data_17067 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17067 _Entry.Title ; Complex hMia40-hCox17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-20 _Entry.Accession_date 2010-07-20 _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 Ivano Bertini . . . 17067 2 Simone Ciofi-Baffoni . . . 17067 3 Angelo Gallo . . . 17067 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 . 'not applicable' 'not applicable' . 17067 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'CERM-Univeristy of Florence' . 17067 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Macromolecular complex' . 17067 'Mitochondrial Import' . 17067 'Oxidative Protein Folding' . 17067 'Solution NMR' . 17067 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17067 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 526 17067 '15N chemical shifts' 148 17067 '1H chemical shifts' 461 17067 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-12-01 2010-07-20 update BMRB 'update entry citation' 17067 1 . . 2010-11-15 2010-07-20 original author 'original release' 17067 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2k3j 'Solution structure of human Mia40' 17067 PDB 2L0Y 'BMRB Entry Tracking System' 17067 PDB 2rn9 'Solution structure of human apoCox17' 17067 stop_ save_ ############### # Citations # ############### save_research_article _Citation.Sf_category citations _Citation.Sf_framecode research_article _Citation.Entry_ID 17067 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21059946 _Citation.Full_citation . _Citation.Title 'Molecular chaperone function of Mia40 triggers consecutive induced folding steps of the substrate in mitochondrial protein import.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 47 _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 20190 _Citation.Page_last 20195 _Citation.Year 2010 _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 . . . 17067 1 2 Ivano Bertini . . . 17067 1 3 Chiara Cefaro . . . 17067 1 4 Lucia Cenacchi . . . 17067 1 5 Simone Ciofi-Baffoni . . . 17067 1 6 'Isabella Caterina' Felli . . . 17067 1 7 Angelo Gallo . . . 17067 1 8 Leonardo Gonnelli . . . 17067 1 9 Enrico Luchinat . . . 17067 1 10 Dionisia Sideris . . . 17067 1 11 Kostas Tokatlidis . . . 17067 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17067 _Assembly.ID 1 _Assembly.Name 'Complex hMia40-hCox17' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Mia40 1 $Mia40 A . yes native no no . . . 17067 1 2 Cox17 2 $Cox17 B . yes native no no . . . 17067 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 59 59 SG . 2 . 2 CYS 49 49 SG . . . . . . . . . . 17067 1 2 disulfide single . 1 . 1 CYS 68 68 SG . 1 . 1 CYS 101 101 SG . . . . . . . . . . 17067 1 3 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 91 91 SG . . . . . . . . . . 17067 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Mia40 _Entity.Sf_category entity _Entity.Sf_framecode Mia40 _Entity.Entry_ID 17067 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 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 YEEHGLILPNGNINWNSPCL GGMASGPCGEQFKSAFSCFH YSTEEIKGSDCVDQFRAMQE CMQKYPDLYPQEDEDEEEER EKKPAEQAEETAPIEATATK EEEGSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation C57S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6727.517 _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 15763 . Human_Mia40 . . . . . 100.00 146 99.32 99.32 3.07e-101 . . . . 17067 1 2 no PDB 2K3J . "The Solution Structure Of Human Mia40" . . . . . 100.00 146 99.32 99.32 3.07e-101 . . . . 17067 1 3 no PDB 2L0Y . "Complex Hmia40-Hcox17" . . . . . 100.00 146 100.00 100.00 2.44e-102 . . . . 17067 1 4 no DBJ BAB71132 . "unnamed protein product [Homo sapiens]" . . . . . 93.84 155 98.54 99.27 5.49e-93 . . . . 17067 1 5 no DBJ BAF83453 . "unnamed protein product [Homo sapiens]" . . . . . 97.26 142 99.30 99.30 3.98e-98 . . . . 17067 1 6 no GB AAH17082 . "CHCHD4 protein [Homo sapiens]" . . . . . 97.26 142 99.30 99.30 3.98e-98 . . . . 17067 1 7 no GB AAH33775 . "CHCHD4 protein [Homo sapiens]" . . . . . 97.26 142 99.30 99.30 3.98e-98 . . . . 17067 1 8 no GB AIC53061 . "CHCHD4, partial [synthetic construct]" . . . . . 97.26 142 99.30 99.30 3.98e-98 . . . . 17067 1 9 no GB EAW64180 . "coiled-coil-helix-coiled-coil-helix domain containing 4, isoform CRA_a [Homo sapiens]" . . . . . 97.26 142 99.30 99.30 3.98e-98 . . . . 17067 1 10 no GB EAW64181 . "coiled-coil-helix-coiled-coil-helix domain containing 4, isoform CRA_b [Homo sapiens]" . . . . . 93.84 155 98.54 99.27 5.49e-93 . . . . 17067 1 11 no REF NP_001091972 . "mitochondrial intermembrane space import and assembly protein 40 isoform 1 [Homo sapiens]" . . . . . 97.26 142 99.30 99.30 3.98e-98 . . . . 17067 1 12 no REF NP_001185638 . "coiled-coil-helix-coiled-coil-helix domain containing 4 [Macaca mulatta]" . . . . . 97.26 142 97.18 97.89 2.36e-96 . . . . 17067 1 13 no REF NP_653237 . "mitochondrial intermembrane space import and assembly protein 40 isoform 2 [Homo sapiens]" . . . . . 93.84 155 98.54 99.27 5.49e-93 . . . . 17067 1 14 no REF XP_001157417 . "PREDICTED: mitochondrial intermembrane space import and assembly protein 40 isoform X2 [Pan troglodytes]" . . . . . 97.26 142 98.59 98.59 2.41e-97 . . . . 17067 1 15 no REF XP_002813171 . "PREDICTED: mitochondrial intermembrane space import and assembly protein 40 isoform X2 [Pongo abelii]" . . . . . 97.26 142 98.59 98.59 2.41e-97 . . . . 17067 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 99.30 99.30 3.98e-98 . . . . 17067 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Mitochondrial Import and Assembly protein' 17067 1 'Oxidative Protein Folding' 17067 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 . 17067 1 2 . SER . 17067 1 3 . PHE . 17067 1 4 . THR . 17067 1 5 . MET . 17067 1 6 . SER . 17067 1 7 . TYR . 17067 1 8 . CYS . 17067 1 9 . ARG . 17067 1 10 . GLN . 17067 1 11 . GLU . 17067 1 12 . GLY . 17067 1 13 . LYS . 17067 1 14 . ASP . 17067 1 15 . ARG . 17067 1 16 . ILE . 17067 1 17 . ILE . 17067 1 18 . PHE . 17067 1 19 . VAL . 17067 1 20 . THR . 17067 1 21 . LYS . 17067 1 22 . GLU . 17067 1 23 . ASP . 17067 1 24 . HIS . 17067 1 25 . GLU . 17067 1 26 . THR . 17067 1 27 . PRO . 17067 1 28 . SER . 17067 1 29 . SER . 17067 1 30 . ALA . 17067 1 31 . GLU . 17067 1 32 . LEU . 17067 1 33 . VAL . 17067 1 34 . ALA . 17067 1 35 . ASP . 17067 1 36 . ASP . 17067 1 37 . PRO . 17067 1 38 . ASN . 17067 1 39 . ASP . 17067 1 40 . PRO . 17067 1 41 . TYR . 17067 1 42 . GLU . 17067 1 43 . GLU . 17067 1 44 . HIS . 17067 1 45 . GLY . 17067 1 46 . LEU . 17067 1 47 . ILE . 17067 1 48 . LEU . 17067 1 49 . PRO . 17067 1 50 . ASN . 17067 1 51 . GLY . 17067 1 52 . ASN . 17067 1 53 . ILE . 17067 1 54 . ASN . 17067 1 55 . TRP . 17067 1 56 . ASN . 17067 1 57 . SER . 17067 1 58 . PRO . 17067 1 59 . CYS . 17067 1 60 . LEU . 17067 1 61 . GLY . 17067 1 62 . GLY . 17067 1 63 . MET . 17067 1 64 . ALA . 17067 1 65 . SER . 17067 1 66 . GLY . 17067 1 67 . PRO . 17067 1 68 . CYS . 17067 1 69 . GLY . 17067 1 70 . GLU . 17067 1 71 . GLN . 17067 1 72 . PHE . 17067 1 73 . LYS . 17067 1 74 . SER . 17067 1 75 . ALA . 17067 1 76 . PHE . 17067 1 77 . SER . 17067 1 78 . CYS . 17067 1 79 . PHE . 17067 1 80 . HIS . 17067 1 81 . TYR . 17067 1 82 . SER . 17067 1 83 . THR . 17067 1 84 . GLU . 17067 1 85 . GLU . 17067 1 86 . ILE . 17067 1 87 . LYS . 17067 1 88 . GLY . 17067 1 89 . SER . 17067 1 90 . ASP . 17067 1 91 . CYS . 17067 1 92 . VAL . 17067 1 93 . ASP . 17067 1 94 . GLN . 17067 1 95 . PHE . 17067 1 96 . ARG . 17067 1 97 . ALA . 17067 1 98 . MET . 17067 1 99 . GLN . 17067 1 100 . GLU . 17067 1 101 . CYS . 17067 1 102 . MET . 17067 1 103 . GLN . 17067 1 104 . LYS . 17067 1 105 . TYR . 17067 1 106 . PRO . 17067 1 107 . ASP . 17067 1 108 . LEU . 17067 1 109 . TYR . 17067 1 110 . PRO . 17067 1 111 . GLN . 17067 1 112 . GLU . 17067 1 113 . ASP . 17067 1 114 . GLU . 17067 1 115 . ASP . 17067 1 116 . GLU . 17067 1 117 . GLU . 17067 1 118 . GLU . 17067 1 119 . GLU . 17067 1 120 . ARG . 17067 1 121 . GLU . 17067 1 122 . LYS . 17067 1 123 . LYS . 17067 1 124 . PRO . 17067 1 125 . ALA . 17067 1 126 . GLU . 17067 1 127 . GLN . 17067 1 128 . ALA . 17067 1 129 . GLU . 17067 1 130 . GLU . 17067 1 131 . THR . 17067 1 132 . ALA . 17067 1 133 . PRO . 17067 1 134 . ILE . 17067 1 135 . GLU . 17067 1 136 . ALA . 17067 1 137 . THR . 17067 1 138 . ALA . 17067 1 139 . THR . 17067 1 140 . LYS . 17067 1 141 . GLU . 17067 1 142 . GLU . 17067 1 143 . GLU . 17067 1 144 . GLY . 17067 1 145 . SER . 17067 1 146 . SER . 17067 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 17067 1 . SER 2 2 17067 1 . PHE 3 3 17067 1 . THR 4 4 17067 1 . MET 5 5 17067 1 . SER 6 6 17067 1 . TYR 7 7 17067 1 . CYS 8 8 17067 1 . ARG 9 9 17067 1 . GLN 10 10 17067 1 . GLU 11 11 17067 1 . GLY 12 12 17067 1 . LYS 13 13 17067 1 . ASP 14 14 17067 1 . ARG 15 15 17067 1 . ILE 16 16 17067 1 . ILE 17 17 17067 1 . PHE 18 18 17067 1 . VAL 19 19 17067 1 . THR 20 20 17067 1 . LYS 21 21 17067 1 . GLU 22 22 17067 1 . ASP 23 23 17067 1 . HIS 24 24 17067 1 . GLU 25 25 17067 1 . THR 26 26 17067 1 . PRO 27 27 17067 1 . SER 28 28 17067 1 . SER 29 29 17067 1 . ALA 30 30 17067 1 . GLU 31 31 17067 1 . LEU 32 32 17067 1 . VAL 33 33 17067 1 . ALA 34 34 17067 1 . ASP 35 35 17067 1 . ASP 36 36 17067 1 . PRO 37 37 17067 1 . ASN 38 38 17067 1 . ASP 39 39 17067 1 . PRO 40 40 17067 1 . TYR 41 41 17067 1 . GLU 42 42 17067 1 . GLU 43 43 17067 1 . HIS 44 44 17067 1 . GLY 45 45 17067 1 . LEU 46 46 17067 1 . ILE 47 47 17067 1 . LEU 48 48 17067 1 . PRO 49 49 17067 1 . ASN 50 50 17067 1 . GLY 51 51 17067 1 . ASN 52 52 17067 1 . ILE 53 53 17067 1 . ASN 54 54 17067 1 . TRP 55 55 17067 1 . ASN 56 56 17067 1 . SER 57 57 17067 1 . PRO 58 58 17067 1 . CYS 59 59 17067 1 . LEU 60 60 17067 1 . GLY 61 61 17067 1 . GLY 62 62 17067 1 . MET 63 63 17067 1 . ALA 64 64 17067 1 . SER 65 65 17067 1 . GLY 66 66 17067 1 . PRO 67 67 17067 1 . CYS 68 68 17067 1 . GLY 69 69 17067 1 . GLU 70 70 17067 1 . GLN 71 71 17067 1 . PHE 72 72 17067 1 . LYS 73 73 17067 1 . SER 74 74 17067 1 . ALA 75 75 17067 1 . PHE 76 76 17067 1 . SER 77 77 17067 1 . CYS 78 78 17067 1 . PHE 79 79 17067 1 . HIS 80 80 17067 1 . TYR 81 81 17067 1 . SER 82 82 17067 1 . THR 83 83 17067 1 . GLU 84 84 17067 1 . GLU 85 85 17067 1 . ILE 86 86 17067 1 . LYS 87 87 17067 1 . GLY 88 88 17067 1 . SER 89 89 17067 1 . ASP 90 90 17067 1 . CYS 91 91 17067 1 . VAL 92 92 17067 1 . ASP 93 93 17067 1 . GLN 94 94 17067 1 . PHE 95 95 17067 1 . ARG 96 96 17067 1 . ALA 97 97 17067 1 . MET 98 98 17067 1 . GLN 99 99 17067 1 . GLU 100 100 17067 1 . CYS 101 101 17067 1 . MET 102 102 17067 1 . GLN 103 103 17067 1 . LYS 104 104 17067 1 . TYR 105 105 17067 1 . PRO 106 106 17067 1 . ASP 107 107 17067 1 . LEU 108 108 17067 1 . TYR 109 109 17067 1 . PRO 110 110 17067 1 . GLN 111 111 17067 1 . GLU 112 112 17067 1 . ASP 113 113 17067 1 . GLU 114 114 17067 1 . ASP 115 115 17067 1 . GLU 116 116 17067 1 . GLU 117 117 17067 1 . GLU 118 118 17067 1 . GLU 119 119 17067 1 . ARG 120 120 17067 1 . GLU 121 121 17067 1 . LYS 122 122 17067 1 . LYS 123 123 17067 1 . PRO 124 124 17067 1 . ALA 125 125 17067 1 . GLU 126 126 17067 1 . GLN 127 127 17067 1 . ALA 128 128 17067 1 . GLU 129 129 17067 1 . GLU 130 130 17067 1 . THR 131 131 17067 1 . ALA 132 132 17067 1 . PRO 133 133 17067 1 . ILE 134 134 17067 1 . GLU 135 135 17067 1 . ALA 136 136 17067 1 . THR 137 137 17067 1 . ALA 138 138 17067 1 . THR 139 139 17067 1 . LYS 140 140 17067 1 . GLU 141 141 17067 1 . GLU 142 142 17067 1 . GLU 143 143 17067 1 . GLY 144 144 17067 1 . SER 145 145 17067 1 . SER 146 146 17067 1 stop_ save_ save_Cox17 _Entity.Sf_category entity _Entity.Sf_framecode Cox17 _Entity.Entry_ID 17067 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Cox17 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSFTMPGLVDSNPAPPESQE KKPLKPCCASPETKKARDAS IIEKGEEHCGHLIEAHKESM RALGFKI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'Triple mutant C30/40/59S' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2412.846 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2013-12-02 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no BMRB 17821 . "Human C30S/C59S-Cox17 mutant" . . . . . 100.00 67 98.51 98.51 4.68e-39 . . . . 17067 2 no PDB 2LGQ . "Human C30sC59S-Cox17 Mutant" . . . . . 100.00 67 98.51 98.51 4.68e-39 . . . . 