060 0.4 . 1 . . . . 83 LEU C . 16749 1 366 . 1 1 83 83 LEU CA C 13 54.6490 0.4 . 1 . . . . 83 LEU CA . 16749 1 367 . 1 1 83 83 LEU CB C 13 40.5860 0.4 . 1 . . . . 83 LEU CB . 16749 1 368 . 1 1 83 83 LEU N N 15 121.6160 0.1 . 1 . . . . 83 LEU N . 16749 1 369 . 1 1 84 84 LEU H H 1 7.8950 0.05 . 1 . . . . 84 LEU HN . 16749 1 370 . 1 1 84 84 LEU C C 13 177.3210 0.4 . 1 . . . . 84 LEU C . 16749 1 371 . 1 1 84 84 LEU N N 15 122.4700 0.1 . 1 . . . . 84 LEU N . 16749 1 372 . 1 1 85 85 GLY H H 1 8.2030 0.05 . 1 . . . . 85 GLY HN . 16749 1 373 . 1 1 85 85 GLY C C 13 173.9170 0.4 . 1 . . . . 85 GLY C . 16749 1 374 . 1 1 85 85 GLY CA C 13 44.8870 0.4 . 1 . . . . 85 GLY CA . 16749 1 375 . 1 1 85 85 GLY N N 15 109.0960 0.1 . 1 . . . . 85 GLY N . 16749 1 376 . 1 1 86 86 ARG H H 1 8.0390 0.05 . 1 . . . . 86 ARG HN . 16749 1 377 . 1 1 86 86 ARG C C 13 176.0330 0.4 . 1 . . . . 86 ARG C . 16749 1 378 . 1 1 86 86 ARG CA C 13 55.2270 0.4 . 1 . . . . 86 ARG CA . 16749 1 379 . 1 1 86 86 ARG CB C 13 29.0820 0.4 . 1 . . . . 86 ARG CB . 16749 1 380 . 1 1 86 86 ARG N N 15 119.9960 0.1 . 1 . . . . 86 ARG N . 16749 1 381 . 1 1 87 87 VAL H H 1 7.8800 0.05 . 1 . . . . 87 VAL HN . 16749 1 382 . 1 1 87 87 VAL C C 13 176.1230 0.4 . 1 . . . . 87 VAL C . 16749 1 383 . 1 1 87 87 VAL CA C 13 61.5370 0.4 . 1 . . . . 87 VAL CA . 16749 1 384 . 1 1 87 87 VAL CB C 13 31.7550 0.4 . 1 . . . . 87 VAL CB . 16749 1 385 . 1 1 87 87 VAL N N 15 119.9200 0.1 . 1 . . . . 87 VAL N . 16749 1 386 . 1 1 88 88 GLY H H 1 8.3290 0.05 . 1 . . . . 88 GLY HN . 16749 1 387 . 1 1 88 88 GLY C C 13 174.1400 0.4 . 1 . . . . 88 GLY C . 16749 1 388 . 1 1 88 88 GLY CA C 13 44.4430 0.4 . 1 . . . . 88 GLY CA . 16749 1 389 . 1 1 88 88 GLY N N 15 112.1010 0.1 . 1 . . . . 88 GLY N . 16749 1 390 . 1 1 89 89 ARG H H 1 8.6790 0.05 . 1 . . . . 89 ARG HN . 16749 1 391 . 1 1 89 89 ARG C C 13 179.3590 0.4 . 1 . . . . 89 ARG C . 16749 1 392 . 1 1 89 89 ARG CA C 13 58.4700 0.4 . 1 . . . . 89 ARG CA . 16749 1 393 . 1 1 89 89 ARG N N 15 121.1650 0.1 . 1 . . . . 89 ARG N . 16749 1 394 . 1 1 90 90 THR C C 13 175.4740 0.4 . 1 . . . . 90 THR C . 16749 1 395 . 1 1 90 90 THR CA C 13 66.0100 0.4 . 1 . . . . 90 THR CA . 16749 1 396 . 1 1 90 90 THR CB C 13 67.1560 0.4 . 1 . . . . 90 THR CB . 16749 1 397 . 1 1 91 91 SER H H 1 8.2550 0.05 . 1 . . . . 91 SER HN . 16749 1 398 . 1 1 91 91 SER C C 13 177.4270 0.4 . 1 . . . . 91 SER C . 16749 1 399 . 1 1 91 91 SER CA C 13 60.9520 0.4 . 1 . . . . 91 SER CA . 16749 1 400 . 1 1 91 91 SER CB C 13 61.8660 0.4 . 1 . . . . 91 SER CB . 16749 1 401 . 1 1 91 91 SER N N 15 117.5870 0.1 . 1 . . . . 91 SER N . 16749 1 402 . 1 1 92 92 ARG H H 1 8.2110 0.05 . 1 . . . . 92 ARG HN . 16749 1 403 . 1 1 92 92 ARG C C 13 178.3430 0.4 . 1 . . . . 92 ARG C . 