data_53820 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53820 _Entry.Title ; 1H, 13C, and 15N backbone and side-chain resonance assignments of the Nostoc sp. H-NOX C139A variant in complex with the soluble Guanylyl Cyclase inhibitor Zinc Protoporphyrin IX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-05-27 _Entry.Accession_date 2026-05-27 _Entry.Last_release_date 2026-05-27 _Entry.Original_release_date 2026-05-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Stefanos Gravalos . I. . 0009-0004-9190-8715 53820 2 Emmanouil Andreadis . N. . . 53820 3 Francesca Cantini . . . 0000-0003-0526-6732 53820 4 Lucia Banci . . . 0000-0003-0562-5774 53820 5 Georgios Spyroulias . A. . 0000-0003-1799-3312 53820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53820 spectral_peak_list 1 53820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 563 53820 '15N chemical shifts' 142 53820 '1H chemical shifts' 713 53820 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-10-17 . original BMRB . 53820 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53820 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42642543 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone and side-chain resonance assignments of the Nostoc sp. H-NOX C139A variant in complex with the soluble Guanylyl Cyclase inhibitor Zinc Protoporphyrin IX ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 25 _Citation.Page_last 25 _Citation.Year 2026 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stefanos Gravalos . I. . . 53820 1 2 Emmanouil Andreadis . N. . . 53820 1 3 Francesca Cantini . . . . 53820 1 4 Lucia Banci . . . . 53820 1 5 Georgios Spyroulias . A. . . 53820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53820 _Assembly.ID 1 _Assembly.Name 'Ns H-NOX/ZnPPIX' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Ns H-NOX' 1 $entity_1 . . yes native no no . . . 53820 1 2 ZnPPIX 2 $entity_ZNH . . no native no no . . . 53820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53820 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYGLVNKAIQDMISKHHGED TWEAIKQKAGLEDIDFFVGM EAYSDDVTYHLVGAASEVLG KPAEELLIAFGEYWVTYTSE EGYGELLASAGDSLPEFMEN LDNLHARVGLSFPQLRPPAF ECQHTSSKSMELHYQSTRAG LAPMVLGLLHGLGKRFQTKV EVTQTAFRETGEDHDIFSIK YEDLEHHHHHH ; _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 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Inhibitor of soluble guanylyl cyclase' 53820 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53820 1 2 . TYR . 53820 1 3 . GLY . 53820 1 4 . LEU . 53820 1 5 . VAL . 53820 1 6 . ASN . 53820 1 7 . LYS . 53820 1 8 . ALA . 53820 1 9 . ILE . 53820 1 10 . GLN . 53820 1 11 . ASP . 53820 1 12 . MET . 53820 1 13 . ILE . 53820 1 14 . SER . 53820 1 15 . LYS . 53820 1 16 . HIS . 53820 1 17 . HIS . 53820 1 18 . GLY . 53820 1 19 . GLU . 53820 1 20 . ASP . 53820 1 21 . THR . 53820 1 22 . TRP . 53820 1 23 . GLU . 53820 1 24 . ALA . 53820 1 25 . ILE . 53820 1 26 . LYS . 53820 1 27 . GLN . 53820 1 28 . LYS . 53820 1 29 . ALA . 53820 1 30 . GLY . 53820 1 31 . LEU . 53820 1 32 . GLU . 53820 1 33 . ASP . 53820 1 34 . ILE . 53820 1 35 . ASP . 53820 1 36 . PHE . 53820 1 37 . PHE . 53820 1 38 . VAL . 53820 1 39 . GLY . 53820 1 40 . MET . 53820 1 41 . GLU . 53820 1 42 . ALA . 53820 1 43 . TYR . 53820 1 44 . SER . 53820 1 45 . ASP . 53820 1 46 . ASP . 53820 1 47 . VAL . 53820 1 48 . THR . 53820 1 49 . TYR . 53820 1 50 . HIS . 53820 1 51 . LEU . 53820 1 52 . VAL . 53820 1 53 . GLY . 53820 1 54 . ALA . 53820 1 55 . ALA . 53820 1 56 . SER . 53820 1 57 . GLU . 53820 1 58 . VAL . 53820 1 59 . LEU . 53820 1 60 . GLY . 53820 1 61 . LYS . 53820 1 62 . PRO . 53820 1 63 . ALA . 53820 1 64 . GLU . 53820 1 65 . GLU . 53820 1 66 . LEU . 53820 1 67 . LEU . 53820 1 68 . ILE . 53820 1 69 . ALA . 53820 1 70 . PHE . 53820 1 71 . GLY . 53820 1 72 . GLU . 53820 1 73 . TYR . 53820 1 74 . TRP . 53820 1 75 . VAL . 53820 1 76 . THR . 53820 1 77 . TYR . 53820 1 78 . THR . 53820 1 79 . SER . 53820 1 80 . GLU . 53820 1 81 . GLU . 53820 1 82 . GLY . 53820 1 83 . TYR . 53820 1 84 . GLY . 53820 1 85 . GLU . 53820 1 86 . LEU . 53820 1 87 . LEU . 53820 1 88 . ALA . 53820 1 89 . SER . 53820 1 90 . ALA . 53820 1 91 . GLY . 53820 1 92 . ASP . 53820 1 93 . SER . 53820 1 94 . LEU . 53820 1 95 . PRO . 53820 1 96 . GLU . 53820 1 97 . PHE . 53820 1 98 . MET . 53820 1 99 . GLU . 53820 1 100 . ASN . 53820 1 101 . LEU . 53820 1 102 . ASP . 53820 1 103 . ASN . 53820 1 104 . LEU . 53820 1 105 . HIS . 53820 1 106 . ALA . 53820 1 107 . ARG . 53820 1 108 . VAL . 53820 1 109 . GLY . 53820 1 110 . LEU . 53820 1 111 . SER . 53820 1 112 . PHE . 53820 1 113 . PRO . 53820 1 114 . GLN . 53820 1 115 . LEU . 53820 1 116 . ARG . 53820 1 117 . PRO . 53820 1 118 . PRO . 53820 1 119 . ALA . 