data_15763 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15763 _Entry.Title ; The solution structure of human Mia40 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-08 _Entry.Accession_date 2008-05-08 _Entry.Last_release_date 2009-02-09 _Entry.Original_release_date 2009-02-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The pdb submitted file contains the coordinates of the folded region of the protein. Residues 1-44 and 110-146 are therefore missing as not well-structured.' _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 Simone 'Ciofi Baffoni' . . . 15763 2 Ivano Bertini . . . 15763 3 Angelo Gallo . . . 15763 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . SPINE2-Complexes 'not applicable' . 15763 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'alpha-hairpin fold' . 15763 'COILED COIL-HELIX-COILED COIL-HELIX DOMAIN' . 15763 'Mitochondrial oxidase' . 15763 'Protein import and folding' . 15763 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15763 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 240 15763 '15N chemical shifts' 66 15763 '1H chemical shifts' 393 15763 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-02-09 2008-05-08 original author . 15763 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K3J 'BMRB Entry Tracking System' 15763 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15763 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19182799 _Citation.Full_citation . _Citation.Title 'MIA40 is an oxidoreductase that catalyzes oxidative protein folding in mitochondria' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _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 198 _Citation.Page_last 206 _Citation.Year 2009 _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 Lucia Banci . . . 15763 1 2 Ivano Bertini . . . 15763 1 3 Chiara Cefaro . . . 15763 1 4 Simone Ciofi-Baffoni . . . 15763 1 5 Angelo Gallo . . . 15763 1 6 Manuele Martinelli . . . 15763 1 7 Sideris Dionisia . P. . 15763 1 8 Katrakili Nitsa . . . 15763 1 9 Kostas Tokatlidis . . . 15763 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'mitochondrial oxidase' 15763 1 'NMR structure' 15763 1 'protein-protein interaction' 15763 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15763 _Assembly.ID 1 _Assembly.Name 'Human Mia40' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15996.3 _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 'Human Mia40' 1 $Human_Mia40 A . yes native no no . . . 15763 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 68 68 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . 15763 1 2 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 15763 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Human_Mia40 _Entity.Sf_category entity _Entity.Sf_framecode Human_Mia40 _Entity.Entry_ID 15763 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Human_Mia40 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSFTMSYCRQEGKDRIIFVT KEDHETPSSAELVADDPNDP YEEHGLILPNGNINWNCPCL GGMASGPCGEQFKSAFSCFH YSTEEIKGSDCVDQFRAMQE CMQKYPDLYPQEDEDEEEER EKKPAEQAEETAPIEATATK EEEGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-4 (not present in wild type gene) are non native as a consequence of gene cloning.' _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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15996.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Disulphide bonds are between C68-C101 and between C78-C91' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17067 . Mia40 . . . . . 100.00 146 99.32 99.32 3.07e-101 . . . . 15763 1 2 no PDB 2K3J . "The Solution Structure Of Human Mia40" . . . . . 100.00 146 100.00 100.00 2.28e-102 . . . . 15763 1 3 no PDB 2L0Y . "Complex Hmia40-Hcox17" . . . . . 100.00 146 99.32 99.32 3.07e-101 . . . . 15763 1 4 no DBJ BAB71132 . "unnamed protein product [Homo sapiens]" . . . . . 93.84 155 99.27 100.00 3.54e-94 . . . . 15763 1 5 no DBJ BAF83453 . "unnamed protein product [Homo sapiens]" . . . . . 97.26 142 100.00 100.00 4.33e-99 . . . . 15763 1 6 no GB AAH17082 . "CHCHD4 protein [Homo sapiens]" . . . . . 97.26 142 100.00 100.00 4.33e-99 . . . . 15763 1 7 no GB AAH33775 . "CHCHD4 protein [Homo sapiens]" . . . . . 97.26 142 100.00 100.00 4.33e-99 . . . . 15763 1 8 no GB AIC53061 . "CHCHD4, partial [synthetic construct]" . . . . . 97.26 142 100.00 100.00 4.33e-99 . . . . 15763 1 9 no GB EAW64180 . "coiled-coil-helix-coiled-coil-helix domain containing 4, isoform CRA_a [Homo sapiens]" . . . . . 97.26 142 100.00 100.00 4.33e-99 . . . . 15763 1 10 no GB EAW64181 . "coiled-coil-helix-coiled-coil-helix domain containing 4, isoform CRA_b [Homo sapiens]" . . . . . 93.84 155 99.27 100.00 3.54e-94 . . . . 15763 1 11 no REF NP_001091972 . "mitochondrial intermembrane space import and assembly protein 40 isoform 1 [Homo sapiens]" . . . . . 97.26 142 100.00 100.00 4.33e-99 . . . . 15763 1 12 no REF NP_001185638 . "coiled-coil-helix-coiled-coil-helix domain containing 4 [Macaca mulatta]" . . . . . 97.26 142 97.89 98.59 3.03e-97 . . . . 15763 1 13 no REF NP_653237 . "mitochondrial intermembrane space import and assembly protein 40 isoform 2 [Homo sapiens]" . . . . . 93.84 155 99.27 100.00 3.54e-94 . . . . 15763 1 14 no REF XP_001157417 . "PREDICTED: mitochondrial intermembrane space import and assembly protein 40 isoform X2 [Pan troglodytes]" . . . . . 97.26 142 99.30 99.30 2.13e-98 . . . . 15763 1 15 no REF XP_002813171 . "PREDICTED: mitochondrial intermembrane space import and assembly protein 40 isoform X2 [Pongo abelii]" . . . . . 97.26 142 99.30 99.30 2.13e-98 . . . . 15763 1 16 no SP Q8N4Q1 . "RecName: Full=Mitochondrial intermembrane space import and assembly protein 40; AltName: Full=Coiled-coil-helix-coiled-coil-hel" . . . . . 97.26 142 100.00 100.00 4.33e-99 . . . . 15763 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'mitochondrial oxidase' 15763 1 'protein folding' 15763 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 . 15763 1 2 . SER . 15763 1 3 . PHE . 15763 1 4 . THR . 15763 1 5 . MET . 15763 1 6 . SER . 15763 1 7 . TYR . 15763 1 8 . CYS . 15763 1 9 . ARG . 15763 1 10 . GLN . 15763 1 11 . GLU . 15763 1 12 . GLY . 15763 1 13 . LYS . 15763 1 14 . ASP . 15763 1 15 . ARG . 15763 1 16 . ILE . 15763 1 17 . ILE . 15763 1 18 . PHE . 15763 1 19 . VAL . 15763 1 20 . THR . 15763 1 21 . LYS . 15763 1 22 . GLU . 15763 1 23 . ASP . 15763 1 24 . HIS . 15763 1 25 . GLU . 15763 1 26 . THR . 15763 1 27 . PRO . 15763 1 28 . SER . 15763 1 29 . SER . 15763 1 30 . ALA . 15763 1 31 . GLU . 15763 1 32 . LEU . 15763 1 33 . VAL . 15763 1 34 . ALA . 15763 1 35 . ASP . 15763 1 36 . ASP . 15763 1 37 . PRO . 15763 1 38 . ASN . 15763 1 39 . ASP . 15763 1 40 . PRO . 15763 1 41 . TYR . 15763 1 42 . GLU . 15763 1 43 . GLU . 15763 1 44 . HIS . 15763 1 45 . GLY . 15763 1 46 . LEU . 15763 1 47 . ILE . 15763 1 48 . LEU . 15763 1 49 . PRO . 15763 1 50 . ASN . 15763 1 51 . GLY . 15763 1 52 . ASN . 15763 1 53 . ILE . 15763 1 54 . ASN . 15763 1 55 . TRP . 15763 1 56 . ASN . 15763 1 57 . CYS . 15763 1 58 . PRO . 15763 1 59 . CYS . 15763 1 60 . LEU . 15763 1 61 . GLY . 15763 1 62 . GLY . 15763 1 63 . MET . 15763 1 64 . ALA . 15763 1 65 . SER . 15763 1 66 . GLY . 15763 1 67 . PRO . 15763 1 68 . CYS . 15763 1 69 . GLY . 15763 1 70 . GLU . 15763 1 71 . GLN . 15763 1 72 . PHE . 15763 1 73 . LYS . 15763 1 74 . SER . 15763 1 75 . ALA . 15763 1 76 . PHE . 15763 1 77 . SER . 15763 1 78 . CYS . 15763 1 79 . PHE . 15763 1 80 . HIS . 15763 1 81 . TYR . 15763 1 82 . SER . 15763 1 83 . THR . 15763 1 84 . GLU . 15763 1 85 . GLU . 15763 1 86 . ILE . 15763 1 87 . LYS . 15763 1 88 . GLY . 15763 1 89 . SER . 15763 1 90 . ASP . 15763 1 91 . CYS . 15763 1 92 . VAL . 15763 1 93 . ASP . 15763 1 94 . GLN . 15763 1 95 . PHE . 15763 1 96 . ARG . 15763 1 97 . ALA . 15763 1 98 . MET . 15763 1 99 . GLN . 15763 1 100 . GLU . 15763 1 101 . CYS . 15763 1 102 . MET . 15763 1 103 . GLN . 15763 1 104 . LYS . 15763 1 105 . TYR . 15763 1 106 . PRO . 15763 1 107 . ASP . 15763 1 108 . LEU . 15763 1 109 . TYR . 15763 1 110 . PRO . 15763 1 111 . GLN . 15763 1 112 . GLU . 15763 1 113 . ASP . 15763 1 114 . GLU . 15763 1 115 . ASP . 15763 1 116 . GLU . 15763 1 117 . GLU . 15763 1 118 . GLU . 15763 1 119 . GLU . 15763 1 120 . ARG . 15763 1 121 . GLU . 