16749 1 404 . 1 1 92 92 ARG CA C 13 59.0060 0.4 . 1 . . . . 92 ARG CA . 16749 1 405 . 1 1 92 92 ARG CB C 13 28.9690 0.4 . 1 . . . . 92 ARG CB . 16749 1 406 . 1 1 92 92 ARG N N 15 122.6260 0.1 . 1 . . . . 92 ARG N . 16749 1 407 . 1 1 93 93 GLY H H 1 8.2530 0.05 . 1 . . . . 93 GLY HN . 16749 1 408 . 1 1 93 93 GLY C C 13 175.6950 0.4 . 1 . . . . 93 GLY C . 16749 1 409 . 1 1 93 93 GLY CA C 13 47.2390 0.4 . 1 . . . . 93 GLY CA . 16749 1 410 . 1 1 93 93 GLY N N 15 107.6850 0.1 . 1 . . . . 93 GLY N . 16749 1 411 . 1 1 94 94 LEU H H 1 8.4420 0.05 . 1 . . . . 94 LEU HN . 16749 1 412 . 1 1 94 94 LEU C C 13 179.9830 0.4 . 1 . . . . 94 LEU C . 16749 1 413 . 1 1 94 94 LEU CA C 13 57.1250 0.4 . 1 . . . . 94 LEU CA . 16749 1 414 . 1 1 94 94 LEU CB C 13 40.0380 0.4 . 1 . . . . 94 LEU CB . 16749 1 415 . 1 1 94 94 LEU N N 15 122.7140 0.1 . 1 . . . . 94 LEU N . 16749 1 416 . 1 1 95 95 ALA H H 1 7.8350 0.05 . 1 . . . . 95 ALA HN . 16749 1 417 . 1 1 95 95 ALA C C 13 181.1520 0.4 . 1 . . . . 95 ALA C . 16749 1 418 . 1 1 95 95 ALA CA C 13 54.4560 0.4 . 1 . . . . 95 ALA CA . 16749 1 419 . 1 1 95 95 ALA CB C 13 17.0070 0.4 . 1 . . . . 95 ALA CB . 16749 1 420 . 1 1 95 95 ALA N N 15 123.3140 0.1 . 1 . . . . 95 ALA N . 16749 1 421 . 1 1 96 96 ARG H H 1 8.4080 0.05 . 1 . . . . 96 ARG HN . 16749 1 422 . 1 1 96 96 ARG C C 13 177.0790 0.4 . 1 . . . . 96 ARG C . 16749 1 423 . 1 1 96 96 ARG CA C 13 59.8780 0.4 . 1 . . . . 96 ARG CA . 16749 1 424 . 1 1 96 96 ARG CB C 13 30.2480 0.4 . 1 . . . . 96 ARG CB . 16749 1 425 . 1 1 96 96 ARG N N 15 119.1100 0.1 . 1 . . . . 96 ARG N . 16749 1 426 . 1 1 97 97 LEU H H 1 8.2170 0.05 . 1 . . . . 97 LEU HN . 16749 1 427 . 1 1 97 97 LEU C C 13 177.6410 0.4 . 1 . . . . 97 LEU C . 16749 1 428 . 1 1 97 97 LEU CA C 13 59.6430 0.4 . 1 . . . . 97 LEU CA . 16749 1 429 . 1 1 97 97 LEU CB C 13 40.7370 0.4 . 1 . . . . 97 LEU CB . 16749 1 430 . 1 1 97 97 LEU N N 15 120.2010 0.1 . 1 . . . . 97 LEU N . 16749 1 431 . 1 1 98 98 GLN H H 1 7.1540 0.05 . 1 . . . . 98 GLN HN . 16749 1 432 . 1 1 98 98 GLN C C 13 178.8550 0.4 . 1 . . . . 98 GLN C . 16749 1 433 . 1 1 98 98 GLN CA C 13 58.0170 0.4 . 1 . . . . 98 GLN CA . 16749 1 434 . 1 1 98 98 GLN CB C 13 27.7870 0.4 . 1 . . . . 98 GLN CB . 16749 1 435 . 1 1 98 98 GLN N N 15 116.1760 0.1 . 1 . . . . 98 GLN N . 16749 1 436 . 1 1 99 99 LEU H H 1 8.0020 0.05 . 1 . . . . 99 LEU HN . 16749 1 437 . 1 1 99 99 LEU C C 13 180.8410 0.4 . 1 . . . . 99 LEU C . 16749 1 438 . 1 1 99 99 LEU CA C 13 57.7100 0.4 . 1 . . . . 99 LEU CA . 16749 1 439 . 1 1 99 99 LEU CB C 13 40.4240 0.4 . 1 . . . . 99 LEU CB . 16749 1 440 . 1 1 99 99 LEU N N 15 120.5410 0.1 . 1 . . . . 99 LEU N . 16749 1 441 . 1 1 100 100 LEU H H 1 8.6230 0.05 . 1 . . . . 100 LEU HN . 16749 1 442 . 