53820 1 120 . PHE . 53820 1 121 . GLU . 53820 1 122 . CYS . 53820 1 123 . GLN . 53820 1 124 . HIS . 53820 1 125 . THR . 53820 1 126 . SER . 53820 1 127 . SER . 53820 1 128 . LYS . 53820 1 129 . SER . 53820 1 130 . MET . 53820 1 131 . GLU . 53820 1 132 . LEU . 53820 1 133 . HIS . 53820 1 134 . TYR . 53820 1 135 . GLN . 53820 1 136 . SER . 53820 1 137 . THR . 53820 1 138 . ARG . 53820 1 139 . ALA . 53820 1 140 . GLY . 53820 1 141 . LEU . 53820 1 142 . ALA . 53820 1 143 . PRO . 53820 1 144 . MET . 53820 1 145 . VAL . 53820 1 146 . LEU . 53820 1 147 . GLY . 53820 1 148 . LEU . 53820 1 149 . LEU . 53820 1 150 . HIS . 53820 1 151 . GLY . 53820 1 152 . LEU . 53820 1 153 . GLY . 53820 1 154 . LYS . 53820 1 155 . ARG . 53820 1 156 . PHE . 53820 1 157 . GLN . 53820 1 158 . THR . 53820 1 159 . LYS . 53820 1 160 . VAL . 53820 1 161 . GLU . 53820 1 162 . VAL . 53820 1 163 . THR . 53820 1 164 . GLN . 53820 1 165 . THR . 53820 1 166 . ALA . 53820 1 167 . PHE . 53820 1 168 . ARG . 53820 1 169 . GLU . 53820 1 170 . THR . 53820 1 171 . GLY . 53820 1 172 . GLU . 53820 1 173 . ASP . 53820 1 174 . HIS . 53820 1 175 . ASP . 53820 1 176 . ILE . 53820 1 177 . PHE . 53820 1 178 . SER . 53820 1 179 . ILE . 53820 1 180 . LYS . 53820 1 181 . TYR . 53820 1 182 . GLU . 53820 1 183 . ASP . 53820 1 184 . LEU . 53820 1 185 . GLU . 53820 1 186 . HIS . 53820 1 187 . HIS . 53820 1 188 . HIS . 53820 1 189 . HIS . 53820 1 190 . HIS . 53820 1 191 . HIS . 53820 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53820 1 . TYR 2 2 53820 1 . GLY 3 3 53820 1 . LEU 4 4 53820 1 . VAL 5 5 53820 1 . ASN 6 6 53820 1 . LYS 7 7 53820 1 . ALA 8 8 53820 1 . ILE 9 9 53820 1 . GLN 10 10 53820 1 . ASP 11 11 53820 1 . MET 12 12 53820 1 . ILE 13 13 53820 1 . SER 14 14 53820 1 . LYS 15 15 53820 1 . HIS 16 16 53820 1 . HIS 17 17 53820 1 . GLY 18 18 53820 1 . GLU 19 19 53820 1 . ASP 20 20 53820 1 . THR 21 21 53820 1 . TRP 22 22 53820 1 . GLU 23 23 53820 1 . ALA 24 24 53820 1 . ILE 25 25 53820 1 . LYS 26 26 53820 1 . GLN 27 27 53820 1 . LYS 28 28 53820 1 . ALA 29 29 53820 1 . GLY 30 30 53820 1 . LEU 31 31 53820 1 . GLU 32 32 53820 1 . ASP 33 33 53820 1 . ILE 34 34 53820 1 . ASP 35 35 53820 1 . PHE 36 36 53820 1 . PHE 37 37 53820 1 . VAL 38 38 53820 1 . GLY 39 39 53820 1 . MET 40 40 53820 1 . GLU 41 41 53820 1 . ALA 42 42 53820 1 . TYR 43 43 53820 1 . SER 44 44 53820 1 . ASP 45 45 53820 1 . ASP 46 46 53820 1 . VAL 47 47 53820 1 . THR 48 48 53820 1 . TYR 49 49 53820 1 . HIS 50 50 53820 1 . LEU 51 51 53820 1 . VAL 52 52 53820 1 . GLY 53 53 53820 1 . ALA 54 54 53820 1 . ALA 55 55 53820 1 . SER 56 56 53820 1 . GLU 57 57 53820 1 . VAL 58 58 53820 1 . LEU 59 59 53820 1 . GLY 60 60 53820 1 . LYS 61 61 53820 1 . PRO 62 62 53820 1 . ALA 63 63 53820 1 . GLU 64 64 53820 1 . GLU 65 65 53820 1 . LEU 66 66 53820 1 . LEU 67 67 53820 1 . ILE 68 68 53820 1 . ALA 69 69 53820 1 . PHE 70 70 53820 1 . GLY 71 71 53820 1 . GLU 72 72 53820 1 . TYR 73 73 53820 1 . TRP 74 74 53820 1 . VAL 75 75 53820 1 . THR 76 76 53820 1 . TYR 77 77 53820 1 . THR 78 78 53820 1 . SER 79 79 53820 1 . GLU 80 80 53820 1 . GLU 81 81 53820 1 . GLY 82 82 53820 1 . TYR 83 83 53820 1 . GLY 84 84 53820 1 . GLU 85 85 53820 1 . LEU 86 86 53820 1 . LEU 87 87 53820 1 . ALA 88 88 53820 1 . SER 89 89 53820 1 . ALA 90 90 53820 1 . GLY 91 91 53820 1 . ASP 92 92 53820 1 . SER 93 93 53820 1 . LEU 94 94 53820 1 . PRO 95 95 53820 1 . GLU 96 96 53820 1 . PHE 97 97 53820 1 . MET 98 98 53820 1 . GLU 99 99 53820 1 . ASN 100 100 53820 1 . LEU 101 101 53820 1 . ASP 102 102 53820 1 . ASN 103 103 53820 1 . LEU 104 104 53820 1 . HIS 105 105 53820 1 . ALA 106 106 53820 1 . ARG 107 107 53820 1 . VAL 108 108 53820 1 . GLY 109 109 53820 1 . LEU 110 110 53820 1 . SER 111 111 53820 1 . PHE 112 112 53820 1 . PRO 113 113 53820 1 . GLN 114 114 53820 1 . LEU 115 115 53820 1 . ARG 116 116 53820 1 . PRO 117 117 53820 1 . PRO 118 118 53820 1 . ALA 119 119 53820 1 . PHE 120 120 53820 1 . GLU 121 121 53820 1 . CYS 122 122 53820 1 . GLN 123 123 53820 1 . HIS 124 124 53820 1 . THR 125 125 53820 1 . SER 126 126 53820 1 . SER 127 127 53820 1 . LYS 128 128 53820 1 . SER 129 129 53820 1 . MET 130 130 53820 1 . GLU 131 131 53820 1 . LEU 132 132 53820 1 . HIS 133 133 53820 1 . TYR 134 134 53820 1 . GLN 135 135 53820 1 . SER 136 136 53820 1 . THR 137 137 53820 1 . ARG 138 138 53820 1 . ALA 139 139 53820 1 . GLY 140 140 53820 1 . LEU 141 141 53820 1 . ALA 142 142 53820 1 . PRO 143 143 53820 1 . MET 144 144 53820 1 . VAL 145 145 53820 1 . LEU 146 146 53820 1 . GLY 147 147 53820 1 . LEU 148 148 53820 1 . LEU 149 149 53820 1 . HIS 150 150 53820 1 . GLY 151 151 53820 1 . LEU 152 152 53820 1 . GLY 153 153 53820 1 . LYS 154 154 53820 1 . ARG 155 155 53820 1 . PHE 156 156 53820 1 . GLN 157 157 