17067 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Copper Chaperone of CcO' 17067 2 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 . 17067 2 2 . SER . 17067 2 3 . PHE . 17067 2 4 . THR . 17067 2 5 . MET . 17067 2 6 . PRO . 17067 2 7 . GLY . 17067 2 8 . LEU . 17067 2 9 . VAL . 17067 2 10 . ASP . 17067 2 11 . SER . 17067 2 12 . ASN . 17067 2 13 . PRO . 17067 2 14 . ALA . 17067 2 15 . PRO . 17067 2 16 . PRO . 17067 2 17 . GLU . 17067 2 18 . SER . 17067 2 19 . GLN . 17067 2 20 . GLU . 17067 2 21 . LYS . 17067 2 22 . LYS . 17067 2 23 . PRO . 17067 2 24 . LEU . 17067 2 25 . LYS . 17067 2 26 . PRO . 17067 2 27 . CYS . 17067 2 28 . CYS . 17067 2 29 . ALA . 17067 2 30 . SER . 17067 2 31 . PRO . 17067 2 32 . GLU . 17067 2 33 . THR . 17067 2 34 . LYS . 17067 2 35 . LYS . 17067 2 36 . ALA . 17067 2 37 . ARG . 17067 2 38 . ASP . 17067 2 39 . ALA . 17067 2 40 . SER . 17067 2 41 . ILE . 17067 2 42 . ILE . 17067 2 43 . GLU . 17067 2 44 . LYS . 17067 2 45 . GLY . 17067 2 46 . GLU . 17067 2 47 . GLU . 17067 2 48 . HIS . 17067 2 49 . CYS . 17067 2 50 . GLY . 17067 2 51 . HIS . 17067 2 52 . LEU . 17067 2 53 . ILE . 17067 2 54 . GLU . 17067 2 55 . ALA . 17067 2 56 . HIS . 17067 2 57 . LYS . 17067 2 58 . GLU . 17067 2 59 . SER . 17067 2 60 . MET . 17067 2 61 . ARG . 17067 2 62 . ALA . 17067 2 63 . LEU . 17067 2 64 . GLY . 17067 2 65 . PHE . 17067 2 66 . LYS . 17067 2 67 . ILE . 17067 2 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 17067 2 . SER 2 2 17067 2 . PHE 3 3 17067 2 . THR 4 4 17067 2 . MET 5 5 17067 2 . PRO 6 6 17067 2 . GLY 7 7 17067 2 . LEU 8 8 17067 2 . VAL 9 9 17067 2 . ASP 10 10 17067 2 . SER 11 11 17067 2 . ASN 12 12 17067 2 . PRO 13 13 17067 2 . ALA 14 14 17067 2 . PRO 15 15 17067 2 . PRO 16 16 17067 2 . GLU 17 17 17067 2 . SER 18 18 17067 2 . GLN 19 19 17067 2 . GLU 20 20 17067 2 . LYS 21 21 17067 2 . LYS 22 22 17067 2 . PRO 23 23 17067 2 . LEU 24 24 17067 2 . LYS 25 25 17067 2 . PRO 26 26 17067 2 . CYS 27 27 17067 2 . CYS 28 28 17067 2 . ALA 29 29 17067 2 . SER 30 30 17067 2 . PRO 31 31 17067 2 . GLU 32 32 17067 2 . THR 33 33 17067 2 . LYS 34 34 17067 2 . LYS 35 35 17067 2 . ALA 36 36 17067 2 . ARG 37 37 17067 2 . ASP 38 38 17067 2 . ALA 39 39 17067 2 . SER 40 40 17067 2 . ILE 41 41 17067 2 . ILE 42 42 17067 2 . GLU 43 43 17067 2 . LYS 44 44 17067 2 . GLY 45 45 17067 2 . GLU 46 46 17067 2 . GLU 47 47 17067 2 . HIS 48 48 17067 2 . CYS 49 49 17067 2 . GLY 50 50 17067 2 . HIS 51 51 17067 2 . LEU 52 52 17067 2 . ILE 53 53 17067 2 . GLU 54 54 17067 2 . ALA 55 55 17067 2 . HIS 56 56 17067 2 . LYS 57 57 17067 2 . GLU 58 58 17067 2 . SER 59 59 17067 2 . MET 60 60 17067 2 . ARG 61 61 17067 2 . ALA 62 62 17067 2 . LEU 63 63 17067 2 . GLY 64 64 17067 2 . PHE 65 65 17067 2 . LYS 66 66 17067 2 . ILE 67 67 17067 2 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 17067 _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 $Mia40 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17067 1 2 2 $Cox17 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17067 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 17067 _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 $Mia40 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST-His-MBP . . . . . . 17067 1 2 2 $Cox17 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETG-30A . . . . . . 17067 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17067 _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 Mia40 '[U-100% 13C; U-100% 15N]' . . 1 $Mia40 . . 0.5 . . mM . . . . 17067 1 2 Cox17 'natural abundance' . . 2 $Cox17 . . 0.5 . . mM . . . . 17067 1 3 Phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 17067 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17067 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17067 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17067 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17067 _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 Cox17 '[U-100% 13C; U-100% 15N]' . . 1 $Mia40 . . 0.5 . . mM . . . . 17067 2 2 Mia40 'natural abundance' . . 2 $Cox17 . . 0.5 . . mM . . . . 17067 2 3 Phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 17067 2 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 17067 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17067 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17067 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 17067 _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 17067 1 pH 7.0 . pH 17067 1 pressure 1 . atm 17067 1 temperature 298 . K 17067 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17067 _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' . . 17067 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17067 1 processing 17067 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17067 _Software.ID 2 _Software.Name CARA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17067 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17067 2 'data analysis' 17067 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17067 _Software.ID 3 _Software.Name AMBER _Software.Version 10.0 _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' . . 17067 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17067 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17067 _Software.ID 4 _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' . . 17067 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17067 4 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 17067 _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 17067 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17067 _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 . . . 17067 1 2 spectrometer_2 Bruker Avance . 500 . . . 17067 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 17067 _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 . . . . . . . . . . . . . . . . 17067 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 11 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 12 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 14 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17067 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 19 '3D ω1- 13C-edited, ω2-13C-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 1 20 '3D ω1- 13C-edited, ω2-13C-filtered NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17067 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 17067 _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 Dioxane 'methylene carbons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17067 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17067 1 N 15 TMS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 17067 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_Mia40_cs _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Mia40_cs _Assigned_chem_shift_list.Entry_ID 17067 _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' . . . 17067 1 2 '2D 1H-15N HSQC' . . . 17067 1 5 '3D HNCO' . . . 17067 1 6 '3D HNCA' . . . 17067 1 7 '3D HNCACB' . . . 17067 1 10 '3D HNCO' . . . 17067 1 11 '3D HNCA' . . . 17067 1 12 '3D HNCACB' . . . 17067 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 2 $CARA . . 17067 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 26 26 THR H H 1 8.27 0.02 . 1 . . . . 26 THR H . 17067 1 2 . 1 1 26 26 THR C C 13 170.0 0.3 . 1 . . . . 26 THR C . 17067 1 3 . 1 1 26 26 THR CA C 13 57.1 0.3 . 1 . . . . 26 THR CA . 17067 1 4 . 1 1 26 26 THR CB C 13 66.9 0.3 . 1 . . . . 26 THR CB . 17067 1 5 . 1 1 26 26 THR N N 15 118.4 0.3 . 1 . . . . 26 THR N . 17067 1 6 . 1 1 28 28 SER H H 1 8.43 0.02 . 1 . . . . 28 SER H . 17067 1 7 . 1 1 28 28 SER HA H 1 4.31 0.02 . 1 . . . . 28 SER HA . 17067 1 8 . 1 1 28 28 SER C C 13 172.1 0.3 . 1 . . . . 28 SER C . 17067 1 9 . 1 1 28 28 SER CA C 13 55.5 0.3 . 1 . . . . 28 SER CA . 17067 1 10 . 1 1 28 28 SER CB C 13 61.1 0.3 . 1 . . . . 28 SER CB . 17067 1 11 . 1 1 28 28 SER N N 15 116.5 0.3 . 1 . . . . 28 SER N . 17067 1 12 . 1 1 29 29 SER H H 1 8.27 0.02 . 1 . . . . 29 SER H . 17067 1 13 . 1 1 29 29 SER HA H 1 4.29 0.02 . 1 . . . . 29 SER HA . 17067 1 14 . 1 1 29 29 SER C C 13 171.6 0.3 . 1 . . . . 29 SER C . 17067 1 15 . 1 1 29 29 SER CA C 13 55.7 0.3 . 1 . . . . 29 SER CA . 17067 1 16 . 1 1 29 29 SER CB C 13 60.9 0.3 . 1 . . . . 29 SER CB . 17067 1 17 . 1 1 29 29 SER N N 15 117.6 0.3 . 1 . . . . 29 SER N . 17067 1 18 . 1 1 30 30 ALA H H 1 8.20 0.02 . 1 . . . . 30 ALA H . 17067 1 19 . 1 1 30 30 ALA HA H 1 4.18 0.02 . 1 . . . . 30 ALA HA . 17067 1 20 . 1 1 30 30 ALA C C 13 174.9 0.3 . 1 . . . . 30 ALA C . 17067 1 21 . 1 1 30 30 ALA CA C 13 50.0 0.3 . 1 . . . . 30 ALA CA . 17067 1 22 . 1 1 30 30 ALA CB C 13 16.3 0.3 . 1 . . . . 30 ALA CB . 17067 1 23 . 1 1 30 30 ALA N N 15 125.5 0.3 . 1 . . . . 30 ALA N . 17067 1 24 . 1 1 31 31 GLU H H 1 8.14 0.02 . 1 . . . . 31 GLU H . 17067 1 25 . 1 1 31 31 GLU HA H 1 4.12 0.02 . 1 . . . . 31 GLU HA . 17067 1 26 . 1 1 31 31 GLU HB2 H 1 1.83 0.02 . 2 . . . . 31 GLU HB2 . 17067 1 27 . 1 1 31 31 GLU HB3 H 1 1.92 0.02 . 2 . . . . 31 GLU HB3 . 17067 1 28 . 1 1 31 31 GLU HG2 H 1 2.14 0.02 . 2 . . . . 31 GLU HG2 . 17067 1 29 . 1 1 31 31 GLU HG3 H 1 2.12 0.02 . 2 . . . . 31 GLU HG3 . 17067 1 30 . 1 1 31 31 GLU C C 13 173.5 0.3 . 1 . . . . 31 GLU C . 17067 1 31 . 1 1 31 31 GLU CA C 13 53.8 0.3 . 1 . . . . 31 GLU CA . 17067 1 32 . 1 1 31 31 GLU CB C 13 27.3 0.3 . 1 . . . . 31 GLU CB . 17067 1 33 . 1 1 31 31 GLU CG C 13 33.4 0.3 . 1 . . . . 31 GLU CG . 17067 1 34 . 1 1 31 31 GLU N N 15 119.3 0.3 . 1 . . . . 31 GLU N . 17067 1 35 . 1 1 32 32 LEU H H 1 8.05 0.02 . 1 . . . . 32 LEU H . 17067 1 36 . 1 1 32 32 LEU HA H 1 4.23 0.02 . 1 . . . . 32 LEU HA . 17067 1 37 . 1 1 32 32 LEU HB2 H 1 1.41 0.02 . 2 . . . . 32 LEU HB2 . 17067 1 38 . 1 1 32 32 LEU HB3 H 1 1.49 0.02 . 2 . . . . 32 LEU HB3 . 17067 1 39 . 1 1 32 32 LEU HG H 1 1.47 0.02 . 1 . . . . 32 LEU HG . 17067 1 40 . 1 1 32 32 LEU C C 13 174.3 0.3 . 1 . . . . 32 LEU C . 17067 1 41 . 1 1 32 32 LEU CA C 13 52.3 0.3 . 1 . . . . 32 LEU CA . 17067 1 42 . 1 1 32 32 LEU CB C 13 39.5 0.3 . 1 . . . . 32 LEU CB . 17067 1 43 . 1 1 32 32 LEU CD1 C 13 22.0 0.3 . 1 . . . . 32 LEU CD1 . 17067 1 44 . 1 1 32 32 LEU CD2 C 13 20.8 0.3 . 1 . . . . 32 LEU CD2 . 17067 1 45 . 1 1 32 32 LEU CG C 13 24.2 0.3 . 1 . . . . 32 LEU CG . 17067 1 46 . 1 1 32 32 LEU N N 15 123.1 0.3 . 1 . . . . 32 LEU N . 17067 1 47 . 1 1 33 33 VAL H H 1 8.05 0.02 . 1 . . . . 33 VAL H . 17067 1 48 . 1 1 33 33 VAL HA H 1 3.96 0.02 . 1 . . . . 33 VAL HA . 17067 1 49 . 1 1 33 33 VAL HB H 1 1.92 0.02 . 1 . . . . 33 VAL HB . 17067 1 50 . 1 1 33 33 VAL C C 13 172.9 0.3 . 1 . . . . 33 VAL C . 17067 1 51 . 1 1 33 33 VAL CA C 13 59.1 0.3 . 1 . . . . 33 VAL CA . 17067 1 52 . 1 1 33 33 VAL CB C 13 29.9 0.3 . 1 . . . . 33 VAL CB . 17067 1 53 . 1 1 33 33 VAL CG1 C 13 17.8 0.3 . 1 . . . . 33 VAL CG1 . 17067 1 54 . 1 1 33 33 VAL CG2 C 13 18.5 0.3 . 1 . . . . 33 VAL CG2 . 17067 1 55 . 1 1 33 33 VAL N N 15 122.0 0.3 . 1 . . . . 33 VAL N . 17067 1 56 . 1 1 34 34 ALA H H 1 8.29 0.02 . 1 . . . . 34 ALA H . 17067 1 57 . 1 1 34 34 ALA HA H 1 4.18 0.02 . 1 . . . . 34 ALA HA . 17067 1 58 . 1 1 34 34 ALA C C 13 174.3 0.3 . 1 . . . . 34 ALA C . 17067 1 59 . 1 1 34 34 ALA CA C 13 49.4 0.3 . 1 . . . . 34 ALA CA . 17067 1 60 . 1 1 34 34 ALA CB C 13 16.6 0.3 . 1 . . . . 34 ALA CB . 17067 1 61 . 1 1 34 34 ALA N N 15 128.4 0.3 . 1 . . . . 34 ALA N . 17067 1 62 . 1 1 35 35 ASP H H 1 8.18 0.02 . 1 . . . . 35 ASP H . 17067 1 63 . 1 1 35 35 ASP HA H 1 4.34 0.02 . 1 . . . . 35 ASP HA . 17067 1 64 . 1 1 35 35 ASP C C 13 172.8 0.3 . 1 . . . . 35 ASP C . 17067 1 65 . 1 1 35 35 ASP CA C 13 51.4 0.3 . 1 . . . . 35 ASP CA . 17067 1 66 . 1 1 35 35 ASP CB C 13 38.4 0.3 . 1 . . . . 35 ASP CB . 17067 1 67 . 1 1 35 35 ASP N N 15 120.2 0.3 . 1 . . . . 35 ASP N . 17067 1 68 . 1 1 36 36 ASP H H 1 8.23 0.02 . 1 . . . . 36 ASP H . 17067 1 69 . 1 1 36 36 ASP HA H 1 4.74 0.02 . 1 . . . . 36 ASP HA . 17067 1 70 . 1 1 36 36 ASP HB2 H 1 2.70 0.02 . 2 . . . . 36 ASP HB2 . 17067 1 71 . 1 1 36 36 ASP HB3 H 1 2.43 0.02 . 2 . . . . 36 ASP HB3 . 17067 1 72 . 1 1 36 36 ASP C C 13 172.4 0.3 . 1 . . . . 36 ASP C . 17067 1 73 . 1 1 36 36 ASP CA C 13 49.1 0.3 . 1 . . . . 36 ASP CA . 17067 1 74 . 1 1 36 36 ASP CB C 13 38.6 0.3 . 1 . . . . 36 ASP CB . 17067 1 75 . 1 1 36 36 ASP N N 15 121.9 0.3 . 1 . . . . 36 ASP N . 17067 1 76 . 1 1 37 37 PRO HA H 1 4.26 0.02 . 1 . . . . 37 PRO HA . 17067 1 77 . 