1 1 100 100 LEU C C 13 180.3720 0.4 . 1 . . . . 100 LEU C . 16749 1 443 . 1 1 100 100 LEU CA C 13 56.4820 0.4 . 1 . . . . 100 LEU CA . 16749 1 444 . 1 1 100 100 LEU CB C 13 41.2490 0.4 . 1 . . . . 100 LEU CB . 16749 1 445 . 1 1 100 100 LEU N N 15 120.6990 0.1 . 1 . . . . 100 LEU N . 16749 1 446 . 1 1 101 101 GLU H H 1 8.5220 0.05 . 1 . . . . 101 GLU HN . 16749 1 447 . 1 1 101 101 GLU C C 13 177.4200 0.4 . 1 . . . . 101 GLU C . 16749 1 448 . 1 1 101 101 GLU CA C 13 60.3440 0.4 . 1 . . . . 101 GLU CA . 16749 1 449 . 1 1 101 101 GLU CB C 13 29.4560 0.4 . 1 . . . . 101 GLU CB . 16749 1 450 . 1 1 101 101 GLU N N 15 124.2820 0.1 . 1 . . . . 101 GLU N . 16749 1 451 . 1 1 102 102 THR H H 1 8.3480 0.05 . 1 . . . . 102 THR HN . 16749 1 452 . 1 1 102 102 THR C C 13 175.2140 0.4 . 1 . . . . 102 THR C . 16749 1 453 . 1 1 102 102 THR CA C 13 66.4810 0.4 . 1 . . . . 102 THR CA . 16749 1 454 . 1 1 102 102 THR CB C 13 67.8690 0.4 . 1 . . . . 102 THR CB . 16749 1 455 . 1 1 102 102 THR N N 15 116.8730 0.1 . 1 . . . . 102 THR N . 16749 1 456 . 1 1 103 103 TYR H H 1 8.2440 0.05 . 1 . . . . 103 TYR HN . 16749 1 457 . 1 1 103 103 TYR C C 13 176.5220 0.4 . 1 . . . . 103 TYR C . 16749 1 458 . 1 1 103 103 TYR CA C 13 61.1300 0.4 . 1 . . . . 103 TYR CA . 16749 1 459 . 1 1 103 103 TYR CB C 13 38.6080 0.4 . 1 . . . . 103 TYR CB . 16749 1 460 . 1 1 103 103 TYR N N 15 121.7950 0.1 . 1 . . . . 103 TYR N . 16749 1 461 . 1 1 104 104 SER H H 1 8.0010 0.05 . 1 . . . . 104 SER HN . 16749 1 462 . 1 1 104 104 SER CA C 13 62.9130 0.4 . 1 . . . . 104 SER CA . 16749 1 463 . 1 1 104 104 SER N N 15 113.3710 0.1 . 1 . . . . 104 SER N . 16749 1 464 . 1 1 105 105 ARG C C 13 179.8940 0.4 . 1 . . . . 105 ARG C . 16749 1 465 . 1 1 105 105 ARG CA C 13 59.6240 0.4 . 1 . . . . 105 ARG CA . 16749 1 466 . 1 1 105 105 ARG CB C 13 28.9110 0.4 . 1 . . . . 105 ARG CB . 16749 1 467 . 1 1 106 106 ARG H H 1 8.1770 0.05 . 1 . . . . 106 ARG HN . 16749 1 468 . 1 1 106 106 ARG C C 13 180.1310 0.4 . 1 . . . . 106 ARG C . 16749 1 469 . 1 1 106 106 ARG CA C 13 58.5680 0.4 . 1 . . . . 106 ARG CA . 16749 1 470 . 1 1 106 106 ARG CB C 13 28.7740 0.4 . 1 . . . . 106 ARG CB . 16749 1 471 . 1 1 106 106 ARG N N 15 118.6180 0.1 . 1 . . . . 106 ARG N . 16749 1 472 . 1 1 107 107 LEU H H 1 8.1780 0.05 . 1 . . . . 107 LEU HN . 16749 1 473 . 1 1 107 107 LEU C C 13 178.6330 0.4 . 1 . . . . 107 LEU C . 16749 1 474 . 1 1 107 107 LEU CA C 13 57.0740 0.4 . 1 . . . . 107 LEU CA . 16749 1 475 . 1 1 107 107 LEU CB C 13 40.9680 0.4 . 1 . . . . 107 LEU CB . 16749 1 476 . 1 1 107 107 LEU N N 15 121.3160 0.1 . 1 . . . . 107 LEU N . 16749 1 477 . 1 1 108 108 LEU H H 1 7.4610 0.05 . 1 . . . . 108 LEU HN . 16749 1 478 . 1 1 108 108 LEU C C 13 176.3900 0.4 . 1 . . . . 108 LEU C . 16749 1 479 . 