15763 1 122 . LYS . 15763 1 123 . LYS . 15763 1 124 . PRO . 15763 1 125 . ALA . 15763 1 126 . GLU . 15763 1 127 . GLN . 15763 1 128 . ALA . 15763 1 129 . GLU . 15763 1 130 . GLU . 15763 1 131 . THR . 15763 1 132 . ALA . 15763 1 133 . PRO . 15763 1 134 . ILE . 15763 1 135 . GLU . 15763 1 136 . ALA . 15763 1 137 . THR . 15763 1 138 . ALA . 15763 1 139 . THR . 15763 1 140 . LYS . 15763 1 141 . GLU . 15763 1 142 . GLU . 15763 1 143 . GLU . 15763 1 144 . GLY . 15763 1 145 . SER . 15763 1 146 . SER . 15763 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 15763 1 . SER 2 2 15763 1 . PHE 3 3 15763 1 . THR 4 4 15763 1 . MET 5 5 15763 1 . SER 6 6 15763 1 . TYR 7 7 15763 1 . CYS 8 8 15763 1 . ARG 9 9 15763 1 . GLN 10 10 15763 1 . GLU 11 11 15763 1 . GLY 12 12 15763 1 . LYS 13 13 15763 1 . ASP 14 14 15763 1 . ARG 15 15 15763 1 . ILE 16 16 15763 1 . ILE 17 17 15763 1 . PHE 18 18 15763 1 . VAL 19 19 15763 1 . THR 20 20 15763 1 . LYS 21 21 15763 1 . GLU 22 22 15763 1 . ASP 23 23 15763 1 . HIS 24 24 15763 1 . GLU 25 25 15763 1 . THR 26 26 15763 1 . PRO 27 27 15763 1 . SER 28 28 15763 1 . SER 29 29 15763 1 . ALA 30 30 15763 1 . GLU 31 31 15763 1 . LEU 32 32 15763 1 . VAL 33 33 15763 1 . ALA 34 34 15763 1 . ASP 35 35 15763 1 . ASP 36 36 15763 1 . PRO 37 37 15763 1 . ASN 38 38 15763 1 . ASP 39 39 15763 1 . PRO 40 40 15763 1 . TYR 41 41 15763 1 . GLU 42 42 15763 1 . GLU 43 43 15763 1 . HIS 44 44 15763 1 . GLY 45 45 15763 1 . LEU 46 46 15763 1 . ILE 47 47 15763 1 . LEU 48 48 15763 1 . PRO 49 49 15763 1 . ASN 50 50 15763 1 . GLY 51 51 15763 1 . ASN 52 52 15763 1 . ILE 53 53 15763 1 . ASN 54 54 15763 1 . TRP 55 55 15763 1 . ASN 56 56 15763 1 . CYS 57 57 15763 1 . PRO 58 58 15763 1 . CYS 59 59 15763 1 . LEU 60 60 15763 1 . GLY 61 61 15763 1 . GLY 62 62 15763 1 . MET 63 63 15763 1 . ALA 64 64 15763 1 . SER 65 65 15763 1 . GLY 66 66 15763 1 . PRO 67 67 15763 1 . CYS 68 68 15763 1 . GLY 69 69 15763 1 . GLU 70 70 15763 1 . GLN 71 71 15763 1 . PHE 72 72 15763 1 . LYS 73 73 15763 1 . SER 74 74 15763 1 . ALA 75 75 15763 1 . PHE 76 76 15763 1 . SER 77 77 15763 1 . CYS 78 78 15763 1 . PHE 79 79 15763 1 . HIS 80 80 15763 1 . TYR 81 81 15763 1 . SER 82 82 15763 1 . THR 83 83 15763 1 . GLU 84 84 15763 1 . GLU 85 85 15763 1 . ILE 86 86 15763 1 . LYS 87 87 15763 1 . GLY 88 88 15763 1 . SER 89 89 15763 1 . ASP 90 90 15763 1 . CYS 91 91 15763 1 . VAL 92 92 15763 1 . ASP 93 93 15763 1 . GLN 94 94 15763 1 . PHE 95 95 15763 1 . ARG 96 96 15763 1 . ALA 97 97 15763 1 . MET 98 98 15763 1 . GLN 99 99 15763 1 . GLU 100 100 15763 1 . CYS 101 101 15763 1 . MET 102 102 15763 1 . GLN 103 103 15763 1 . LYS 104 104 15763 1 . TYR 105 105 15763 1 . PRO 106 106 15763 1 . ASP 107 107 15763 1 . LEU 108 108 15763 1 . TYR 109 109 15763 1 . PRO 110 110 15763 1 . GLN 111 111 15763 1 . GLU 112 112 15763 1 . ASP 113 113 15763 1 . GLU 114 114 15763 1 . ASP 115 115 15763 1 . GLU 116 116 15763 1 . GLU 117 117 15763 1 . GLU 118 118 15763 1 . GLU 119 119 15763 1 . ARG 120 120 15763 1 . GLU 121 121 15763 1 . LYS 122 122 15763 1 . LYS 123 123 15763 1 . PRO 124 124 15763 1 . ALA 125 125 15763 1 . GLU 126 126 15763 1 . GLN 127 127 15763 1 . ALA 128 128 15763 1 . GLU 129 129 15763 1 . GLU 130 130 15763 1 . THR 131 131 15763 1 . ALA 132 132 15763 1 . PRO 133 133 15763 1 . ILE 134 134 15763 1 . GLU 135 135 15763 1 . ALA 136 136 15763 1 . THR 137 137 15763 1 . ALA 138 138 15763 1 . THR 139 139 15763 1 . LYS 140 140 15763 1 . GLU 141 141 15763 1 . GLU 142 142 15763 1 . GLU 143 143 15763 1 . GLY 144 144 15763 1 . SER 145 145 15763 1 . SER 146 146 15763 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 15763 _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 $Human_Mia40 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'Mitochondrial intermembrane space import and assembly protein 40' . . . . 15763 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 15763 _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 $Human_Mia40 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Origami-pLysS . . . . . . . . . . . . . . . pDEST/HIS-MBP . . . . . . 15763 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15763 _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 'Human Mia40' '[U-100% 15N]' . . 1 $Human_Mia40 . . 0.5-1 . . mM . . . . 15763 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15763 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15763 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 15763 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15763 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human Mia40' '[U-100% 13C; U-100% 15N]' . . 1 $Human_Mia40 . . 0.5-1 . . mM . . . . 15763 2 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15763 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15763 2 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 15763 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15763 _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' 50 . mM 15763 1 pH 7.0 . pH 15763 1 pressure 1 . atm 15763 1 temperature 298 . K 15763 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15763 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15763 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15763 1 processing 15763 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15763 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15763 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15763 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15763 _Software.ID 3 _Software.Name AMBER _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15763 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15763 3 refinement 15763 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15763 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15763 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15763 4 'peak picking' 15763 4 stop_ save_ save_PECAN _Software.Sf_category software _Software.Sf_framecode PECAN _Software.Entry_ID 15763 _Software.ID 5 _Software.Name PECAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Eghbalnia . . 15763 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Prediction of secondary structure' 15763 5 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 15763 _Software.ID 6 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 15763 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' 15763 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15763 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15763 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure validation' 15763 7 stop_ save_ save_ATNOSCANDID _Software.Sf_category software _Software.Sf_framecode ATNOSCANDID _Software.Entry_ID 15763 _Software.ID 8 _Software.Name ATHNOS-CANDID _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 15763 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NOEs assignment' 15763 8 'peak picking' 15763 8 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 15763 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15763 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15763 _NMR_spectrometer.ID 3 _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 15763 _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 . 900 . . . 15763 1 2 spectrometer_2 Bruker Avance . 500 . . . 15763 1 3 spectrometer_3 Bruker Avance . 600 . . . 15763 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 15763 _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 . . . . . . . . . . . . . . . . 15763 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15763 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15763 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15763 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15763 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15763 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15763 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15763 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15763 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15763 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15763 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15763 1 13 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15763 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 15763 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15763 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15763 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15763 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 15763 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 15763 1 6 '3D HNCACB' . . . 