1 1 37 37 PRO HB2 H 1 2.10 0.02 . 2 . . . . 37 PRO HB2 . 17067 1 78 . 1 1 37 37 PRO HB3 H 1 1.82 0.02 . 2 . . . . 37 PRO HB3 . 17067 1 79 . 1 1 37 37 PRO HD2 H 1 3.70 0.02 . 2 . . . . 37 PRO HD2 . 17067 1 80 . 1 1 37 37 PRO HD3 H 1 3.60 0.02 . 2 . . . . 37 PRO HD3 . 17067 1 81 . 1 1 37 37 PRO HG2 H 1 1.90 0.02 . 2 . . . . 37 PRO HG2 . 17067 1 82 . 1 1 37 37 PRO HG3 H 1 1.83 0.02 . 2 . . . . 37 PRO HG3 . 17067 1 83 . 1 1 37 37 PRO CA C 13 60.7 0.3 . 1 . . . . 37 PRO CA . 17067 1 84 . 1 1 37 37 PRO CB C 13 29.2 0.3 . 1 . . . . 37 PRO CB . 17067 1 85 . 1 1 37 37 PRO CD C 13 47.9 0.3 . 1 . . . . 37 PRO CD . 17067 1 86 . 1 1 37 37 PRO CG C 13 24.0 0.3 . 1 . . . . 37 PRO CG . 17067 1 87 . 1 1 38 38 ASN H H 1 8.39 0.02 . 1 . . . . 38 ASN H . 17067 1 88 . 1 1 38 38 ASN HA H 1 4.51 0.02 . 1 . . . . 38 ASN HA . 17067 1 89 . 1 1 38 38 ASN HB2 H 1 2.65 0.02 . 2 . . . . 38 ASN HB2 . 17067 1 90 . 1 1 38 38 ASN HB3 H 1 2.61 0.02 . 2 . . . . 38 ASN HB3 . 17067 1 91 . 1 1 38 38 ASN HD21 H 1 6.84 0.02 . 1 . . . . 38 ASN HD21 . 17067 1 92 . 1 1 38 38 ASN HD22 H 1 7.72 0.02 . 1 . . . . 38 ASN HD22 . 17067 1 93 . 1 1 38 38 ASN C C 13 171.8 0.3 . 1 . . . . 38 ASN C . 17067 1 94 . 1 1 38 38 ASN CA C 13 50.5 0.3 . 1 . . . . 38 ASN CA . 17067 1 95 . 1 1 38 38 ASN CB C 13 36.2 0.3 . 1 . . . . 38 ASN CB . 17067 1 96 . 1 1 38 38 ASN N N 15 117.9 0.3 . 1 . . . . 38 ASN N . 17067 1 97 . 1 1 39 39 ASP H H 1 8.04 0.02 . 1 . . . . 39 ASP H . 17067 1 98 . 1 1 39 39 ASP HA H 1 4.72 0.02 . 1 . . . . 39 ASP HA . 17067 1 99 . 1 1 39 39 ASP HB2 H 1 2.41 0.02 . 2 . . . . 39 ASP HB2 . 17067 1 100 . 1 1 39 39 ASP HB3 H 1 2.66 0.02 . 2 . . . . 39 ASP HB3 . 17067 1 101 . 1 1 39 39 ASP C C 13 171.7 0.3 . 1 . . . . 39 ASP C . 17067 1 102 . 1 1 39 39 ASP CA C 13 49.5 0.3 . 1 . . . . 39 ASP CA . 17067 1 103 . 1 1 39 39 ASP CB C 13 38.3 0.3 . 1 . . . . 39 ASP CB . 17067 1 104 . 1 1 39 39 ASP N N 15 121.6 0.3 . 1 . . . . 39 ASP N . 17067 1 105 . 1 1 41 41 TYR H H 1 8.21 0.02 . 1 . . . . 41 TYR H . 17067 1 106 . 1 1 41 41 TYR C C 13 173.1 0.3 . 1 . . . . 41 TYR C . 17067 1 107 . 1 1 41 41 TYR CA C 13 55.3 0.3 . 1 . . . . 41 TYR CA . 17067 1 108 . 1 1 41 41 TYR CB C 13 35.5 0.3 . 1 . . . . 41 TYR CB . 17067 1 109 . 1 1 41 41 TYR N N 15 119.8 0.3 . 1 . . . . 41 TYR N . 17067 1 110 . 1 1 42 42 GLU H H 1 7.86 0.02 . 1 . . . . 42 GLU H . 17067 1 111 . 1 1 42 42 GLU C C 13 173.2 0.3 . 1 . . . . 42 GLU C . 17067 1 112 . 1 1 42 42 GLU CA C 13 53.6 0.3 . 1 . . . . 42 GLU CA . 17067 1 113 . 1 1 42 42 GLU CB C 13 27.6 0.3 . 1 . . . . 42 GLU CB . 17067 1 114 . 1 1 42 42 GLU N N 15 122.3 0.3 . 1 . . . . 42 GLU N . 17067 1 115 . 1 1 44 44 HIS HA H 1 4.51 0.02 . 1 . . . . 44 HIS HA . 17067 1 116 . 1 1 44 44 HIS HB2 H 1 3.05 0.02 . 2 . . . . 44 HIS HB2 . 17067 1 117 . 1 1 44 44 HIS HB3 H 1 2.95 0.02 . 2 . . . . 44 HIS HB3 . 17067 1 118 . 1 1 44 44 HIS CA C 13 53.1 0.3 . 1 . . . . 44 HIS CA . 17067 1 119 . 1 1 44 44 HIS CB C 13 27.6 0.3 . 1 . . . . 44 HIS CB . 17067 1 120 . 1 1 45 45 GLY H H 1 8.23 0.02 . 1 . . . . 45 GLY H . 17067 1 121 . 1 1 45 45 GLY HA2 H 1 3.78 0.02 . 2 . . . . 45 GLY HA2 . 17067 1 122 . 1 1 45 45 GLY HA3 H 1 3.93 0.02 . 2 . . . . 45 GLY HA3 . 17067 1 123 . 1 1 45 45 GLY C C 13 171.0 0.3 . 1 . . . . 45 GLY C . 17067 1 124 . 1 1 45 45 GLY CA C 13 42.7 0.3 . 1 . . . . 45 GLY CA . 17067 1 125 . 1 1 45 45 GLY N N 15 108.8 0.3 . 1 . . . . 45 GLY N . 17067 1 126 . 1 1 46 46 LEU HA H 1 3.99 0.02 . 1 . . . . 46 LEU HA . 17067 1 127 . 1 1 46 46 LEU HB2 H 1 1.43 0.02 . 2 . . . . 46 LEU HB2 . 17067 1 128 . 1 1 46 46 LEU HB3 H 1 1.49 0.02 . 2 . . . . 46 LEU HB3 . 17067 1 129 . 1 1 46 46 LEU HG H 1 0.74 0.02 . 1 . . . . 46 LEU HG . 17067 1 130 . 1 1 46 46 LEU CA C 13 54.8 0.3 . 1 . . . . 46 LEU CA . 17067 1 131 . 1 1 46 46 LEU CB C 13 40.2 0.3 . 1 . . . . 46 LEU CB . 17067 1 132 . 1 1 46 46 LEU CD1 C 13 21.3 0.3 . 1 . . . . 46 LEU CD1 . 17067 1 133 . 1 1 46 46 LEU CD2 C 13 21.1 0.3 . 1 . . . . 46 LEU CD2 . 17067 1 134 . 1 1 46 46 LEU CG C 13 22.7 0.3 . 1 . . . . 46 LEU CG . 17067 1 135 . 1 1 47 47 ILE H H 1 7.62 0.02 . 1 . . . . 47 ILE H . 17067 1 136 . 1 1 47 47 ILE HA H 1 4.21 0.02 . 1 . . . . 47 ILE HA . 17067 1 137 . 1 1 47 47 ILE HB H 1 1.71 0.02 . 1 . . . . 47 ILE HB . 17067 1 138 . 1 1 47 47 ILE HG12 H 1 1.26 0.02 . 2 . . . . 47 ILE HG12 . 17067 1 139 . 1 1 47 47 ILE HG13 H 1 1.09 0.02 . 2 . . . . 47 ILE HG13 . 17067 1 140 . 1 1 47 47 ILE C C 13 174.4 0.3 . 1 . . . . 47 ILE C . 17067 1 141 . 1 1 47 47 ILE CA C 13 54.8 0.3 . 1 . . . . 47 ILE CA . 17067 1 142 . 1 1 47 47 ILE CB C 13 33.9 0.3 . 1 . . . . 47 ILE CB . 17067 1 143 . 1 1 47 47 ILE CD1 C 13 6.8 0.3 . 1 . . . . 47 ILE CD1 . 17067 1 144 . 1 1 47 47 ILE CG1 C 13 23.5 0.3 . 1 . . . . 47 ILE CG1 . 17067 1 145 . 1 1 47 47 ILE CG2 C 13 14.0 0.3 . 1 . . . . 47 ILE CG2 . 17067 1 146 . 1 1 47 47 ILE N N 15 115.3 0.3 . 1 . . . . 47 ILE N . 17067 1 147 . 1 1 48 48 LEU H H 1 8.73 0.02 . 1 . . . . 48 LEU H . 17067 1 148 . 1 1 48 48 LEU HA H 1 4.21 0.02 . 1 . . . . 48 LEU HA . 17067 1 149 . 1 1 48 48 LEU HB2 H 1 1.49 0.02 . 2 . . . . 48 LEU HB2 . 17067 1 150 . 1 1 48 48 LEU HB3 H 1 1.41 0.02 . 2 . . . . 48 LEU HB3 . 17067 1 151 . 1 1 48 48 LEU HG H 1 0.66 0.02 . 1 . . . . 48 LEU HG . 17067 1 152 . 1 1 48 48 LEU C C 13 174.4 0.3 . 1 . . . . 48 LEU C . 17067 1 153 . 1 1 48 48 LEU CA C 13 51.4 0.3 . 1 . . . . 48 LEU CA . 17067 1 154 . 1 1 48 48 LEU CB C 13 37.4 0.3 . 1 . . . . 48 LEU CB . 17067 1 155 . 1 1 48 48 LEU CD1 C 13 17.7 0.3 . 1 . . . . 48 LEU CD1 . 17067 1 156 . 1 1 48 48 LEU CD2 C 13 19.6 0.3 . 1 . . . . 48 LEU CD2 . 17067 1 157 . 1 1 48 48 LEU CG C 13 22.7 0.3 . 1 . . . . 48 LEU CG . 17067 1 158 . 1 1 48 48 LEU N N 15 127.5 0.3 . 1 . . . . 48 LEU N . 17067 1 159 . 1 1 49 49 PRO HA H 1 4.15 0.02 . 1 . . . . 49 PRO HA . 17067 1 160 . 1 1 49 49 PRO HB2 H 1 2.24 0.02 . 2 . . . . 49 PRO HB2 . 17067 1 161 . 1 1 49 49 PRO HB3 H 1 1.72 0.02 . 2 . . . . 49 PRO HB3 . 17067 1 162 . 1 1 49 49 PRO HG2 H 1 2.01 0.02 . 2 . . . . 49 PRO HG2 . 17067 1 163 . 1 1 49 49 PRO HG3 H 1 1.91 0.02 . 2 . . . . 49 PRO HG3 . 17067 1 164 . 1 1 49 49 PRO CA C 13 62.7 0.3 . 1 . . . . 49 PRO CA . 17067 1 165 . 1 1 49 49 PRO CB C 13 29.2 0.3 . 1 . . . . 49 PRO CB . 17067 1 166 . 1 1 49 49 PRO CD C 13 47.5 0.3 . 1 . . . . 49 PRO CD . 17067 1 167 . 1 1 49 49 PRO CG C 13 24.7 0.3 . 1 . . . . 49 PRO CG . 17067 1 168 . 1 1 50 50 ASN H H 1 7.21 0.02 . 1 . . . . 50 ASN H . 17067 1 169 . 1 1 50 50 ASN HA H 1 4.40 0.02 . 1 . . . . 50 ASN HA . 17067 1 170 . 1 1 50 50 ASN HB2 H 1 3.07 0.02 . 2 . . . . 50 ASN HB2 . 17067 1 171 . 1 1 50 50 ASN HB3 H 1 2.65 0.02 . 2 . . . . 50 ASN HB3 . 17067 1 172 . 1 1 50 50 ASN HD21 H 1 6.44 0.02 . 1 . . . . 50 ASN HD21 . 17067 1 173 . 1 1 50 50 ASN HD22 H 1 7.28 0.02 . 1 . . . . 50 ASN HD22 . 17067 1 174 . 1 1 50 50 ASN C C 13 173.7 0.3 . 1 . . . . 50 ASN C . 17067 1 175 . 1 1 50 50 ASN CA C 13 49.5 0.3 . 1 . . . . 50 ASN CA . 17067 1 176 . 1 1 50 50 ASN CB C 13 34.3 0.3 . 1 . . . . 50 ASN CB . 17067 1 177 . 1 1 50 50 ASN N N 15 111.0 0.3 . 1 . . . . 50 ASN N . 17067 1 178 . 1 1 51 51 GLY H H 1 8.38 0.02 . 1 . . . . 51 GLY H . 17067 1 179 . 1 1 51 51 GLY HA2 H 1 4.21 0.02 . 2 . . . . 51 GLY HA2 . 17067 1 180 . 1 1 51 51 GLY HA3 H 1 3.39 0.02 . 2 . . . . 51 GLY HA3 . 17067 1 181 . 1 1 51 51 GLY C C 13 171.5 0.3 . 1 . . . . 51 GLY C . 17067 1 182 . 1 1 51 51 GLY CA C 13 42.2 0.3 . 1 . . . . 51 GLY CA . 17067 1 183 . 1 1 51 51 GLY N N 15 108.3 0.3 . 1 . . . . 51 GLY N . 17067 1 184 . 1 1 52 52 ASN H H 1 7.83 0.02 . 1 . . . . 52 ASN H . 17067 1 185 . 1 1 52 52 ASN HA H 1 4.64 0.02 . 1 . . . . 52 ASN HA . 17067 1 186 . 1 1 52 52 ASN HB2 H 1 2.77 0.02 . 2 . . . . 52 ASN HB2 . 17067 1 187 . 1 1 52 52 ASN HB3 H 1 2.80 0.02 . 2 . . . . 52 ASN HB3 . 17067 1 188 . 1 1 52 52 ASN HD21 H 1 6.92 0.02 . 1 . . . . 52 ASN HD21 . 17067 1 189 . 1 1 52 52 ASN HD22 H 1 7.07 0.02 . 1 . . . . 52 ASN HD22 . 17067 1 190 . 1 1 52 52 ASN C C 13 170.8 0.3 . 1 . . . . 52 ASN C . 17067 1 191 . 1 1 52 52 ASN CA C 13 49.4 0.3 . 1 . . . . 52 ASN CA . 17067 1 192 . 1 1 52 52 ASN CB C 13 35.9 0.3 . 1 . . . . 52 ASN CB . 17067 1 193 . 1 1 52 52 ASN N N 15 119.2 0.3 . 1 . . . . 52 ASN N . 17067 1 194 . 1 1 53 53 ILE H H 1 8.07 0.02 . 1 . . . . 53 ILE H . 17067 1 195 . 1 1 53 53 ILE HA H 1 3.53 0.02 . 1 . . . . 53 ILE HA . 17067 1 196 . 1 1 53 53 ILE HB H 1 0.52 0.02 . 1 . . . . 53 ILE HB . 17067 1 197 . 1 1 53 53 ILE HG12 H 1 0.14 0.02 . 2 . . . . 53 ILE HG12 . 17067 1 198 . 1 1 53 53 ILE HG13 H 1 1.24 0.02 . 2 . . . . 53 ILE HG13 . 17067 1 199 . 1 1 53 53 ILE C C 13 172.3 0.3 . 1 . . . . 53 ILE C . 17067 1 200 . 1 1 53 53 ILE CA C 13 59.0 0.3 . 1 . . . . 53 ILE CA . 17067 1 201 . 1 1 53 53 ILE CB C 13 35.9 0.3 . 1 . . . . 53 ILE CB . 17067 1 202 . 1 1 53 53 ILE CD1 C 13 11.0 0.3 . 1 . . . . 53 ILE CD1 . 17067 1 203 . 1 1 53 53 ILE CG1 C 13 25.4 0.3 . 1 . . . . 53 ILE CG1 . 17067 1 204 . 1 1 53 53 ILE CG2 C 13 12.6 0.3 . 1 . . . . 53 ILE CG2 . 17067 1 205 . 1 1 53 53 ILE N N 15 120.1 0.3 . 1 . . . . 53 ILE N . 17067 1 206 . 1 1 54 54 ASN H H 1 8.71 0.02 . 1 . . . . 54 ASN H . 17067 1 207 . 1 1 54 54 ASN HA H 1 4.37 0.02 . 1 . . . . 54 ASN HA . 17067 1 208 . 1 1 54 54 ASN HB2 H 1 3.28 0.02 . 2 . . . . 54 ASN HB2 . 17067 1 209 . 1 1 54 54 ASN HB3 H 1 2.10 0.02 . 2 . . . . 54 ASN HB3 . 17067 1 210 . 1 1 54 54 ASN HD21 H 1 7.70 0.02 . 1 . . . . 54 ASN HD21 . 17067 1 211 . 1 1 54 54 ASN HD22 H 1 7.01 0.02 . 1 . . . . 54 ASN HD22 . 17067 1 212 . 1 1 54 54 ASN C C 13 172.3 0.3 . 1 . . . . 54 ASN C . 17067 1 213 . 1 1 54 54 ASN CA C 13 47.4 0.3 . 1 . . . . 54 ASN CA . 17067 1 214 . 1 1 54 54 ASN CB C 13 34.4 0.3 . 1 . . . . 54 ASN CB . 17067 1 215 . 1 1 54 54 ASN N N 15 123.2 0.3 . 1 . . . . 54 ASN N . 17067 1 216 . 1 1 55 55 TRP H H 1 7.56 0.02 . 1 . . . . 55 TRP H . 17067 1 217 . 1 1 55 55 TRP HA H 1 4.31 0.02 . 1 . . . . 55 TRP HA . 17067 1 218 . 1 1 55 55 TRP HB2 H 1 3.25 0.02 . 2 . . . . 55 TRP HB2 . 17067 1 219 . 1 1 55 55 TRP HB3 H 1 2.85 0.02 . 2 . . . . 55 TRP HB3 . 17067 1 220 . 1 1 55 55 TRP HD1 H 1 7.30 0.02 . 1 . . . . 55 TRP HD1 . 17067 1 221 . 1 1 55 55 TRP HE1 H 1 10.10 0.02 . 1 . . . . 55 TRP HE1 . 17067 1 222 . 1 1 55 55 TRP HE3 H 1 7.31 0.02 . 1 . . . . 55 TRP HE3 . 17067 1 223 . 1 1 55 55 TRP HH2 H 1 7.35 0.02 . 1 . . . . 55 TRP HH2 . 17067 1 224 . 1 1 55 55 TRP HZ2 H 1 7.46 0.02 . 1 . . . . 55 TRP HZ2 . 17067 1 225 . 1 1 55 55 TRP HZ3 H 1 6.71 0.02 . 1 . . . . 55 TRP HZ3 . 17067 1 226 . 1 1 55 55 TRP C C 13 172.3 0.3 . 1 . . . . 55 TRP C . 17067 1 227 . 1 1 55 55 TRP CA C 13 55.0 0.3 . 1 . . . . 55 TRP CA . 17067 1 228 . 1 1 55 55 TRP CB C 13 26.2 0.3 . 1 . . . . 55 TRP CB . 17067 1 229 . 1 1 55 55 TRP N N 15 124.5 0.3 . 1 . . . . 55 TRP N . 17067 1 230 . 1 1 56 56 ASN H H 1 7.44 0.02 . 1 . . . . 56 ASN H . 17067 1 231 . 1 1 56 56 ASN HA H 1 4.72 0.02 . 1 . . . . 56 ASN HA . 17067 1 232 . 1 1 56 56 ASN HB2 H 1 2.85 0.02 . 2 . . . . 56 ASN HB2 . 17067 1 233 . 1 1 56 56 ASN HB3 H 1 2.57 0.02 . 2 . . . . 56 ASN HB3 . 17067 1 234 . 1 1 56 56 ASN HD21 H 1 6.88 0.02 . 1 . . . . 56 ASN HD21 . 17067 1 235 . 1 1 56 56 ASN HD22 H 1 7.63 0.02 . 1 . . . . 56 ASN HD22 . 17067 1 236 . 1 1 56 56 ASN C C 13 172.5 0.3 . 1 . . . . 56 ASN C . 17067 1 237 . 1 1 56 56 ASN CA C 13 49.4 0.3 . 1 . . . . 56 ASN CA . 17067 1 238 . 1 1 56 56 ASN CB C 13 36.2 0.3 . 1 . . . . 56 ASN CB . 17067 1 239 . 1 1 56 56 ASN N N 15 112.3 0.3 . 1 . . . . 56 ASN N . 17067 1 240 . 1 1 57 57 SER H H 1 7.31 0.02 . 1 . . . . 57 SER H . 17067 1 241 . 1 1 57 57 SER HA H 1 4.33 0.02 . 1 . . . . 57 SER HA . 17067 1 242 . 1 1 57 57 SER HB2 H 1 3.17 0.02 . 2 . . . . 57 SER HB2 . 17067 1 243 . 1 1 57 57 SER HB3 H 1 2.27 0.02 . 2 . . . . 57 SER HB3 . 17067 1 244 . 1 1 57 57 SER C C 13 173.1 0.3 . 1 . . . . 57 SER C . 17067 1 245 . 1 1 57 57 SER CA C 13 53.9 0.3 . 1 . . . . 57 SER CA . 17067 1 246 . 1 1 57 57 SER CB C 13 58.9 0.3 . 1 . . . . 57 SER CB . 17067 1 247 . 1 1 57 57 SER N N 15 115.4 0.3 . 1 . . . . 57 SER N . 17067 1 248 . 1 1 59 59 CYS H H 1 8.67 0.02 . 1 . . . . 59 CYS H . 17067 1 249 . 1 1 59 59 CYS C C 13 175.4 0.3 . 1 . . . . 59 CYS C . 17067 1 250 . 1 1 59 59 CYS CA C 13 55.2 0.3 . 1 . . . . 59 CYS CA . 17067 1 251 . 1 1 59 59 CYS CB C 13 36.8 0.3 . 1 . . . . 59 CYS CB . 17067 1 252 . 1 1 59 59 CYS N N 15 119.5 0.3 . 1 . . . . 59 CYS N . 17067 1 253 . 1 1 60 60 LEU H H 1 7.84 0.02 . 1 . . . . 60 LEU H . 17067 1 254 . 1 1 60 60 LEU HA H 1 3.39 0.02 . 1 . . . . 