53820 1 . THR 158 158 53820 1 . LYS 159 159 53820 1 . VAL 160 160 53820 1 . GLU 161 161 53820 1 . VAL 162 162 53820 1 . THR 163 163 53820 1 . GLN 164 164 53820 1 . THR 165 165 53820 1 . ALA 166 166 53820 1 . PHE 167 167 53820 1 . ARG 168 168 53820 1 . GLU 169 169 53820 1 . THR 170 170 53820 1 . GLY 171 171 53820 1 . GLU 172 172 53820 1 . ASP 173 173 53820 1 . HIS 174 174 53820 1 . ASP 175 175 53820 1 . ILE 176 176 53820 1 . PHE 177 177 53820 1 . SER 178 178 53820 1 . ILE 179 179 53820 1 . LYS 180 180 53820 1 . TYR 181 181 53820 1 . GLU 182 182 53820 1 . ASP 183 183 53820 1 . LEU 184 184 53820 1 . GLU 185 185 53820 1 . HIS 186 186 53820 1 . HIS 187 187 53820 1 . HIS 188 188 53820 1 . HIS 189 189 53820 1 . HIS 190 190 53820 1 . HIS 191 191 53820 1 stop_ save_ save_entity_ZNH _Entity.Sf_category entity _Entity.Sf_framecode entity_ZNH _Entity.Entry_ID 53820 _Entity.ID 2 _Entity.BMRB_code ZNH _Entity.Name entity_ZNH _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZNH _Entity.Nonpolymer_comp_label $chem_comp_ZNH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 626.051 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING ZN' BMRB 53820 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PROTOPORPHYRIN IX CONTAINING ZN' BMRB 53820 2 ZNH 'Three letter code' 53820 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 1 ZNH $chem_comp_ZNH 53820 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53820 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 53820 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53820 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet22b(+) . . . 53820 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZNH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZNH _Chem_comp.Entry_ID 53820 _Chem_comp.ID ZNH _Chem_comp.Provenance PDB _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING ZN' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZNH _Chem_comp.PDB_code ZNH _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZNH _Chem_comp.Number_atoms_all 75 _Chem_comp.Number_atoms_nh 43 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H32N4O4.Zn/h39,41H;/q-2;m/rC34H32N4O4Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31-16-32-24(10-12-34(41)42)20(6)28-15-30-22(8-2)18(4)27-14-29(21)35(25)43(36(27)30,37(26)31)38(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/f/h39,41H ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C34 H32 N4 O4 Zn' _Chem_comp.Formula_weight 626.051 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'not provided' _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1I55 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1=C(CCC(O)=O)C2=N3|[Zn]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)C6=Cc8n5c(C=C13)c(C=C)c8C)C SMILES CACTVS 3.341 53820 ZNH CC1=C(CCC(O)=O)C2=N3|[Zn]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)C6=Cc8n5c(C=C13)c(C=C)c8C)C SMILES_CANONICAL CACTVS 3.341 53820 ZNH Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C SMILES 'OpenEye OEToolkits' 1.5.0 53820 ZNH Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 53820 ZNH FUTVBRXUIKZACV-UMRYFLQFDI InChIKey InChI 1.02b 53820 ZNH ; InChI=1/C34H34N4O4.Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H32N4O4.Zn/h39,41H;/q-2;m/rC34H32N4O4Zn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31-16-32-24(10-12-34(41)42)20(6)28-15-30-22(8-2)18(4)27-14-29(21)35(25)43(36(27)30,37(26)31)38(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/f/h39,41H ; InChI InChI 1.02b 53820 ZNH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 0 . . . 0 N N . . . . 29.326 . 23.341 . 0.257 . . . . 1 . 53820 ZNH CHA CHA CHA CHA . C . . N 0 . . . 1 Y N . . . . 30.752 . 23.453 . -2.839 . . . . 2 . 53820 ZNH CHB CHB CHB CHB . C . . N 0 . . . 1 Y N . . . . 31.210 . 20.621 . 1.047 . . . . 3 . 53820 ZNH CHC CHC CHC CHC . C . . N 0 . . . 1 Y N . . . . 28.129 . 23.454 . 3.476 . . . . 4 . 53820 ZNH CHD CHD CHD CHD . C . . N 0 . . . 1 Y N . . . . 27.272 . 25.940 . -0.590 . . . . 5 . 53820 ZNH NA NA NA 'N A' . N . . N 0 . . . 1 Y N . . . . 30.741 . 22.246 . -0.735 . . . . 6 . 53820 ZNH C1A C1A C1A C1A . C . . N 0 . . . 1 Y N . . . . 31.245 . 22.459 . -1.987 . . . . 7 . 53820 ZNH C2A C2A C2A C2A . C . . N 0 . . . 1 Y N . . . . 32.274 . 21.494 . -2.292 . . . . 8 . 53820 ZNH C3A C3A C3A C3A . C . . N 0 . . . 1 Y N . . . . 32.362 . 20.679 . -1.205 . . . . 9 . 53820 ZNH C4A C4A C4A C4A . C . . N 0 . . . 1 Y N . . . . 31.400 . 21.158 . -0.233 . . . . 10 . 53820 ZNH CMA CMA CMA CMA . C . . N 0 . . . 1 N N . . . . 33.291 . 19.483 . -1.045 . . . . 11 . 53820 ZNH CAA CAA CAA CAA . C . . N 0 . . . 1 N N . . . . 33.094 . 21.400 . -3.581 . . . . 12 . 53820 ZNH CBA CBA CBA CBA . C . . N 0 . . . 1 N N . . . . 