15763 1 9 '3D 1H-15N NOESY' . . . 15763 1 10 '3D 1H-13C NOESY' . . . 15763 1 11 '3D HCCH-TOCSY' . . . 15763 1 12 '2D 1H-1H TOCSY' . . . 15763 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CARA . . 15763 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 45 45 GLY H H 1 8.31 0.02 . 1 . . . . 45 GLY H . 15763 1 2 . 1 1 45 45 GLY HA2 H 1 3.62 0.02 . 2 . . . . 45 GLY HA2 . 15763 1 3 . 1 1 45 45 GLY HA3 H 1 3.94 0.02 . 2 . . . . 45 GLY HA3 . 15763 1 4 . 1 1 45 45 GLY C C 13 171.0 0.3 . 1 . . . . 45 GLY C . 15763 1 5 . 1 1 45 45 GLY CA C 13 42.7 0.3 . 1 . . . . 45 GLY CA . 15763 1 6 . 1 1 45 45 GLY N N 15 109.3 0.3 . 1 . . . . 45 GLY N . 15763 1 7 . 1 1 46 46 LEU HA H 1 3.97 0.02 . 1 . . . . 46 LEU HA . 15763 1 8 . 1 1 46 46 LEU HB2 H 1 1.42 0.02 . 2 . . . . 46 LEU HB2 . 15763 1 9 . 1 1 46 46 LEU HB3 H 1 1.49 0.02 . 2 . . . . 46 LEU HB3 . 15763 1 10 . 1 1 46 46 LEU HD11 H 1 0.61 0.02 . 1 . . . . 46 LEU HD1 . 15763 1 11 . 1 1 46 46 LEU HD12 H 1 0.61 0.02 . 1 . . . . 46 LEU HD1 . 15763 1 12 . 1 1 46 46 LEU HD13 H 1 0.61 0.02 . 1 . . . . 46 LEU HD1 . 15763 1 13 . 1 1 46 46 LEU HD21 H 1 0.63 0.02 . 1 . . . . 46 LEU HD2 . 15763 1 14 . 1 1 46 46 LEU HD22 H 1 0.63 0.02 . 1 . . . . 46 LEU HD2 . 15763 1 15 . 1 1 46 46 LEU HD23 H 1 0.63 0.02 . 1 . . . . 46 LEU HD2 . 15763 1 16 . 1 1 46 46 LEU HG H 1 0.65 0.02 . 1 . . . . 46 LEU HG . 15763 1 17 . 1 1 46 46 LEU CA C 13 55.0 0.3 . 1 . . . . 46 LEU CA . 15763 1 18 . 1 1 46 46 LEU CB C 13 40.3 0.3 . 1 . . . . 46 LEU CB . 15763 1 19 . 1 1 46 46 LEU CD1 C 13 21.6 0.3 . 1 . . . . 46 LEU CD1 . 15763 1 20 . 1 1 46 46 LEU CD2 C 13 21.5 0.3 . 1 . . . . 46 LEU CD2 . 15763 1 21 . 1 1 46 46 LEU CG C 13 23.0 0.3 . 1 . . . . 46 LEU CG . 15763 1 22 . 1 1 47 47 ILE H H 1 7.57 0.02 . 1 . . . . 47 ILE H . 15763 1 23 . 1 1 47 47 ILE HA H 1 4.27 0.02 . 1 . . . . 47 ILE HA . 15763 1 24 . 1 1 47 47 ILE HB H 1 1.73 0.02 . 1 . . . . 47 ILE HB . 15763 1 25 . 1 1 47 47 ILE HD11 H 1 0.21 0.02 . 1 . . . . 47 ILE HD1 . 15763 1 26 . 1 1 47 47 ILE HD12 H 1 0.21 0.02 . 1 . . . . 47 ILE HD1 . 15763 1 27 . 1 1 47 47 ILE HD13 H 1 0.21 0.02 . 1 . . . . 47 ILE HD1 . 15763 1 28 . 1 1 47 47 ILE HG12 H 1 1.18 0.02 . 2 . . . . 47 ILE HG12 . 15763 1 29 . 1 1 47 47 ILE HG13 H 1 1.12 0.02 . 2 . . . . 47 ILE HG13 . 15763 1 30 . 1 1 47 47 ILE HG21 H 1 0.76 0.02 . 1 . . . . 47 ILE HG2 . 15763 1 31 . 1 1 47 47 ILE HG22 H 1 0.76 0.02 . 1 . . . . 47 ILE HG2 . 15763 1 32 . 1 1 47 47 ILE HG23 H 1 0.76 0.02 . 1 . . . . 47 ILE HG2 . 15763 1 33 . 1 1 47 47 ILE C C 13 174.5 0.3 . 1 . . . . 47 ILE C . 15763 1 34 . 1 1 47 47 ILE CA C 13 54.6 0.3 . 1 . . . . 47 ILE CA . 15763 1 35 . 1 1 47 47 ILE CB C 13 34.5 0.3 . 1 . . . . 47 ILE CB . 15763 1 36 . 1 1 47 47 ILE CD1 C 13 7.6 0.3 . 1 . . . . 47 ILE CD1 . 15763 1 37 . 1 1 47 47 ILE CG1 C 13 23.6 0.3 . 1 . . . . 47 ILE CG1 . 15763 1 38 . 1 1 47 47 ILE CG2 C 13 14.3 0.3 . 1 . . . . 47 ILE CG2 . 15763 1 39 . 1 1 47 47 ILE N N 15 115.0 0.3 . 1 . . . . 47 ILE N . 15763 1 40 . 1 1 48 48 LEU H H 1 8.76 0.02 . 1 . . . . 48 LEU H . 15763 1 41 . 1 1 48 48 LEU HA H 1 4.26 0.02 . 1 . . . . 48 LEU HA . 15763 1 42 . 1 1 48 48 LEU HB2 H 1 1.76 0.02 . 2 . . . . 48 LEU HB2 . 15763 1 43 . 1 1 48 48 LEU HB3 H 1 1.35 0.02 . 2 . . . . 48 LEU HB3 . 15763 1 44 . 1 1 48 48 LEU HD11 H 1 0.71 0.02 . 1 . . . . 48 LEU HD1 . 15763 1 45 . 1 1 48 48 LEU HD12 H 1 0.71 0.02 . 1 . . . . 48 LEU HD1 . 15763 1 46 . 1 1 48 48 LEU HD13 H 1 0.71 0.02 . 1 . . . . 48 LEU HD1 . 15763 1 47 . 1 1 48 48 LEU HD21 H 1 0.71 0.02 . 1 . . . . 48 LEU HD2 . 15763 1 48 . 1 1 48 48 LEU HD22 H 1 0.71 0.02 . 1 . . . . 48 LEU HD2 . 15763 1 49 . 1 1 48 48 LEU HD23 H 1 0.71 0.02 . 1 . . . . 48 LEU HD2 . 15763 1 50 . 1 1 48 48 LEU HG H 1 0.71 0.02 . 1 . . . . 48 LEU HG . 15763 1 51 . 1 1 48 48 LEU C C 13 174.4 0.3 . 1 . . . . 48 LEU C . 15763 1 52 . 1 1 48 48 LEU CA C 13 51.2 0.3 . 1 . . . . 48 LEU CA . 15763 1 53 . 1 1 48 48 LEU CB C 13 37.8 0.3 . 1 . . . . 48 LEU CB . 15763 1 54 . 1 1 48 48 LEU CD1 C 13 19.6 0.3 . 1 . . . . 48 LEU CD1 . 15763 1 55 . 1 1 48 48 LEU CD2 C 13 19.6 0.3 . 1 . . . . 48 LEU CD2 . 15763 1 56 . 1 1 48 48 LEU CG C 13 22.9 0.3 . 1 . . . . 48 LEU CG . 15763 1 57 . 1 1 48 48 LEU N N 15 127.4 0.3 . 1 . . . . 48 LEU N . 15763 1 58 . 1 1 49 49 PRO HA H 1 4.17 0.02 . 1 . . . . 49 PRO HA . 15763 1 59 . 1 1 49 49 PRO HB2 H 1 2.26 0.02 . 2 . . . . 49 PRO HB2 . 15763 1 60 . 1 1 49 49 PRO HB3 H 1 1.75 0.02 . 2 . . . . 49 PRO HB3 . 15763 1 61 . 1 1 49 49 PRO HD2 H 1 3.58 0.02 . 1 . . . . 49 PRO HD2 . 15763 1 62 . 1 1 49 49 PRO HG2 H 1 1.91 0.02 . 1 . . . . 49 PRO HG2 . 15763 1 63 . 1 1 49 49 PRO CA C 13 62.5 0.3 . 1 . . . . 49 PRO CA . 15763 1 64 . 1 1 49 49 PRO CB C 13 28.9 0.3 . 1 . . . . 49 PRO CB . 15763 1 65 . 1 1 49 49 PRO CD C 13 47.4 0.3 . 1 . . . . 49 PRO CD . 15763 1 66 . 1 1 49 49 PRO CG C 13 24.8 0.3 . 1 . . . . 49 PRO CG . 15763 1 67 . 1 1 50 50 ASN H H 1 7.18 0.02 . 1 . . . . 50 ASN H . 15763 1 68 . 1 1 50 50 ASN HA H 1 4.42 0.02 . 1 . . . . 50 ASN HA . 15763 1 69 . 1 1 50 50 ASN HB2 H 1 3.10 0.02 . 2 . . . . 50 ASN HB2 . 15763 1 70 . 1 1 50 50 ASN HB3 H 1 2.66 0.02 . 2 . . . . 50 ASN HB3 . 15763 1 71 . 1 1 50 50 ASN HD21 H 1 6.43 0.02 . 1 . . . . 50 ASN HD21 . 15763 1 72 . 1 1 50 50 ASN HD22 H 1 7.28 0.02 . 1 . . . . 50 ASN HD22 . 15763 1 73 . 1 1 50 50 ASN C C 13 173.7 0.3 . 1 . . . . 50 ASN C . 15763 1 74 . 1 1 50 50 ASN CA C 13 49.5 0.3 . 1 . . . . 50 ASN CA . 15763 1 75 . 1 1 50 50 ASN CB C 13 34.4 0.3 . 1 . . . . 50 ASN CB . 15763 1 76 . 1 1 50 50 ASN N N 15 111.0 0.3 . 1 . . . . 50 ASN N . 15763 1 77 . 1 1 50 50 ASN ND2 N 15 107.2 0.3 . 1 . . . . 50 ASN ND2 . 15763 1 78 . 1 1 51 51 GLY H H 1 8.37 0.02 . 1 . . . . 51 GLY H . 15763 1 79 . 1 1 51 51 GLY HA2 H 1 4.22 0.02 . 2 . . . . 51 GLY HA2 . 15763 1 80 . 1 1 51 51 GLY HA3 H 1 3.40 0.02 . 2 . . . . 51 GLY HA3 . 15763 1 81 . 1 1 51 51 GLY C C 13 171.5 0.3 . 1 . . . . 51 GLY C . 15763 1 82 . 1 1 51 51 GLY CA C 13 42.2 0.3 . 1 . . . . 51 GLY CA . 15763 1 83 . 1 1 51 51 GLY N N 15 108.4 0.3 . 1 . . . . 51 GLY N . 15763 1 84 . 1 1 52 52 ASN H H 1 7.81 0.02 . 1 . . . . 52 ASN H . 15763 1 85 . 1 1 52 52 ASN HA H 1 4.67 0.02 . 1 . . . . 52 ASN HA . 15763 1 86 . 1 1 52 52 ASN HB2 H 1 2.75 0.02 . 2 . . . . 52 ASN HB2 . 15763 1 87 . 1 1 52 52 ASN HB3 H 1 2.79 0.02 . 2 . . . . 52 ASN HB3 . 15763 1 88 . 1 1 52 52 ASN HD21 H 1 6.92 0.02 . 1 . . . . 52 ASN HD21 . 15763 1 89 . 1 1 52 52 ASN HD22 H 1 7.07 0.02 . 1 . . . . 52 ASN HD22 . 15763 1 90 . 1 1 52 52 ASN C C 13 170.9 0.3 . 1 . . . . 52 ASN C . 15763 1 91 . 1 1 52 52 ASN CA C 13 49.4 0.3 . 1 . . . . 52 ASN CA . 15763 1 92 . 1 1 52 52 ASN CB C 13 36.1 0.3 . 1 . . . . 52 ASN CB . 15763 1 93 . 1 1 52 52 ASN N N 15 119.1 0.3 . 1 . . . . 52 ASN N . 15763 1 94 . 1 1 52 52 ASN ND2 N 15 110.8 0.3 . 1 . . . . 52 ASN ND2 . 15763 1 95 . 1 1 53 53 ILE H H 1 8.07 0.02 . 1 . . . . 53 ILE H . 15763 1 96 . 1 1 53 53 ILE HA H 1 3.47 0.02 . 1 . . . . 53 ILE HA . 15763 1 97 . 1 1 53 53 ILE HB H 1 0.52 0.02 . 1 . . . . 53 ILE HB . 15763 1 98 . 1 1 53 53 ILE HD11 H 1 0.48 0.02 . 1 . . . . 53 ILE HD1 . 15763 1 99 . 1 1 53 53 ILE HD12 H 1 0.48 0.02 . 1 . . . . 53 ILE HD1 . 15763 1 100 . 1 1 53 53 ILE HD13 H 1 0.48 0.02 . 1 . . . . 53 ILE HD1 . 15763 1 101 . 1 1 53 53 ILE HG12 H 1 0.15 0.02 . 2 . . . . 53 ILE HG12 . 15763 1 102 . 1 1 53 53 ILE HG13 H 1 1.30 0.02 . 2 . . . . 53 ILE HG13 . 15763 1 103 . 1 1 53 53 ILE HG21 H 1 -0.83 0.02 . 1 . . . . 53 ILE HG2 . 15763 1 104 . 1 1 53 53 ILE HG22 H 1 -0.83 0.02 . 1 . . . . 53 ILE HG2 . 15763 1 105 . 1 1 53 53 ILE HG23 H 1 -0.83 0.02 . 1 . . . . 53 ILE HG2 . 15763 1 106 . 1 1 53 53 ILE C C 13 172.3 0.3 . 1 . . . . 53 ILE C . 15763 1 107 . 1 1 53 53 ILE CA C 13 59.1 0.3 . 1 . . . . 53 ILE CA . 15763 1 108 . 1 1 53 53 ILE CB C 13 36.0 0.3 . 1 . . . . 53 ILE CB . 15763 1 109 . 1 1 53 53 ILE CD1 C 13 11.1 0.3 . 1 . . . . 53 ILE CD1 . 15763 1 110 . 1 1 53 53 ILE CG1 C 13 26.0 0.3 . 1 . . . . 53 ILE CG1 . 15763 1 111 . 1 1 53 53 ILE CG2 C 13 12.7 0.3 . 1 . . . . 53 ILE CG2 . 15763 1 112 . 