60 LEU HA . 17067 1 255 . 1 1 60 60 LEU HB2 H 1 1.71 0.02 . 2 . . . . 60 LEU HB2 . 17067 1 256 . 1 1 60 60 LEU HB3 H 1 1.41 0.02 . 2 . . . . 60 LEU HB3 . 17067 1 257 . 1 1 60 60 LEU HG H 1 1.08 0.02 . 1 . . . . 60 LEU HG . 17067 1 258 . 1 1 60 60 LEU C C 13 175.3 0.3 . 1 . . . . 60 LEU C . 17067 1 259 . 1 1 60 60 LEU CA C 13 52.2 0.3 . 1 . . . . 60 LEU CA . 17067 1 260 . 1 1 60 60 LEU CB C 13 39.7 0.3 . 1 . . . . 60 LEU CB . 17067 1 261 . 1 1 60 60 LEU CD1 C 13 13.9 0.3 . 1 . . . . 60 LEU CD1 . 17067 1 262 . 1 1 60 60 LEU CD2 C 13 6.8 0.3 . 1 . . . . 60 LEU CD2 . 17067 1 263 . 1 1 60 60 LEU CG C 13 22.7 0.3 . 1 . . . . 60 LEU CG . 17067 1 264 . 1 1 60 60 LEU N N 15 119.7 0.3 . 1 . . . . 60 LEU N . 17067 1 265 . 1 1 61 61 GLY H H 1 7.70 0.02 . 1 . . . . 61 GLY H . 17067 1 266 . 1 1 61 61 GLY HA2 H 1 3.80 0.02 . 2 . . . . 61 GLY HA2 . 17067 1 267 . 1 1 61 61 GLY HA3 H 1 3.66 0.02 . 2 . . . . 61 GLY HA3 . 17067 1 268 . 1 1 61 61 GLY C C 13 172.7 0.3 . 1 . . . . 61 GLY C . 17067 1 269 . 1 1 61 61 GLY CA C 13 44.6 0.3 . 1 . . . . 61 GLY CA . 17067 1 270 . 1 1 61 61 GLY N N 15 106.5 0.3 . 1 . . . . 61 GLY N . 17067 1 271 . 1 1 62 62 GLY H H 1 8.59 0.02 . 1 . . . . 62 GLY H . 17067 1 272 . 1 1 62 62 GLY HA2 H 1 3.79 0.02 . 2 . . . . 62 GLY HA2 . 17067 1 273 . 1 1 62 62 GLY HA3 H 1 3.67 0.02 . 2 . . . . 62 GLY HA3 . 17067 1 274 . 1 1 62 62 GLY C C 13 174.0 0.3 . 1 . . . . 62 GLY C . 17067 1 275 . 1 1 62 62 GLY CA C 13 42.7 0.3 . 1 . . . . 62 GLY CA . 17067 1 276 . 1 1 62 62 GLY N N 15 108.9 0.3 . 1 . . . . 62 GLY N . 17067 1 277 . 1 1 63 63 MET H H 1 7.58 0.02 . 1 . . . . 63 MET H . 17067 1 278 . 1 1 63 63 MET HA H 1 3.86 0.02 . 1 . . . . 63 MET HA . 17067 1 279 . 1 1 63 63 MET HB2 H 1 2.05 0.02 . 2 . . . . 63 MET QB . 17067 1 280 . 1 1 63 63 MET HB3 H 1 2.05 0.02 . 2 . . . . 63 MET QB . 17067 1 281 . 1 1 63 63 MET HG2 H 1 2.32 0.02 . 2 . . . . 63 MET QG . 17067 1 282 . 1 1 63 63 MET HG3 H 1 2.32 0.02 . 2 . . . . 63 MET QG . 17067 1 283 . 1 1 63 63 MET C C 13 174.0 0.3 . 1 . . . . 63 MET C . 17067 1 284 . 1 1 63 63 MET CA C 13 54.6 0.3 . 1 . . . . 63 MET CA . 17067 1 285 . 1 1 63 63 MET CB C 13 30.2 0.3 . 1 . . . . 63 MET CB . 17067 1 286 . 1 1 63 63 MET CG C 13 30.8 0.3 . 1 . . . . 63 MET CG . 17067 1 287 . 1 1 63 63 MET N N 15 118.3 0.3 . 1 . . . . 63 MET N . 17067 1 288 . 1 1 64 64 ALA H H 1 7.93 0.02 . 1 . . . . 64 ALA H . 17067 1 289 . 1 1 64 64 ALA HA H 1 4.18 0.02 . 1 . . . . 64 ALA HA . 17067 1 290 . 1 1 64 64 ALA C C 13 173.6 0.3 . 1 . . . . 64 ALA C . 17067 1 291 . 1 1 64 64 ALA CA C 13 49.8 0.3 . 1 . . . . 64 ALA CA . 17067 1 292 . 1 1 64 64 ALA CB C 13 16.4 0.3 . 1 . . . . 64 ALA CB . 17067 1 293 . 1 1 64 64 ALA N N 15 116.9 0.3 . 1 . . . . 64 ALA N . 17067 1 294 . 1 1 65 65 SER H H 1 7.46 0.02 . 1 . . . . 65 SER H . 17067 1 295 . 1 1 65 65 SER HA H 1 4.56 0.02 . 1 . . . . 65 SER HA . 17067 1 296 . 1 1 65 65 SER HB2 H 1 3.71 0.02 . 2 . . . . 65 SER HB2 . 17067 1 297 . 1 1 65 65 SER HB3 H 1 3.74 0.02 . 2 . . . . 65 SER HB3 . 17067 1 298 . 1 1 65 65 SER C C 13 171.4 0.3 . 1 . . . . 65 SER C . 17067 1 299 . 1 1 65 65 SER CA C 13 54.6 0.3 . 1 . . . . 65 SER CA . 17067 1 300 . 1 1 65 65 SER CB C 13 61.8 0.3 . 1 . . . . 65 SER CB . 17067 1 301 . 1 1 65 65 SER N N 15 111.9 0.3 . 1 . . . . 65 SER N . 17067 1 302 . 1 1 66 66 GLY H H 1 7.68 0.02 . 1 . . . . 66 GLY H . 17067 1 303 . 1 1 66 66 GLY HA2 H 1 3.96 0.02 . 2 . . . . 66 GLY HA2 . 17067 1 304 . 1 1 66 66 GLY HA3 H 1 3.79 0.02 . 2 . . . . 66 GLY HA3 . 17067 1 305 . 1 1 66 66 GLY C C 13 170.8 0.3 . 1 . . . . 66 GLY C . 17067 1 306 . 1 1 66 66 GLY CA C 13 42.0 0.3 . 1 . . . . 66 GLY CA . 17067 1 307 . 1 1 66 66 GLY N N 15 108.6 0.3 . 1 . . . . 66 GLY N . 17067 1 308 . 1 1 67 67 PRO HA H 1 4.18 0.02 . 1 . . . . 67 PRO HA . 17067 1 309 . 1 1 67 67 PRO HB2 H 1 1.77 0.02 . 2 . . . . 67 PRO HB2 . 17067 1 310 . 1 1 67 67 PRO HB3 H 1 1.28 0.02 . 2 . . . . 67 PRO HB3 . 17067 1 311 . 1 1 67 67 PRO HD2 H 1 3.38 0.02 . 2 . . . . 67 PRO HD2 . 17067 1 312 . 1 1 67 67 PRO HD3 H 1 3.24 0.02 . 2 . . . . 67 PRO HD3 . 17067 1 313 . 1 1 67 67 PRO CA C 13 62.2 0.3 . 1 . . . . 67 PRO CA . 17067 1 314 . 1 1 67 67 PRO CB C 13 28.6 0.3 . 1 . . . . 67 PRO CB . 17067 1 315 . 1 1 67 67 PRO CD C 13 46.6 0.3 . 1 . . . . 67 PRO CD . 17067 1 316 . 1 1 67 67 PRO CG C 13 23.5 0.3 . 1 . . . . 67 PRO CG . 17067 1 317 . 1 1 68 68 CYS H H 1 7.71 0.02 . 1 . . . . 68 CYS H . 17067 1 318 . 1 1 68 68 CYS HA H 1 5.42 0.02 . 1 . . . . 68 CYS HA . 17067 1 319 . 1 1 68 68 CYS HB2 H 1 3.17 0.02 . 2 . . . . 68 CYS HB2 . 17067 1 320 . 1 1 68 68 CYS HB3 H 1 2.16 0.02 . 2 . . . . 68 CYS HB3 . 17067 1 321 . 1 1 68 68 CYS C C 13 173.5 0.3 . 1 . . . . 68 CYS C . 17067 1 322 . 1 1 68 68 CYS CA C 13 49.5 0.3 . 1 . . . . 68 CYS CA . 17067 1 323 . 1 1 68 68 CYS CB C 13 36.1 0.3 . 1 . . . . 68 CYS CB . 17067 1 324 . 1 1 68 68 CYS N N 15 114.5 0.3 . 1 . . . . 68 CYS N . 17067 1 325 . 1 1 69 69 GLY H H 1 7.85 0.02 . 1 . . . . 69 GLY H . 17067 1 326 . 1 1 69 69 GLY HA2 H 1 3.92 0.02 . 2 . . . . 69 GLY HA2 . 17067 1 327 . 1 1 69 69 GLY HA3 H 1 3.50 0.02 . 2 . . . . 69 GLY HA3 . 17067 1 328 . 1 1 69 69 GLY C C 13 173.3 0.3 . 1 . . . . 69 GLY C . 17067 1 329 . 1 1 69 69 GLY CA C 13 45.3 0.3 . 1 . . . . 69 GLY CA . 17067 1 330 . 1 1 69 69 GLY N N 15 110.2 0.3 . 1 . . . . 69 GLY N . 17067 1 331 . 1 1 70 70 GLU H H 1 8.65 0.02 . 1 . . . . 70 GLU H . 17067 1 332 . 1 1 70 70 GLU HA H 1 3.74 0.02 . 1 . . . . 70 GLU HA . 17067 1 333 . 1 1 70 70 GLU HB2 H 1 1.81 0.02 . 2 . . . . 70 GLU HB2 . 17067 1 334 . 1 1 70 70 GLU HB3 H 1 1.88 0.02 . 2 . . . . 70 GLU HB3 . 17067 1 335 . 1 1 70 70 GLU HG2 H 1 2.20 0.02 . 2 . . . . 70 GLU HG2 . 17067 1 336 . 1 1 70 70 GLU HG3 H 1 2.09 0.02 . 2 . . . . 70 GLU HG3 . 17067 1 337 . 1 1 70 70 GLU C C 13 176.8 0.3 . 1 . . . . 70 GLU C . 17067 1 338 . 1 1 70 70 GLU CA C 13 56.5 0.3 . 1 . . . . 70 GLU CA . 17067 1 339 . 1 1 70 70 GLU CB C 13 25.5 0.3 . 1 . . . . 70 GLU CB . 17067 1 340 . 1 1 70 70 GLU CG C 13 31.1 0.3 . 1 . . . . 70 GLU CG . 17067 1 341 . 1 1 70 70 GLU N N 15 119.8 0.3 . 1 . . . . 70 GLU N . 17067 1 342 . 1 1 71 71 GLN H H 1 8.86 0.02 . 1 . . . . 71 GLN H . 17067 1 343 . 1 1 71 71 GLN HA H 1 3.85 0.02 . 1 . . . . 71 GLN HA . 17067 1 344 . 1 1 71 71 GLN HB2 H 1 2.20 0.02 . 2 . . . . 71 GLN HB2 . 17067 1 345 . 1 1 71 71 GLN HB3 H 1 1.53 0.02 . 2 . . . . 71 GLN HB3 . 17067 1 346 . 1 1 71 71 GLN HE21 H 1 7.39 0.02 . 1 . . . . 71 GLN HE21 . 17067 1 347 . 1 1 71 71 GLN HE22 H 1 6.74 0.02 . 1 . . . . 71 GLN HE22 . 17067 1 348 . 1 1 71 71 GLN HG2 H 1 2.39 0.02 . 2 . . . . 71 GLN HG2 . 17067 1 349 . 1 1 71 71 GLN HG3 H 1 2.33 0.02 . 2 . . . . 71 GLN HG3 . 17067 1 350 . 1 1 71 71 GLN C C 13 177.6 0.3 . 1 . . . . 71 GLN C . 17067 1 351 . 1 1 71 71 GLN CA C 13 57.6 0.3 . 1 . . . . 71 GLN CA . 17067 1 352 . 1 1 71 71 GLN CB C 13 23.9 0.3 . 1 . . . . 71 GLN CB . 17067 1 353 . 1 1 71 71 GLN CG C 13 31.3 0.3 . 1 . . . . 71 GLN CG . 17067 1 354 . 1 1 71 71 GLN N N 15 120.7 0.3 . 1 . . . . 71 GLN N . 17067 1 355 . 1 1 72 72 PHE H H 1 8.92 0.02 . 1 . . . . 72 PHE H . 17067 1 356 . 1 1 72 72 PHE HA H 1 4.21 0.02 . 1 . . . . 72 PHE HA . 17067 1 357 . 1 1 72 72 PHE HB2 H 1 2.82 0.02 . 2 . . . . 72 PHE HB2 . 17067 1 358 . 1 1 72 72 PHE HB3 H 1 2.89 0.02 . 2 . . . . 72 PHE HB3 . 17067 1 359 . 1 1 72 72 PHE HZ H 1 6.80 0.02 . 1 . . . . 72 PHE HZ . 17067 1 360 . 1 1 72 72 PHE C C 13 173.6 0.3 . 1 . . . . 72 PHE C . 17067 1 361 . 1 1 72 72 PHE CA C 13 59.3 0.3 . 1 . . . . 72 PHE CA . 17067 1 362 . 1 1 72 72 PHE CB C 13 35.9 0.3 . 1 . . . . 72 PHE CB . 17067 1 363 . 1 1 72 72 PHE N N 15 123.2 0.3 . 1 . . . . 72 PHE N . 17067 1 364 . 1 1 73 73 LYS H H 1 8.51 0.02 . 1 . . . . 73 LYS H . 17067 1 365 . 1 1 73 73 LYS HA H 1 3.42 0.02 . 1 . . . . 73 LYS HA . 17067 1 366 . 1 1 73 73 LYS HB2 H 1 1.06 0.02 . 2 . . . . 73 LYS HB2 . 17067 1 367 . 1 1 73 73 LYS HB3 H 1 1.39 0.02 . 2 . . . . 73 LYS HB3 . 17067 1 368 . 1 1 73 73 LYS HD2 H 1 0.68 0.02 . 2 . . . . 73 LYS HD2 . 17067 1 369 . 1 1 73 73 LYS HD3 H 1 0.85 0.02 . 2 . . . . 73 LYS HD3 . 17067 1 370 . 1 1 73 73 LYS HG2 H 1 1.07 0.02 . 2 . . . . 73 LYS HG2 . 17067 1 371 . 1 1 73 73 LYS HG3 H 1 0.79 0.02 . 2 . . . . 73 LYS HG3 . 17067 1 372 . 1 1 73 73 LYS C C 13 177.5 0.3 . 1 . . . . 73 LYS C . 17067 1 373 . 1 1 73 73 LYS CA C 13 56.9 0.3 . 1 . . . . 73 LYS CA . 17067 1 374 . 1 1 73 73 LYS CB C 13 29.4 0.3 . 1 . . . . 73 LYS CB . 17067 1 375 . 1 1 73 73 LYS CD C 13 26.7 0.3 . 1 . . . . 73 LYS CD . 17067 1 376 . 1 1 73 73 LYS CE C 13 38.5 0.3 . 1 . . . . 73 LYS CE . 17067 1 377 . 1 1 73 73 LYS CG C 13 22.1 0.3 . 1 . . . . 73 LYS CG . 17067 1 378 . 1 1 73 73 LYS N N 15 119.7 0.3 . 1 . . . . 73 LYS N . 17067 1 379 . 1 1 74 74 SER H H 1 7.86 0.02 . 1 . . . . 74 SER H . 17067 1 380 . 1 1 74 74 SER HA H 1 4.13 0.02 . 1 . . . . 74 SER HA . 17067 1 381 . 1 1 74 74 SER HB2 H 1 3.76 0.02 . 2 . . . . 74 SER HB2 . 17067 1 382 . 1 1 74 74 SER HB3 H 1 3.81 0.02 . 2 . . . . 74 SER HB3 . 17067 1 383 . 1 1 74 74 SER C C 13 174.2 0.3 . 1 . . . . 74 SER C . 17067 1 384 . 1 1 74 74 SER CA C 13 58.9 0.3 . 1 . . . . 74 SER CA . 17067 1 385 . 1 1 74 74 SER CB C 13 60.2 0.3 . 1 . . . . 74 SER CB . 17067 1 386 . 1 1 74 74 SER N N 15 113.7 0.3 . 1 . . . . 74 SER N . 17067 1 387 . 1 1 75 75 ALA H H 1 7.89 0.02 . 1 . . . . 75 ALA H . 17067 1 388 . 1 1 75 75 ALA HA H 1 3.80 0.02 . 1 . . . . 75 ALA HA . 17067 1 389 . 1 1 75 75 ALA C C 13 175.1 0.3 . 1 . . . . 75 ALA C . 17067 1 390 . 1 1 75 75 ALA CA C 13 52.9 0.3 . 1 . . . . 75 ALA CA . 17067 1 391 . 1 1 75 75 ALA CB C 13 17.4 0.3 . 1 . . . . 75 ALA CB . 17067 1 392 . 1 1 75 75 ALA N N 15 122.7 0.3 . 1 . . . . 75 ALA N . 17067 1 393 . 1 1 76 76 PHE H H 1 9.45 0.02 . 1 . . . . 76 PHE H . 17067 1 394 . 1 1 76 76 PHE HA H 1 3.71 0.02 . 1 . . . . 76 PHE HA . 17067 1 395 . 1 1 76 76 PHE HB2 H 1 2.49 0.02 . 2 . . . . 76 PHE HB2 . 17067 1 396 . 1 1 76 76 PHE HB3 H 1 2.01 0.02 . 2 . . . . 76 PHE HB3 . 17067 1 397 . 1 1 76 76 PHE HD1 H 1 6.86 0.02 . 3 . . . . 76 PHE QD . 17067 1 398 . 1 1 76 76 PHE HD2 H 1 6.86 0.02 . 3 . . . . 76 PHE QD . 17067 1 399 . 1 1 76 76 PHE C C 13 174.5 0.3 . 1 . . . . 76 PHE C . 17067 1 400 . 1 1 76 76 PHE CA C 13 59.3 0.3 . 1 . . . . 76 PHE CA . 17067 1 401 . 1 1 76 76 PHE CB C 13 36.1 0.3 . 1 . . . . 76 PHE CB . 17067 1 402 . 1 1 76 76 PHE N N 15 119.9 0.3 . 1 . . . . 76 PHE N . 17067 1 403 . 1 1 77 77 SER H H 1 8.50 0.02 . 1 . . . . 77 SER H . 17067 1 404 . 1 1 77 77 SER HA H 1 4.12 0.02 . 1 . . . . 77 SER HA . 17067 1 405 . 1 1 77 77 SER C C 13 172.2 0.3 . 1 . . . . 77 SER C . 17067 1 406 . 1 1 77 77 SER CA C 13 60.0 0.3 . 1 . . . . 77 SER CA . 17067 1 407 . 1 1 77 77 SER CB C 13 60.3 0.3 . 1 . . . . 77 SER CB . 17067 1 408 . 1 1 77 77 SER N N 15 112.7 0.3 . 1 . . . . 77 SER N . 17067 1 409 . 1 1 78 78 CYS H H 1 7.48 0.02 . 1 . . . . 78 CYS H . 17067 1 410 . 1 1 78 78 CYS HA H 1 4.02 0.02 . 1 . . . . 78 CYS HA . 17067 1 411 . 1 1 78 78 CYS HB2 H 1 3.12 0.02 . 2 . . . . 78 CYS HB2 . 17067 1 412 . 1 1 78 78 CYS HB3 H 1 2.95 0.02 . 2 . . . . 78 CYS HB3 . 17067 1 413 . 1 1 78 78 CYS C C 13 174.0 0.3 . 1 . . . . 78 CYS C . 17067 1 414 . 1 1 78 78 CYS CA C 13 58.2 0.3 . 1 . . . . 78 CYS CA . 17067 1 415 . 1 1 78 78 CYS CB C 13 36.4 0.3 . 1 . . . . 78 CYS CB . 17067 1 416 . 1 1 78 78 CYS N N 15 119.0 0.3 . 1 . . . . 78 CYS N . 17067 1 417 . 1 1 79 79 PHE H H 1 8.27 0.02 . 1 . . . . 79 PHE H . 17067 1 418 . 1 1 79 79 PHE HA H 1 3.73 0.02 . 1 . . . . 79 PHE HA . 17067 1 419 . 1 1 79 79 PHE HB2 H 1 3.16 0.02 . 2 . . . . 79 PHE HB2 . 17067 1 420 . 1 1 79 79 PHE HB3 H 1 2.99 0.02 . 2 . . . . 79 PHE HB3 . 17067 1 421 . 1 1 79 79 PHE C C 13 173.6 0.3 . 1 . . . . 79 PHE C . 17067 1 422 . 1 1 79 79 PHE CA C 13 60.2 0.3 . 1 . . . . 79 PHE CA . 17067 1 423 . 1 1 79 79 PHE CB C 13 36.9 0.3 . 1 . . . . 79 PHE CB . 17067 1 424 . 1 1 79 79 PHE N N 15 120.4 0.3 . 1 . . . . 79 PHE N . 17067 1 425 . 1 1 80 80 HIS H H 1 8.83 0.02 . 1 . . . . 80 HIS H . 17067 1 426 . 1 1 80 80 HIS HA H 1 3.50 0.02 . 1 . . . . 80 HIS HA . 17067 1 427 . 1 1 80 80 HIS HB2 H 1 2.24 0.02 . 2 . . . . 80 HIS HB2 . 17067 1 428 . 1 1 80 80 HIS HB3 H 1 2.21 0.02 . 2 . . . . 80 HIS HB3 . 17067 1 429 . 1 1 80 80 HIS C C 13 175.6 0.3 . 1 . . . . 80 HIS C . 17067 1 430 . 1 1 80 80 HIS CA C 13 57.2 0.3 . 1 . . . . 80 HIS CA . 17067 1 431 . 1 1 80 80 HIS CB C 13 28.0 0.3 . 1 . . . . 80 HIS CB . 17067 1 432 . 1 1 80 80 HIS N N 15 118.2 0.3 . 1 . . . . 