1 1 108 108 LEU CA C 13 55.6760 0.4 . 1 . . . . 108 LEU CA . 16749 1 480 . 1 1 108 108 LEU CB C 13 38.7490 0.4 . 1 . . . . 108 LEU CB . 16749 1 481 . 1 1 108 108 LEU N N 15 115.3830 0.1 . 1 . . . . 108 LEU N . 16749 1 482 . 1 1 109 109 ALA H H 1 7.0230 0.05 . 1 . . . . 109 ALA HN . 16749 1 483 . 1 1 109 109 ALA C C 13 177.7390 0.4 . 1 . . . . 109 ALA C . 16749 1 484 . 1 1 109 109 ALA CA C 13 50.9430 0.4 . 1 . . . . 109 ALA CA . 16749 1 485 . 1 1 109 109 ALA CB C 13 18.4950 0.4 . 1 . . . . 109 ALA CB . 16749 1 486 . 1 1 109 109 ALA N N 15 118.8000 0.1 . 1 . . . . 109 ALA N . 16749 1 487 . 1 1 110 110 THR H H 1 6.8490 0.05 . 1 . . . . 110 THR HN . 16749 1 488 . 1 1 110 110 THR C C 13 172.6350 0.4 . 1 . . . . 110 THR C . 16749 1 489 . 1 1 110 110 THR CA C 13 62.0020 0.4 . 1 . . . . 110 THR CA . 16749 1 490 . 1 1 110 110 THR CB C 13 69.4780 0.4 . 1 . . . . 110 THR CB . 16749 1 491 . 1 1 110 110 THR N N 15 111.4610 0.1 . 1 . . . . 110 THR N . 16749 1 492 . 1 1 111 111 ALA H H 1 7.5720 0.05 . 1 . . . . 111 ALA HN . 16749 1 493 . 1 1 111 111 ALA C C 13 177.9020 0.4 . 1 . . . . 111 ALA C . 16749 1 494 . 1 1 111 111 ALA CA C 13 51.7170 0.4 . 1 . . . . 111 ALA CA . 16749 1 495 . 1 1 111 111 ALA CB C 13 18.5230 0.4 . 1 . . . . 111 ALA CB . 16749 1 496 . 1 1 111 111 ALA N N 15 118.8990 0.1 . 1 . . . . 111 ALA N . 16749 1 497 . 1 1 112 112 GLU H H 1 8.7710 0.05 . 1 . . . . 112 GLU HN . 16749 1 498 . 1 1 112 112 GLU C C 13 177.2000 0.4 . 1 . . . . 112 GLU C . 16749 1 499 . 1 1 112 112 GLU CA C 13 60.1320 0.4 . 1 . . . . 112 GLU CA . 16749 1 500 . 1 1 112 112 GLU CB C 13 28.4500 0.4 . 1 . . . . 112 GLU CB . 16749 1 501 . 1 1 112 112 GLU N N 15 123.7690 0.1 . 1 . . . . 112 GLU N . 16749 1 502 . 1 1 113 113 ARG H H 1 8.2520 0.05 . 1 . . . . 113 ARG HN . 16749 1 503 . 1 1 113 113 ARG C C 13 176.0990 0.4 . 1 . . . . 113 ARG C . 16749 1 504 . 1 1 113 113 ARG CA C 13 57.5910 0.4 . 1 . . . . 113 ARG CA . 16749 1 505 . 1 1 113 113 ARG CB C 13 28.4050 0.4 . 1 . . . . 113 ARG CB . 16749 1 506 . 1 1 113 113 ARG N N 15 114.7880 0.1 . 1 . . . . 113 ARG N . 16749 1 507 . 1 1 114 114 VAL H H 1 7.0580 0.05 . 1 . . . . 114 VAL HN . 16749 1 508 . 1 1 114 114 VAL C C 13 178.4550 0.4 . 1 . . . . 114 VAL C . 16749 1 509 . 1 1 114 114 VAL CA C 13 63.4720 0.4 . 1 . . . . 114 VAL CA . 16749 1 510 . 1 1 114 114 VAL CB C 13 30.5980 0.4 . 1 . . . . 114 VAL CB . 16749 1 511 . 1 1 114 114 VAL N N 15 116.3350 0.1 . 1 . . . . 114 VAL N . 16749 1 512 . 1 1 115 115 ALA H H 1 7.8010 0.05 . 1 . . . . 115 ALA HN . 16749 1 513 . 1 1 115 115 ALA C C 13 176.7130 0.4 . 1 . . . . 115 ALA C . 16749 1 514 . 1 1 115 115 ALA CA C 13 55.2300 0.4 . 1 . . . . 115 ALA CA . 16749 1 515 . 1 1 115 115 ALA CB C 13 18.9830 0.4 . 1 . . . . 115 ALA CB . 