32.330 . 20.512 . -4.554 . . . . 13 . 53820 ZNH CGA CGA CGA CGA . C . . N 0 . . . 1 N N . . . . 33.087 . 20.229 . -5.839 . . . . 14 . 53820 ZNH O1A O1A O1A O1A . O . . N 0 . . . 1 N N . . . . 32.575 . 19.442 . -6.659 . . . . 15 . 53820 ZNH O2A O2A O2A O2A . O . . N 0 . . . 1 N N . . . . 34.190 . 20.781 . -6.035 . . . . 16 . 53820 ZNH NB NB NB 'N B' . N . . N 0 . . . 1 Y N . . . . 29.628 . 22.254 . 1.947 . . . . 17 . 53820 ZNH C1B C1B C1B C1B . C . . N 0 . . . 1 Y N . . . . 30.381 . 21.109 . 2.053 . . . . 18 . 53820 ZNH C2B C2B C2B C2B . C . . N 0 . . . 1 N N . . . . 30.240 . 20.515 . 3.367 . . . . 19 . 53820 ZNH C3B C3B C3B C3B . C . . N 0 . . . 1 N N . . . . 29.425 . 21.349 . 4.086 . . . . 20 . 53820 ZNH C4B C4B C4B C4B . C . . N 0 . . . 1 Y N . . . . 29.034 . 22.426 . 3.174 . . . . 21 . 53820 ZNH CMB CMB CMB CMB . C . . N 0 . . . 1 N N . . . . 30.816 . 19.160 . 3.775 . . . . 22 . 53820 ZNH CAB CAB CAB CAB . C . . N 0 . . . 1 N N . . . . 29.099 . 21.265 . 5.428 . . . . 23 . 53820 ZNH CBB CBB CBB CBB . C . . N 0 . . . 1 N N . . . . 30.084 . 21.394 . 6.395 . . . . 24 . 53820 ZNH NC NC NC 'N C' . N . . N 0 . . . 1 Y N . . . . 28.004 . 24.549 . 1.271 . . . . 25 . 53820 ZNH C1C C1C C1C C1C . C . . N 0 . . . 1 Y N . . . . 27.651 . 24.439 . 2.596 . . . . 26 . 53820 ZNH C2C C2C C2C C2C . C . . N 0 . . . 1 Y N . . . . 26.620 . 25.395 . 2.926 . . . . 27 . 53820 ZNH C3C C3C C3C C3C . C . . N 0 . . . 1 Y N . . . . 26.325 . 26.070 . 1.770 . . . . 28 . 53820 ZNH C4C C4C C4C C4C . C . . N 0 . . . 1 Y N . . . . 27.208 . 25.535 . 0.746 . . . . 29 . 53820 ZNH CMC CMC CMC CMC . C . . N 0 . . . 1 N N . . . . 26.035 . 25.566 . 4.323 . . . . 30 . 53820 ZNH CAC CAC CAC CAC . C . . N 0 . . . 1 N N . . . . 25.344 . 27.048 . 1.555 . . . . 31 . 53820 ZNH CBC CBC CBC CBC . C . . N 0 . . . 1 N N . . . . 25.207 . 28.203 . 2.309 . . . . 32 . 53820 ZNH ND ND ND 'N D' . N . . N 0 . . . 1 Y N . . . . 29.023 . 24.459 . -1.447 . . . . 33 . 53820 ZNH C1D C1D C1D C1D . C . . N 0 . . . 1 Y N . . . . 28.110 . 25.461 . -1.617 . . . . 34 . 53820 ZNH C2D C2D C2D C2D . C . . N 0 . . . 1 N N . . . . 28.222 . 26.013 . -2.928 . . . . 35 . 53820 ZNH C3D C3D C3D C3D . C . . N 0 . . . 1 N N . . . . 29.243 . 25.340 . -3.544 . . . . 36 . 53820 ZNH C4D C4D C4D C4D . C . . N 0 . . . 1 Y N . . . . 29.727 . 24.372 . -2.614 . . . . 37 . 53820 ZNH CMD CMD CMD CMD . C . . N 0 . . . 1 N N . . . . 27.353 . 27.131 . -3.494 . . . . 38 . 53820 ZNH CAD CAD CAD CAD . C . . N 0 . . . 1 N N . . . . 29.834 . 25.630 . -4.915 . . . . 39 . 53820 ZNH CBD CBD CBD CBD . C . . N 0 . . . 1 N N . . . . 30.962 . 26.634 . -4.701 . . . . 40 . 53820 ZNH CGD CGD CGD CGD . C . . N 0 . . . 1 N N . . . . 31.512 . 27.233 . -5.987 . . . . 41 . 53820 ZNH O1D O1D O1D O1D . O . . N 0 . . . 1 N N . . . . 31.086 . 26.836 . -7.093 . . . . 42 . 53820 ZNH O2D O2D O2D O2D . O . . N 0 . . . 1 N N . . . . 32.384 . 28.119 . -5.879 . . . . 43 . 53820 ZNH HHA HHA HHA HHA . H . . N 0 . . . 1 N N . . . . 31.239 . 23.521 . -3.826 . . . . 44 . 53820 ZNH HHB HHB HHB HHB . H . . N 0 . . . 1 N N . . . . 31.779 . 19.708 . 1.291 . . . . 45 . 53820 ZNH HHC HHC HHC HHC . H . . N 0 . . . 1 N N . . . . 27.754 . 23.491 . 4.512 . . . . 46 . 53820 ZNH HHD HHD HHD HHD . H . . N 0 . . . 1 N N . . . . 26.569 . 26.742 . -0.870 . . . . 47 . 53820 ZNH HMA1 HMA1 HMA1 1HMA . H . . N 0 . . . 0 N N . . . . 33.363 . 18.815 . -0.154 . . . . 48 . 53820 ZNH HMA2 HMA2 HMA2 2HMA . H . . N 0 . . . 0 N N . . . . 33.097 . 18.818 . -1.918 . . . . 49 . 53820 ZNH HMA3 HMA3 HMA3 3HMA . H . . N 0 . . . 0 N N . . . . 34.322 . 19.861 . -1.236 . . . . 50 . 53820 ZNH HAA1 HAA1 HAA1 1HAA . H . . N 0 . . . 0 N N . . . . 33.342 . 22.398 . -4.010 . . . . 51 . 53820 ZNH HAA2 HAA2 HAA2 2HAA . H . . N 0 . . . 0 N N . . . . 34.138 . 21.051 . -3.405 . . . . 52 . 53820 ZNH HBA1 HBA1 HBA1 1HBA . H . . N 0 . . . 0 N N . . . . 32.020 . 19.561 . -4.060 . . . . 53 . 53820 ZNH HBA2 HBA2 HBA2 2HBA . H . . N 0 . . . 0 N N . . . . 31.325 . 20.941 . -4.774 . . . . 54 . 53820 ZNH H2A H2A H2A H2A . H . . N 0 . . . 1 N N . . . . 34.663 . 20.603 . -6.839 . . . . 55 . 53820 ZNH HMB1 HMB1 HMB1 1HMB . H . . N 0 . . . 0 N N . . . . 30.707 . 18.702 . 4.786 . . . . 56 . 53820 ZNH HMB2 HMB2 HMB2 2HMB . H . . N 0 . . . 0 N N . . . . 30.435 . 18.412 . 3.040 . . . . 57 . 53820 ZNH HMB3 HMB3 HMB3 3HMB . H . . N 0 . . . 0 N N . . . . 31.907 . 19.192 . 3.550 . . . . 58 . 53820 ZNH HAB HAB HAB HAB . H . . N 0 . . . 1 N N . . . . 28.051 . 21.094 . 5.727 . . . . 59 . 53820 ZNH HBB1 HBB1 HBB1 1HBB . H . . N 0 . . . 0 N N . . . . 31.131 . 21.564 . 6.095 . . . . 60 . 53820 ZNH HBB2 HBB2 HBB2 2HBB . H . . N 0 . . . 0 N N . . . . 29.824 . 21.327 . 7.464 . . . . 61 . 53820 ZNH HMC1 HMC1 HMC1 1HMC . H . . N 0 . . . 0 N N . . . . 