1 1 53 53 ILE N N 15 120.1 0.3 . 1 . . . . 53 ILE N . 15763 1 113 . 1 1 54 54 ASN H H 1 8.70 0.02 . 1 . . . . 54 ASN H . 15763 1 114 . 1 1 54 54 ASN HA H 1 4.35 0.02 . 1 . . . . 54 ASN HA . 15763 1 115 . 1 1 54 54 ASN HB2 H 1 3.24 0.02 . 2 . . . . 54 ASN HB2 . 15763 1 116 . 1 1 54 54 ASN HB3 H 1 2.09 0.02 . 2 . . . . 54 ASN HB3 . 15763 1 117 . 1 1 54 54 ASN HD21 H 1 7.01 0.02 . 1 . . . . 54 ASN HD21 . 15763 1 118 . 1 1 54 54 ASN HD22 H 1 7.70 0.02 . 1 . . . . 54 ASN HD22 . 15763 1 119 . 1 1 54 54 ASN C C 13 172.3 0.3 . 1 . . . . 54 ASN C . 15763 1 120 . 1 1 54 54 ASN CA C 13 47.5 0.3 . 1 . . . . 54 ASN CA . 15763 1 121 . 1 1 54 54 ASN CB C 13 34.2 0.3 . 1 . . . . 54 ASN CB . 15763 1 122 . 1 1 54 54 ASN N N 15 123.2 0.3 . 1 . . . . 54 ASN N . 15763 1 123 . 1 1 54 54 ASN ND2 N 15 110.3 0.3 . 1 . . . . 54 ASN ND2 . 15763 1 124 . 1 1 55 55 TRP H H 1 7.52 0.02 . 1 . . . . 55 TRP H . 15763 1 125 . 1 1 55 55 TRP HA H 1 4.30 0.02 . 1 . . . . 55 TRP HA . 15763 1 126 . 1 1 55 55 TRP HB2 H 1 3.24 0.02 . 2 . . . . 55 TRP HB2 . 15763 1 127 . 1 1 55 55 TRP HB3 H 1 2.85 0.02 . 2 . . . . 55 TRP HB3 . 15763 1 128 . 1 1 55 55 TRP HD1 H 1 7.30 0.02 . 1 . . . . 55 TRP HD1 . 15763 1 129 . 1 1 55 55 TRP HE1 H 1 10.10 0.02 . 1 . . . . 55 TRP HE1 . 15763 1 130 . 1 1 55 55 TRP HE3 H 1 7.31 0.02 . 1 . . . . 55 TRP HE3 . 15763 1 131 . 1 1 55 55 TRP HH2 H 1 7.35 0.02 . 1 . . . . 55 TRP HH2 . 15763 1 132 . 1 1 55 55 TRP HZ2 H 1 7.46 0.02 . 1 . . . . 55 TRP HZ2 . 15763 1 133 . 1 1 55 55 TRP HZ3 H 1 6.71 0.02 . 1 . . . . 55 TRP HZ3 . 15763 1 134 . 1 1 55 55 TRP C C 13 172.1 0.3 . 1 . . . . 55 TRP C . 15763 1 135 . 1 1 55 55 TRP CA C 13 55.2 0.3 . 1 . . . . 55 TRP CA . 15763 1 136 . 1 1 55 55 TRP CB C 13 26.4 0.3 . 1 . . . . 55 TRP CB . 15763 1 137 . 1 1 55 55 TRP N N 15 124.6 0.3 . 1 . . . . 55 TRP N . 15763 1 138 . 1 1 56 56 ASN H H 1 7.38 0.02 . 1 . . . . 56 ASN H . 15763 1 139 . 1 1 56 56 ASN HA H 1 4.72 0.02 . 1 . . . . 56 ASN HA . 15763 1 140 . 1 1 56 56 ASN HB2 H 1 2.86 0.02 . 2 . . . . 56 ASN HB2 . 15763 1 141 . 1 1 56 56 ASN HB3 H 1 2.57 0.02 . 2 . . . . 56 ASN HB3 . 15763 1 142 . 1 1 56 56 ASN HD21 H 1 6.88 0.02 . 1 . . . . 56 ASN HD21 . 15763 1 143 . 1 1 56 56 ASN HD22 H 1 7.63 0.02 . 1 . . . . 56 ASN HD22 . 15763 1 144 . 1 1 56 56 ASN C C 13 172.1 0.3 . 1 . . . . 56 ASN C . 15763 1 145 . 1 1 56 56 ASN CA C 13 49.5 0.3 . 1 . . . . 56 ASN CA . 15763 1 146 . 1 1 56 56 ASN CB C 13 36.2 0.3 . 1 . . . . 56 ASN CB . 15763 1 147 . 1 1 56 56 ASN N N 15 112.5 0.3 . 1 . . . . 56 ASN N . 15763 1 148 . 1 1 56 56 ASN ND2 N 15 113.5 0.3 . 1 . . . . 56 ASN ND2 . 15763 1 149 . 1 1 57 57 CYS H H 1 7.46 0.02 . 1 . . . . 57 CYS H . 15763 1 150 . 1 1 57 57 CYS HA H 1 4.28 0.02 . 1 . . . . 57 CYS HA . 15763 1 151 . 1 1 57 57 CYS HB2 H 1 3.14 0.02 . 2 . . . . 57 CYS HB2 . 15763 1 152 . 1 1 57 57 CYS HB3 H 1 2.49 0.02 . 2 . . . . 57 CYS HB3 . 15763 1 153 . 1 1 57 57 CYS C C 13 173.0 0.3 . 1 . . . . 57 CYS C . 15763 1 154 . 1 1 57 57 CYS CA C 13 54.9 0.3 . 1 . . . . 57 CYS CA . 15763 1 155 . 1 1 57 57 CYS CB C 13 25.0 0.3 . 1 . . . . 57 CYS CB . 15763 1 156 . 1 1 57 57 CYS N N 15 123.0 0.3 . 1 . . . . 57 CYS N . 15763 1 157 . 1 1 58 58 PRO HA H 1 4.20 0.02 . 1 . . . . 58 PRO HA . 15763 1 158 . 1 1 58 58 PRO HB2 H 1 1.94 0.02 . 2 . . . . 58 PRO HB2 . 15763 1 159 . 1 1 58 58 PRO HB3 H 1 2.31 0.02 . 2 . . . . 58 PRO HB3 . 15763 1 160 . 1 1 58 58 PRO HD2 H 1 3.94 0.02 . 1 . . . . 58 PRO HD2 . 15763 1 161 . 1 1 58 58 PRO HG2 H 1 1.94 0.02 . 1 . . . . 58 PRO HG2 . 15763 1 162 . 1 1 58 58 PRO CA C 13 62.7 0.3 . 1 . . . . 58 PRO CA . 15763 1 163 . 1 1 58 58 PRO CB C 13 29.3 0.3 . 1 . . . . 58 PRO CB . 15763 1 164 . 1 1 58 58 PRO CD C 13 49.3 0.3 . 1 . . . . 58 PRO CD . 15763 1 165 . 1 1 58 58 PRO CG C 13 25.0 0.3 . 1 . . . . 58 PRO CG . 15763 1 166 . 1 1 59 59 CYS HA H 1 4.39 0.02 . 1 . . . . 59 CYS HA . 15763 1 167 . 1 1 59 59 CYS HB2 H 1 2.89 0.02 . 1 . . . . 59 CYS HB2 . 15763 1 168 . 1 1 59 59 CYS CA C 13 57.0 0.3 . 1 . . . . 59 CYS CA . 15763 1 169 . 1 1 59 59 CYS CB C 13 24.4 0.3 . 1 . . . . 59 CYS CB . 15763 1 170 . 1 1 60 60 LEU H H 1 7.50 0.02 . 1 . . . . 60 LEU H . 15763 1 171 . 1 1 60 60 LEU HA H 1 4.18 0.02 . 1 . . . . 60 LEU HA . 15763 1 172 . 1 1 60 60 LEU HB2 H 1 1.74 0.02 . 2 . . . . 60 LEU HB2 . 15763 1 173 . 1 1 60 60 LEU HB3 H 1 1.42 0.02 . 2 . . . . 60 LEU HB3 . 15763 1 174 . 1 1 60 60 LEU HD11 H 1 0.11 0.02 . 1 . . . . 60 LEU HD1 . 15763 1 175 . 1 1 60 60 LEU HD12 H 1 0.11 0.02 . 1 . . . . 60 LEU HD1 . 15763 1 176 . 1 1 60 60 LEU HD13 H 1 0.11 0.02 . 1 . . . . 60 LEU HD1 . 15763 1 177 . 1 1 60 60 LEU HD21 H 1 0.11 0.02 . 1 . . . . 60 LEU HD2 . 15763 1 178 . 1 1 60 60 LEU HD22 H 1 0.11 0.02 . 1 . . . . 60 LEU HD2 . 15763 1 179 . 1 1 60 60 LEU HD23 H 1 0.11 0.02 . 1 . . . . 60 LEU HD2 . 15763 1 180 . 1 1 60 60 LEU HG H 1 0.60 0.02 . 1 . . . . 60 LEU HG . 15763 1 181 . 1 1 60 60 LEU C C 13 175.7 0.3 . 1 . . . . 60 LEU C . 15763 1 182 . 1 1 60 60 LEU CA C 13 52.0 0.3 . 1 . . . . 60 LEU CA . 15763 1 183 . 1 1 60 60 LEU CB C 13 39.0 0.3 . 1 . . . . 60 LEU CB . 15763 1 184 . 1 1 60 60 LEU CD1 C 13 19.3 0.3 . 1 . . . . 60 LEU CD1 . 15763 1 185 . 1 1 60 60 LEU CD2 C 13 19.0 0.3 . 1 . . . . 60 LEU CD2 . 15763 1 186 . 1 1 60 60 LEU CG C 13 23.5 0.3 . 1 . . . . 60 LEU CG . 15763 1 187 . 1 1 60 60 LEU N N 15 117.7 0.3 . 1 . . . . 60 LEU N . 15763 1 188 . 1 1 61 61 GLY H H 1 7.88 0.02 . 1 . . . . 61 GLY H . 15763 1 189 . 1 1 61 61 GLY HA2 H 1 3.83 0.02 . 2 . . . . 61 GLY HA2 . 15763 1 190 . 1 1 61 61 GLY HA3 H 1 3.68 0.02 . 2 . . . . 61 GLY HA3 . 15763 1 191 . 1 1 61 61 GLY C C 13 172.7 0.3 . 1 . . . . 61 GLY C . 15763 1 192 . 1 1 61 61 GLY CA C 13 44.7 0.3 . 1 . . . . 61 GLY CA . 15763 1 193 . 1 1 61 61 GLY N N 15 105.7 0.3 . 1 . . . . 61 GLY N . 15763 1 194 . 1 1 62 62 GLY H H 1 8.58 0.02 . 1 . . . . 62 GLY H . 15763 1 195 . 1 1 62 62 GLY HA2 H 1 3.81 0.02 . 2 . . . . 62 GLY HA2 . 15763 1 196 . 1 1 62 62 GLY HA3 H 1 3.68 0.02 . 2 . . . . 62 GLY HA3 . 15763 1 197 . 1 1 62 62 GLY C C 13 174.0 0.3 . 1 . . . . 62 GLY C . 15763 1 198 . 1 1 62 62 GLY CA C 13 42.8 0.3 . 1 . . . . 62 GLY CA . 15763 1 199 . 1 1 62 62 GLY N N 15 108.5 0.3 . 1 . . . . 62 GLY N . 15763 1 200 . 1 1 63 63 MET H H 1 7.46 0.02 . 1 . . . . 63 MET H . 15763 1 201 . 1 1 63 63 MET HA H 1 3.87 0.02 . 1 . . . . 63 MET HA . 15763 1 202 . 1 1 63 63 MET HB2 H 1 0.44 0.02 . 2 . . . . 63 MET HB2 . 15763 1 203 . 1 1 63 63 MET HB3 H 1 0.77 0.02 . 2 . . . . 63 MET HB3 . 15763 1 204 . 1 1 63 63 MET HG2 H 1 2.11 0.02 . 2 . . . . 63 MET HG2 . 15763 1 205 . 1 1 63 63 MET HG3 H 1 2.17 0.02 . 2 . . . . 63 MET HG3 . 15763 1 206 . 1 1 63 63 MET C C 13 174.6 0.3 . 1 . . . . 63 MET C . 15763 1 207 . 1 1 63 63 MET CA C 13 54.4 0.3 . 1 . . . . 63 MET CA . 15763 1 208 . 1 1 63 63 MET CB C 13 27.6 0.3 . 1 . . . . 63 MET CB . 15763 1 209 . 1 1 63 63 MET CG C 13 30.5 0.3 . 1 . . . . 63 MET CG . 15763 1 210 . 1 1 63 63 MET N N 15 118.5 0.3 . 1 . . . . 63 MET N . 15763 1 211 . 1 1 64 64 ALA H H 1 8.08 0.02 . 1 . . . . 64 ALA H . 15763 1 212 . 1 1 64 64 ALA HA H 1 4.22 0.02 . 1 . . . . 64 ALA HA . 15763 1 213 . 1 1 64 64 ALA HB1 H 1 1.37 0.02 . 1 . . . . 64 ALA HB . 15763 1 214 . 1 1 64 64 ALA HB2 H 1 1.37 0.02 . 1 . . . . 64 ALA HB . 15763 1 215 . 1 1 64 64 ALA HB3 H 1 1.37 0.02 . 1 . . . . 64 ALA HB . 15763 1 216 . 1 1 64 64 ALA C C 13 173.8 0.3 . 1 . . . . 64 ALA C . 15763 1 217 . 1 1 64 64 ALA CA C 13 50.4 0.3 . 1 . . . . 64 ALA CA . 15763 1 218 . 1 1 64 64 ALA CB C 13 16.5 0.3 . 1 . . . . 64 ALA CB . 15763 1 219 . 1 1 64 64 ALA N N 15 117.5 0.3 . 1 . . . . 64 ALA N . 15763 1 220 . 1 1 65 65 SER H H 1 7.46 0.02 . 1 . . . . 65 SER H . 15763 1 221 . 1 1 65 65 SER HA H 1 4.57 0.02 . 1 . . . . 65 SER HA . 15763 1 222 . 1 1 65 65 SER HB2 H 1 3.73 0.02 . 2 . . . . 65 SER HB2 . 15763 1 223 . 1 1 65 65 SER HB3 H 1 3.76 0.02 . 2 . . . . 65 SER HB3 . 15763 1 224 . 1 1 65 65 SER C C 13 171.5 0.3 . 1 . . . . 65 SER C . 15763 1 225 . 1 1 65 65 SER CA C 13 54.8 0.3 . 1 . . . . 65 SER CA . 15763 1 226 . 1 1 65 65 SER CB C 13 61.8 0.3 . 1 . . . . 65 SER CB . 15763 1 227 . 1 1 65 65 SER N N 15 111.2 0.3 . 1 . . . . 65 SER N . 15763 1 228 . 1 1 66 66 GLY H H 1 7.48 0.02 . 1 . . . . 66 GLY H . 15763 1 229 . 1 1 66 66 GLY HA2 H 1 3.98 0.02 . 2 . . . . 66 GLY HA2 . 15763 1 230 . 1 1 66 66 GLY HA3 H 1 4.03 0.02 . 2 . . . . 66 GLY HA3 . 