80 HIS N . 17067 1 433 . 1 1 81 81 TYR H H 1 7.78 0.02 . 1 . . . . 81 TYR H . 17067 1 434 . 1 1 81 81 TYR HA H 1 4.05 0.02 . 1 . . . . 81 TYR HA . 17067 1 435 . 1 1 81 81 TYR HB2 H 1 3.10 0.02 . 2 . . . . 81 TYR HB2 . 17067 1 436 . 1 1 81 81 TYR HB3 H 1 2.56 0.02 . 2 . . . . 81 TYR HB3 . 17067 1 437 . 1 1 81 81 TYR C C 13 172.4 0.3 . 1 . . . . 81 TYR C . 17067 1 438 . 1 1 81 81 TYR CA C 13 56.1 0.3 . 1 . . . . 81 TYR CA . 17067 1 439 . 1 1 81 81 TYR CB C 13 34.8 0.3 . 1 . . . . 81 TYR CB . 17067 1 440 . 1 1 81 81 TYR N N 15 113.7 0.3 . 1 . . . . 81 TYR N . 17067 1 441 . 1 1 82 82 SER H H 1 7.06 0.02 . 1 . . . . 82 SER H . 17067 1 442 . 1 1 82 82 SER HA H 1 4.44 0.02 . 1 . . . . 82 SER HA . 17067 1 443 . 1 1 82 82 SER HB2 H 1 3.62 0.02 . 2 . . . . 82 SER HB2 . 17067 1 444 . 1 1 82 82 SER HB3 H 1 3.69 0.02 . 2 . . . . 82 SER HB3 . 17067 1 445 . 1 1 82 82 SER C C 13 174.5 0.3 . 1 . . . . 82 SER C . 17067 1 446 . 1 1 82 82 SER CA C 13 56.5 0.3 . 1 . . . . 82 SER CA . 17067 1 447 . 1 1 82 82 SER CB C 13 59.3 0.3 . 1 . . . . 82 SER CB . 17067 1 448 . 1 1 82 82 SER N N 15 115.5 0.3 . 1 . . . . 82 SER N . 17067 1 449 . 1 1 83 83 THR H H 1 9.30 0.02 . 1 . . . . 83 THR H . 17067 1 450 . 1 1 83 83 THR HA H 1 4.37 0.02 . 1 . . . . 83 THR HA . 17067 1 451 . 1 1 83 83 THR HB H 1 4.43 0.02 . 1 . . . . 83 THR HB . 17067 1 452 . 1 1 83 83 THR C C 13 172.1 0.3 . 1 . . . . 83 THR C . 17067 1 453 . 1 1 83 83 THR CA C 13 57.8 0.3 . 1 . . . . 83 THR CA . 17067 1 454 . 1 1 83 83 THR CB C 13 65.8 0.3 . 1 . . . . 83 THR CB . 17067 1 455 . 1 1 83 83 THR CG2 C 13 18.4 0.3 . 1 . . . . 83 THR CG2 . 17067 1 456 . 1 1 83 83 THR N N 15 120.3 0.3 . 1 . . . . 83 THR N . 17067 1 457 . 1 1 84 84 GLU H H 1 7.16 0.02 . 1 . . . . 84 GLU H . 17067 1 458 . 1 1 84 84 GLU HA H 1 3.86 0.02 . 1 . . . . 84 GLU HA . 17067 1 459 . 1 1 84 84 GLU HB2 H 1 2.08 0.02 . 2 . . . . 84 GLU HB2 . 17067 1 460 . 1 1 84 84 GLU HB3 H 1 2.15 0.02 . 2 . . . . 84 GLU HB3 . 17067 1 461 . 1 1 84 84 GLU C C 13 173.5 0.3 . 1 . . . . 84 GLU C . 17067 1 462 . 1 1 84 84 GLU CA C 13 53.2 0.3 . 1 . . . . 84 GLU CA . 17067 1 463 . 1 1 84 84 GLU CB C 13 28.3 0.3 . 1 . . . . 84 GLU CB . 17067 1 464 . 1 1 84 84 GLU CG C 13 33.5 0.3 . 1 . . . . 84 GLU CG . 17067 1 465 . 1 1 84 84 GLU N N 15 121.5 0.3 . 1 . . . . 84 GLU N . 17067 1 466 . 1 1 85 85 GLU H H 1 8.38 0.02 . 1 . . . . 85 GLU H . 17067 1 467 . 1 1 85 85 GLU HA H 1 3.71 0.02 . 1 . . . . 85 GLU HA . 17067 1 468 . 1 1 85 85 GLU HB2 H 1 1.89 0.02 . 2 . . . . 85 GLU HB2 . 17067 1 469 . 1 1 85 85 GLU HB3 H 1 1.80 0.02 . 2 . . . . 85 GLU HB3 . 17067 1 470 . 1 1 85 85 GLU C C 13 175.7 0.3 . 1 . . . . 85 GLU C . 17067 1 471 . 1 1 85 85 GLU CA C 13 57.0 0.3 . 1 . . . . 85 GLU CA . 17067 1 472 . 1 1 85 85 GLU CB C 13 26.6 0.3 . 1 . . . . 85 GLU CB . 17067 1 473 . 1 1 85 85 GLU CG C 13 29.4 0.3 . 1 . . . . 85 GLU CG . 17067 1 474 . 1 1 85 85 GLU N N 15 121.7 0.3 . 1 . . . . 85 GLU N . 17067 1 475 . 1 1 86 86 ILE H H 1 8.08 0.02 . 1 . . . . 86 ILE H . 17067 1 476 . 1 1 86 86 ILE HA H 1 4.03 0.02 . 1 . . . . 86 ILE HA . 17067 1 477 . 1 1 86 86 ILE HB H 1 1.72 0.02 . 1 . . . . 86 ILE HB . 17067 1 478 . 1 1 86 86 ILE HG12 H 1 1.37 0.02 . 2 . . . . 86 ILE HG12 . 17067 1 479 . 1 1 86 86 ILE HG13 H 1 1.04 0.02 . 2 . . . . 86 ILE HG13 . 17067 1 480 . 1 1 86 86 ILE C C 13 172.3 0.3 . 1 . . . . 86 ILE C . 17067 1 481 . 1 1 86 86 ILE CA C 13 57.2 0.3 . 1 . . . . 86 ILE CA . 17067 1 482 . 1 1 86 86 ILE CB C 13 32.7 0.3 . 1 . . . . 86 ILE CB . 17067 1 483 . 1 1 86 86 ILE CD1 C 13 9.3 0.3 . 1 . . . . 86 ILE CD1 . 17067 1 484 . 1 1 86 86 ILE CG1 C 13 24.0 0.3 . 1 . . . . 86 ILE CG1 . 17067 1 485 . 1 1 86 86 ILE CG2 C 13 14.6 0.3 . 1 . . . . 86 ILE CG2 . 17067 1 486 . 1 1 86 86 ILE N N 15 117.8 0.3 . 1 . . . . 86 ILE N . 17067 1 487 . 1 1 87 87 LYS H H 1 8.25 0.02 . 1 . . . . 87 LYS H . 17067 1 488 . 1 1 87 87 LYS HA H 1 3.49 0.02 . 1 . . . . 87 LYS HA . 17067 1 489 . 1 1 87 87 LYS C C 13 175.2 0.3 . 1 . . . . 87 LYS C . 17067 1 490 . 1 1 87 87 LYS CA C 13 57.3 0.3 . 1 . . . . 87 LYS CA . 17067 1 491 . 1 1 87 87 LYS CB C 13 30.0 0.3 . 1 . . . . 87 LYS CB . 17067 1 492 . 1 1 87 87 LYS CD C 13 26.4 0.3 . 1 . . . . 87 LYS CD . 17067 1 493 . 1 1 87 87 LYS CE C 13 38.5 0.3 . 1 . . . . 87 LYS CE . 17067 1 494 . 1 1 87 87 LYS CG C 13 21.9 0.3 . 1 . . . . 87 LYS CG . 17067 1 495 . 1 1 87 87 LYS N N 15 130.5 0.3 . 1 . . . . 87 LYS N . 17067 1 496 . 1 1 88 88 GLY H H 1 8.83 0.02 . 1 . . . . 88 GLY H . 17067 1 497 . 1 1 88 88 GLY HA2 H 1 4.43 0.02 . 2 . . . . 88 GLY HA2 . 17067 1 498 . 1 1 88 88 GLY HA3 H 1 3.47 0.02 . 2 . . . . 88 GLY HA3 . 17067 1 499 . 1 1 88 88 GLY C C 13 171.9 0.3 . 1 . . . . 88 GLY C . 17067 1 500 . 1 1 88 88 GLY CA C 13 42.4 0.3 . 1 . . . . 88 GLY CA . 17067 1 501 . 1 1 88 88 GLY N N 15 110.5 0.3 . 1 . . . . 88 GLY N . 17067 1 502 . 1 1 89 89 SER H H 1 8.57 0.02 . 1 . . . . 89 SER H . 17067 1 503 . 1 1 89 89 SER HA H 1 3.97 0.02 . 1 . . . . 89 SER HA . 17067 1 504 . 1 1 89 89 SER HB2 H 1 3.84 0.02 . 2 . . . . 89 SER HB2 . 17067 1 505 . 1 1 89 89 SER HB3 H 1 3.95 0.02 . 2 . . . . 89 SER HB3 . 17067 1 506 . 1 1 89 89 SER C C 13 171.1 0.3 . 1 . . . . 89 SER C . 17067 1 507 . 1 1 89 89 SER CA C 13 58.8 0.3 . 1 . . . . 89 SER CA . 17067 1 508 . 1 1 89 89 SER CB C 13 59.3 0.3 . 1 . . . . 89 SER CB . 17067 1 509 . 1 1 89 89 SER N N 15 116.1 0.3 . 1 . . . . 89 SER N . 17067 1 510 . 1 1 90 90 ASP H H 1 10.44 0.02 . 1 . . . . 90 ASP H . 17067 1 511 . 1 1 90 90 ASP HA H 1 4.53 0.02 . 1 . . . . 90 ASP HA . 17067 1 512 . 1 1 90 90 ASP HB2 H 1 2.44 0.02 . 2 . . . . 90 ASP HB2 . 17067 1 513 . 1 1 90 90 ASP HB3 H 1 2.83 0.02 . 2 . . . . 90 ASP HB3 . 17067 1 514 . 1 1 90 90 ASP C C 13 173.5 0.3 . 1 . . . . 90 ASP C . 17067 1 515 . 1 1 90 90 ASP CA C 13 50.5 0.3 . 1 . . . . 90 ASP CA . 17067 1 516 . 1 1 90 90 ASP CB C 13 34.8 0.3 . 1 . . . . 90 ASP CB . 17067 1 517 . 1 1 90 90 ASP N N 15 116.1 0.3 . 1 . . . . 90 ASP N . 17067 1 518 . 1 1 91 91 CYS H H 1 7.41 0.02 . 1 . . . . 91 CYS H . 17067 1 519 . 1 1 91 91 CYS HA H 1 5.17 0.02 . 1 . . . . 91 CYS HA . 17067 1 520 . 1 1 91 91 CYS HB2 H 1 2.42 0.02 . 2 . . . . 91 CYS HB2 . 17067 1 521 . 1 1 91 91 CYS HB3 H 1 2.84 0.02 . 2 . . . . 91 CYS HB3 . 17067 1 522 . 1 1 91 91 CYS C C 13 172.4 0.3 . 1 . . . . 91 CYS C . 17067 1 523 . 1 1 91 91 CYS CA C 13 50.7 0.3 . 1 . . . . 91 CYS CA . 17067 1 524 . 1 1 91 91 CYS CB C 13 38.2 0.3 . 1 . . . . 91 CYS CB . 17067 1 525 . 1 1 91 91 CYS N N 15 117.1 0.3 . 1 . . . . 91 CYS N . 17067 1 526 . 1 1 92 92 VAL H H 1 7.26 0.02 . 1 . . . . 92 VAL H . 17067 1 527 . 1 1 92 92 VAL HA H 1 3.30 0.02 . 1 . . . . 92 VAL HA . 17067 1 528 . 1 1 92 92 VAL HB H 1 1.97 0.02 . 1 . . . . 92 VAL HB . 17067 1 529 . 1 1 92 92 VAL C C 13 175.8 0.3 . 1 . . . . 92 VAL C . 17067 1 530 . 1 1 92 92 VAL CA C 13 64.4 0.3 . 1 . . . . 92 VAL CA . 17067 1 531 . 1 1 92 92 VAL CB C 13 28.9 0.3 . 1 . . . . 92 VAL CB . 17067 1 532 . 1 1 92 92 VAL CG1 C 13 19.2 0.3 . 1 . . . . 92 VAL CG1 . 17067 1 533 . 1 1 92 92 VAL CG2 C 13 18.2 0.3 . 1 . . . . 92 VAL CG2 . 17067 1 534 . 1 1 92 92 VAL N N 15 119.6 0.3 . 1 . . . . 92 VAL N . 17067 1 535 . 1 1 93 93 ASP H H 1 8.89 0.02 . 1 . . . . 93 ASP H . 17067 1 536 . 1 1 93 93 ASP HA H 1 4.23 0.02 . 1 . . . . 93 ASP HA . 17067 1 537 . 1 1 93 93 ASP C C 13 176.5 0.3 . 1 . . . . 93 ASP C . 17067 1 538 . 1 1 93 93 ASP CA C 13 55.1 0.3 . 1 . . . . 93 ASP CA . 17067 1 539 . 1 1 93 93 ASP CB C 13 36.8 0.3 . 1 . . . . 93 ASP CB . 17067 1 540 . 1 1 93 93 ASP N N 15 120.6 0.3 . 1 . . . . 93 ASP N . 17067 1 541 . 1 1 94 94 GLN H H 1 9.00 0.02 . 1 . . . . 94 GLN H . 17067 1 542 . 1 1 94 94 GLN HA H 1 3.89 0.02 . 1 . . . . 94 GLN HA . 17067 1 543 . 1 1 94 94 GLN HB2 H 1 2.03 0.02 . 2 . . . . 94 GLN HB2 . 17067 1 544 . 1 1 94 94 GLN HB3 H 1 1.97 0.02 . 2 . . . . 94 GLN HB3 . 17067 1 545 . 1 1 94 94 GLN HE21 H 1 7.40 0.02 . 1 . . . . 94 GLN HE21 . 17067 1 546 . 1 1 94 94 GLN HE22 H 1 7.01 0.02 . 1 . . . . 94 GLN HE22 . 17067 1 547 . 1 1 94 94 GLN HG2 H 1 2.47 0.02 . 2 . . . . 94 GLN HG2 . 17067 1 548 . 1 1 94 94 GLN HG3 H 1 2.40 0.02 . 2 . . . . 94 GLN HG3 . 17067 1 549 . 1 1 94 94 GLN C C 13 177.9 0.3 . 1 . . . . 94 GLN C . 17067 1 550 . 1 1 94 94 GLN CA C 13 57.3 0.3 . 1 . . . . 94 GLN CA . 17067 1 551 . 1 1 94 94 GLN CB C 13 24.2 0.3 . 1 . . . . 94 GLN CB . 17067 1 552 . 1 1 94 94 GLN CG C 13 31.8 0.3 . 1 . . . . 94 GLN CG . 17067 1 553 . 1 1 94 94 GLN N N 15 121.6 0.3 . 1 . . . . 94 GLN N . 17067 1 554 . 1 1 95 95 PHE H H 1 9.03 0.02 . 1 . . . . 95 PHE H . 17067 1 555 . 1 1 95 95 PHE HA H 1 4.14 0.02 . 1 . . . . 95 PHE HA . 17067 1 556 . 1 1 95 95 PHE HB2 H 1 3.10 0.02 . 2 . . . . 95 PHE HB2 . 17067 1 557 . 1 1 95 95 PHE HB3 H 1 3.12 0.02 . 2 . . . . 95 PHE HB3 . 17067 1 558 . 1 1 95 95 PHE HD1 H 1 6.10 0.02 . 3 . . . . 95 PHE QD . 17067 1 559 . 1 1 95 95 PHE HD2 H 1 6.10 0.02 . 3 . . . . 95 PHE QD . 17067 1 560 . 1 1 95 95 PHE HE1 H 1 7.16 0.02 . 3 . . . . 95 PHE QE . 17067 1 561 . 1 1 95 95 PHE HE2 H 1 7.16 0.02 . 3 . . . . 95 PHE QE . 17067 1 562 . 1 1 95 95 PHE C C 13 175.2 0.3 . 1 . . . . 95 PHE C . 17067 1 563 . 1 1 95 95 PHE CA C 13 55.0 0.3 . 1 . . . . 95 PHE CA . 17067 1 564 . 1 1 95 95 PHE CB C 13 34.7 0.3 . 1 . . . . 95 PHE CB . 17067 1 565 . 1 1 95 95 PHE N N 15 123.0 0.3 . 1 . . . . 95 PHE N . 17067 1 566 . 1 1 96 96 ARG H H 1 8.48 0.02 . 1 . . . . 96 ARG H . 17067 1 567 . 1 1 96 96 ARG HA H 1 4.03 0.02 . 1 . . . . 96 ARG HA . 17067 1 568 . 1 1 96 96 ARG HD2 H 1 3.14 0.02 . 2 . . . . 96 ARG HD2 . 17067 1 569 . 1 1 96 96 ARG HD3 H 1 3.16 0.02 . 2 . . . . 96 ARG HD3 . 17067 1 570 . 1 1 96 96 ARG HG2 H 1 1.51 0.02 . 2 . . . . 96 ARG HG2 . 17067 1 571 . 1 1 96 96 ARG HG3 H 1 1.69 0.02 . 2 . . . . 96 ARG HG3 . 17067 1 572 . 1 1 96 96 ARG C C 13 175.7 0.3 . 1 . . . . 96 ARG C . 17067 1 573 . 1 1 96 96 ARG CA C 13 57.2 0.3 . 1 . . . . 96 ARG CA . 17067 1 574 . 1 1 96 96 ARG CB C 13 26.6 0.3 . 1 . . . . 96 ARG CB . 17067 1 575 . 1 1 96 96 ARG CD C 13 40.5 0.3 . 1 . . . . 96 ARG CD . 17067 1 576 . 1 1 96 96 ARG CG C 13 24.3 0.3 . 1 . . . . 96 ARG CG . 17067 1 577 . 1 1 96 96 ARG N N 15 121.6 0.3 . 1 . . . . 96 ARG N . 17067 1 578 . 1 1 97 97 ALA H H 1 8.01 0.02 . 1 . . . . 97 ALA H . 17067 1 579 . 1 1 97 97 ALA HA H 1 4.13 0.02 . 1 . . . . 97 ALA HA . 17067 1 580 . 1 1 97 97 ALA C C 13 178.6 0.3 . 1 . . . . 97 ALA C . 17067 1 581 . 1 1 97 97 ALA CA C 13 52.1 0.3 . 1 . . . . 97 ALA CA . 17067 1 582 . 1 1 97 97 ALA CB C 13 14.8 0.3 . 1 . . . . 97 ALA CB . 17067 1 583 . 1 1 97 97 ALA N N 15 120.5 0.3 . 1 . . . . 97 ALA N . 17067 1 584 . 1 1 98 98 MET H H 1 7.63 0.02 . 1 . . . . 98 MET H . 17067 1 585 . 1 1 98 98 MET HA H 1 3.85 0.02 . 1 . . . . 98 MET HA . 17067 1 586 . 1 1 98 98 MET HB2 H 1 2.02 0.02 . 2 . . . . 98 MET HB2 . 17067 1 587 . 1 1 98 98 MET HB3 H 1 2.09 0.02 . 2 . . . . 98 MET HB3 . 17067 1 588 . 1 1 98 98 MET C C 13 173.9 0.3 . 1 . . . . 98 MET C . 17067 1 589 . 1 1 98 98 MET CA C 13 56.7 0.3 . 1 . . . . 98 MET CA . 17067 1 590 . 1 1 98 98 MET CB C 13 29.8 0.3 . 1 . . . . 98 MET CB . 17067 1 591 . 1 1 98 98 MET CE C 13 39.3 0.3 . 1 . . . . 98 MET CE . 17067 1 592 . 1 1 98 98 MET CG C 13 30.8 0.3 . 1 . . . . 98 MET CG . 17067 1 593 . 1 1 98 98 MET N N 15 118.2 0.3 . 1 . . . . 98 MET N . 17067 1 594 . 1 1 99 99 GLN H H 1 8.41 0.02 . 1 . . . . 99 GLN H . 17067 1 595 . 1 1 99 99 GLN HA H 1 3.77 0.02 . 1 . . . . 99 GLN HA . 17067 1 596 . 1 1 99 99 GLN HG2 H 1 2.18 0.02 . 2 . . . . 99 GLN HG2 . 17067 1 597 . 1 1 99 99 GLN HG3 H 1 2.09 0.02 . 2 . . . . 99 GLN HG3 . 17067 1 598 . 1 1 99 99 GLN C C 13 175.0 0.3 . 1 . . . . 99 GLN C . 17067 1 599 . 1 1 99 99 GLN CA C 13 57.2 0.3 . 1 . . . . 99 GLN CA . 17067 1 600 . 1 1 99 99 GLN CB C 13 25.6 0.3 . 1 . . . . 99 GLN CB . 17067 1 601 . 1 1 99 99 GLN CG C 13 33.1 0.3 . 1 . . . . 99 GLN CG . 17067 1 602 . 1 1 99 99 GLN N N 15 120.7 0.3 . 1 . . . . 99 GLN N . 17067 1 603 . 1 1 100 100 GLU H H 1 8.71 0.02 . 1 . . . . 100 GLU H . 17067 1 604 . 1 1 100 100 GLU HA H 1 3.78 0.02 . 1 . . . . 100 GLU HA . 17067 1 605 . 1 1 100 100 GLU HB2 H 1 1.90 0.02 . 2 . . . . 100 GLU HB2 . 17067 1 606 . 1 1 100 100 GLU HB3 H 1 1.98 0.02 . 2 . . . . 100 GLU HB3 . 17067 1 607 . 1 1 100 100 GLU HG2 H 1 2.40 0.02 . 2 . . . . 100 GLU HG2 . 17067 1 608 . 1 1 100 100 GLU HG3 H 1 2.08 0.02 . 2 . . . . 100 GLU HG3 . 17067 1 609 . 1 1 100 100 GLU C C 13 176.0 0.3 . 1 . . . . 100 GLU C . 17067 1 610 . 1 1 100 100 GLU CA C 13 56.5 0.3 . 