16749 1 516 . 1 1 115 115 ALA N N 15 122.6700 0.1 . 1 . . . . 115 ALA N . 16749 1 517 . 1 1 116 116 ARG H H 1 7.5030 0.05 . 1 . . . . 116 ARG HN . 16749 1 518 . 1 1 116 116 ARG C C 13 176.5010 0.4 . 1 . . . . 116 ARG C . 16749 1 519 . 1 1 116 116 ARG CA C 13 53.5430 0.4 . 1 . . . . 116 ARG CA . 16749 1 520 . 1 1 116 116 ARG CB C 13 28.3600 0.4 . 1 . . . . 116 ARG CB . 16749 1 521 . 1 1 116 116 ARG N N 15 108.5000 0.1 . 1 . . . . 116 ARG N . 16749 1 522 . 1 1 117 117 SER H H 1 7.5970 0.05 . 1 . . . . 117 SER HN . 16749 1 523 . 1 1 117 117 SER C C 13 176.5600 0.4 . 1 . . . . 117 SER C . 16749 1 524 . 1 1 117 117 SER CA C 13 57.0510 0.4 . 1 . . . . 117 SER CA . 16749 1 525 . 1 1 117 117 SER CB C 13 62.9650 0.4 . 1 . . . . 117 SER CB . 16749 1 526 . 1 1 117 117 SER N N 15 117.1420 0.1 . 1 . . . . 117 SER N . 16749 1 527 . 1 1 118 118 PRO C C 13 179.6630 0.4 . 1 . . . . 118 PRO C . 16749 1 528 . 1 1 118 118 PRO CA C 13 64.1040 0.4 . 1 . . . . 118 PRO CA . 16749 1 529 . 1 1 118 118 PRO CB C 13 30.5750 0.4 . 1 . . . . 118 PRO CB . 16749 1 530 . 1 1 119 119 THR H H 1 7.6460 0.05 . 1 . . . . 119 THR HN . 16749 1 531 . 1 1 119 119 THR C C 13 175.5430 0.4 . 1 . . . . 119 THR C . 16749 1 532 . 1 1 119 119 THR CA C 13 66.3440 0.4 . 1 . . . . 119 THR CA . 16749 1 533 . 1 1 119 119 THR CB C 13 68.2770 0.4 . 1 . . . . 119 THR CB . 16749 1 534 . 1 1 119 119 THR N N 15 113.2710 0.1 . 1 . . . . 119 THR N . 16749 1 535 . 1 1 120 120 ILE H H 1 7.2860 0.05 . 1 . . . . 120 ILE HN . 16749 1 536 . 1 1 120 120 ILE C C 13 177.8990 0.4 . 1 . . . . 120 ILE C . 16749 1 537 . 1 1 120 120 ILE CA C 13 62.5530 0.4 . 1 . . . . 120 ILE CA . 16749 1 538 . 1 1 120 120 ILE CB C 13 35.3460 0.4 . 1 . . . . 120 ILE CB . 16749 1 539 . 1 1 120 120 ILE N N 15 121.1780 0.1 . 1 . . . . 120 ILE N . 16749 1 540 . 1 1 121 121 THR H H 1 8.8260 0.05 . 1 . . . . 121 THR HN . 16749 1 541 . 1 1 121 121 THR C C 13 177.2800 0.4 . 1 . . . . 121 THR C . 16749 1 542 . 1 1 121 121 THR CA C 13 66.7050 0.4 . 1 . . . . 121 THR CA . 16749 1 543 . 1 1 121 121 THR CB C 13 67.3860 0.4 . 1 . . . . 121 THR CB . 16749 1 544 . 1 1 121 121 THR N N 15 114.1790 0.1 . 1 . . . . 121 THR N . 16749 1 545 . 1 1 122 122 GLY H H 1 8.3880 0.05 . 1 . . . . 122 GLY HN . 16749 1 546 . 1 1 122 122 GLY C C 13 175.6780 0.4 . 1 . . . . 122 GLY C . 16749 1 547 . 1 1 122 122 GLY CA C 13 45.6420 0.4 . 1 . . . . 122 GLY CA . 16749 1 548 . 1 1 122 122 GLY N N 15 106.7720 0.1 . 1 . . . . 122 GLY N . 16749 1 549 . 1 1 123 123 PHE H H 1 7.2510 0.05 . 1 . . . . 123 PHE HN . 16749 1 550 . 1 1 123 123 PHE C C 13 176.8210 0.4 . 1 . . . . 123 PHE C . 16749 1 551 . 1 1 123 123 PHE CA C 13 60.8780 0.4 . 1 . . . . 123 PHE CA . 16749 1 552 . 1 1 123 123 PHE CB C 13 38.2560 0.4 . 1 . . . . 