15763 1 231 . 1 1 66 66 GLY C C 13 170.6 0.3 . 1 . . . . 66 GLY C . 15763 1 232 . 1 1 66 66 GLY CA C 13 42.0 0.3 . 1 . . . . 66 GLY CA . 15763 1 233 . 1 1 66 66 GLY N N 15 108.8 0.3 . 1 . . . . 66 GLY N . 15763 1 234 . 1 1 67 67 PRO HA H 1 4.21 0.02 . 1 . . . . 67 PRO HA . 15763 1 235 . 1 1 67 67 PRO HB2 H 1 1.80 0.02 . 2 . . . . 67 PRO HB2 . 15763 1 236 . 1 1 67 67 PRO HB3 H 1 1.30 0.02 . 2 . . . . 67 PRO HB3 . 15763 1 237 . 1 1 67 67 PRO HD2 H 1 3.39 0.02 . 2 . . . . 67 PRO HD2 . 15763 1 238 . 1 1 67 67 PRO HD3 H 1 3.28 0.02 . 2 . . . . 67 PRO HD3 . 15763 1 239 . 1 1 67 67 PRO HG2 H 1 1.21 0.02 . 2 . . . . 67 PRO HG2 . 15763 1 240 . 1 1 67 67 PRO HG3 H 1 1.25 0.02 . 2 . . . . 67 PRO HG3 . 15763 1 241 . 1 1 67 67 PRO CA C 13 62.0 0.3 . 1 . . . . 67 PRO CA . 15763 1 242 . 1 1 67 67 PRO CB C 13 28.9 0.3 . 1 . . . . 67 PRO CB . 15763 1 243 . 1 1 67 67 PRO CD C 13 46.6 0.3 . 1 . . . . 67 PRO CD . 15763 1 244 . 1 1 67 67 PRO CG C 13 24.4 0.3 . 1 . . . . 67 PRO CG . 15763 1 245 . 1 1 68 68 CYS H H 1 7.70 0.02 . 1 . . . . 68 CYS H . 15763 1 246 . 1 1 68 68 CYS HA H 1 5.45 0.02 . 1 . . . . 68 CYS HA . 15763 1 247 . 1 1 68 68 CYS HB2 H 1 3.19 0.02 . 2 . . . . 68 CYS HB2 . 15763 1 248 . 1 1 68 68 CYS HB3 H 1 2.17 0.02 . 2 . . . . 68 CYS HB3 . 15763 1 249 . 1 1 68 68 CYS C C 13 173.5 0.3 . 1 . . . . 68 CYS C . 15763 1 250 . 1 1 68 68 CYS CA C 13 49.5 0.3 . 1 . . . . 68 CYS CA . 15763 1 251 . 1 1 68 68 CYS CB C 13 36.2 0.3 . 1 . . . . 68 CYS CB . 15763 1 252 . 1 1 68 68 CYS N N 15 115.3 0.3 . 1 . . . . 68 CYS N . 15763 1 253 . 1 1 69 69 GLY H H 1 7.84 0.02 . 1 . . . . 69 GLY H . 15763 1 254 . 1 1 69 69 GLY HA2 H 1 3.95 0.02 . 2 . . . . 69 GLY HA2 . 15763 1 255 . 1 1 69 69 GLY HA3 H 1 3.55 0.02 . 2 . . . . 69 GLY HA3 . 15763 1 256 . 1 1 69 69 GLY C C 13 173.3 0.3 . 1 . . . . 69 GLY C . 15763 1 257 . 1 1 69 69 GLY CA C 13 45.2 0.3 . 1 . . . . 69 GLY CA . 15763 1 258 . 1 1 69 69 GLY N N 15 110.2 0.3 . 1 . . . . 69 GLY N . 15763 1 259 . 1 1 70 70 GLU H H 1 8.65 0.02 . 1 . . . . 70 GLU H . 15763 1 260 . 1 1 70 70 GLU HA H 1 3.76 0.02 . 1 . . . . 70 GLU HA . 15763 1 261 . 1 1 70 70 GLU HB2 H 1 1.77 0.02 . 2 . . . . 70 GLU HB2 . 15763 1 262 . 1 1 70 70 GLU HB3 H 1 1.83 0.02 . 2 . . . . 70 GLU HB3 . 15763 1 263 . 1 1 70 70 GLU HG2 H 1 2.21 0.02 . 2 . . . . 70 GLU HG2 . 15763 1 264 . 1 1 70 70 GLU HG3 H 1 2.11 0.02 . 2 . . . . 70 GLU HG3 . 15763 1 265 . 1 1 70 70 GLU C C 13 176.8 0.3 . 1 . . . . 70 GLU C . 15763 1 266 . 1 1 70 70 GLU CA C 13 56.3 0.3 . 1 . . . . 70 GLU CA . 15763 1 267 . 1 1 70 70 GLU CB C 13 26.0 0.3 . 1 . . . . 70 GLU CB . 15763 1 268 . 1 1 70 70 GLU CG C 13 33.2 0.3 . 1 . . . . 70 GLU CG . 15763 1 269 . 1 1 70 70 GLU N N 15 120.0 0.3 . 1 . . . . 70 GLU N . 15763 1 270 . 1 1 71 71 GLN H H 1 8.86 0.02 . 1 . . . . 71 GLN H . 15763 1 271 . 1 1 71 71 GLN HA H 1 3.85 0.02 . 1 . . . . 71 GLN HA . 15763 1 272 . 1 1 71 71 GLN HB2 H 1 2.21 0.02 . 2 . . . . 71 GLN HB2 . 15763 1 273 . 1 1 71 71 GLN HB3 H 1 1.56 0.02 . 2 . . . . 71 GLN HB3 . 15763 1 274 . 1 1 71 71 GLN HE21 H 1 7.41 0.02 . 1 . . . . 71 GLN HE21 . 15763 1 275 . 1 1 71 71 GLN HE22 H 1 6.86 0.02 . 1 . . . . 71 GLN HE22 . 15763 1 276 . 1 1 71 71 GLN HG2 H 1 2.36 0.02 . 2 . . . . 71 GLN HG2 . 15763 1 277 . 1 1 71 71 GLN HG3 H 1 2.42 0.02 . 2 . . . . 71 GLN HG3 . 15763 1 278 . 1 1 71 71 GLN C C 13 177.4 0.3 . 1 . . . . 71 GLN C . 15763 1 279 . 1 1 71 71 GLN CA C 13 57.2 0.3 . 1 . . . . 71 GLN CA . 15763 1 280 . 1 1 71 71 GLN CB C 13 24.4 0.3 . 1 . . . . 71 GLN CB . 15763 1 281 . 1 1 71 71 GLN CG C 13 31.9 0.3 . 1 . . . . 71 GLN CG . 15763 1 282 . 1 1 71 71 GLN N N 15 120.8 0.3 . 1 . . . . 71 GLN N . 15763 1 283 . 1 1 71 71 GLN NE2 N 15 109.5 0.3 . 1 . . . . 71 GLN NE2 . 15763 1 284 . 1 1 72 72 PHE H H 1 8.89 0.02 . 1 . . . . 72 PHE H . 15763 1 285 . 1 1 72 72 PHE HA H 1 4.20 0.02 . 1 . . . . 72 PHE HA . 15763 1 286 . 1 1 72 72 PHE HB2 H 1 2.83 0.02 . 2 . . . . 72 PHE HB2 . 15763 1 287 . 1 1 72 72 PHE HB3 H 1 3.08 0.02 . 2 . . . . 72 PHE HB3 . 15763 1 288 . 1 1 72 72 PHE HD1 H 1 6.95 0.02 . 1 . . . . 72 PHE HD1 . 15763 1 289 . 1 1 72 72 PHE HE1 H 1 7.16 0.02 . 1 . . . . 72 PHE HE1 . 15763 1 290 . 1 1 72 72 PHE HZ H 1 6.80 0.02 . 1 . . . . 72 PHE HZ . 15763 1 291 . 1 1 72 72 PHE C C 13 173.5 0.3 . 1 . . . . 72 PHE C . 15763 1 292 . 1 1 72 72 PHE CA C 13 59.0 0.3 . 1 . . . . 72 PHE CA . 15763 1 293 . 1 1 72 72 PHE CB C 13 36.0 0.3 . 1 . . . . 72 PHE CB . 15763 1 294 . 1 1 72 72 PHE N N 15 123.4 0.3 . 1 . . . . 72 PHE N . 15763 1 295 . 1 1 73 73 LYS H H 1 8.48 0.02 . 1 . . . . 73 LYS H . 15763 1 296 . 1 1 73 73 LYS HA H 1 3.43 0.02 . 1 . . . . 73 LYS HA . 15763 1 297 . 1 1 73 73 LYS HB2 H 1 1.04 0.02 . 2 . . . . 73 LYS HB2 . 15763 1 298 . 1 1 73 73 LYS HB3 H 1 1.41 0.02 . 2 . . . . 73 LYS HB3 . 15763 1 299 . 1 1 73 73 LYS HD2 H 1 0.67 0.02 . 2 . . . . 73 LYS HD2 . 15763 1 300 . 1 1 73 73 LYS HD3 H 1 0.84 0.02 . 2 . . . . 73 LYS HD3 . 15763 1 301 . 1 1 73 73 LYS HE2 H 1 1.91 0.02 . 1 . . . . 73 LYS HE2 . 15763 1 302 . 1 1 73 73 LYS HG2 H 1 1.06 0.02 . 2 . . . . 73 LYS HG2 . 15763 1 303 . 1 1 73 73 LYS HG3 H 1 -1.05 0.02 . 2 . . . . 73 LYS HG3 . 15763 1 304 . 1 1 73 73 LYS C C 13 177.6 0.3 . 1 . . . . 73 LYS C . 15763 1 305 . 1 1 73 73 LYS CA C 13 56.7 0.3 . 1 . . . . 73 LYS CA . 15763 1 306 . 1 1 73 73 LYS CB C 13 29.6 0.3 . 1 . . . . 73 LYS CB . 15763 1 307 . 1 1 73 73 LYS CD C 13 26.9 0.3 . 1 . . . . 73 LYS CD . 15763 1 308 . 1 1 73 73 LYS CE C 13 38.5 0.3 . 1 . . . . 73 LYS CE . 15763 1 309 . 1 1 73 73 LYS CG C 13 21.7 0.3 . 1 . . . . 73 LYS CG . 15763 1 310 . 1 1 73 73 LYS N N 15 119.9 0.3 . 1 . . . . 73 LYS N . 15763 1 311 . 1 1 74 74 SER H H 1 7.78 0.02 . 1 . . . . 74 SER H . 15763 1 312 . 1 1 74 74 SER HA H 1 4.12 0.02 . 1 . . . . 74 SER HA . 15763 1 313 . 1 1 74 74 SER HB2 H 1 3.79 0.02 . 2 . . . . 74 SER HB2 . 15763 1 314 . 1 1 74 74 SER HB3 H 1 3.84 0.02 . 2 . . . . 74 SER HB3 . 15763 1 315 . 1 1 74 74 SER C C 13 174.3 0.3 . 1 . . . . 74 SER C . 15763 1 316 . 1 1 74 74 SER CA C 13 58.7 0.3 . 1 . . . . 74 SER CA . 15763 1 317 . 1 1 74 74 SER CB C 13 59.9 0.3 . 1 . . . . 74 SER CB . 15763 1 318 . 1 1 74 74 SER N N 15 114.2 0.3 . 1 . . . . 74 SER N . 15763 1 319 . 1 1 75 75 ALA H H 1 7.87 0.02 . 1 . . . . 75 ALA H . 15763 1 320 . 1 1 75 75 ALA HA H 1 3.84 0.02 . 1 . . . . 75 ALA HA . 15763 1 321 . 1 1 75 75 ALA HB1 H 1 1.24 0.02 . 1 . . . . 75 ALA HB . 15763 1 322 . 1 1 75 75 ALA HB2 H 1 1.24 0.02 . 1 . . . . 75 ALA HB . 15763 1 323 . 1 1 75 75 ALA HB3 H 1 1.24 0.02 . 1 . . . . 75 ALA HB . 15763 1 324 . 1 1 75 75 ALA C C 13 175.1 0.3 . 1 . . . . 75 ALA C . 15763 1 325 . 1 1 75 75 ALA CA C 13 53.2 0.3 . 1 . . . . 75 ALA CA . 15763 1 326 . 1 1 75 75 ALA CB C 13 15.5 0.3 . 1 . . . . 75 ALA CB . 15763 1 327 . 1 1 75 75 ALA N N 15 123.1 0.3 . 1 . . . . 75 ALA N . 15763 1 328 . 1 1 76 76 PHE H H 1 9.45 0.02 . 1 . . . . 76 PHE H . 15763 1 329 . 1 1 76 76 PHE HA H 1 3.70 0.02 . 1 . . . . 76 PHE HA . 15763 1 330 . 1 1 76 76 PHE HB2 H 1 2.51 0.02 . 2 . . . . 76 PHE HB2 . 15763 1 331 . 1 1 76 76 PHE HB3 H 1 2.00 0.02 . 2 . . . . 76 PHE HB3 . 15763 1 332 . 1 1 76 76 PHE HD1 H 1 7.37 0.02 . 1 . . . . 76 PHE HD1 . 15763 1 333 . 1 1 76 76 PHE HE1 H 1 7.39 0.02 . 1 . . . . 76 PHE HE1 . 15763 1 334 . 1 1 76 76 PHE C C 13 174.6 0.3 . 1 . . . . 76 PHE C . 15763 1 335 . 1 1 76 76 PHE CA C 13 59.6 0.3 . 1 . . . . 76 PHE CA . 15763 1 336 . 1 1 76 76 PHE CB C 13 35.8 0.3 . 1 . . . . 76 PHE CB . 15763 1 337 . 1 1 76 76 PHE N N 15 118.8 0.3 . 1 . . . . 76 PHE N . 15763 1 338 . 1 1 77 77 SER H H 1 8.55 0.02 . 1 . . . . 77 SER H . 15763 1 339 . 1 1 77 77 SER HA H 1 4.13 0.02 . 1 . . . . 77 SER HA . 15763 1 340 . 1 1 77 77 SER HB2 H 1 3.91 0.02 . 1 . . . . 77 SER HB2 . 15763 1 341 . 1 1 77 77 SER C C 13 172.2 0.3 . 1 . . . . 77 SER C . 15763 1 342 . 1 1 77 77 SER CA C 13 60.1 0.3 . 1 . . . . 77 SER CA . 15763 1 343 . 1 1 77 77 SER CB C 13 59.8 0.3 . 1 . . . . 77 SER CB . 15763 1 344 . 1 1 77 77 SER N N 15 113.2 0.3 . 1 . . . . 77 SER N . 15763 1 345 . 1 1 78 78 CYS H H 1 7.43 0.02 . 1 . . . . 78 CYS H . 15763 1 346 . 1 1 78 78 CYS HA H 1 4.08 0.02 . 1 . . . . 78 CYS HA . 15763 1 347 . 1 1 78 78 CYS HB2 H 1 3.11 0.02 . 2 . . . . 78 CYS HB2 . 15763 1 348 . 1 1 78 78 CYS HB3 H 1 3.09 0.02 . 2 . . . . 78 CYS HB3 . 15763 1 349 . 1 1 78 78 CYS C C 13 174.0 0.3 . 1 . . . . 