1 . . . . 100 GLU CA . 17067 1 611 . 1 1 100 100 GLU CB C 13 26.7 0.3 . 1 . . . . 100 GLU CB . 17067 1 612 . 1 1 100 100 GLU CG C 13 34.0 0.3 . 1 . . . . 100 GLU CG . 17067 1 613 . 1 1 100 100 GLU N N 15 117.0 0.3 . 1 . . . . 100 GLU N . 17067 1 614 . 1 1 101 101 CYS H H 1 7.37 0.02 . 1 . . . . 101 CYS H . 17067 1 615 . 1 1 101 101 CYS HA H 1 4.21 0.02 . 1 . . . . 101 CYS HA . 17067 1 616 . 1 1 101 101 CYS HB2 H 1 3.00 0.02 . 2 . . . . 101 CYS HB2 . 17067 1 617 . 1 1 101 101 CYS HB3 H 1 3.10 0.02 . 2 . . . . 101 CYS HB3 . 17067 1 618 . 1 1 101 101 CYS C C 13 173.6 0.3 . 1 . . . . 101 CYS C . 17067 1 619 . 1 1 101 101 CYS CA C 13 58.2 0.3 . 1 . . . . 101 CYS CA . 17067 1 620 . 1 1 101 101 CYS CB C 13 36.2 0.3 . 1 . . . . 101 CYS CB . 17067 1 621 . 1 1 101 101 CYS N N 15 117.1 0.3 . 1 . . . . 101 CYS N . 17067 1 622 . 1 1 102 102 MET H H 1 8.30 0.02 . 1 . . . . 102 MET H . 17067 1 623 . 1 1 102 102 MET HA H 1 3.82 0.02 . 1 . . . . 102 MET HA . 17067 1 624 . 1 1 102 102 MET HB2 H 1 1.79 0.02 . 2 . . . . 102 MET HB2 . 17067 1 625 . 1 1 102 102 MET HB3 H 1 1.83 0.02 . 2 . . . . 102 MET HB3 . 17067 1 626 . 1 1 102 102 MET C C 13 177.3 0.3 . 1 . . . . 102 MET C . 17067 1 627 . 1 1 102 102 MET CA C 13 57.3 0.3 . 1 . . . . 102 MET CA . 17067 1 628 . 1 1 102 102 MET CB C 13 29.7 0.3 . 1 . . . . 102 MET CB . 17067 1 629 . 1 1 102 102 MET CE C 13 47.9 0.3 . 1 . . . . 102 MET CE . 17067 1 630 . 1 1 102 102 MET CG C 13 29.1 0.3 . 1 . . . . 102 MET CG . 17067 1 631 . 1 1 102 102 MET N N 15 118.8 0.3 . 1 . . . . 102 MET N . 17067 1 632 . 1 1 103 103 GLN H H 1 7.98 0.02 . 1 . . . . 103 GLN H . 17067 1 633 . 1 1 103 103 GLN HA H 1 3.88 0.02 . 1 . . . . 103 GLN HA . 17067 1 634 . 1 1 103 103 GLN HB2 H 1 1.96 0.02 . 2 . . . . 103 GLN HB2 . 17067 1 635 . 1 1 103 103 GLN HB3 H 1 2.05 0.02 . 2 . . . . 103 GLN HB3 . 17067 1 636 . 1 1 103 103 GLN HE21 H 1 7.39 0.02 . 1 . . . . 103 GLN HE21 . 17067 1 637 . 1 1 103 103 GLN HE22 H 1 6.74 0.02 . 1 . . . . 103 GLN HE22 . 17067 1 638 . 1 1 103 103 GLN HG2 H 1 2.50 0.02 . 2 . . . . 103 GLN HG2 . 17067 1 639 . 1 1 103 103 GLN HG3 H 1 2.40 0.02 . 2 . . . . 103 GLN HG3 . 17067 1 640 . 1 1 103 103 GLN C C 13 174.1 0.3 . 1 . . . . 103 GLN C . 17067 1 641 . 1 1 103 103 GLN CA C 13 55.2 0.3 . 1 . . . . 103 GLN CA . 17067 1 642 . 1 1 103 103 GLN CB C 13 25.6 0.3 . 1 . . . . 103 GLN CB . 17067 1 643 . 1 1 103 103 GLN CG C 13 31.5 0.3 . 1 . . . . 103 GLN CG . 17067 1 644 . 1 1 103 103 GLN N N 15 117.2 0.3 . 1 . . . . 103 GLN N . 17067 1 645 . 1 1 104 104 LYS H H 1 7.49 0.02 . 1 . . . . 104 LYS H . 17067 1 646 . 1 1 104 104 LYS HA H 1 3.87 0.02 . 1 . . . . 104 LYS HA . 17067 1 647 . 1 1 104 104 LYS HB2 H 1 1.69 0.02 . 2 . . . . 104 LYS HB2 . 17067 1 648 . 1 1 104 104 LYS HB3 H 1 1.32 0.02 . 2 . . . . 104 LYS HB3 . 17067 1 649 . 1 1 104 104 LYS HG2 H 1 1.08 0.02 . 2 . . . . 104 LYS HG2 . 17067 1 650 . 1 1 104 104 LYS HG3 H 1 1.48 0.02 . 2 . . . . 104 LYS HG3 . 17067 1 651 . 1 1 104 104 LYS C C 13 173.2 0.3 . 1 . . . . 104 LYS C . 17067 1 652 . 1 1 104 104 LYS CA C 13 54.6 0.3 . 1 . . . . 104 LYS CA . 17067 1 653 . 1 1 104 104 LYS CB C 13 29.4 0.3 . 1 . . . . 104 LYS CB . 17067 1 654 . 1 1 104 104 LYS CD C 13 26.1 0.3 . 1 . . . . 104 LYS CD . 17067 1 655 . 1 1 104 104 LYS CE C 13 39.3 0.3 . 1 . . . . 104 LYS CE . 17067 1 656 . 1 1 104 104 LYS CG C 13 22.7 0.3 . 1 . . . . 104 LYS CG . 17067 1 657 . 1 1 104 104 LYS N N 15 116.9 0.3 . 1 . . . . 104 LYS N . 17067 1 658 . 1 1 105 105 TYR H H 1 7.35 0.02 . 1 . . . . 105 TYR H . 17067 1 659 . 1 1 105 105 TYR HA H 1 5.03 0.02 . 1 . . . . 105 TYR HA . 17067 1 660 . 1 1 105 105 TYR HB2 H 1 2.98 0.02 . 2 . . . . 105 TYR HB2 . 17067 1 661 . 1 1 105 105 TYR HB3 H 1 3.02 0.02 . 2 . . . . 105 TYR HB3 . 17067 1 662 . 1 1 105 105 TYR C C 13 170.8 0.3 . 1 . . . . 105 TYR C . 17067 1 663 . 1 1 105 105 TYR CA C 13 52.3 0.3 . 1 . . . . 105 TYR CA . 17067 1 664 . 1 1 105 105 TYR CB C 13 36.7 0.3 . 1 . . . . 105 TYR CB . 17067 1 665 . 1 1 105 105 TYR N N 15 115.6 0.3 . 1 . . . . 105 TYR N . 17067 1 666 . 1 1 106 106 PRO HA H 1 4.41 0.02 . 1 . . . . 106 PRO HA . 17067 1 667 . 1 1 106 106 PRO HB2 H 1 2.16 0.02 . 2 . . . . 106 PRO HB2 . 17067 1 668 . 1 1 106 106 PRO HB3 H 1 1.89 0.02 . 2 . . . . 106 PRO HB3 . 17067 1 669 . 1 1 106 106 PRO HD2 H 1 3.58 0.02 . 2 . . . . 106 PRO HD2 . 17067 1 670 . 1 1 106 106 PRO HD3 H 1 3.48 0.02 . 2 . . . . 106 PRO HD3 . 17067 1 671 . 1 1 106 106 PRO HG2 H 1 1.90 0.02 . 2 . . . . 106 PRO HG2 . 17067 1 672 . 1 1 106 106 PRO HG3 H 1 1.85 0.02 . 2 . . . . 106 PRO HG3 . 17067 1 673 . 1 1 106 106 PRO CA C 13 62.0 0.3 . 1 . . . . 106 PRO CA . 17067 1 674 . 1 1 106 106 PRO CB C 13 28.7 0.3 . 1 . . . . 106 PRO CB . 17067 1 675 . 1 1 106 106 PRO CD C 13 47.8 0.3 . 1 . . . . 106 PRO CD . 17067 1 676 . 1 1 106 106 PRO CG C 13 24.6 0.3 . 1 . . . . 106 PRO CG . 17067 1 677 . 1 1 107 107 ASP H H 1 8.75 0.02 . 1 . . . . 107 ASP H . 17067 1 678 . 1 1 107 107 ASP HA H 1 4.28 0.02 . 1 . . . . 107 ASP HA . 17067 1 679 . 1 1 107 107 ASP HB2 H 1 2.41 0.02 . 2 . . . . 107 ASP HB2 . 17067 1 680 . 1 1 107 107 ASP HB3 H 1 2.53 0.02 . 2 . . . . 107 ASP HB3 . 17067 1 681 . 1 1 107 107 ASP C C 13 174.1 0.3 . 1 . . . . 107 ASP C . 17067 1 682 . 1 1 107 107 ASP CA C 13 52.4 0.3 . 1 . . . . 107 ASP CA . 17067 1 683 . 1 1 107 107 ASP CB C 13 36.8 0.3 . 1 . . . . 107 ASP CB . 17067 1 684 . 1 1 107 107 ASP N N 15 114.6 0.3 . 1 . . . . 107 ASP N . 17067 1 685 . 1 1 108 108 LEU H H 1 7.24 0.02 . 1 . . . . 108 LEU H . 17067 1 686 . 1 1 108 108 LEU HA H 1 3.99 0.02 . 1 . . . . 108 LEU HA . 17067 1 687 . 1 1 108 108 LEU HB2 H 1 1.16 0.02 . 2 . . . . 108 LEU HB2 . 17067 1 688 . 1 1 108 108 LEU HB3 H 1 0.58 0.02 . 2 . . . . 108 LEU HB3 . 17067 1 689 . 1 1 108 108 LEU HG H 1 1.23 0.02 . 1 . . . . 108 LEU HG . 17067 1 690 . 1 1 108 108 LEU C C 13 173.8 0.3 . 1 . . . . 108 LEU C . 17067 1 691 . 1 1 108 108 LEU CA C 13 52.6 0.3 . 1 . . . . 108 LEU CA . 17067 1 692 . 1 1 108 108 LEU CB C 13 40.0 0.3 . 1 . . . . 108 LEU CB . 17067 1 693 . 1 1 108 108 LEU CD1 C 13 20.0 0.3 . 1 . . . . 108 LEU CD1 . 17067 1 694 . 1 1 108 108 LEU CD2 C 13 14.1 0.3 . 1 . . . . 108 LEU CD2 . 17067 1 695 . 1 1 108 108 LEU CG C 13 24.1 0.3 . 1 . . . . 108 LEU CG . 17067 1 696 . 1 1 108 108 LEU N N 15 119.0 0.3 . 1 . . . . 108 LEU N . 17067 1 697 . 1 1 109 109 TYR H H 1 7.54 0.02 . 1 . . . . 109 TYR H . 17067 1 698 . 1 1 109 109 TYR HA H 1 4.99 0.02 . 1 . . . . 109 TYR HA . 17067 1 699 . 1 1 109 109 TYR C C 13 169.7 0.3 . 1 . . . . 109 TYR C . 17067 1 700 . 1 1 109 109 TYR CA C 13 51.1 0.3 . 1 . . . . 109 TYR CA . 17067 1 701 . 1 1 109 109 TYR CB C 13 35.8 0.3 . 1 . . . . 109 TYR CB . 17067 1 702 . 1 1 109 109 TYR N N 15 117.0 0.3 . 1 . . . . 109 TYR N . 17067 1 703 . 1 1 111 111 GLN H H 1 8.57 0.02 . 1 . . . . 111 GLN H . 17067 1 704 . 1 1 111 111 GLN C C 13 173.2 0.3 . 1 . . . . 111 GLN C . 17067 1 705 . 1 1 111 111 GLN CA C 13 52.1 0.3 . 1 . . . . 111 GLN CA . 17067 1 706 . 1 1 111 111 GLN CB C 13 27.4 0.3 . 1 . . . . 111 GLN CB . 17067 1 707 . 1 1 111 111 GLN N N 15 121.6 0.3 . 1 . . . . 111 GLN N . 17067 1 708 . 1 1 125 125 ALA H H 1 8.34 0.02 . 1 . . . . 125 ALA H . 17067 1 709 . 1 1 125 125 ALA C C 13 175.2 0.3 . 1 . . . . 125 ALA C . 17067 1 710 . 1 1 125 125 ALA CA C 13 49.8 0.3 . 1 . . . . 125 ALA CA . 17067 1 711 . 1 1 125 125 ALA CB C 13 16.2 0.3 . 1 . . . . 125 ALA CB . 17067 1 712 . 1 1 125 125 ALA N N 15 124.5 0.3 . 1 . . . . 125 ALA N . 17067 1 713 . 1 1 126 126 GLU H H 1 8.32 0.02 . 1 . . . . 126 GLU H . 17067 1 714 . 1 1 126 126 GLU C C 13 173.7 0.3 . 1 . . . . 126 GLU C . 17067 1 715 . 1 1 126 126 GLU CA C 13 53.7 0.3 . 1 . . . . 126 GLU CA . 17067 1 716 . 1 1 126 126 GLU CB C 13 27.5 0.3 . 1 . . . . 126 GLU CB . 17067 1 717 . 1 1 126 126 GLU N N 15 120.1 0.3 . 1 . . . . 126 GLU N . 17067 1 718 . 1 1 127 127 GLN H H 1 8.28 0.02 . 1 . . . . 127 GLN H . 17067 1 719 . 1 1 127 127 GLN C C 13 172.7 0.3 . 1 . . . . 127 GLN C . 17067 1 720 . 1 1 127 127 GLN CA C 13 52.8 0.3 . 1 . . . . 127 GLN CA . 17067 1 721 . 1 1 127 127 GLN CB C 13 26.9 0.3 . 1 . . . . 127 GLN CB . 17067 1 722 . 1 1 127 127 GLN N N 15 121.4 0.3 . 1 . . . . 127 GLN N . 17067 1 723 . 1 1 128 128 ALA H H 1 8.30 0.02 . 1 . . . . 128 ALA H . 17067 1 724 . 1 1 128 128 ALA HA H 1 4.17 0.02 . 1 . . . . 128 ALA HA . 17067 1 725 . 1 1 128 128 ALA C C 13 174.8 0.3 . 1 . . . . 128 ALA C . 17067 1 726 . 1 1 128 128 ALA CA C 13 49.6 0.3 . 1 . . . . 128 ALA CA . 17067 1 727 . 1 1 128 128 ALA CB C 13 16.4 0.3 . 1 . . . . 128 ALA CB . 17067 1 728 . 1 1 128 128 ALA N N 15 126.1 0.3 . 1 . . . . 128 ALA N . 17067 1 729 . 1 1 129 129 GLU H H 1 8.34 0.02 . 1 . . . . 129 GLU H . 17067 1 730 . 1 1 129 129 GLU HA H 1 4.16 0.02 . 1 . . . . 129 GLU HA . 17067 1 731 . 1 1 129 129 GLU HB2 H 1 1.80 0.02 . 2 . . . . 129 GLU HB2 . 17067 1 732 . 1 1 129 129 GLU HB3 H 1 2.11 0.02 . 2 . . . . 129 GLU HB3 . 17067 1 733 . 1 1 129 129 GLU C C 13 173.4 0.3 . 1 . . . . 129 GLU C . 17067 1 734 . 1 1 129 129 GLU CA C 13 53.7 0.3 . 1 . . . . 129 GLU CA . 17067 1 735 . 1 1 129 129 GLU CB C 13 27.5 0.3 . 1 . . . . 129 GLU CB . 17067 1 736 . 1 1 129 129 GLU CG C 13 33.4 0.3 . 1 . . . . 129 GLU CG . 17067 1 737 . 1 1 129 129 GLU N N 15 120.5 0.3 . 1 . . . . 129 GLU N . 17067 1 738 . 1 1 130 130 GLU H H 1 8.38 0.02 . 1 . . . . 130 GLU H . 17067 1 739 . 1 1 130 130 GLU HA H 1 4.13 0.02 . 1 . . . . 130 GLU HA . 17067 1 740 . 1 1 130 130 GLU HB2 H 1 1.84 0.02 . 2 . . . . 130 GLU HB2 . 17067 1 741 . 1 1 130 130 GLU HB3 H 1 2.12 0.02 . 2 . . . . 130 GLU HB3 . 17067 1 742 . 1 1 130 130 GLU C C 13 173.7 0.3 . 1 . . . . 130 GLU C . 17067 1 743 . 1 1 130 130 GLU CA C 13 53.7 0.3 . 1 . . . . 130 GLU CA . 17067 1 744 . 1 1 130 130 GLU CB C 13 27.5 0.3 . 1 . . . . 130 GLU CB . 17067 1 745 . 1 1 130 130 GLU CG C 13 33.4 0.3 . 1 . . . . 130 GLU CG . 17067 1 746 . 1 1 130 130 GLU N N 15 121.9 0.3 . 1 . . . . 130 GLU N . 17067 1 747 . 1 1 131 131 THR H H 1 8.14 0.02 . 1 . . . . 131 THR H . 17067 1 748 . 1 1 131 131 THR HA H 1 4.19 0.02 . 1 . . . . 131 THR HA . 17067 1 749 . 1 1 131 131 THR HB H 1 1.88 0.02 . 1 . . . . 131 THR HB . 17067 1 750 . 1 1 131 131 THR C C 13 171.1 0.3 . 1 . . . . 131 THR C . 17067 1 751 . 1 1 131 131 THR CA C 13 58.9 0.3 . 1 . . . . 131 THR CA . 17067 1 752 . 1 1 131 131 THR CB C 13 67.1 0.3 . 1 . . . . 131 THR CB . 17067 1 753 . 1 1 131 131 THR CG2 C 13 18.9 0.3 . 1 . . . . 131 THR CG2 . 17067 1 754 . 1 1 131 131 THR N N 15 116.2 0.3 . 1 . . . . 131 THR N . 17067 1 755 . 1 1 132 132 ALA H H 1 8.28 0.02 . 1 . . . . 132 ALA H . 17067 1 756 . 1 1 132 132 ALA HA H 1 4.69 0.02 . 1 . . . . 132 ALA HA . 17067 1 757 . 1 1 132 132 ALA C C 13 172.7 0.3 . 1 . . . . 132 ALA C . 17067 1 758 . 1 1 132 132 ALA CA C 13 47.8 0.3 . 1 . . . . 132 ALA CA . 17067 1 759 . 1 1 132 132 ALA CB C 13 15.1 0.3 . 1 . . . . 132 ALA CB . 17067 1 760 . 1 1 132 132 ALA N N 15 128.3 0.3 . 1 . . . . 132 ALA N . 17067 1 761 . 1 1 133 133 PRO HA H 1 4.29 0.02 . 1 . . . . 133 PRO HA . 17067 1 762 . 1 1 133 133 PRO HB2 H 1 2.16 0.02 . 2 . . . . 133 PRO HB2 . 17067 1 763 . 1 1 133 133 PRO HB3 H 1 1.76 0.02 . 2 . . . . 133 PRO HB3 . 17067 1 764 . 1 1 133 133 PRO HD2 H 1 3.70 0.02 . 2 . . . . 133 PRO HD2 . 17067 1 765 . 1 1 133 133 PRO HD3 H 1 3.52 0.02 . 2 . . . . 133 PRO HD3 . 17067 1 766 . 1 1 133 133 PRO HG2 H 1 1.90 0.02 . 2 . . . . 133 PRO HG2 . 17067 1 767 . 1 1 133 133 PRO HG3 H 1 1.08 0.02 . 2 . . . . 133 PRO HG3 . 17067 1 768 . 1 1 133 133 PRO CA C 13 60.0 0.3 . 1 . . . . 133 PRO CA . 17067 1 769 . 1 1 133 133 PRO CB C 13 29.2 0.3 . 1 . . . . 133 PRO CB . 17067 1 770 . 1 1 133 133 PRO CD C 13 47.9 0.3 . 1 . . . . 133 PRO CD . 17067 1 771 . 1 1 133 133 PRO CG C 13 24.6 0.3 . 1 . . . . 133 PRO CG . 17067 1 772 . 1 1 134 134 ILE H H 1 8.18 0.02 . 1 . . . . 134 ILE H . 17067 1 773 . 1 1 134 134 ILE HA H 1 4.01 0.02 . 1 . . . . 134 ILE HA . 17067 1 774 . 1 1 134 134 ILE HB H 1 1.71 0.02 . 1 . . . . 134 ILE HB . 17067 1 775 . 1 1 134 134 ILE HG12 H 1 1.38 0.02 . 2 . . . . 134 ILE HG12 . 17067 1 776 . 1 1 134 134 ILE HG13 H 1 1.09 0.02 . 2 . . . . 134 ILE HG13 . 17067 1 777 . 1 1 134 134 ILE C C 13 173.7 0.3 . 1 . . . . 134 ILE C . 17067 1 778 . 1 1 134 134 ILE CA C 13 58.4 0.3 . 1 . . . . 134 ILE CA . 17067 1 779 . 1 1 134 134 ILE CB C 13 35.9 0.3 . 1 . . . . 134 ILE CB . 17067 1 780 . 1 1 134 134 ILE CD1 C 13 24.5 0.3 . 1 . . . . 134 ILE CD1 . 17067 1 781 . 