123 PHE CB . 16749 1 553 . 1 1 123 123 PHE N N 15 121.6360 0.1 . 1 . . . . 123 PHE N . 16749 1 554 . 1 1 124 124 PHE H H 1 7.2390 0.05 . 1 . . . . 124 PHE HN . 16749 1 555 . 1 1 124 124 PHE C C 13 172.6550 0.4 . 1 . . . . 124 PHE C . 16749 1 556 . 1 1 124 124 PHE CA C 13 59.5240 0.4 . 1 . . . . 124 PHE CA . 16749 1 557 . 1 1 124 124 PHE CB C 13 38.9690 0.4 . 1 . . . . 124 PHE CB . 16749 1 558 . 1 1 124 124 PHE N N 15 112.8050 0.1 . 1 . . . . 124 PHE N . 16749 1 559 . 1 1 125 125 ALA H H 1 7.1840 0.05 . 1 . . . . 125 ALA HN . 16749 1 560 . 1 1 125 125 ALA C C 13 174.2730 0.4 . 1 . . . . 125 ALA C . 16749 1 561 . 1 1 125 125 ALA CA C 13 50.3230 0.4 . 1 . . . . 125 ALA CA . 16749 1 562 . 1 1 125 125 ALA CB C 13 16.5230 0.4 . 1 . . . . 125 ALA CB . 16749 1 563 . 1 1 125 125 ALA N N 15 122.9820 0.1 . 1 . . . . 125 ALA N . 16749 1 564 . 1 1 126 126 PRO C C 13 178.1010 0.4 . 1 . . . . 126 PRO C . 16749 1 565 . 1 1 126 126 PRO CA C 13 63.0020 0.4 . 1 . . . . 126 PRO CA . 16749 1 566 . 1 1 126 126 PRO CB C 13 30.6320 0.4 . 1 . . . . 126 PRO CB . 16749 1 567 . 1 1 127 127 GLN H H 1 10.0750 0.05 . 1 . . . . 127 GLN HN . 16749 1 568 . 1 1 127 127 GLN C C 13 175.5680 0.4 . 1 . . . . 127 GLN C . 16749 1 569 . 1 1 127 127 GLN CA C 13 53.1420 0.4 . 1 . . . . 127 GLN CA . 16749 1 570 . 1 1 127 127 GLN CB C 13 27.1030 0.4 . 1 . . . . 127 GLN CB . 16749 1 571 . 1 1 127 127 GLN N N 15 126.7050 0.1 . 1 . . . . 127 GLN N . 16749 1 572 . 1 1 128 128 PRO C C 13 179.8380 0.4 . 1 . . . . 128 PRO C . 16749 1 573 . 1 1 128 128 PRO CA C 13 66.6140 0.4 . 1 . . . . 128 PRO CA . 16749 1 574 . 1 1 128 128 PRO CB C 13 30.1810 0.4 . 1 . . . . 128 PRO CB . 16749 1 575 . 1 1 129 129 LEU H H 1 8.3520 0.05 . 1 . . . . 129 LEU HN . 16749 1 576 . 1 1 129 129 LEU C C 13 178.3470 0.4 . 1 . . . . 129 LEU C . 16749 1 577 . 1 1 129 129 LEU CA C 13 57.0760 0.4 . 1 . . . . 129 LEU CA . 16749 1 578 . 1 1 129 129 LEU CB C 13 39.6130 0.4 . 1 . . . . 129 LEU CB . 16749 1 579 . 1 1 129 129 LEU N N 15 115.9950 0.1 . 1 . . . . 129 LEU N . 16749 1 580 . 1 1 130 130 ASP H H 1 7.9340 0.05 . 1 . . . . 130 ASP HN . 16749 1 581 . 1 1 130 130 ASP C C 13 177.2160 0.4 . 1 . . . . 130 ASP C . 16749 1 582 . 1 1 130 130 ASP CA C 13 55.4930 0.4 . 1 . . . . 130 ASP CA . 16749 1 583 . 1 1 130 130 ASP CB C 13 40.8640 0.4 . 1 . . . . 130 ASP CB . 16749 1 584 . 1 1 130 130 ASP N N 15 117.4810 0.1 . 1 . . . . 130 ASP N . 16749 1 585 . 1 1 131 131 LEU H H 1 7.4240 0.05 . 1 . . . . 131 LEU HN . 16749 1 586 . 1 1 131 131 LEU C C 13 177.2440 0.4 . 1 . . . . 131 LEU C . 16749 1 587 . 1 1 131 131 LEU CA C 13 54.2020 0.4 . 1 . . . . 131 LEU CA . 16749 1 588 . 1 1 131 131 LEU CB C 13 40.8890 0.4 . 1 . . . . 131 LEU CB . 16749 1 589 . 1 1 131 131 LEU N N 15 118.4640 0.1 . 