78 CYS C . 15763 1 350 . 1 1 78 78 CYS CA C 13 57.9 0.3 . 1 . . . . 78 CYS CA . 15763 1 351 . 1 1 78 78 CYS CB C 13 36.4 0.3 . 1 . . . . 78 CYS CB . 15763 1 352 . 1 1 78 78 CYS N N 15 118.9 0.3 . 1 . . . . 78 CYS N . 15763 1 353 . 1 1 79 79 PHE H H 1 8.27 0.02 . 1 . . . . 79 PHE H . 15763 1 354 . 1 1 79 79 PHE HA H 1 3.74 0.02 . 1 . . . . 79 PHE HA . 15763 1 355 . 1 1 79 79 PHE HB2 H 1 3.07 0.02 . 2 . . . . 79 PHE HB2 . 15763 1 356 . 1 1 79 79 PHE HB3 H 1 3.02 0.02 . 2 . . . . 79 PHE HB3 . 15763 1 357 . 1 1 79 79 PHE HD1 H 1 6.91 0.02 . 1 . . . . 79 PHE HD1 . 15763 1 358 . 1 1 79 79 PHE HE1 H 1 7.16 0.02 . 1 . . . . 79 PHE HE1 . 15763 1 359 . 1 1 79 79 PHE C C 13 173.6 0.3 . 1 . . . . 79 PHE C . 15763 1 360 . 1 1 79 79 PHE CA C 13 59.2 0.3 . 1 . . . . 79 PHE CA . 15763 1 361 . 1 1 79 79 PHE CB C 13 37.0 0.3 . 1 . . . . 79 PHE CB . 15763 1 362 . 1 1 79 79 PHE N N 15 120.4 0.3 . 1 . . . . 79 PHE N . 15763 1 363 . 1 1 80 80 HIS H H 1 8.84 0.02 . 1 . . . . 80 HIS H . 15763 1 364 . 1 1 80 80 HIS HA H 1 3.46 0.02 . 1 . . . . 80 HIS HA . 15763 1 365 . 1 1 80 80 HIS HB2 H 1 2.24 0.02 . 2 . . . . 80 HIS HB2 . 15763 1 366 . 1 1 80 80 HIS HB3 H 1 2.17 0.02 . 2 . . . . 80 HIS HB3 . 15763 1 367 . 1 1 80 80 HIS HD2 H 1 7.30 0.02 . 1 . . . . 80 HIS HD2 . 15763 1 368 . 1 1 80 80 HIS C C 13 175.7 0.3 . 1 . . . . 80 HIS C . 15763 1 369 . 1 1 80 80 HIS CA C 13 57.0 0.3 . 1 . . . . 80 HIS CA . 15763 1 370 . 1 1 80 80 HIS CB C 13 28.3 0.3 . 1 . . . . 80 HIS CB . 15763 1 371 . 1 1 80 80 HIS N N 15 118.4 0.3 . 1 . . . . 80 HIS N . 15763 1 372 . 1 1 81 81 TYR H H 1 7.71 0.02 . 1 . . . . 81 TYR H . 15763 1 373 . 1 1 81 81 TYR HA H 1 4.08 0.02 . 1 . . . . 81 TYR HA . 15763 1 374 . 1 1 81 81 TYR HB2 H 1 3.18 0.02 . 2 . . . . 81 TYR HB2 . 15763 1 375 . 1 1 81 81 TYR HB3 H 1 2.61 0.02 . 2 . . . . 81 TYR HB3 . 15763 1 376 . 1 1 81 81 TYR HD1 H 1 7.26 0.02 . 1 . . . . 81 TYR HD1 . 15763 1 377 . 1 1 81 81 TYR HE1 H 1 6.82 0.02 . 1 . . . . 81 TYR HE1 . 15763 1 378 . 1 1 81 81 TYR C C 13 172.4 0.3 . 1 . . . . 81 TYR C . 15763 1 379 . 1 1 81 81 TYR CA C 13 56.1 0.3 . 1 . . . . 81 TYR CA . 15763 1 380 . 1 1 81 81 TYR CB C 13 34.8 0.3 . 1 . . . . 81 TYR CB . 15763 1 381 . 1 1 81 81 TYR N N 15 113.4 0.3 . 1 . . . . 81 TYR N . 15763 1 382 . 1 1 82 82 SER H H 1 7.07 0.02 . 1 . . . . 82 SER H . 15763 1 383 . 1 1 82 82 SER HA H 1 4.41 0.02 . 1 . . . . 82 SER HA . 15763 1 384 . 1 1 82 82 SER HB2 H 1 3.65 0.02 . 2 . . . . 82 SER HB2 . 15763 1 385 . 1 1 82 82 SER HB3 H 1 4.27 0.02 . 2 . . . . 82 SER HB3 . 15763 1 386 . 1 1 82 82 SER C C 13 174.5 0.3 . 1 . . . . 82 SER C . 15763 1 387 . 1 1 82 82 SER CA C 13 56.3 0.3 . 1 . . . . 82 SER CA . 15763 1 388 . 1 1 82 82 SER CB C 13 59.2 0.3 . 1 . . . . 82 SER CB . 15763 1 389 . 1 1 82 82 SER N N 15 115.6 0.3 . 1 . . . . 82 SER N . 15763 1 390 . 1 1 83 83 THR H H 1 9.29 0.02 . 1 . . . . 83 THR H . 15763 1 391 . 1 1 83 83 THR HA H 1 4.40 0.02 . 1 . . . . 83 THR HA . 15763 1 392 . 1 1 83 83 THR HB H 1 4.46 0.02 . 1 . . . . 83 THR HB . 15763 1 393 . 1 1 83 83 THR HG21 H 1 1.08 0.02 . 1 . . . . 83 THR HG2 . 15763 1 394 . 1 1 83 83 THR HG22 H 1 1.08 0.02 . 1 . . . . 83 THR HG2 . 15763 1 395 . 1 1 83 83 THR HG23 H 1 1.08 0.02 . 1 . . . . 83 THR HG2 . 15763 1 396 . 1 1 83 83 THR C C 13 172.2 0.3 . 1 . . . . 83 THR C . 15763 1 397 . 1 1 83 83 THR CA C 13 57.5 0.3 . 1 . . . . 83 THR CA . 15763 1 398 . 1 1 83 83 THR CB C 13 65.8 0.3 . 1 . . . . 83 THR CB . 15763 1 399 . 1 1 83 83 THR CG2 C 13 18.4 0.3 . 1 . . . . 83 THR CG2 . 15763 1 400 . 1 1 83 83 THR N N 15 120.4 0.3 . 1 . . . . 83 THR N . 15763 1 401 . 1 1 84 84 GLU H H 1 7.17 0.02 . 1 . . . . 84 GLU H . 15763 1 402 . 1 1 84 84 GLU HA H 1 3.86 0.02 . 1 . . . . 84 GLU HA . 15763 1 403 . 1 1 84 84 GLU HB2 H 1 1.52 0.02 . 2 . . . . 84 GLU HB2 . 15763 1 404 . 1 1 84 84 GLU HB3 H 1 2.05 0.02 . 2 . . . . 84 GLU HB3 . 15763 1 405 . 1 1 84 84 GLU HG2 H 1 2.19 0.02 . 1 . . . . 84 GLU HG2 . 15763 1 406 . 1 1 84 84 GLU C C 13 173.3 0.3 . 1 . . . . 84 GLU C . 15763 1 407 . 1 1 84 84 GLU CA C 13 53.1 0.3 . 1 . . . . 84 GLU CA . 15763 1 408 . 1 1 84 84 GLU CB C 13 28.4 0.3 . 1 . . . . 84 GLU CB . 15763 1 409 . 1 1 84 84 GLU CG C 13 33.5 0.3 . 1 . . . . 84 GLU CG . 15763 1 410 . 1 1 84 84 GLU N N 15 121.6 0.3 . 1 . . . . 84 GLU N . 15763 1 411 . 1 1 85 85 GLU H H 1 8.39 0.02 . 1 . . . . 85 GLU H . 15763 1 412 . 1 1 85 85 GLU HA H 1 3.73 0.02 . 1 . . . . 85 GLU HA . 15763 1 413 . 1 1 85 85 GLU HB2 H 1 1.84 0.02 . 2 . . . . 85 GLU HB2 . 15763 1 414 . 1 1 85 85 GLU HB3 H 1 1.93 0.02 . 2 . . . . 85 GLU HB3 . 15763 1 415 . 1 1 85 85 GLU HG2 H 1 2.20 0.02 . 2 . . . . 85 GLU HG2 . 15763 1 416 . 1 1 85 85 GLU HG3 H 1 2.11 0.02 . 2 . . . . 85 GLU HG3 . 15763 1 417 . 1 1 85 85 GLU C C 13 175.5 0.3 . 1 . . . . 85 GLU C . 15763 1 418 . 1 1 85 85 GLU CA C 13 56.7 0.3 . 1 . . . . 85 GLU CA . 15763 1 419 . 1 1 85 85 GLU CB C 13 26.9 0.3 . 1 . . . . 85 GLU CB . 15763 1 420 . 1 1 85 85 GLU CG C 13 33.4 0.3 . 1 . . . . 85 GLU CG . 15763 1 421 . 1 1 85 85 GLU N N 15 121.8 0.3 . 1 . . . . 85 GLU N . 15763 1 422 . 1 1 86 86 ILE H H 1 8.06 0.02 . 1 . . . . 86 ILE H . 15763 1 423 . 1 1 86 86 ILE HA H 1 4.06 0.02 . 1 . . . . 86 ILE HA . 15763 1 424 . 1 1 86 86 ILE HB H 1 1.74 0.02 . 1 . . . . 86 ILE HB . 15763 1 425 . 1 1 86 86 ILE HD11 H 1 0.73 0.02 . 1 . . . . 86 ILE HD1 . 15763 1 426 . 1 1 86 86 ILE HD12 H 1 0.73 0.02 . 1 . . . . 86 ILE HD1 . 15763 1 427 . 1 1 86 86 ILE HD13 H 1 0.73 0.02 . 1 . . . . 86 ILE HD1 . 15763 1 428 . 1 1 86 86 ILE HG12 H 1 1.38 0.02 . 2 . . . . 86 ILE HG12 . 15763 1 429 . 1 1 86 86 ILE HG13 H 1 1.05 0.02 . 2 . . . . 86 ILE HG13 . 15763 1 430 . 1 1 86 86 ILE HG21 H 1 0.73 0.02 . 1 . . . . 86 ILE HG2 . 15763 1 431 . 1 1 86 86 ILE HG22 H 1 0.73 0.02 . 1 . . . . 86 ILE HG2 . 15763 1 432 . 1 1 86 86 ILE HG23 H 1 0.73 0.02 . 1 . . . . 86 ILE HG2 . 15763 1 433 . 1 1 86 86 ILE C C 13 172.4 0.3 . 1 . . . . 86 ILE C . 15763 1 434 . 1 1 86 86 ILE CA C 13 56.8 0.3 . 1 . . . . 86 ILE CA . 15763 1 435 . 1 1 86 86 ILE CB C 13 32.7 0.3 . 1 . . . . 86 ILE CB . 15763 1 436 . 1 1 86 86 ILE CD1 C 13 9.4 0.3 . 1 . . . . 86 ILE CD1 . 15763 1 437 . 1 1 86 86 ILE CG1 C 13 24.2 0.3 . 1 . . . . 86 ILE CG1 . 15763 1 438 . 1 1 86 86 ILE CG2 C 13 14.6 0.3 . 1 . . . . 86 ILE CG2 . 15763 1 439 . 1 1 86 86 ILE N N 15 117.8 0.3 . 1 . . . . 86 ILE N . 15763 1 440 . 1 1 87 87 LYS H H 1 8.20 0.02 . 1 . . . . 87 LYS H . 15763 1 441 . 1 1 87 87 LYS HA H 1 3.47 0.02 . 1 . . . . 87 LYS HA . 15763 1 442 . 1 1 87 87 LYS HB2 H 1 1.55 0.02 . 2 . . . . 87 LYS HB2 . 15763 1 443 . 1 1 87 87 LYS HB3 H 1 1.59 0.02 . 2 . . . . 87 LYS HB3 . 15763 1 444 . 1 1 87 87 LYS HD2 H 1 1.33 0.02 . 2 . . . . 87 LYS HD2 . 15763 1 445 . 1 1 87 87 LYS HD3 H 1 1.19 0.02 . 2 . . . . 87 LYS HD3 . 15763 1 446 . 1 1 87 87 LYS HE2 H 1 2.09 0.02 . 2 . . . . 87 LYS HE2 . 15763 1 447 . 1 1 87 87 LYS HE3 H 1 2.53 0.02 . 2 . . . . 87 LYS HE3 . 15763 1 448 . 1 1 87 87 LYS HG2 H 1 0.46 0.02 . 2 . . . . 87 LYS HG2 . 15763 1 449 . 1 1 87 87 LYS HG3 H 1 1.03 0.02 . 2 . . . . 87 LYS HG3 . 15763 1 450 . 1 1 87 87 LYS C C 13 175.2 0.3 . 1 . . . . 87 LYS C . 15763 1 451 . 1 1 87 87 LYS CA C 13 56.8 0.3 . 1 . . . . 87 LYS CA . 15763 1 452 . 1 1 87 87 LYS CB C 13 30.3 0.3 . 1 . . . . 87 LYS CB . 15763 1 453 . 1 1 87 87 LYS CD C 13 26.8 0.3 . 1 . . . . 87 LYS CD . 15763 1 454 . 1 1 87 87 LYS CE C 13 39.5 0.3 . 1 . . . . 87 LYS CE . 15763 1 455 . 1 1 87 87 LYS CG C 13 22.3 0.3 . 1 . . . . 87 LYS CG . 15763 1 456 . 1 1 87 87 LYS N N 15 130.3 0.3 . 1 . . . . 87 LYS N . 15763 1 457 . 1 1 88 88 GLY H H 1 8.82 0.02 . 1 . . . . 88 GLY H . 15763 1 458 . 1 1 88 88 GLY HA2 H 1 4.44 0.02 . 2 . . . . 88 GLY HA2 . 15763 1 459 . 1 1 88 88 GLY HA3 H 1 3.56 0.02 . 2 . . . . 88 GLY HA3 . 15763 1 460 . 1 1 88 88 GLY C C 13 172.8 0.3 . 1 . . . . 88 GLY C . 15763 1 461 . 1 1 88 88 GLY CA C 13 42.8 0.3 . 1 . . . . 88 GLY CA . 15763 1 462 . 1 1 88 88 GLY N N 15 110.4 0.3 . 1 . . . . 88 GLY N . 15763 1 463 . 1 1 89 89 SER H H 1 8.57 0.02 . 1 . . . . 89 SER H . 15763 1 464 . 1 1 89 89 SER HA H 1 4.04 0.02 . 1 . . . . 89 SER HA . 15763 1 465 . 1 1 89 89 SER HB2 H 1 3.83 0.02 . 2 . . . . 89 SER HB2 . 15763 1 466 . 1 1 89 89 SER HB3 H 1 3.95 0.02 . 2 . . . . 89 SER HB3 . 15763 1 467 . 1 1 89 89 SER C C 13 171.3 0.3 . 1 . . . . 89 SER C . 15763 1 468 . 1 1 89 89 SER CA C 13 58.2 0.3 . 