25.239 . 26.304 . 4.577 . . . . 62 . 53820 ZNH HMC2 HMC2 HMC2 2HMC . H . . N 0 . . . 0 N N . . . . 25.670 . 24.564 . 4.650 . . . . 63 . 53820 ZNH HMC3 HMC3 HMC3 3HMC . H . . N 0 . . . 0 N N . . . . 26.888 . 25.752 . 5.015 . . . . 64 . 53820 ZNH HAC HAC HAC HAC . H . . N 0 . . . 1 N N . . . . 24.626 . 26.897 . 0.731 . . . . 65 . 53820 ZNH HBC1 HBC1 HBC1 1HBC . H . . N 0 . . . 0 N N . . . . 25.924 . 28.353 . 3.133 . . . . 66 . 53820 ZNH HBC2 HBC2 HBC2 2HBC . H . . N 0 . . . 0 N N . . . . 24.435 . 28.972 . 2.139 . . . . 67 . 53820 ZNH HMD1 HMD1 HMD1 1HMD . H . . N 0 . . . 0 N N . . . . 27.440 . 27.562 . -4.518 . . . . 68 . 53820 ZNH HMD2 HMD2 HMD2 2HMD . H . . N 0 . . . 0 N N . . . . 26.294 . 26.801 . -3.377 . . . . 69 . 53820 ZNH HMD3 HMD3 HMD3 3HMD . H . . N 0 . . . 0 N N . . . . 27.429 . 27.985 . -2.781 . . . . 70 . 53820 ZNH HAD1 HAD1 HAD1 1HAD . H . . N 0 . . . 0 N N . . . . 30.158 . 24.711 . -5.457 . . . . 71 . 53820 ZNH HAD2 HAD2 HAD2 2HAD . H . . N 0 . . . 0 N N . . . . 29.076 . 25.971 . -5.658 . . . . 72 . 53820 ZNH HBD1 HBD1 HBD1 1HBD . H . . N 0 . . . 0 N N . . . . 30.640 . 27.439 . -4.000 . . . . 73 . 53820 ZNH HBD2 HBD2 HBD2 2HBD . H . . N 0 . . . 0 N N . . . . 31.782 . 26.177 . -4.100 . . . . 74 . 53820 ZNH H2D H2D H2D H2D . H . . N 0 . . . 1 N N . . . . 32.727 . 28.493 . -6.681 . . . . 75 . 53820 ZNH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING ZN NA N N 1 . 53820 ZNH 2 . SING ZN NB N N 2 . 53820 ZNH 3 . SING ZN NC N N 3 . 53820 ZNH 4 . SING ZN ND N N 4 . 53820 ZNH 5 . DOUB CHA C1A Y N 5 . 53820 ZNH 6 . SING CHA C4D Y N 6 . 53820 ZNH 7 . SING CHA HHA N N 7 . 53820 ZNH 8 . DOUB CHB C4A Y N 8 . 53820 ZNH 9 . SING CHB C1B Y N 9 . 53820 ZNH 10 . SING CHB HHB N N 10 . 53820 ZNH 11 . DOUB CHC C4B Y N 11 . 53820 ZNH 12 . SING CHC C1C Y N 12 . 53820 ZNH 13 . SING CHC HHC N N 13 . 53820 ZNH 14 . SING CHD C4C Y N 14 . 53820 ZNH 15 . DOUB CHD C1D Y N 15 . 53820 ZNH 16 . SING CHD HHD N N 16 . 53820 ZNH 17 . SING NA C1A Y N 17 . 53820 ZNH 18 . SING NA C4A Y N 18 . 53820 ZNH 19 . SING C1A C2A Y N 19 . 53820 ZNH 20 . DOUB C2A C3A Y N 20 . 53820 ZNH 21 . SING C2A CAA N N 21 . 53820 ZNH 22 . SING C3A C4A Y N 22 . 53820 ZNH 23 . SING C3A CMA N N 23 . 53820 ZNH 24 . SING CMA HMA1 N N 24 . 53820 ZNH 25 . SING CMA HMA2 N N 25 . 53820 ZNH 26 . SING CMA HMA3 N N 26 . 53820 ZNH 27 . SING CAA CBA N N 27 . 53820 ZNH 28 . SING CAA HAA1 N N 28 . 53820 ZNH 29 . SING CAA HAA2 N N 29 . 53820 ZNH 30 . SING CBA CGA N N 30 . 53820 ZNH 31 . SING CBA HBA1 N N 31 . 53820 ZNH 32 . SING CBA HBA2 N N 32 . 53820 ZNH 33 . DOUB CGA O1A N N 33 . 53820 ZNH 34 . SING CGA O2A N N 34 . 53820 ZNH 35 . SING O2A H2A N N 35 . 53820 ZNH 36 . DOUB NB C1B Y N 36 . 53820 ZNH 37 . SING NB C4B Y N 37 . 53820 ZNH 38 . SING C1B C2B N N 38 . 53820 ZNH 39 . DOUB C2B C3B N N 39 . 53820 ZNH 40 . SING C2B CMB N N 40 . 53820 ZNH 41 . SING C3B C4B N N 41 . 53820 ZNH 42 . SING C3B CAB N N 42 . 53820 ZNH 43 . SING CMB HMB1 N N 43 . 53820 ZNH 44 . SING CMB HMB2 N N 44 . 53820 ZNH 45 . SING CMB HMB3 N N 45 . 53820 ZNH 46 . DOUB CAB CBB N N 46 . 53820 ZNH 47 . SING CAB HAB N N 47 . 53820 ZNH 48 . SING CBB HBB1 N N 48 . 53820 ZNH 49 . SING CBB HBB2 N N 49 . 53820 ZNH 50 . SING NC C1C Y N 50 . 53820 ZNH 51 . SING NC C4C Y N 51 . 53820 ZNH 52 . DOUB C1C C2C Y N 52 . 53820 ZNH 53 . SING C2C C3C Y N 53 . 53820 ZNH 54 . SING C2C CMC N N 54 . 53820 ZNH 55 . DOUB C3C C4C Y N 55 . 53820 ZNH 56 . SING C3C CAC N N 56 . 53820 ZNH 57 . SING CMC HMC1 N N 57 . 53820 ZNH 58 . SING CMC HMC2 N N 58 . 53820 ZNH 59 . SING CMC HMC3 N N 59 . 53820 ZNH 60 . DOUB CAC CBC N N 60 . 53820 ZNH 61 . SING CAC HAC N N 61 . 53820 ZNH 62 . SING CBC HBC1 N N 62 . 53820 ZNH 63 . SING CBC HBC2 N N 63 . 53820 ZNH 64 . SING ND C1D Y N 64 . 53820 ZNH 65 . DOUB ND C4D Y N 65 . 53820 ZNH 66 . SING C1D C2D N N 66 . 53820 ZNH 67 . DOUB C2D C3D N N 67 . 53820 ZNH 68 . SING C2D CMD N N 68 . 53820 ZNH 69 . SING C3D C4D N N 69 . 53820 ZNH 70 . SING C3D CAD N N 70 . 53820 ZNH 71 . SING CMD HMD1 N N 71 . 53820 ZNH 72 . SING CMD HMD2 N N 72 . 53820 ZNH 73 . SING CMD HMD3 N N 73 . 53820 ZNH 74 . SING CAD CBD N N 74 . 53820 ZNH 75 . SING CAD HAD1 N N 75 . 53820 ZNH 76 . SING CAD HAD2 N N 76 . 53820 ZNH 77 . SING CBD CGD N N 77 . 53820 ZNH 78 . SING CBD HBD1 N N 78 . 53820 ZNH 79 . SING CBD HBD2 N N 79 . 53820 ZNH 80 . DOUB CGD O1D N N 80 . 53820 ZNH 81 . SING CGD O2D N N 81 . 53820 ZNH 82 . SING O2D H2D N N 82 . 53820 ZNH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53820 _Sample.ID 1 _Sample.Name '13C 15N Ns H-NOX/ZnPPIX' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Ns H-NOX' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 0.6 0.8 mM . . . . 53820 1 2 'Zinc Protoporphyrin IX' 'natural abundance' . . 