1 1 134 134 ILE CG1 C 13 14.7 0.3 . 1 . . . . 134 ILE CG1 . 17067 1 782 . 1 1 134 134 ILE CG2 C 13 10.1 0.3 . 1 . . . . 134 ILE CG2 . 17067 1 783 . 1 1 134 134 ILE N N 15 121.3 0.3 . 1 . . . . 134 ILE N . 17067 1 784 . 1 1 135 135 GLU H H 1 8.41 0.02 . 1 . . . . 135 GLU H . 17067 1 785 . 1 1 135 135 GLU HA H 1 4.16 0.02 . 1 . . . . 135 GLU HA . 17067 1 786 . 1 1 135 135 GLU HB2 H 1 1.83 0.02 . 2 . . . . 135 GLU HB2 . 17067 1 787 . 1 1 135 135 GLU HB3 H 1 1.92 0.02 . 2 . . . . 135 GLU HB3 . 17067 1 788 . 1 1 135 135 GLU C C 13 173.3 0.3 . 1 . . . . 135 GLU C . 17067 1 789 . 1 1 135 135 GLU CA C 13 53.6 0.3 . 1 . . . . 135 GLU CA . 17067 1 790 . 1 1 135 135 GLU CB C 13 27.4 0.3 . 1 . . . . 135 GLU CB . 17067 1 791 . 1 1 135 135 GLU CG C 13 33.4 0.3 . 1 . . . . 135 GLU CG . 17067 1 792 . 1 1 135 135 GLU N N 15 125.3 0.3 . 1 . . . . 135 GLU N . 17067 1 793 . 1 1 136 136 ALA H H 1 8.31 0.02 . 1 . . . . 136 ALA H . 17067 1 794 . 1 1 136 136 ALA HA H 1 4.18 0.02 . 1 . . . . 136 ALA HA . 17067 1 795 . 1 1 136 136 ALA C C 13 175.1 0.3 . 1 . . . . 136 ALA C . 17067 1 796 . 1 1 136 136 ALA CA C 13 49.7 0.3 . 1 . . . . 136 ALA CA . 17067 1 797 . 1 1 136 136 ALA CB C 13 16.3 0.3 . 1 . . . . 136 ALA CB . 17067 1 798 . 1 1 136 136 ALA N N 15 126.0 0.3 . 1 . . . . 136 ALA N . 17067 1 799 . 1 1 137 137 THR H H 1 8.03 0.02 . 1 . . . . 137 THR H . 17067 1 800 . 1 1 137 137 THR HA H 1 4.23 0.02 . 1 . . . . 137 THR HA . 17067 1 801 . 1 1 137 137 THR HB H 1 4.05 0.02 . 1 . . . . 137 THR HB . 17067 1 802 . 1 1 137 137 THR C C 13 171.5 0.3 . 1 . . . . 137 THR C . 17067 1 803 . 1 1 137 137 THR CA C 13 59.0 0.3 . 1 . . . . 137 THR CA . 17067 1 804 . 1 1 137 137 THR CB C 13 67.0 0.3 . 1 . . . . 137 THR CB . 17067 1 805 . 1 1 137 137 THR CG2 C 13 18.8 0.3 . 1 . . . . 137 THR CG2 . 17067 1 806 . 1 1 137 137 THR N N 15 113.6 0.3 . 1 . . . . 137 THR N . 17067 1 807 . 1 1 138 138 ALA H H 1 8.23 0.02 . 1 . . . . 138 ALA H . 17067 1 808 . 1 1 138 138 ALA HA H 1 4.16 0.02 . 1 . . . . 138 ALA HA . 17067 1 809 . 1 1 138 138 ALA C C 13 175.1 0.3 . 1 . . . . 138 ALA C . 17067 1 810 . 1 1 138 138 ALA CA C 13 49.6 0.3 . 1 . . . . 138 ALA CA . 17067 1 811 . 1 1 138 138 ALA CB C 13 16.4 0.3 . 1 . . . . 138 ALA CB . 17067 1 812 . 1 1 138 138 ALA N N 15 126.8 0.3 . 1 . . . . 138 ALA N . 17067 1 813 . 1 1 139 139 THR H H 1 8.11 0.02 . 1 . . . . 139 THR H . 17067 1 814 . 1 1 139 139 THR HA H 1 4.09 0.02 . 1 . . . . 139 THR HA . 17067 1 815 . 1 1 139 139 THR HB H 1 4.08 0.02 . 1 . . . . 139 THR HB . 17067 1 816 . 1 1 139 139 THR C C 13 171.6 0.3 . 1 . . . . 139 THR C . 17067 1 817 . 1 1 139 139 THR CA C 13 59.1 0.3 . 1 . . . . 139 THR CA . 17067 1 818 . 1 1 139 139 THR CB C 13 67.1 0.3 . 1 . . . . 139 THR CB . 17067 1 819 . 1 1 139 139 THR CG2 C 13 18.8 0.3 . 1 . . . . 139 THR CG2 . 17067 1 820 . 1 1 139 139 THR N N 15 114.5 0.3 . 1 . . . . 139 THR N . 17067 1 821 . 1 1 140 140 LYS H H 1 8.31 0.02 . 1 . . . . 140 LYS H . 17067 1 822 . 1 1 140 140 LYS HA H 1 4.21 0.02 . 1 . . . . 140 LYS HA . 17067 1 823 . 1 1 140 140 LYS HB2 H 1 1.71 0.02 . 2 . . . . 140 LYS HB2 . 17067 1 824 . 1 1 140 140 LYS HB3 H 1 1.65 0.02 . 2 . . . . 140 LYS HB3 . 17067 1 825 . 1 1 140 140 LYS HD2 H 1 1.55 0.02 . 2 . . . . 140 LYS HD2 . 17067 1 826 . 1 1 140 140 LYS HD3 H 1 2.87 0.02 . 2 . . . . 140 LYS HD3 . 17067 1 827 . 1 1 140 140 LYS HE2 H 1 1.55 0.02 . 2 . . . . 140 LYS HE2 . 17067 1 828 . 1 1 140 140 LYS HE3 H 1 2.87 0.02 . 2 . . . . 140 LYS HE3 . 17067 1 829 . 1 1 140 140 LYS HG2 H 1 1.31 0.02 . 2 . . . . 140 LYS HG2 . 17067 1 830 . 1 1 140 140 LYS HG3 H 1 1.56 0.02 . 2 . . . . 140 LYS HG3 . 17067 1 831 . 1 1 140 140 LYS C C 13 173.7 0.3 . 1 . . . . 140 LYS C . 17067 1 832 . 1 1 140 140 LYS CA C 13 53.4 0.3 . 1 . . . . 140 LYS CA . 17067 1 833 . 1 1 140 140 LYS CB C 13 30.1 0.3 . 1 . . . . 140 LYS CB . 17067 1 834 . 1 1 140 140 LYS CD C 13 26.2 0.3 . 1 . . . . 140 LYS CD . 17067 1 835 . 1 1 140 140 LYS CE C 13 39.3 0.3 . 1 . . . . 140 LYS CE . 17067 1 836 . 1 1 140 140 LYS CG C 13 21.8 0.3 . 1 . . . . 140 LYS CG . 17067 1 837 . 1 1 140 140 LYS N N 15 124.1 0.3 . 1 . . . . 140 LYS N . 17067 1 838 . 1 1 141 141 GLU H H 1 8.45 0.02 . 1 . . . . 141 GLU H . 17067 1 839 . 1 1 141 141 GLU HA H 1 4.12 0.02 . 1 . . . . 141 GLU HA . 17067 1 840 . 1 1 141 141 GLU HB2 H 1 1.93 0.02 . 2 . . . . 141 GLU HB2 . 17067 1 841 . 1 1 141 141 GLU HB3 H 1 1.83 0.02 . 2 . . . . 141 GLU HB3 . 17067 1 842 . 1 1 141 141 GLU C C 13 174.0 0.3 . 1 . . . . 141 GLU C . 17067 1 843 . 1 1 141 141 GLU CA C 13 53.9 0.3 . 1 . . . . 141 GLU CA . 17067 1 844 . 1 1 141 141 GLU CB C 13 27.2 0.3 . 1 . . . . 141 GLU CB . 17067 1 845 . 1 1 141 141 GLU CG C 13 33.4 0.3 . 1 . . . . 141 GLU CG . 17067 1 846 . 1 1 141 141 GLU N N 15 122.8 0.3 . 1 . . . . 141 GLU N . 17067 1 847 . 1 1 142 142 GLU H H 1 8.15 0.02 . 1 . . . . 142 GLU H . 17067 1 848 . 1 1 142 142 GLU HA H 1 4.11 0.02 . 1 . . . . 142 GLU HA . 17067 1 849 . 1 1 142 142 GLU HB2 H 1 1.86 0.02 . 2 . . . . 142 GLU HB2 . 17067 1 850 . 1 1 142 142 GLU HB3 H 1 1.91 0.02 . 2 . . . . 142 GLU HB3 . 17067 1 851 . 1 1 142 142 GLU C C 13 173.8 0.3 . 1 . . . . 142 GLU C . 17067 1 852 . 1 1 142 142 GLU CA C 13 53.8 0.3 . 1 . . . . 142 GLU CA . 17067 1 853 . 1 1 142 142 GLU CB C 13 27.8 0.3 . 1 . . . . 142 GLU CB . 17067 1 854 . 1 1 142 142 GLU CG C 13 33.4 0.3 . 1 . . . . 142 GLU CG . 17067 1 855 . 1 1 142 142 GLU N N 15 122.2 0.3 . 1 . . . . 142 GLU N . 17067 1 856 . 1 1 143 143 GLU H H 1 8.42 0.02 . 1 . . . . 143 GLU H . 17067 1 857 . 1 1 143 143 GLU HA H 1 4.16 0.02 . 1 . . . . 143 GLU HA . 17067 1 858 . 1 1 143 143 GLU C C 13 174.4 0.3 . 1 . . . . 143 GLU C . 17067 1 859 . 1 1 143 143 GLU CA C 13 54.2 0.3 . 1 . . . . 143 GLU CA . 17067 1 860 . 1 1 143 143 GLU CB C 13 27.4 0.3 . 1 . . . . 143 GLU CB . 17067 1 861 . 1 1 143 143 GLU CG C 13 33.4 0.3 . 1 . . . . 143 GLU CG . 17067 1 862 . 1 1 143 143 GLU N N 15 122.6 0.3 . 1 . . . . 143 GLU N . 17067 1 863 . 1 1 144 144 GLY H H 1 8.40 0.02 . 1 . . . . 144 GLY H . 17067 1 864 . 1 1 144 144 GLY HA2 H 1 4.20 0.02 . 2 . . . . 144 GLY HA2 . 17067 1 865 . 1 1 144 144 GLY HA3 H 1 3.87 0.02 . 2 . . . . 144 GLY HA3 . 17067 1 866 . 1 1 144 144 GLY C C 13 171.4 0.3 . 1 . . . . 144 GLY C . 17067 1 867 . 1 1 144 144 GLY CA C 13 42.5 0.3 . 1 . . . . 144 GLY CA . 17067 1 868 . 1 1 144 144 GLY N N 15 110.2 0.3 . 1 . . . . 144 GLY N . 17067 1 869 . 1 1 145 145 SER H H 1 8.12 0.02 . 1 . . . . 145 SER H . 17067 1 870 . 1 1 145 145 SER C C 13 171.1 0.3 . 1 . . . . 145 SER C . 17067 1 871 . 1 1 145 145 SER CA C 13 55.5 0.3 . 1 . . . . 145 SER CA . 17067 1 872 . 1 1 145 145 SER CB C 13 61.3 0.3 . 1 . . . . 145 SER CB . 17067 1 873 . 1 1 145 145 SER N N 15 115.6 0.3 . 1 . . . . 145 SER N . 17067 1 874 . 1 1 146 146 SER H H 1 7.97 0.02 . 1 . . . . 146 SER H . 17067 1 875 . 1 1 146 146 SER C C 13 175.9 0.3 . 1 . . . . 146 SER C . 17067 1 876 . 1 1 146 146 SER CA C 13 57.1 0.3 . 1 . . . . 146 SER CA . 17067 1 877 . 1 1 146 146 SER CB C 13 61.8 0.3 . 1 . . . . 146 SER CB . 17067 1 878 . 1 1 146 146 SER N N 15 122.9 0.3 . 1 . . . . 146 SER N . 17067 1 879 . 2 2 4 4 THR H H 1 7.99 0.02 . 1 . . . . 4 THR H . 17067 1 880 . 2 2 4 4 THR C C 13 170.9 0.3 . 1 . . . . 4 THR C . 17067 1 881 . 2 2 4 4 THR CA C 13 58.8 0.3 . 1 . . . . 4 THR CA . 17067 1 882 . 2 2 4 4 THR CB C 13 67.2 0.3 . 1 . . . . 4 THR CB . 17067 1 883 . 2 2 4 4 THR N N 15 117.3 0.3 . 1 . . . . 4 THR N . 17067 1 884 . 2 2 5 5 MET H H 1 8.25 0.02 . 1 . . . . 5 MET H . 17067 1 885 . 2 2 5 5 MET C C 13 171.2 0.3 . 1 . . . . 5 MET C . 17067 1 886 . 2 2 5 5 MET CA C 13 50.5 0.3 . 1 . . . . 5 MET CA . 17067 1 887 . 2 2 5 5 MET CB C 13 29.7 0.3 . 1 . . . . 5 MET CB . 17067 1 888 . 2 2 5 5 MET N N 15 124.4 0.3 . 1 . . . . 5 MET N . 17067 1 889 . 2 2 7 7 GLY H H 1 8.37 0.02 . 1 . . . . 7 GLY H . 17067 1 890 . 2 2 7 7 GLY C C 13 171.2 0.3 . 1 . . . . 7 GLY C . 17067 1 891 . 2 2 7 7 GLY CA C 13 42.4 0.3 . 1 . . . . 7 GLY CA . 17067 1 892 . 2 2 7 7 GLY N N 15 108.9 0.3 . 1 . . . . 7 GLY N . 17067 1 893 . 2 2 8 8 LEU H H 1 7.92 0.02 . 1 . . . . 8 LEU H . 17067 1 894 . 2 2 8 8 LEU C C 13 174.6 0.3 . 1 . . . . 8 LEU C . 17067 1 895 . 2 2 8 8 LEU CA C 13 52.4 0.3 . 1 . . . . 8 LEU CA . 17067 1 896 . 2 2 8 8 LEU CB C 13 39.6 0.3 . 1 . . . . 8 LEU CB . 17067 1 897 . 2 2 8 8 LEU N N 15 121.6 0.3 . 1 . . . . 8 LEU N . 17067 1 898 . 2 2 9 9 VAL H H 1 8.05 0.02 . 1 . . . . 9 VAL H . 17067 1 899 . 2 2 9 9 VAL C C 13 173.0 0.3 . 1 . . . . 9 VAL C . 17067 1 900 . 2 2 9 9 VAL CA C 13 59.4 0.3 . 1 . . . . 9 VAL CA . 17067 1 901 . 2 2 9 9 VAL CB C 13 30.1 0.3 . 1 . . . . 9 VAL CB . 17067 1 902 . 2 2 9 9 VAL N N 15 120.8 0.3 . 1 . . . . 9 VAL N . 17067 1 903 . 2 2 10 10 ASP H H 1 8.30 0.02 . 1 . . . . 10 ASP H . 17067 1 904 . 2 2 10 10 ASP C C 13 173.3 0.3 . 1 . . . . 10 ASP C . 17067 1 905 . 2 2 10 10 ASP CA C 13 51.5 0.3 . 1 . . . . 10 ASP CA . 17067 1 906 . 2 2 10 10 ASP CB C 13 38.5 0.3 . 1 . . . . 10 ASP CB . 17067 1 907 . 2 2 10 10 ASP N N 15 124.2 0.3 . 1 . . . . 10 ASP N . 17067 1 908 . 2 2 11 11 SER H H 1 8.13 0.02 . 1 . . . . 11 SER H . 17067 1 909 . 2 2 11 11 SER C C 13 171.2 0.3 . 1 . . . . 11 SER C . 17067 1 910 . 2 2 11 11 SER CA C 13 55.5 0.3 . 1 . . . . 11 SER CA . 17067 1 911 . 2 2 11 11 SER CB C 13 61.1 0.3 . 1 . . . . 11 SER CB . 17067 1 912 . 2 2 11 11 SER N N 15 116.2 0.3 . 1 . . . . 11 SER N . 17067 1 913 . 2 2 12 12 ASN H H 1 8.37 0.02 . 1 . . . . 12 ASN H . 17067 1 914 . 2 2 12 12 ASN C C 13 170.0 0.3 . 1 . . . . 12 ASN C . 17067 1 915 . 2 2 12 12 ASN CA C 13 48.8 0.3 . 1 . . . . 12 ASN CA . 17067 1 916 . 2 2 12 12 ASN CB C 13 36.1 0.3 . 1 . . . . 12 ASN CB . 17067 1 917 . 2 2 12 12 ASN N N 15 121.4 0.3 . 1 . . . . 12 ASN N . 17067 1 918 . 2 2 14 14 ALA H H 1 8.26 0.02 . 1 . . . . 14 ALA H . 17067 1 919 . 2 2 14 14 ALA C C 13 172.2 0.3 . 1 . . . . 14 ALA C . 17067 1 920 . 2 2 14 14 ALA CA C 13 47.5 0.3 . 1 . . . . 14 ALA CA . 17067 1 921 . 2 2 14 14 ALA CB C 13 15.2 0.3 . 1 . . . . 14 ALA CB . 17067 1 922 . 2 2 14 14 ALA N N 15 125.7 0.3 . 1 . . . . 14 ALA N . 17067 1 923 . 2 2 17 17 GLU H H 1 8.55 0.02 . 1 . . . . 17 GLU H . 17067 1 924 . 2 2 17 17 GLU C C 13 173.9 0.3 . 1 . . . . 17 GLU C . 17067 1 925 . 2 2 17 17 GLU CA C 13 54.1 0.3 . 1 . . . . 17 GLU CA . 17067 1 926 . 2 2 17 17 GLU CB C 13 27.2 0.3 . 1 . . . . 17 GLU CB . 17067 1 927 . 2 2 17 17 GLU N N 15 120.5 0.3 . 1 . . . . 17 GLU N . 17067 1 928 . 2 2 18 18 SER H H 1 8.24 0.02 . 1 . . . . 18 SER H . 17067 1 929 . 2 2 18 18 SER C C 13 172.0 0.3 . 1 . . . . 18 SER C . 17067 1 930 . 2 2 18 18 SER CA C 13 55.6 0.3 . 1 . . . . 18 SER CA . 17067 1 931 . 2 2 18 18 SER CB C 13 61.0 0.3 . 1 . . . . 18 SER CB . 17067 1 932 . 2 2 18 18 SER N N 15 116.3 0.3 . 1 . . . . 18 SER N . 17067 1 933 . 2 2 19 19 GLN H H 1 8.30 0.02 . 1 . . . . 19 GLN H . 17067 1 934 . 2 2 19 19 GLN C C 13 173.1 0.3 . 1 . . . . 19 GLN C . 17067 1 935 . 2 2 19 19 GLN CA C 13 53.1 0.3 . 1 . . . . 19 GLN CA . 17067 1 936 . 2 2 19 19 GLN CB C 13 26.8 0.3 . 1 . . . . 19 GLN CB . 17067 1 937 . 2 2 19 19 GLN N N 15 122.2 0.3 . 1 . . . . 19 GLN N . 17067 1 938 . 2 2 20 20 GLU H H 1 8.25 0.02 . 1 . . . . 20 GLU H . 17067 1 939 . 2 2 20 20 GLU C C 13 173.5 0.3 . 1 . . . . 20 GLU C . 17067 1 940 . 2 2 20 20 GLU CA C 13 53.9 0.3 . 1 . . . . 20 GLU CA . 17067 1 941 . 2 2 20 20 GLU CB C 13 27.3 0.3 . 1 . . . . 20 GLU CB . 17067 1 942 . 2 2 20 20 GLU N N 15 121.7 0.3 . 1 . . . . 20 GLU N . 17067 1 943 . 2 2 21 21 LYS H H 1 8.27 0.02 . 1 . . . . 21 LYS H . 17067 1 944 . 2 2 21 21 LYS C C 13 173.5 0.3 . 1 . . . . 21 LYS C . 17067 1 945 . 2 2 21 21 LYS CA C 13 53.2 0.3 . 1 . . . . 21 LYS CA . 17067 1 946 . 2 2 21 21 LYS CB C 13 29.9 0.3 . 1 . . . . 21 LYS CB . 17067 1 947 . 2 2 21 21 LYS N N 15 122.8 0.3 . 1 . . . . 21 LYS N . 17067 1 948 . 2 2 22 22 LYS H H 1 8.22 0.02 . 1 . . . . 22 LYS H . 17067 1 949 . 2 2 22 22 LYS C C 13 171.6 0.3 . 1 . . . . 22 LYS C . 17067 1 950 . 2 2 22 22 LYS CA C 13 51.3 0.3 . 1 . . . . 22 LYS CA . 17067 1 951 . 2 2 22 22 LYS CB C 13 29.7 0.3 . 1 . . . . 22 LYS CB . 17067 1 952 . 2 2 22 22 LYS N N 15 124.0 0.3 . 1 . . . . 22 LYS N . 17067 1 953 . 2 2 24 24 LEU H H 1 8.26 0.02 . 1 . . . . 24 LEU H . 17067 1 954 . 2 2 24 24 LEU C C 13 174.4 0.3 . 1 . . . . 24 LEU C . 17067 1 955 . 2 2 24 24 LEU CA C 13 52.3 0.3 . 1 . . . . 24 LEU CA . 17067 1 956 . 2 2 24 24 LEU CB C 13 39.8 0.3 . 1 . . . . 24 LEU CB . 17067 1 957 . 2 2 24 24 LEU N N 15 122.7 0.3 . 