1 . . . . 89 SER CA . 15763 1 469 . 1 1 89 89 SER CB C 13 59.2 0.3 . 1 . . . . 89 SER CB . 15763 1 470 . 1 1 89 89 SER N N 15 118.0 0.3 . 1 . . . . 89 SER N . 15763 1 471 . 1 1 90 90 ASP H H 1 10.48 0.02 . 1 . . . . 90 ASP H . 15763 1 472 . 1 1 90 90 ASP HA H 1 4.58 0.02 . 1 . . . . 90 ASP HA . 15763 1 473 . 1 1 90 90 ASP HB2 H 1 2.49 0.02 . 2 . . . . 90 ASP HB2 . 15763 1 474 . 1 1 90 90 ASP HB3 H 1 2.87 0.02 . 2 . . . . 90 ASP HB3 . 15763 1 475 . 1 1 90 90 ASP C C 13 173.5 0.3 . 1 . . . . 90 ASP C . 15763 1 476 . 1 1 90 90 ASP CA C 13 50.5 0.3 . 1 . . . . 90 ASP CA . 15763 1 477 . 1 1 90 90 ASP CB C 13 34.9 0.3 . 1 . . . . 90 ASP CB . 15763 1 478 . 1 1 90 90 ASP N N 15 116.4 0.3 . 1 . . . . 90 ASP N . 15763 1 479 . 1 1 91 91 CYS H H 1 7.42 0.02 . 1 . . . . 91 CYS H . 15763 1 480 . 1 1 91 91 CYS HA H 1 5.18 0.02 . 1 . . . . 91 CYS HA . 15763 1 481 . 1 1 91 91 CYS HB2 H 1 2.42 0.02 . 2 . . . . 91 CYS HB2 . 15763 1 482 . 1 1 91 91 CYS HB3 H 1 2.86 0.02 . 2 . . . . 91 CYS HB3 . 15763 1 483 . 1 1 91 91 CYS C C 13 172.8 0.3 . 1 . . . . 91 CYS C . 15763 1 484 . 1 1 91 91 CYS CA C 13 50.6 0.3 . 1 . . . . 91 CYS CA . 15763 1 485 . 1 1 91 91 CYS CB C 13 38.0 0.3 . 1 . . . . 91 CYS CB . 15763 1 486 . 1 1 91 91 CYS N N 15 117.3 0.3 . 1 . . . . 91 CYS N . 15763 1 487 . 1 1 92 92 VAL H H 1 7.32 0.02 . 1 . . . . 92 VAL H . 15763 1 488 . 1 1 92 92 VAL HA H 1 3.47 0.02 . 1 . . . . 92 VAL HA . 15763 1 489 . 1 1 92 92 VAL HB H 1 1.99 0.02 . 1 . . . . 92 VAL HB . 15763 1 490 . 1 1 92 92 VAL HG11 H 1 1.00 0.02 . 1 . . . . 92 VAL HG1 . 15763 1 491 . 1 1 92 92 VAL HG12 H 1 1.00 0.02 . 1 . . . . 92 VAL HG1 . 15763 1 492 . 1 1 92 92 VAL HG13 H 1 1.00 0.02 . 1 . . . . 92 VAL HG1 . 15763 1 493 . 1 1 92 92 VAL HG21 H 1 0.90 0.02 . 1 . . . . 92 VAL HG2 . 15763 1 494 . 1 1 92 92 VAL HG22 H 1 0.90 0.02 . 1 . . . . 92 VAL HG2 . 15763 1 495 . 1 1 92 92 VAL HG23 H 1 0.90 0.02 . 1 . . . . 92 VAL HG2 . 15763 1 496 . 1 1 92 92 VAL C C 13 175.7 0.3 . 1 . . . . 92 VAL C . 15763 1 497 . 1 1 92 92 VAL CA C 13 64.0 0.3 . 1 . . . . 92 VAL CA . 15763 1 498 . 1 1 92 92 VAL CB C 13 29.3 0.3 . 1 . . . . 92 VAL CB . 15763 1 499 . 1 1 92 92 VAL CG1 C 13 19.4 0.3 . 1 . . . . 92 VAL CG1 . 15763 1 500 . 1 1 92 92 VAL CG2 C 13 18.2 0.3 . 1 . . . . 92 VAL CG2 . 15763 1 501 . 1 1 92 92 VAL N N 15 120.5 0.3 . 1 . . . . 92 VAL N . 15763 1 502 . 1 1 93 93 ASP H H 1 8.87 0.02 . 1 . . . . 93 ASP H . 15763 1 503 . 1 1 93 93 ASP HA H 1 4.28 0.02 . 1 . . . . 93 ASP HA . 15763 1 504 . 1 1 93 93 ASP HB2 H 1 2.46 0.02 . 1 . . . . 93 ASP HB2 . 15763 1 505 . 1 1 93 93 ASP C C 13 176.5 0.3 . 1 . . . . 93 ASP C . 15763 1 506 . 1 1 93 93 ASP CA C 13 55.1 0.3 . 1 . . . . 93 ASP CA . 15763 1 507 . 1 1 93 93 ASP CB C 13 36.8 0.3 . 1 . . . . 93 ASP CB . 15763 1 508 . 1 1 93 93 ASP N N 15 120.5 0.3 . 1 . . . . 93 ASP N . 15763 1 509 . 1 1 94 94 GLN H H 1 9.14 0.02 . 1 . . . . 94 GLN H . 15763 1 510 . 1 1 94 94 GLN HA H 1 3.92 0.02 . 1 . . . . 94 GLN HA . 15763 1 511 . 1 1 94 94 GLN HB2 H 1 2.02 0.02 . 2 . . . . 94 GLN HB2 . 15763 1 512 . 1 1 94 94 GLN HB3 H 1 1.58 0.02 . 2 . . . . 94 GLN HB3 . 15763 1 513 . 1 1 94 94 GLN HE21 H 1 7.39 0.02 . 1 . . . . 94 GLN HE21 . 15763 1 514 . 1 1 94 94 GLN HE22 H 1 6.99 0.02 . 1 . . . . 94 GLN HE22 . 15763 1 515 . 1 1 94 94 GLN HG2 H 1 2.43 0.02 . 2 . . . . 94 GLN HG2 . 15763 1 516 . 1 1 94 94 GLN HG3 H 1 2.35 0.02 . 2 . . . . 94 GLN HG3 . 15763 1 517 . 1 1 94 94 GLN C C 13 178.1 0.3 . 1 . . . . 94 GLN C . 15763 1 518 . 1 1 94 94 GLN CA C 13 57.1 0.3 . 1 . . . . 94 GLN CA . 15763 1 519 . 1 1 94 94 GLN CB C 13 24.5 0.3 . 1 . . . . 94 GLN CB . 15763 1 520 . 1 1 94 94 GLN CG C 13 31.8 0.3 . 1 . . . . 94 GLN CG . 15763 1 521 . 1 1 94 94 GLN N N 15 121.8 0.3 . 1 . . . . 94 GLN N . 15763 1 522 . 1 1 94 94 GLN NE2 N 15 110.9 0.3 . 1 . . . . 94 GLN NE2 . 15763 1 523 . 1 1 95 95 PHE H H 1 8.92 0.02 . 1 . . . . 95 PHE H . 15763 1 524 . 1 1 95 95 PHE HA H 1 4.13 0.02 . 1 . . . . 95 PHE HA . 15763 1 525 . 1 1 95 95 PHE HB2 H 1 3.09 0.02 . 2 . . . . 95 PHE HB2 . 15763 1 526 . 1 1 95 95 PHE HB3 H 1 3.17 0.02 . 2 . . . . 95 PHE HB3 . 15763 1 527 . 1 1 95 95 PHE HD1 H 1 7.09 0.02 . 1 . . . . 95 PHE HD1 . 15763 1 528 . 1 1 95 95 PHE HE1 H 1 7.18 0.02 . 1 . . . . 95 PHE HE1 . 15763 1 529 . 1 1 95 95 PHE C C 13 175.1 0.3 . 1 . . . . 95 PHE C . 15763 1 530 . 1 1 95 95 PHE CA C 13 57.5 0.3 . 1 . . . . 95 PHE CA . 15763 1 531 . 1 1 95 95 PHE CB C 13 34.5 0.3 . 1 . . . . 95 PHE CB . 15763 1 532 . 1 1 95 95 PHE N N 15 122.5 0.3 . 1 . . . . 95 PHE N . 15763 1 533 . 1 1 96 96 ARG H H 1 8.50 0.02 . 1 . . . . 96 ARG H . 15763 1 534 . 1 1 96 96 ARG HA H 1 4.04 0.02 . 1 . . . . 96 ARG HA . 15763 1 535 . 1 1 96 96 ARG HB2 H 1 1.91 0.02 . 1 . . . . 96 ARG HB2 . 15763 1 536 . 1 1 96 96 ARG HD2 H 1 3.11 0.02 . 2 . . . . 96 ARG HD2 . 15763 1 537 . 1 1 96 96 ARG HD3 H 1 3.14 0.02 . 2 . . . . 96 ARG HD3 . 15763 1 538 . 1 1 96 96 ARG HG2 H 1 1.51 0.02 . 2 . . . . 96 ARG HG2 . 15763 1 539 . 1 1 96 96 ARG HG3 H 1 1.69 0.02 . 2 . . . . 96 ARG HG3 . 15763 1 540 . 1 1 96 96 ARG C C 13 175.7 0.3 . 1 . . . . 96 ARG C . 15763 1 541 . 1 1 96 96 ARG CA C 13 56.8 0.3 . 1 . . . . 96 ARG CA . 15763 1 542 . 1 1 96 96 ARG CB C 13 26.8 0.3 . 1 . . . . 96 ARG CB . 15763 1 543 . 1 1 96 96 ARG CD C 13 40.5 0.3 . 1 . . . . 96 ARG CD . 15763 1 544 . 1 1 96 96 ARG CG C 13 24.5 0.3 . 1 . . . . 96 ARG CG . 15763 1 545 . 1 1 96 96 ARG N N 15 121.6 0.3 . 1 . . . . 96 ARG N . 15763 1 546 . 1 1 97 97 ALA H H 1 7.96 0.02 . 1 . . . . 97 ALA H . 15763 1 547 . 1 1 97 97 ALA HA H 1 4.11 0.02 . 1 . . . . 97 ALA HA . 15763 1 548 . 1 1 97 97 ALA HB1 H 1 1.41 0.02 . 1 . . . . 97 ALA HB . 15763 1 549 . 1 1 97 97 ALA HB2 H 1 1.41 0.02 . 1 . . . . 97 ALA HB . 15763 1 550 . 1 1 97 97 ALA HB3 H 1 1.41 0.02 . 1 . . . . 97 ALA HB . 15763 1 551 . 1 1 97 97 ALA C C 13 178.6 0.3 . 1 . . . . 97 ALA C . 15763 1 552 . 1 1 97 97 ALA CA C 13 52.1 0.3 . 1 . . . . 97 ALA CA . 15763 1 553 . 1 1 97 97 ALA CB C 13 15.2 0.3 . 1 . . . . 97 ALA CB . 15763 1 554 . 1 1 97 97 ALA N N 15 120.3 0.3 . 1 . . . . 97 ALA N . 15763 1 555 . 1 1 98 98 MET H H 1 7.60 0.02 . 1 . . . . 98 MET H . 15763 1 556 . 1 1 98 98 MET HA H 1 3.83 0.02 . 1 . . . . 98 MET HA . 15763 1 557 . 1 1 98 98 MET HB2 H 1 1.64 0.02 . 1 . . . . 98 MET HB2 . 15763 1 558 . 1 1 98 98 MET HG2 H 1 2.31 0.02 . 1 . . . . 98 MET HG2 . 15763 1 559 . 1 1 98 98 MET C C 13 173.9 0.3 . 1 . . . . 98 MET C . 15763 1 560 . 1 1 98 98 MET CA C 13 56.4 0.3 . 1 . . . . 98 MET CA . 15763 1 561 . 1 1 98 98 MET CB C 13 30.1 0.3 . 1 . . . . 98 MET CB . 15763 1 562 . 1 1 98 98 MET CG C 13 29.9 0.3 . 1 . . . . 98 MET CG . 15763 1 563 . 1 1 98 98 MET N N 15 118.4 0.3 . 1 . . . . 98 MET N . 15763 1 564 . 1 1 99 99 GLN H H 1 8.41 0.02 . 1 . . . . 99 GLN H . 15763 1 565 . 1 1 99 99 GLN HA H 1 3.80 0.02 . 1 . . . . 99 GLN HA . 15763 1 566 . 1 1 99 99 GLN HB2 H 1 2.01 0.02 . 2 . . . . 99 GLN HB2 . 15763 1 567 . 1 1 99 99 GLN HB3 H 1 2.07 0.02 . 2 . . . . 99 GLN HB3 . 15763 1 568 . 1 1 99 99 GLN HG2 H 1 2.19 0.02 . 1 . . . . 99 GLN HG2 . 15763 1 569 . 1 1 99 99 GLN C C 13 173.4 0.3 . 1 . . . . 99 GLN C . 15763 1 570 . 1 1 99 99 GLN CA C 13 56.8 0.3 . 1 . . . . 99 GLN CA . 15763 1 571 . 1 1 99 99 GLN CB C 13 25.9 0.3 . 1 . . . . 99 GLN CB . 15763 1 572 . 1 1 99 99 GLN CG C 13 31.1 0.3 . 1 . . . . 99 GLN CG . 15763 1 573 . 1 1 99 99 GLN N N 15 120.8 0.3 . 1 . . . . 99 GLN N . 15763 1 574 . 1 1 100 100 GLU H H 1 8.51 0.02 . 1 . . . . 100 GLU H . 15763 1 575 . 1 1 100 100 GLU HA H 1 3.82 0.02 . 1 . . . . 100 GLU HA . 15763 1 576 . 1 1 100 100 GLU HB2 H 1 1.86 0.02 . 2 . . . . 100 GLU HB2 . 15763 1 577 . 1 1 100 100 GLU HB3 H 1 1.95 0.02 . 2 . . . . 100 GLU HB3 . 15763 1 578 . 1 1 100 100 GLU HG2 H 1 2.36 0.02 . 2 . . . . 100 GLU HG2 . 15763 1 579 . 1 1 100 100 GLU HG3 H 1 2.09 0.02 . 2 . . . . 100 GLU HG3 . 15763 1 580 . 1 1 100 100 GLU C C 13 175.9 0.3 . 1 . . . . 100 GLU C . 15763 1 581 . 1 1 100 100 GLU CA C 13 56.5 0.3 . 1 . . . . 100 GLU CA . 15763 1 582 . 1 1 100 100 GLU CB C 13 26.9 0.3 . 1 . . . . 100 GLU CB . 15763 1 583 . 1 1 100 100 GLU CG C 13 34.0 0.3 . 1 . . . . 100 GLU CG . 15763 1 584 . 1 1 100 100 GLU N N 15 117.6 0.3 . 1 . . . . 100 GLU N . 15763 1 585 . 1 1 101 101 CYS H H 1 7.31 0.02 . 1 . . . . 101 CYS H . 15763 1 586 . 1 1 101 101 CYS HA H 1 4.23 0.02 . 1 . . . . 