2 $entity_ZNH . . 3 . . mM . . . . 53820 1 3 '1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one (ODQ)' 'natural abundance' . . . . . . 3 . . mM . . . . 53820 1 4 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53820 1 5 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 53820 1 6 'sodium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 53820 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53820 _Sample_condition_list.ID 1 _Sample_condition_list.Name '13C 15N Ns H-NOX/ZnPPIX, 50 mM potassium phosphate, 30 mM sodium chloride pH 7' _Sample_condition_list.Details '50 mM potassium phosphate, 30 mM sodium chloride, pH 7' 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' 80 . mM 53820 1 pH 7 . pH 53820 1 pressure 1 . atm 53820 1 temperature 298 . K 53820 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53820 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53820 1 processing . 53820 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53820 _Software.ID 2 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53820 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53820 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53820 3 'data analysis' . 53820 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE III 950 MHz' _NMR_spectrometer.Details 'cryogenically cooled 5 mm 1H/13C/15N/D Z-gradient probe (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53820 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance III 700 MHz' _NMR_spectrometer.Details 'cryogenically cooled 5 mm 1H/13C/15N/D Z-gradient probe (TCI)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53820 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53820 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53820 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53820 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53820 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53820 1 6 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53820 1 7 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53820 1 8 '3D HNHA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53820 1 9 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53820 1 10 '3D (H)CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53820 1 11 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53820 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53820 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'aqueous solution 4.7 ppm' _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 53820 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Ns_H-NOX_ZnPPIX _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 $chem_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' . . . 53820 1 2 '2D 1H-13C HSQC' . . . 53820 1 3 '3D HNCA' . . . 53820 1 4 '3D HNCO' . . . 53820 1 5 '3D HN(CA)CO' . . . 53820 1 6 '3D HNCACB' . . . 53820 1 7 '3D HN(CO)CACB' . . . 53820 1 8 '3D HNHA' . . . 53820 1 9 '3D HBHA(CO)NH' . . . 53820 1 10 '3D (H)CCH-TOCSY' . . . 53820 1 11 '3D 1H-15N NOESY' . . . 53820 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 3 $software_3 . . 53820 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 TYR C C 13 178.012 0.3 . 1 . . . . . 2 TYR C . 53820 1 2 . 1 . 1 2 2 TYR CA C 13 62.022 0.3 . 1 . . . . . 2 TYR CA . 53820 1 3 . 1 . 1 2 2 TYR CB C 13 39.865 0.3 . 1 . . . . . 2 TYR CB . 53820 1 4 . 1 . 1 3 3 GLY H H 1 10.082 0.020 . 1 . . . . . 3 GLY H . 53820 1 5 . 1 . 1 3 3 GLY C C 13 170.257 0.3 . 1 . . . . . 3 GLY C . 53820 1 6 . 1 . 1 3 3 GLY CA C 13 49.072 0.3 . 1 . . . . . 3 GLY CA . 53820 1 7 . 1 . 1 3 3 GLY N N 15 107.630 0.3 . 1 . . . . . 3 GLY N . 53820 1 8 . 1 . 1 5 5 VAL C C 13 176.371 0.3 . 1 . . . . . 5 VAL C . 53820 1 9 . 1 . 1 5 5 VAL CA C 13 65.513 0.3 . 1 . . . . . 5 VAL CA . 53820 1 10 . 1 . 1 5 5 VAL CB C 13 28.311 0.3 . 1 . . . . . 5 VAL CB . 53820 1 11 . 1 . 1 6 6 ASN H H 1 5.908 0.020 . 1 . . . . . 6 ASN H . 53820 1 12 . 1 . 1 6 6 ASN HA H 1 4.290 0.020 . 1 . . . . . 6 ASN HA . 53820 1 13 . 1 . 1 6 6 ASN C C 13 175.840 0.3 . 1 . . . . . 6 ASN C . 53820 1 14 . 1 . 1 6 6 ASN CA C 13 55.611 0.3 . 1 . . . . . 6 ASN CA . 53820 1 15 . 1 . 1 6 6 ASN CB C 13 36.154 0.3 . 1 . . . . . 6 ASN CB . 53820 1 16 . 1 . 1 6 6 ASN N N 15 114.796 0.3 . 1 . . . . . 6 ASN N . 53820 1 17 . 1 . 1 14 14 SER H H 1 8.507 0.020 . 1 . . . . . 14 SER H . 53820 1 18 . 1 . 1 14 14 SER CA C 13 62.561 0.3 . 1 . . . . . 14 SER CA . 53820 1 19 . 1 . 1 14 14 SER N N 15 115.762 0.3 . 1 . . . . . 14 SER N . 53820 1 20 . 1 . 1 15 15 LYS C C 13 178.356 0.3 . 1 . . . . . 15 LYS C . 53820 1 21 . 1 . 1 15 15 LYS CA C 13 59.292 0.3 . 1 . . . . . 15 LYS CA . 53820 1 22 . 1 . 1 16 16 HIS H H 1 7.911 0.020 . 1 . . . . . 16 HIS H . 53820 1 23 . 1 . 1 16 16 HIS C C 13 176.707 0.3 . 