1 . . . . 131 LEU N . 16749 1 590 . 1 1 132 132 GLU H H 1 7.0080 0.05 . 1 . . . . 132 GLU HN . 16749 1 591 . 1 1 132 132 GLU C C 13 175.3150 0.4 . 1 . . . . 132 GLU C . 16749 1 592 . 1 1 132 132 GLU CA C 13 53.6870 0.4 . 1 . . . . 132 GLU CA . 16749 1 593 . 1 1 132 132 GLU CB C 13 28.8580 0.4 . 1 . . . . 132 GLU CB . 16749 1 594 . 1 1 132 132 GLU N N 15 120.4530 0.1 . 1 . . . . 132 GLU N . 16749 1 595 . 1 1 133 133 PRO C C 13 176.0040 0.4 . 1 . . . . 133 PRO C . 16749 1 596 . 1 1 133 133 PRO CA C 13 63.3490 0.4 . 1 . . . . 133 PRO CA . 16749 1 597 . 1 1 133 133 PRO CB C 13 30.9940 0.4 . 1 . . . . 133 PRO CB . 16749 1 598 . 1 1 134 134 ALA H H 1 7.6240 0.05 . 1 . . . . 134 ALA HN . 16749 1 599 . 1 1 134 134 ALA C C 13 176.7160 0.4 . 1 . . . . 134 ALA C . 16749 1 600 . 1 1 134 134 ALA CA C 13 50.7490 0.4 . 1 . . . . 134 ALA CA . 16749 1 601 . 1 1 134 134 ALA CB C 13 19.9250 0.4 . 1 . . . . 134 ALA CB . 16749 1 602 . 1 1 134 134 ALA N N 15 120.5980 0.1 . 1 . . . . 134 ALA N . 16749 1 603 . 1 1 135 135 LEU H H 1 8.1800 0.05 . 1 . . . . 135 LEU HN . 16749 1 604 . 1 1 135 135 LEU C C 13 176.3190 0.4 . 1 . . . . 135 LEU C . 16749 1 605 . 1 1 135 135 LEU CA C 13 52.2180 0.4 . 1 . . . . 135 LEU CA . 16749 1 606 . 1 1 135 135 LEU CB C 13 39.5980 0.4 . 1 . . . . 135 LEU CB . 16749 1 607 . 1 1 135 135 LEU N N 15 121.6330 0.1 . 1 . . . . 135 LEU N . 16749 1 608 . 1 1 137 137 PRO CA C 13 63.2790 0.4 . 1 . . . . 137 PRO CA . 16749 1 609 . 1 1 138 138 GLY H H 1 8.7300 0.05 . 1 . . . . 138 GLY HN . 16749 1 610 . 1 1 138 138 GLY C C 13 174.9720 0.4 . 1 . . . . 138 GLY C . 16749 1 611 . 1 1 138 138 GLY CA C 13 44.5380 0.4 . 1 . . . . 138 GLY CA . 16749 1 612 . 1 1 138 138 GLY N N 15 111.2170 0.1 . 1 . . . . 138 GLY N . 16749 1 613 . 1 1 139 139 SER H H 1 7.5550 0.05 . 1 . . . . 139 SER HN . 16749 1 614 . 1 1 139 139 SER C C 13 173.2370 0.4 . 1 . . . . 139 SER C . 16749 1 615 . 1 1 139 139 SER CA C 13 59.2920 0.4 . 1 . . . . 139 SER CA . 16749 1 616 . 1 1 139 139 SER CB C 13 63.3830 0.4 . 1 . . . . 139 SER CB . 16749 1 617 . 1 1 139 139 SER N N 15 116.1910 0.1 . 1 . . . . 139 SER N . 16749 1 618 . 1 1 140 140 ARG H H 1 8.7500 0.05 . 1 . . . . 140 ARG HN . 16749 1 619 . 1 1 140 140 ARG C C 13 173.9180 0.4 . 1 . . . . 140 ARG C . 16749 1 620 . 1 1 140 140 ARG CA C 13 54.3980 0.4 . 1 . . . . 140 ARG CA . 16749 1 621 . 1 1 140 140 ARG CB C 13 31.7360 0.4 . 1 . . . . 140 ARG CB . 16749 1 622 . 1 1 140 140 ARG N N 15 123.5210 0.1 . 1 . . . . 140 ARG N . 16749 1 623 . 1 1 141 141 VAL H H 1 8.3720 0.05 . 1 . . . . 141 VAL HN . 16749 1 624 . 1 1 141 141 VAL C C 13 175.0850 0.4 . 1 . . . . 141 VAL C . 16749 1 625 . 1 1 141 141 VAL CA C 13 61.3400 0.4 . 1 . . . . 141 VAL CA . 16749 1 626 . 1 1 141 141 VAL CB C 13 31.8300 0.4 . 