1 . . . . 24 LEU N . 17067 1 958 . 2 2 25 25 LYS H H 1 8.18 0.02 . 1 . . . . 25 LYS H . 17067 1 959 . 2 2 25 25 LYS C C 13 171.6 0.3 . 1 . . . . 25 LYS C . 17067 1 960 . 2 2 25 25 LYS CA C 13 51.2 0.3 . 1 . . . . 25 LYS CA . 17067 1 961 . 2 2 25 25 LYS CB C 13 29.9 0.3 . 1 . . . . 25 LYS CB . 17067 1 962 . 2 2 25 25 LYS N N 15 123.2 0.3 . 1 . . . . 25 LYS N . 17067 1 963 . 2 2 29 29 ALA H H 1 8.35 0.02 . 1 . . . . 29 ALA H . 17067 1 964 . 2 2 29 29 ALA C C 13 174.5 0.3 . 1 . . . . 29 ALA C . 17067 1 965 . 2 2 29 29 ALA CA C 13 49.6 0.3 . 1 . . . . 29 ALA CA . 17067 1 966 . 2 2 29 29 ALA CB C 13 16.6 0.3 . 1 . . . . 29 ALA CB . 17067 1 967 . 2 2 29 29 ALA N N 15 126.6 0.3 . 1 . . . . 29 ALA N . 17067 1 968 . 2 2 30 30 SER H H 1 8.26 0.02 . 1 . . . . 30 SER H . 17067 1 969 . 2 2 30 30 SER C C 13 170.2 0.3 . 1 . . . . 30 SER C . 17067 1 970 . 2 2 30 30 SER CA C 13 53.5 0.3 . 1 . . . . 30 SER CA . 17067 1 971 . 2 2 30 30 SER CB C 13 60.6 0.3 . 1 . . . . 30 SER CB . 17067 1 972 . 2 2 30 30 SER N N 15 116.7 0.3 . 1 . . . . 30 SER N . 17067 1 973 . 2 2 32 32 GLU H H 1 8.48 0.02 . 1 . . . . 32 GLU H . 17067 1 974 . 2 2 32 32 GLU C C 13 174.2 0.3 . 1 . . . . 32 GLU C . 17067 1 975 . 2 2 32 32 GLU CA C 13 54.2 0.3 . 1 . . . . 32 GLU CA . 17067 1 976 . 2 2 32 32 GLU CB C 13 27.2 0.3 . 1 . . . . 32 GLU CB . 17067 1 977 . 2 2 32 32 GLU N N 15 120.4 0.3 . 1 . . . . 32 GLU N . 17067 1 978 . 2 2 33 33 THR H H 1 8.04 0.02 . 1 . . . . 33 THR H . 17067 1 979 . 2 2 33 33 THR C C 13 171.9 0.3 . 1 . . . . 33 THR C . 17067 1 980 . 2 2 33 33 THR CA C 13 59.5 0.3 . 1 . . . . 33 THR CA . 17067 1 981 . 2 2 33 33 THR CB C 13 66.9 0.3 . 1 . . . . 33 THR CB . 17067 1 982 . 2 2 33 33 THR N N 15 115.6 0.3 . 1 . . . . 33 THR N . 17067 1 983 . 2 2 34 34 LYS H H 1 8.19 0.02 . 1 . . . . 34 LYS H . 17067 1 984 . 2 2 34 34 LYS C C 13 173.6 0.3 . 1 . . . . 34 LYS C . 17067 1 985 . 2 2 34 34 LYS CA C 13 53.8 0.3 . 1 . . . . 34 LYS CA . 17067 1 986 . 2 2 34 34 LYS CB C 13 30.3 0.3 . 1 . . . . 34 LYS CB . 17067 1 987 . 2 2 34 34 LYS N N 15 123.9 0.3 . 1 . . . . 34 LYS N . 17067 1 988 . 2 2 35 35 LYS H H 1 8.18 0.02 . 1 . . . . 35 LYS H . 17067 1 989 . 2 2 35 35 LYS C C 13 173.7 0.3 . 1 . . . . 35 LYS C . 17067 1 990 . 2 2 35 35 LYS CA C 13 53.6 0.3 . 1 . . . . 35 LYS CA . 17067 1 991 . 2 2 35 35 LYS CB C 13 30.4 0.3 . 1 . . . . 35 LYS CB . 17067 1 992 . 2 2 35 35 LYS N N 15 122.4 0.3 . 1 . . . . 35 LYS N . 17067 1 993 . 2 2 36 36 ALA H H 1 8.21 0.02 . 1 . . . . 36 ALA H . 17067 1 994 . 2 2 36 36 ALA C C 13 175.2 0.3 . 1 . . . . 36 ALA C . 17067 1 995 . 2 2 36 36 ALA CA C 13 49.8 0.3 . 1 . . . . 36 ALA CA . 17067 1 996 . 2 2 36 36 ALA CB C 13 16.3 0.3 . 1 . . . . 36 ALA CB . 17067 1 997 . 2 2 36 36 ALA N N 15 125.3 0.3 . 1 . . . . 36 ALA N . 17067 1 998 . 2 2 37 37 ARG H H 1 8.25 0.02 . 1 . . . . 37 ARG H . 17067 1 999 . 2 2 37 37 ARG C C 13 173.5 0.3 . 1 . . . . 37 ARG C . 17067 1 1000 . 2 2 37 37 ARG CA C 13 53.7 0.3 . 1 . . . . 37 ARG CA . 17067 1 1001 . 2 2 37 37 ARG CB C 13 28.2 0.3 . 1 . . . . 37 ARG CB . 17067 1 1002 . 2 2 37 37 ARG N N 15 120.4 0.3 . 1 . . . . 37 ARG N . 17067 1 1003 . 2 2 38 38 ASP H H 1 8.23 0.02 . 1 . . . . 38 ASP H . 17067 1 1004 . 2 2 38 38 ASP C C 13 173.4 0.3 . 1 . . . . 38 ASP C . 17067 1 1005 . 2 2 38 38 ASP CA C 13 51.6 0.3 . 1 . . . . 38 ASP CA . 17067 1 1006 . 2 2 38 38 ASP CB C 13 38.3 0.3 . 1 . . . . 38 ASP CB . 17067 1 1007 . 2 2 38 38 ASP N N 15 121.5 0.3 . 1 . . . . 38 ASP N . 17067 1 1008 . 2 2 39 39 ALA H H 1 8.18 0.02 . 1 . . . . 39 ALA H . 17067 1 1009 . 2 2 39 39 ALA C C 13 175.1 0.3 . 1 . . . . 39 ALA C . 17067 1 1010 . 2 2 39 39 ALA CA C 13 50.1 0.3 . 1 . . . . 39 ALA CA . 17067 1 1011 . 2 2 39 39 ALA CB C 13 16.2 0.3 . 1 . . . . 39 ALA CB . 17067 1 1012 . 2 2 39 39 ALA N N 15 124.7 0.3 . 1 . . . . 39 ALA N . 17067 1 1013 . 2 2 40 40 SER H H 1 8.27 0.02 . 1 . . . . 40 SER H . 17067 1 1014 . 2 2 40 40 SER C C 13 171.8 0.3 . 1 . . . . 40 SER C . 17067 1 1015 . 2 2 40 40 SER CA C 13 56.2 0.3 . 1 . . . . 40 SER CA . 17067 1 1016 . 2 2 40 40 SER CB C 13 60.9 0.3 . 1 . . . . 40 SER CB . 17067 1 1017 . 2 2 40 40 SER N N 15 114.6 0.3 . 1 . . . . 40 SER N . 17067 1 1018 . 2 2 41 41 ILE H H 1 7.82 0.02 . 1 . . . . 41 ILE H . 17067 1 1019 . 2 2 41 41 ILE C C 13 173.4 0.3 . 1 . . . . 41 ILE C . 17067 1 1020 . 2 2 41 41 ILE CA C 13 58.6 0.3 . 1 . . . . 41 ILE CA . 17067 1 1021 . 2 2 41 41 ILE CB C 13 35.6 0.3 . 1 . . . . 41 ILE CB . 17067 1 1022 . 2 2 41 41 ILE N N 15 121.9 0.3 . 1 . . . . 41 ILE N . 17067 1 1023 . 2 2 42 42 ILE H H 1 7.98 0.02 . 1 . . . . 42 ILE H . 17067 1 1024 . 2 2 42 42 ILE C C 13 173.5 0.3 . 1 . . . . 42 ILE C . 17067 1 1025 . 2 2 42 42 ILE CA C 13 58.4 0.3 . 1 . . . . 42 ILE CA . 17067 1 1026 . 2 2 42 42 ILE CB C 13 35.6 0.3 . 1 . . . . 42 ILE CB . 17067 1 1027 . 2 2 42 42 ILE N N 15 124.5 0.3 . 1 . . . . 42 ILE N . 17067 1 1028 . 2 2 43 43 GLU H H 1 8.34 0.02 . 1 . . . . 43 GLU H . 17067 1 1029 . 2 2 43 43 GLU C C 13 173.6 0.3 . 1 . . . . 43 GLU C . 17067 1 1030 . 2 2 43 43 GLU CA C 13 53.8 0.3 . 1 . . . . 43 GLU CA . 17067 1 1031 . 2 2 43 43 GLU CB C 13 27.4 0.3 . 1 . . . . 43 GLU CB . 17067 1 1032 . 2 2 43 43 GLU N N 15 125.3 0.3 . 1 . . . . 43 GLU N . 17067 1 1033 . 2 2 44 44 LYS H H 1 8.29 0.02 . 1 . . . . 44 LYS H . 17067 1 1034 . 2 2 44 44 LYS C C 13 174.3 0.3 . 1 . . . . 44 LYS C . 17067 1 1035 . 2 2 44 44 LYS CA C 13 53.8 0.3 . 1 . . . . 44 LYS CA . 17067 1 1036 . 2 2 44 44 LYS CB C 13 30.2 0.3 . 1 . . . . 44 LYS CB . 17067 1 1037 . 2 2 44 44 LYS N N 15 122.3 0.3 . 1 . . . . 44 LYS N . 17067 1 1038 . 2 2 45 45 GLY H H 1 8.37 0.02 . 1 . . . . 45 GLY H . 17067 1 1039 . 2 2 45 45 GLY C C 13 171.4 0.3 . 1 . . . . 45 GLY C . 17067 1 1040 . 2 2 45 45 GLY CA C 13 42.5 0.3 . 1 . . . . 45 GLY CA . 17067 1 1041 . 2 2 45 45 GLY N N 15 110.0 0.3 . 1 . . . . 45 GLY N . 17067 1 1042 . 2 2 46 46 GLU H H 1 8.25 0.02 . 1 . . . . 46 GLU H . 17067 1 1043 . 2 2 46 46 GLU C C 13 173.9 0.3 . 1 . . . . 46 GLU C . 17067 1 1044 . 2 2 46 46 GLU CA C 13 53.8 0.3 . 1 . . . . 46 GLU CA . 17067 1 1045 . 2 2 46 46 GLU CB C 13 27.6 0.3 . 1 . . . . 46 GLU CB . 17067 1 1046 . 2 2 46 46 GLU N N 15 120.4 0.3 . 1 . . . . 46 GLU N . 17067 1 1047 . 2 2 47 47 GLU H H 1 8.49 0.02 . 1 . . . . 47 GLU H . 17067 1 1048 . 2 2 47 47 GLU C C 13 173.7 0.3 . 1 . . . . 47 GLU C . 17067 1 1049 . 2 2 47 47 GLU CA C 13 54.2 0.3 . 1 . . . . 47 GLU CA . 17067 1 1050 . 2 2 47 47 GLU CB C 13 27.4 0.3 . 1 . . . . 47 GLU CB . 17067 1 1051 . 2 2 47 47 GLU N N 15 121.6 0.3 . 1 . . . . 47 GLU N . 17067 1 1052 . 2 2 48 48 HIS H H 1 8.30 0.02 . 1 . . . . 48 HIS H . 17067 1 1053 . 2 2 48 48 HIS C C 13 172.6 0.3 . 1 . . . . 48 HIS C . 17067 1 1054 . 2 2 48 48 HIS CA C 13 53.5 0.3 . 1 . . . . 48 HIS CA . 17067 1 1055 . 2 2 48 48 HIS CB C 13 27.7 0.3 . 1 . . . . 48 HIS CB . 17067 1 1056 . 2 2 48 48 HIS N N 15 120.1 0.3 . 1 . . . . 48 HIS N . 17067 1 1057 . 2 2 52 52 LEU H H 1 7.98 0.02 . 1 . . . . 52 LEU H . 17067 1 1058 . 2 2 52 52 LEU C C 13 174.7 0.3 . 1 . . . . 52 LEU C . 17067 1 1059 . 2 2 52 52 LEU CA C 13 52.7 0.3 . 1 . . . . 52 LEU CA . 17067 1 1060 . 2 2 52 52 LEU CB C 13 39.3 0.3 . 1 . . . . 52 LEU CB . 17067 1 1061 . 2 2 52 52 LEU N N 15 122.9 0.3 . 1 . . . . 52 LEU N . 17067 1 1062 . 2 2 53 53 ILE H H 1 7.95 0.02 . 1 . . . . 53 ILE H . 17067 1 1063 . 2 2 53 53 ILE C C 13 173.9 0.3 . 1 . . . . 53 ILE C . 17067 1 1064 . 2 2 53 53 ILE CA C 13 58.9 0.3 . 1 . . . . 53 ILE CA . 17067 1 1065 . 2 2 53 53 ILE CB C 13 35.6 0.3 . 1 . . . . 53 ILE CB . 17067 1 1066 . 2 2 53 53 ILE N N 15 121.6 0.3 . 1 . . . . 53 ILE N . 17067 1 1067 . 2 2 54 54 GLU H H 1 8.32 0.02 . 1 . . . . 54 GLU H . 17067 1 1068 . 2 2 54 54 GLU C C 13 174.1 0.3 . 1 . . . . 54 GLU C . 17067 1 1069 . 2 2 54 54 GLU CA C 13 54.5 0.3 . 1 . . . . 54 GLU CA . 17067 1 1070 . 2 2 54 54 GLU CB C 13 27.1 0.3 . 1 . . . . 54 GLU CB . 17067 1 1071 . 2 2 54 54 GLU N N 15 124.1 0.3 . 1 . . . . 54 GLU N . 17067 1 1072 . 2 2 55 55 ALA H H 1 8.14 0.02 . 1 . . . . 55 ALA H . 17067 1 1073 . 2 2 55 55 ALA C C 13 175.6 0.3 . 1 . . . . 55 ALA C . 17067 1 1074 . 2 2 55 55 ALA CA C 13 50.5 0.3 . 1 . . . . 55 ALA CA . 17067 1 1075 . 2 2 55 55 ALA CB C 13 15.9 0.3 . 1 . . . . 55 ALA CB . 17067 1 1076 . 2 2 55 55 ALA N N 15 123.8 0.3 . 1 . . . . 55 ALA N . 17067 1 1077 . 2 2 56 56 HIS H H 1 8.12 0.02 . 1 . . . . 56 HIS H . 17067 1 1078 . 2 2 56 56 HIS C C 13 173.5 0.3 . 1 . . . . 56 HIS C . 17067 1 1079 . 2 2 56 56 HIS CA C 13 54.3 0.3 . 1 . . . . 56 HIS CA . 17067 1 1080 . 2 2 56 56 HIS CB C 13 27.5 0.3 . 1 . . . . 56 HIS CB . 17067 1 1081 . 2 2 56 56 HIS N N 15 118.4 0.3 . 1 . . . . 56 HIS N . 17067 1 1082 . 2 2 57 57 LYS H H 1 8.05 0.02 . 1 . . . . 57 LYS H . 17067 1 1083 . 2 2 57 57 LYS C C 13 174.7 0.3 . 1 . . . . 57 LYS C . 17067 1 1084 . 2 2 57 57 LYS CA C 13 55.1 0.3 . 1 . . . . 57 LYS CA . 17067 1 1085 . 2 2 57 57 LYS CB C 13 30.0 0.3 . 1 . . . . 57 LYS CB . 17067 1 1086 . 2 2 57 57 LYS N N 15 121.7 0.3 . 1 . . . . 57 LYS N . 17067 1 1087 . 2 2 58 58 GLU H H 1 8.38 0.02 . 1 . . . . 58 GLU H . 17067 1 1088 . 2 2 58 58 GLU C C 13 174.9 0.3 . 1 . . . . 58 GLU C . 17067 1 1089 . 2 2 58 58 GLU CA C 13 54.9 0.3 . 1 . . . . 58 GLU CA . 17067 1 1090 . 2 2 58 58 GLU CB C 13 26.9 0.3 . 1 . . . . 58 GLU CB . 17067 1 1091 . 2 2 58 58 GLU N N 15 120.6 0.3 . 1 . . . . 58 GLU N . 17067 1 1092 . 2 2 59 59 SER H H 1 8.13 0.02 . 1 . . . . 59 SER H . 17067 1 1093 . 2 2 59 59 SER C C 13 172.6 0.3 . 1 . . . . 59 SER C . 17067 1 1094 . 2 2 59 59 SER CA C 13 56.8 0.3 . 1 . . . . 59 SER CA . 17067 1 1095 . 2 2 59 59 SER CB C 13 60.9 0.3 . 1 . . . . 59 SER CB . 17067 1 1096 . 2 2 59 59 SER N N 15 116.2 0.3 . 1 . . . . 59 SER N . 17067 1 1097 . 2 2 60 60 MET H H 1 8.06 0.02 . 1 . . . . 60 MET H . 17067 1 1098 . 2 2 60 60 MET C C 13 174.5 0.3 . 1 . . . . 60 MET C . 17067 1 1099 . 2 2 60 60 MET CA C 13 53.6 0.3 . 1 . . . . 60 MET CA . 17067 1 1100 . 2 2 60 60 MET CB C 13 29.7 0.3 . 1 . . . . 60 MET CB . 17067 1 1101 . 2 2 60 60 MET N N 15 121.0 0.3 . 1 . . . . 60 MET N . 17067 1 1102 . 2 2 61 61 ARG H H 1 8.08 0.02 . 1 . . . . 61 ARG H . 17067 1 1103 . 2 2 61 61 ARG C C 13 174.5 0.3 . 1 . . . . 61 ARG C . 17067 1 1104 . 2 2 61 61 ARG CA C 13 54.5 0.3 . 1 . . . . 61 ARG CA . 17067 1 1105 . 2 2 61 61 ARG CB C 13 27.7 0.3 . 1 . . . . 61 ARG CB . 17067 1 1106 . 2 2 61 61 ARG N N 15 121.5 0.3 . 1 . . . . 61 ARG N . 17067 1 1107 . 2 2 62 62 ALA H H 1 8.05 0.02 . 1 . . . . 62 ALA H . 17067 1 1108 . 2 2 62 62 ALA C C 13 175.3 0.3 . 1 . . . . 62 ALA C . 17067 1 1109 . 2 2 62 62 ALA CA C 13 50.3 0.3 . 1 . . . . 62 ALA CA . 17067 1 1110 . 2 2 62 62 ALA CB C 13 16.0 0.3 . 1 . . . . 62 ALA CB . 17067 1 1111 . 2 2 62 62 ALA N N 15 123.8 0.3 . 1 . . . . 62 ALA N . 17067 1 1112 . 2 2 63 63 LEU H H 1 7.85 0.02 . 1 . . . . 63 LEU H . 17067 1 1113 . 2 2 63 63 LEU C C 13 175.1 0.3 . 1 . . . . 63 LEU C . 17067 1 1114 . 2 2 63 63 LEU CA C 13 52.6 0.3 . 1 . . . . 63 LEU CA . 17067 1 1115 . 2 2 63 63 LEU CB C 13 39.6 0.3 . 1 . . . . 63 LEU CB . 17067 1 1116 . 2 2 63 63 LEU N N 15 119.8 0.3 . 1 . . . . 63 LEU N . 17067 1 1117 . 2 2 64 64 GLY H H 1 8.05 0.02 . 1 . . . . 64 GLY H . 17067 1 1118 . 2 2 64 64 GLY C C 13 171.1 0.3 . 1 . . . . 64 GLY C . 17067 1 1119 . 2 2 64 64 GLY CA C 13 42.4 0.3 . 1 . . . . 64 GLY CA . 17067 1 1120 . 2 2 64 64 GLY N N 15 107.9 0.3 . 1 . . . . 64 GLY N . 17067 1 1121 . 2 2 65 65 PHE H H 1 7.76 0.02 . 1 . . . . 65 PHE H . 17067 1 1122 . 2 2 65 65 PHE C C 13 172.4 0.3 . 1 . . . . 65 PHE C . 17067 1 1123 . 2 2 65 65 PHE CA C 13 54.8 0.3 . 1 . . . . 65 PHE CA . 17067 1 1124 . 2 2 65 65 PHE CB C 13 36.9 0.3 . 1 . . . . 65 PHE CB . 17067 1 1125 . 2 2 65 65 PHE N N 15 119.5 0.3 . 1 . . . . 65 PHE N . 17067 1 1126 . 2 2 66 66 LYS H H 1 8.16 0.02 . 1 . . . . 66 LYS H . 17067 1 1127 . 2 2 66 66 LYS C C 13 172.2 0.3 . 1 . . . . 66 LYS C . 17067 1 1128 . 2 2 66 66 LYS CA C 13 53.4 0.3 . 1 . . . . 66 LYS CA . 17067 1 1129 . 2 2 66 66 LYS CB C 13 30.1 0.3 . 1 . . . . 66 LYS CB . 17067 1 1130 . 2 2 66 66 LYS N N 15 123.9 0.3 . 1 . . . . 66 LYS N . 17067 1 1131 . 2 2 67 67 ILE H H 1 7.62 0.02 . 1 . . . . 67 ILE H . 17067 1 1132 . 2 2 67 67 ILE C C 13 178.1 0.3 . 1 . . . . 67 ILE C . 17067 1 1133 . 2 2 67 67 ILE CA C 13 60.0 0.3 . 1 . . . . 67 ILE CA . 17067 1 1134 . 2 2 67 67 ILE CB C 13 36.9 0.3 . 1 . . . . 67 ILE CB . 17067 1 1135 . 2 2 67 67 ILE N N 15 127.3 0.3 . 1 . . . . 67 ILE N . 17067 1 stop_ save_