1 . . . . . 16 HIS C . 53820 1 24 . 1 . 1 16 16 HIS CA C 13 57.515 0.3 . 1 . . . . . 16 HIS CA . 53820 1 25 . 1 . 1 16 16 HIS CB C 13 32.203 0.3 . 1 . . . . . 16 HIS CB . 53820 1 26 . 1 . 1 16 16 HIS N N 15 114.703 0.3 . 1 . . . . . 16 HIS N . 53820 1 27 . 1 . 1 17 17 HIS H H 1 8.437 0.020 . 1 . . . . . 17 HIS H . 53820 1 28 . 1 . 1 17 17 HIS HA H 1 4.238 0.020 . 1 . . . . . 17 HIS HA . 53820 1 29 . 1 . 1 17 17 HIS HB2 H 1 3.225 0.020 . 2 . . . . . 17 HIS HB2 . 53820 1 30 . 1 . 1 17 17 HIS HB3 H 1 3.198 0.020 . 2 . . . . . 17 HIS HB3 . 53820 1 31 . 1 . 1 17 17 HIS C C 13 175.901 0.3 . 1 . . . . . 17 HIS C . 53820 1 32 . 1 . 1 17 17 HIS CA C 13 56.309 0.3 . 1 . . . . . 17 HIS CA . 53820 1 33 . 1 . 1 17 17 HIS CB C 13 31.812 0.3 . 1 . . . . . 17 HIS CB . 53820 1 34 . 1 . 1 17 17 HIS N N 15 114.244 0.3 . 1 . . . . . 17 HIS N . 53820 1 35 . 1 . 1 18 18 GLY H H 1 7.617 0.020 . 1 . . . . . 18 GLY H . 53820 1 36 . 1 . 1 18 18 GLY HA2 H 1 4.729 0.020 . 2 . . . . . 18 GLY HA2 . 53820 1 37 . 1 . 1 18 18 GLY HA3 H 1 3.963 0.020 . 2 . . . . . 18 GLY HA3 . 53820 1 38 . 1 . 1 18 18 GLY C C 13 174.608 0.3 . 1 . . . . . 18 GLY C . 53820 1 39 . 1 . 1 18 18 GLY CA C 13 44.798 0.3 . 1 . . . . . 18 GLY CA . 53820 1 40 . 1 . 1 18 18 GLY N N 15 110.625 0.3 . 1 . . . . . 18 GLY N . 53820 1 41 . 1 . 1 19 19 GLU H H 1 9.007 0.020 . 1 . . . . . 19 GLU H . 53820 1 42 . 1 . 1 19 19 GLU HA H 1 4.072 0.020 . 1 . . . . . 19 GLU HA . 53820 1 43 . 1 . 1 19 19 GLU HB2 H 1 2.050 0.020 . 2 . . . . . 19 GLU HB2 . 53820 1 44 . 1 . 1 19 19 GLU HB3 H 1 2.018 0.020 . 2 . . . . . 19 GLU HB3 . 53820 1 45 . 1 . 1 19 19 GLU HG2 H 1 2.365 0.020 . 2 . . . . . 19 GLU HG2 . 53820 1 46 . 1 . 1 19 19 GLU HG3 H 1 2.352 0.020 . 2 . . . . . 19 GLU HG3 . 53820 1 47 . 1 . 1 19 19 GLU C C 13 178.411 0.3 . 1 . . . . . 19 GLU C . 53820 1 48 . 1 . 1 19 19 GLU CA C 13 60.022 0.3 . 1 . . . . . 19 GLU CA . 53820 1 49 . 1 . 1 19 19 GLU CB C 13 29.431 0.3 . 1 . . . . . 19 GLU CB . 53820 1 50 . 1 . 1 19 19 GLU CG C 13 36.964 0.3 . 1 . . . . . 19 GLU CG . 53820 1 51 . 1 . 1 19 19 GLU N N 15 122.392 0.3 . 1 . . . . . 19 GLU N . 53820 1 52 . 1 . 1 20 20 ASP H H 1 8.910 0.020 . 1 . . . . . 20 ASP H . 53820 1 53 . 1 . 1 20 20 ASP HA H 1 4.292 0.020 . 1 . . . . . 20 ASP HA . 53820 1 54 . 1 . 1 20 20 ASP HB2 H 1 2.616 0.020 . 2 . . . . . 20 ASP HB2 . 53820 1 55 . 1 . 1 20 20 ASP HB3 H 1 2.592 0.020 . 2 . . . . . 20 ASP HB3 . 53820 1 56 . 1 . 1 20 20 ASP C C 13 179.597 0.3 . 1 . . . . . 20 ASP C . 53820 1 57 . 1 . 1 20 20 ASP CA C 13 57.039 0.3 . 1 . . . . . 20 ASP CA . 53820 1 58 . 1 . 1 20 20 ASP CB C 13 38.955 0.3 . 1 . . . . . 20 ASP CB . 53820 1 59 . 1 . 1 20 20 ASP N N 15 118.627 0.3 . 1 . . . . . 20 ASP N . 53820 1 60 . 1 . 1 21 21 THR H H 1 7.755 0.020 . 1 . . . . . 21 THR H . 53820 1 61 . 1 . 1 21 21 THR HA H 1 3.792 0.020 . 1 . . . . . 21 THR HA . 53820 1 62 . 1 . 1 21 21 THR HB H 1 3.814 0.020 . 1 . . . . . 21 THR HB . 53820 1 63 . 1 . 1 21 21 THR HG21 H 1 0.955 0.020 . 1 . . . . . 21 THR QG2 . 53820 1 64 . 1 . 1 21 21 THR HG22 H 1 0.955 0.020 . 1 . . . . . 21 THR QG2 . 53820 1 65 . 1 . 1 21 21 THR HG23 H 1 0.955 0.020 . 1 . . . . . 21 THR QG2 . 53820 1 66 . 1 . 1 21 21 THR C C 13 175.930 0.3 . 1 . . . . . 21 THR C . 53820 1 67 . 1 . 1 21 21 THR CA C 13 66.497 0.3 . 1 . . . . . 21 THR CA . 53820 1 68 . 1 . 1 21 21 THR CB C 13 67.378 0.3 . 1 . . . . . 21 THR CB . 53820 1 69 . 1 . 1 21 21 THR CG2 C 13 22.774 0.3 . 1 . . . . . 21 THR CG2 . 53820 1 70 . 1 . 1 21 21 THR N N 15 120.141 0.3 . 1 . . . . . 21 THR N . 53820 1 71 . 1 . 1 22 22 TRP H H 1 7.674 0.020 . 1 . . . . . 22 TRP H . 53820 1 72 . 1 . 1 22 22 TRP HB2 H 1 3.076 0.020 . 2 . . . . . 22 TRP HB2 . 53820 1 73 . 1 . 1 22 22 TRP HB3 H 1 3.069 0.020 . 2 . . . . . 22 TRP HB3 . 53820 1 74 . 1 . 1 22 22 TRP C C 13 175.961 0.3 . 1 . . . . . 22 TRP C . 53820 1 75 . 1 . 1 22 22 TRP CA C 13 59.959 0.3 . 1 . . . . . 22 TRP CA . 53820 1 76 . 1 . 1 22 22 TRP CB C 13 28.941 0.3 . 1 . . . . . 22 TRP CB . 53820 1 77 . 1 . 1 22 22 TRP N N 15 120.775 0.3 . 1 . . . . . 22 TRP N . 53820 1 78 . 1 . 1 23 23 GLU H H 1 8.206 0.020 . 1 . . . . . 23 GLU H . 53820 1 79 . 1 . 1 23 23 GLU C C 13 178.825 0.3 . 1 . . . . . 23 GLU C . 53820 1 80 . 1 . 1 23 23 GLU CA C 13 59.356 0.3 . 1 . . . . . 23 GLU CA . 53820 1 81 . 1 . 1 23 23 GLU CB C 13 28.461 0.3 . 1 . . . . . 23 GLU CB . 53820 1 82 . 1 . 1 23 23 GLU N N 15 117.009 0.3 . 1 . . . . . 23 GLU N . 53820 1 83 . 1 . 1 24 24 ALA H H 1 7.421 0.020 . 1 . . . . . 24 ALA H . 53820 1 84 . 1 . 1 24 24 ALA HA H 1 3.908 0.020 . 1 . . . . . 24 ALA HA . 53820 1 85 . 1 . 1 24 24 ALA HB1 H 1 1.389 0.020 . 1 . . . . . 24 ALA HB# . 53820 1 86 . 1 . 1 24 24 ALA HB2 H 1 1.389 0.020 . 1 . . . . . 24 ALA HB# . 53820 1 87 . 1 . 