101 CYS HA . 15763 1 587 . 1 1 101 101 CYS HB2 H 1 3.02 0.02 . 2 . . . . 101 CYS HB2 . 15763 1 588 . 1 1 101 101 CYS HB3 H 1 3.10 0.02 . 2 . . . . 101 CYS HB3 . 15763 1 589 . 1 1 101 101 CYS C C 13 173.8 0.3 . 1 . . . . 101 CYS C . 15763 1 590 . 1 1 101 101 CYS CA C 13 57.8 0.3 . 1 . . . . 101 CYS CA . 15763 1 591 . 1 1 101 101 CYS CB C 13 36.5 0.3 . 1 . . . . 101 CYS CB . 15763 1 592 . 1 1 101 101 CYS N N 15 117.8 0.3 . 1 . . . . 101 CYS N . 15763 1 593 . 1 1 102 102 MET H H 1 8.40 0.02 . 1 . . . . 102 MET H . 15763 1 594 . 1 1 102 102 MET HA H 1 3.82 0.02 . 1 . . . . 102 MET HA . 15763 1 595 . 1 1 102 102 MET HB2 H 1 1.80 0.02 . 2 . . . . 102 MET HB2 . 15763 1 596 . 1 1 102 102 MET HB3 H 1 1.84 0.02 . 2 . . . . 102 MET HB3 . 15763 1 597 . 1 1 102 102 MET HG2 H 1 2.39 0.02 . 2 . . . . 102 MET HG2 . 15763 1 598 . 1 1 102 102 MET HG3 H 1 1.08 0.02 . 2 . . . . 102 MET HG3 . 15763 1 599 . 1 1 102 102 MET C C 13 177.1 0.3 . 1 . . . . 102 MET C . 15763 1 600 . 1 1 102 102 MET CA C 13 57.1 0.3 . 1 . . . . 102 MET CA . 15763 1 601 . 1 1 102 102 MET CB C 13 30.2 0.3 . 1 . . . . 102 MET CB . 15763 1 602 . 1 1 102 102 MET CG C 13 29.6 0.3 . 1 . . . . 102 MET CG . 15763 1 603 . 1 1 102 102 MET N N 15 119.1 0.3 . 1 . . . . 102 MET N . 15763 1 604 . 1 1 103 103 GLN H H 1 7.85 0.02 . 1 . . . . 103 GLN H . 15763 1 605 . 1 1 103 103 GLN HA H 1 3.96 0.02 . 1 . . . . 103 GLN HA . 15763 1 606 . 1 1 103 103 GLN HB2 H 1 2.01 0.02 . 2 . . . . 103 GLN HB2 . 15763 1 607 . 1 1 103 103 GLN HB3 H 1 2.06 0.02 . 2 . . . . 103 GLN HB3 . 15763 1 608 . 1 1 103 103 GLN HE21 H 1 7.39 0.02 . 1 . . . . 103 GLN HE21 . 15763 1 609 . 1 1 103 103 GLN HE22 H 1 6.74 0.02 . 1 . . . . 103 GLN HE22 . 15763 1 610 . 1 1 103 103 GLN HG2 H 1 2.49 0.02 . 2 . . . . 103 GLN HG2 . 15763 1 611 . 1 1 103 103 GLN HG3 H 1 2.39 0.02 . 2 . . . . 103 GLN HG3 . 15763 1 612 . 1 1 103 103 GLN C C 13 174.0 0.3 . 1 . . . . 103 GLN C . 15763 1 613 . 1 1 103 103 GLN CA C 13 55.0 0.3 . 1 . . . . 103 GLN CA . 15763 1 614 . 1 1 103 103 GLN CB C 13 25.9 0.3 . 1 . . . . 103 GLN CB . 15763 1 615 . 1 1 103 103 GLN CG C 13 31.6 0.3 . 1 . . . . 103 GLN CG . 15763 1 616 . 1 1 103 103 GLN N N 15 117.2 0.3 . 1 . . . . 103 GLN N . 15763 1 617 . 1 1 103 103 GLN NE2 N 15 110.8 0.3 . 1 . . . . 103 GLN NE2 . 15763 1 618 . 1 1 104 104 LYS H H 1 7.47 0.02 . 1 . . . . 104 LYS H . 15763 1 619 . 1 1 104 104 LYS HA H 1 3.88 0.02 . 1 . . . . 104 LYS HA . 15763 1 620 . 1 1 104 104 LYS HB2 H 1 1.73 0.02 . 2 . . . . 104 LYS HB2 . 15763 1 621 . 1 1 104 104 LYS HB3 H 1 1.33 0.02 . 2 . . . . 104 LYS HB3 . 15763 1 622 . 1 1 104 104 LYS HD2 H 1 1.50 0.02 . 1 . . . . 104 LYS HD2 . 15763 1 623 . 1 1 104 104 LYS HE2 H 1 2.85 0.02 . 1 . . . . 104 LYS HE2 . 15763 1 624 . 1 1 104 104 LYS HG2 H 1 1.13 0.02 . 2 . . . . 104 LYS HG2 . 15763 1 625 . 1 1 104 104 LYS HG3 H 1 1.49 0.02 . 2 . . . . 104 LYS HG3 . 15763 1 626 . 1 1 104 104 LYS C C 13 173.2 0.3 . 1 . . . . 104 LYS C . 15763 1 627 . 1 1 104 104 LYS CA C 13 54.6 0.3 . 1 . . . . 104 LYS CA . 15763 1 628 . 1 1 104 104 LYS CB C 13 29.6 0.3 . 1 . . . . 104 LYS CB . 15763 1 629 . 1 1 104 104 LYS CD C 13 26.3 0.3 . 1 . . . . 104 LYS CD . 15763 1 630 . 1 1 104 104 LYS CE C 13 39.3 0.3 . 1 . . . . 104 LYS CE . 15763 1 631 . 1 1 104 104 LYS CG C 13 22.6 0.3 . 1 . . . . 104 LYS CG . 15763 1 632 . 1 1 104 104 LYS N N 15 116.7 0.3 . 1 . . . . 104 LYS N . 15763 1 633 . 1 1 105 105 TYR H H 1 7.39 0.02 . 1 . . . . 105 TYR H . 15763 1 634 . 1 1 105 105 TYR HA H 1 5.04 0.02 . 1 . . . . 105 TYR HA . 15763 1 635 . 1 1 105 105 TYR HB2 H 1 3.00 0.02 . 2 . . . . 105 TYR HB2 . 15763 1 636 . 1 1 105 105 TYR HB3 H 1 3.03 0.02 . 2 . . . . 105 TYR HB3 . 15763 1 637 . 1 1 105 105 TYR HD1 H 1 7.29 0.02 . 1 . . . . 105 TYR HD1 . 15763 1 638 . 1 1 105 105 TYR HE1 H 1 6.78 0.02 . 1 . . . . 105 TYR HE1 . 15763 1 639 . 1 1 105 105 TYR C C 13 170.8 0.3 . 1 . . . . 105 TYR C . 15763 1 640 . 1 1 105 105 TYR CA C 13 52.3 0.3 . 1 . . . . 105 TYR CA . 15763 1 641 . 1 1 105 105 TYR CB C 13 36.7 0.3 . 1 . . . . 105 TYR CB . 15763 1 642 . 1 1 105 105 TYR N N 15 115.7 0.3 . 1 . . . . 105 TYR N . 15763 1 643 . 1 1 106 106 PRO HA H 1 4.47 0.02 . 1 . . . . 106 PRO HA . 15763 1 644 . 1 1 106 106 PRO HB2 H 1 2.19 0.02 . 2 . . . . 106 PRO HB2 . 15763 1 645 . 1 1 106 106 PRO HB3 H 1 1.93 0.02 . 2 . . . . 106 PRO HB3 . 15763 1 646 . 1 1 106 106 PRO HD2 H 1 3.57 0.02 . 2 . . . . 106 PRO HD2 . 15763 1 647 . 1 1 106 106 PRO HD3 H 1 3.28 0.02 . 2 . . . . 106 PRO HD3 . 15763 1 648 . 1 1 106 106 PRO HG2 H 1 1.92 0.02 . 2 . . . . 106 PRO HG2 . 15763 1 649 . 1 1 106 106 PRO HG3 H 1 1.85 0.02 . 2 . . . . 106 PRO HG3 . 15763 1 650 . 1 1 106 106 PRO CA C 13 61.8 0.3 . 1 . . . . 106 PRO CA . 15763 1 651 . 1 1 106 106 PRO CB C 13 29.0 0.3 . 1 . . . . 106 PRO CB . 15763 1 652 . 1 1 106 106 PRO CD C 13 47.6 0.3 . 1 . . . . 106 PRO CD . 15763 1 653 . 1 1 106 106 PRO CG C 13 24.7 0.3 . 1 . . . . 106 PRO CG . 15763 1 654 . 1 1 107 107 ASP H H 1 8.75 0.02 . 1 . . . . 107 ASP H . 15763 1 655 . 1 1 107 107 ASP HA H 1 4.31 0.02 . 1 . . . . 107 ASP HA . 15763 1 656 . 1 1 107 107 ASP HB2 H 1 2.44 0.02 . 2 . . . . 107 ASP HB2 . 15763 1 657 . 1 1 107 107 ASP HB3 H 1 2.56 0.02 . 2 . . . . 107 ASP HB3 . 15763 1 658 . 1 1 107 107 ASP C C 13 174.0 0.3 . 1 . . . . 107 ASP C . 15763 1 659 . 1 1 107 107 ASP CA C 13 52.2 0.3 . 1 . . . . 107 ASP CA . 15763 1 660 . 1 1 107 107 ASP CB C 13 36.8 0.3 . 1 . . . . 107 ASP CB . 15763 1 661 . 1 1 107 107 ASP N N 15 114.8 0.3 . 1 . . . . 107 ASP N . 15763 1 662 . 1 1 108 108 LEU H H 1 7.27 0.02 . 1 . . . . 108 LEU H . 15763 1 663 . 1 1 108 108 LEU HA H 1 4.03 0.02 . 1 . . . . 108 LEU HA . 15763 1 664 . 1 1 108 108 LEU HB2 H 1 1.15 0.02 . 2 . . . . 108 LEU HB2 . 15763 1 665 . 1 1 108 108 LEU HB3 H 1 0.61 0.02 . 2 . . . . 108 LEU HB3 . 15763 1 666 . 1 1 108 108 LEU HD11 H 1 0.49 0.02 . 1 . . . . 108 LEU HD1 . 15763 1 667 . 1 1 108 108 LEU HD12 H 1 0.49 0.02 . 1 . . . . 108 LEU HD1 . 15763 1 668 . 1 1 108 108 LEU HD13 H 1 0.49 0.02 . 1 . . . . 108 LEU HD1 . 15763 1 669 . 1 1 108 108 LEU HD21 H 1 0.54 0.02 . 1 . . . . 108 LEU HD2 . 15763 1 670 . 1 1 108 108 LEU HD22 H 1 0.54 0.02 . 1 . . . . 108 LEU HD2 . 15763 1 671 . 1 1 108 108 LEU HD23 H 1 0.54 0.02 . 1 . . . . 108 LEU HD2 . 15763 1 672 . 1 1 108 108 LEU HG H 1 1.23 0.02 . 1 . . . . 108 LEU HG . 15763 1 673 . 1 1 108 108 LEU C C 13 173.8 0.3 . 1 . . . . 108 LEU C . 15763 1 674 . 1 1 108 108 LEU CA C 13 52.5 0.3 . 1 . . . . 108 LEU CA . 15763 1 675 . 1 1 108 108 LEU CB C 13 40.0 0.3 . 1 . . . . 108 LEU CB . 15763 1 676 . 1 1 108 108 LEU CD1 C 13 20.1 0.3 . 1 . . . . 108 LEU CD1 . 15763 1 677 . 1 1 108 108 LEU CD2 C 13 22.6 0.3 . 1 . . . . 108 LEU CD2 . 15763 1 678 . 1 1 108 108 LEU CG C 13 23.9 0.3 . 1 . . . . 108 LEU CG . 15763 1 679 . 1 1 108 108 LEU N N 15 118.9 0.3 . 1 . . . . 108 LEU N . 15763 1 680 . 1 1 109 109 TYR H H 1 7.53 0.02 . 1 . . . . 109 TYR H . 15763 1 681 . 1 1 109 109 TYR HA H 1 5.00 0.02 . 1 . . . . 109 TYR HA . 15763 1 682 . 1 1 109 109 TYR HB2 H 1 2.98 0.02 . 2 . . . . 109 TYR HB2 . 15763 1 683 . 1 1 109 109 TYR HB3 H 1 2.72 0.02 . 2 . . . . 109 TYR HB3 . 15763 1 684 . 1 1 109 109 TYR HD1 H 1 7.29 0.02 . 1 . . . . 109 TYR HD1 . 15763 1 685 . 1 1 109 109 TYR HE1 H 1 6.54 0.02 . 1 . . . . 109 TYR HE1 . 15763 1 686 . 1 1 109 109 TYR C C 13 169.7 0.3 . 1 . . . . 109 TYR C . 15763 1 687 . 1 1 109 109 TYR CA C 13 51.1 0.3 . 1 . . . . 109 TYR CA . 15763 1 688 . 1 1 109 109 TYR CB C 13 35.8 0.3 . 1 . . . . 109 TYR CB . 15763 1 689 . 1 1 109 109 TYR N N 15 117.0 0.3 . 1 . . . . 109 TYR N . 15763 1 690 . 1 1 110 110 PRO HA H 1 4.43 0.02 . 1 . . . . 110 PRO HA . 15763 1 691 . 1 1 110 110 PRO HB2 H 1 2.19 0.02 . 2 . . . . 110 PRO HB2 . 15763 1 692 . 1 1 110 110 PRO HB3 H 1 1.82 0.02 . 2 . . . . 110 PRO HB3 . 15763 1 693 . 1 1 110 110 PRO HD2 H 1 3.51 0.02 . 2 . . . . 110 PRO HD2 . 15763 1 694 . 1 1 110 110 PRO HD3 H 1 3.35 0.02 . 2 . . . . 110 PRO HD3 . 15763 1 695 . 1 1 110 110 PRO HG2 H 1 1.91 0.02 . 1 . . . . 110 PRO HG2 . 15763 1 696 . 1 1 110 110 PRO CA C 13 60.4 0.3 . 1 . . . . 110 PRO CA . 15763 1 697 . 1 1 110 110 PRO CB C 13 29.5 0.3 . 1 . . . . 110 PRO CB . 15763 1 698 . 1 1 110 110 PRO CD C 13 47.6 0.3 . 1 . . . . 110 PRO CD . 15763 1 699 . 1 1 110 110 PRO CG C 13 24.8 0.3 . 1 . . . . 110 PRO CG . 15763 1 stop_ save_