1 . . . . 141 VAL CB . 16749 1 627 . 1 1 141 141 VAL N N 15 124.5570 0.1 . 1 . . . . 141 VAL N . 16749 1 628 . 1 1 142 142 ILE H H 1 9.3660 0.05 . 1 . . . . 142 ILE HN . 16749 1 629 . 1 1 142 142 ILE C C 13 174.2780 0.4 . 1 . . . . 142 ILE C . 16749 1 630 . 1 1 142 142 ILE CA C 13 59.9190 0.4 . 1 . . . . 142 ILE CA . 16749 1 631 . 1 1 142 142 ILE CB C 13 38.5640 0.4 . 1 . . . . 142 ILE CB . 16749 1 632 . 1 1 142 142 ILE N N 15 130.4390 0.1 . 1 . . . . 142 ILE N . 16749 1 633 . 1 1 143 143 LEU H H 1 8.3970 0.05 . 1 . . . . 143 LEU HN . 16749 1 634 . 1 1 143 143 LEU C C 13 174.9570 0.4 . 1 . . . . 143 LEU C . 16749 1 635 . 1 1 143 143 LEU CA C 13 51.9310 0.4 . 1 . . . . 143 LEU CA . 16749 1 636 . 1 1 143 143 LEU CB C 13 39.7670 0.4 . 1 . . . . 143 LEU CB . 16749 1 637 . 1 1 143 143 LEU N N 15 126.9870 0.1 . 1 . . . . 143 LEU N . 16749 1 638 . 1 1 144 144 PRO C C 13 176.3460 0.4 . 1 . . . . 144 PRO C . 16749 1 639 . 1 1 144 144 PRO CA C 13 61.9930 0.4 . 1 . . . . 144 PRO CA . 16749 1 640 . 1 1 144 144 PRO CB C 13 31.0250 0.4 . 1 . . . . 144 PRO CB . 16749 1 641 . 1 1 145 145 THR H H 1 8.1160 0.05 . 1 . . . . 145 THR HN . 16749 1 642 . 1 1 145 145 THR C C 13 172.8430 0.4 . 1 . . . . 145 THR C . 16749 1 643 . 1 1 145 145 THR CA C 13 58.9980 0.4 . 1 . . . . 145 THR CA . 16749 1 644 . 1 1 145 145 THR CB C 13 69.0900 0.4 . 1 . . . . 145 THR CB . 16749 1 645 . 1 1 145 145 THR N N 15 116.5470 0.1 . 1 . . . . 145 THR N . 16749 1 646 . 1 1 146 146 PRO C C 13 176.7730 0.4 . 1 . . . . 146 PRO C . 16749 1 647 . 1 1 146 146 PRO CA C 13 62.5710 0.4 . 1 . . . . 146 PRO CA . 16749 1 648 . 1 1 146 146 PRO CB C 13 31.0810 0.4 . 1 . . . . 146 PRO CB . 16749 1 649 . 1 1 147 147 GLU H H 1 8.3950 0.05 . 1 . . . . 147 GLU HN . 16749 1 650 . 1 1 147 147 GLU C C 13 176.3460 0.4 . 1 . . . . 147 GLU C . 16749 1 651 . 1 1 147 147 GLU CA C 13 56.0590 0.4 . 1 . . . . 147 GLU CA . 16749 1 652 . 1 1 147 147 GLU CB C 13 29.5340 0.4 . 1 . . . . 147 GLU CB . 16749 1 653 . 1 1 147 147 GLU N N 15 120.9340 0.1 . 1 . . . . 147 GLU N . 16749 1 654 . 1 1 148 148 GLU H H 1 8.2720 0.05 . 1 . . . . 148 GLU HN . 16749 1 655 . 1 1 148 148 GLU C C 13 175.3420 0.4 . 1 . . . . 148 GLU C . 16749 1 656 . 1 1 148 148 GLU CA C 13 55.9060 0.4 . 1 . . . . 148 GLU CA . 16749 1 657 . 1 1 148 148 GLU CB C 13 29.4320 0.4 . 1 . . . . 148 GLU CB . 16749 1 658 . 1 1 148 148 GLU N N 15 122.1320 0.1 . 1 . . . . 148 GLU N . 16749 1 659 . 1 1 149 149 GLN H H 1 7.9020 0.05 . 1 . . . . 149 GLN HN . 16749 1 660 . 1 1 149 149 GLN C C 13 180.4640 0.4 . 1 . . . . 149 GLN C . 16749 1 661 . 1 1 149 149 GLN CA C 13 56.6840 0.4 . 1 . . . . 149 GLN CA . 16749 1 662 . 1 1 149 149 GLN N N 15 126.3490 0.1 . 1 . . . . 149 GLN N . 16749 1 stop_ save_