1 24 24 ALA HB3 H 1 1.389 0.020 . 1 . . . . . 24 ALA HB# . 53820 1 88 . 1 . 1 24 24 ALA C C 13 180.845 0.3 . 1 . . . . . 24 ALA C . 53820 1 89 . 1 . 1 24 24 ALA CA C 13 54.817 0.3 . 1 . . . . . 24 ALA CA . 53820 1 90 . 1 . 1 24 24 ALA CB C 13 17.877 0.3 . 1 . . . . . 24 ALA CB . 53820 1 91 . 1 . 1 24 24 ALA N N 15 120.557 0.3 . 1 . . . . . 24 ALA N . 53820 1 92 . 1 . 1 25 25 ILE H H 1 7.735 0.020 . 1 . . . . . 25 ILE H . 53820 1 93 . 1 . 1 25 25 ILE HA H 1 3.143 0.020 . 1 . . . . . 25 ILE HA . 53820 1 94 . 1 . 1 25 25 ILE HB H 1 1.658 0.020 . 1 . . . . . 25 ILE HB . 53820 1 95 . 1 . 1 25 25 ILE HG12 H 1 1.772 0.020 . 2 . . . . . 25 ILE HG12 . 53820 1 96 . 1 . 1 25 25 ILE HG13 H 1 1.740 0.020 . 2 . . . . . 25 ILE HG13 . 53820 1 97 . 1 . 1 25 25 ILE HG21 H 1 0.492 0.020 . 1 . . . . . 25 ILE QG2 . 53820 1 98 . 1 . 1 25 25 ILE HG22 H 1 0.492 0.020 . 1 . . . . . 25 ILE QG2 . 53820 1 99 . 1 . 1 25 25 ILE HG23 H 1 0.492 0.020 . 1 . . . . . 25 ILE QG2 . 53820 1 100 . 1 . 1 25 25 ILE HD11 H 1 0.714 0.020 . 1 . . . . . 25 ILE QD1 . 53820 1 101 . 1 . 1 25 25 ILE HD12 H 1 0.714 0.020 . 1 . . . . . 25 ILE QD1 . 53820 1 102 . 1 . 1 25 25 ILE HD13 H 1 0.714 0.020 . 1 . . . . . 25 ILE QD1 . 53820 1 103 . 1 . 1 25 25 ILE C C 13 175.901 0.3 . 1 . . . . . 25 ILE C . 53820 1 104 . 1 . 1 25 25 ILE CA C 13 65.735 0.3 . 1 . . . . . 25 ILE CA . 53820 1 105 . 1 . 1 25 25 ILE CB C 13 37.484 0.3 . 1 . . . . . 25 ILE CB . 53820 1 106 . 1 . 1 25 25 ILE CG1 C 13 31.349 0.3 . 1 . . . . . 25 ILE CG1 . 53820 1 107 . 1 . 1 25 25 ILE CG2 C 13 16.666 0.3 . 1 . . . . . 25 ILE CG2 . 53820 1 108 . 1 . 1 25 25 ILE CD1 C 13 15.097 0.3 . 1 . . . . . 25 ILE CD1 . 53820 1 109 . 1 . 1 25 25 ILE N N 15 121.772 0.3 . 1 . . . . . 25 ILE N . 53820 1 110 . 1 . 1 26 26 LYS H H 1 8.075 0.020 . 1 . . . . . 26 LYS H . 53820 1 111 . 1 . 1 26 26 LYS C C 13 178.177 0.3 . 1 . . . . . 26 LYS C . 53820 1 112 . 1 . 1 26 26 LYS CA C 13 60.086 0.3 . 1 . . . . . 26 LYS CA . 53820 1 113 . 1 . 1 26 26 LYS CB C 13 31.672 0.3 . 1 . . . . . 26 LYS CB . 53820 1 114 . 1 . 1 26 26 LYS N N 15 120.646 0.3 . 1 . . . . . 26 LYS N . 53820 1 115 . 1 . 1 27 27 GLN H H 1 7.506 0.020 . 1 . . . . . 27 GLN H . 53820 1 116 . 1 . 1 27 27 GLN HA H 1 3.744 0.020 . 1 . . . . . 27 GLN HA . 53820 1 117 . 1 . 1 27 27 GLN HB2 H 1 1.928 0.020 . 2 . . . . . 27 GLN HB2 . 53820 1 118 . 1 . 1 27 27 GLN HB3 H 1 1.905 0.020 . 2 . . . . . 27 GLN HB3 . 53820 1 119 . 1 . 1 27 27 GLN HG2 H 1 2.141 0.020 . 2 . . . . . 27 GLN HG2 . 53820 1 120 . 1 . 1 27 27 GLN HG3 H 1 2.118 0.020 . 2 . . . . . 27 GLN HG3 . 53820 1 121 . 1 . 1 27 27 GLN C C 13 179.947 0.3 . 1 . . . . . 27 GLN C . 53820 1 122 . 1 . 1 27 27 GLN CA C 13 58.784 0.3 . 1 . . . . . 27 GLN CA . 53820 1 123 . 1 . 1 27 27 GLN CB C 13 27.960 0.3 . 1 . . . . . 27 GLN CB . 53820 1 124 . 1 . 1 27 27 GLN CG C 13 33.846 0.3 . 1 . . . . . 27 GLN CG . 53820 1 125 . 1 . 1 27 27 GLN N N 15 115.704 0.3 . 1 . . . . . 27 GLN N . 53820 1 126 . 1 . 1 28 28 LYS H H 1 7.863 0.020 . 1 . . . . . 28 LYS H . 53820 1 127 . 1 . 1 28 28 LYS HA H 1 3.853 0.020 . 1 . . . . . 28 LYS HA . 53820 1 128 . 1 . 1 28 28 LYS HB2 H 1 1.720 0.020 . 2 . . . . . 28 LYS HB2 . 53820 1 129 . 1 . 1 28 28 LYS HB3 H 1 1.700 0.020 . 2 . . . . . 28 LYS HB3 . 53820 1 130 . 1 . 1 28 28 LYS HG2 H 1 1.339 0.020 . 2 . . . . . 28 LYS HG2 . 53820 1 131 . 1 . 1 28 28 LYS HG3 H 1 1.311 0.020 . 2 . . . . . 28 LYS HG3 . 53820 1 132 . 1 . 1 28 28 LYS HD2 H 1 1.539 0.020 . 2 . . . . . 28 LYS HD2 . 53820 1 133 . 1 . 1 28 28 LYS HD3 H 1 1.530 0.020 . 2 . . . . . 28 LYS HD3 . 53820 1 134 . 1 . 1 28 28 LYS HE2 H 1 2.766 0.020 . 2 . . . . . 28 LYS HE2 . 53820 1 135 . 1 . 1 28 28 LYS HE3 H 1 2.749 0.020 . 2 . . . . . 28 LYS HE3 . 53820 1 136 . 1 . 1 28 28 LYS C C 13 177.559 0.3 . 1 . . . . . 28 LYS C . 53820 1 137 . 1 . 1 28 28 LYS CA C 13 58.308 0.3 . 1 . . . . . 28 LYS CA . 53820 1 138 . 1 . 1 28 28 LYS CB C 13 31.392 0.3 . 1 . . . . . 28 LYS CB . 53820 1 139 . 1 . 1 28 28 LYS CG C 13 24.469 0.3 . 1 . . . . . 28 LYS CG . 53820 1 140 . 1 . 1 28 28 LYS CD C 13 28.278 0.3 . 1 . . . . . 28 LYS CD . 53820 1 141 . 1 . 1 28 28 LYS CE C 13 41.629 0.3 . 1 . . . . . 28 LYS CE . 53820 1 142 . 1 . 1 28 28 LYS N N 15 122.527 0.3 . 1 . . . . . 28 LYS N . 53820 1 143 . 1 . 1 29 29 ALA H H 1 8.059 0.020 . 1 . . . . . 29 ALA H . 53820 1 144 . 1 . 1 29 29 ALA HA H 1 3.988 0.020 . 1 . . . . . 29 ALA HA . 53820 1 145 . 1 . 1 29 29 ALA HB1 H 1 1.284 0.020 . 1 . . . . . 29 ALA HB# . 53820 1 146 . 1 . 1 29 29 ALA HB2 H 1 1.284 0.020 . 1 . . . . . 29 ALA HB# . 53820 1 147 . 1 . 1 29 29 ALA HB3 H 1 1.284 0.020 . 1 . . . . . 29 ALA HB# . 53820 1 148 . 1 . 1 29 29 ALA C C 13 176.288 0.3 . 1 . . . . . 29 ALA C . 53820 1 149 . 1 . 1 29 29 ALA CA C 13 52.183 0.3 . 1 . . . . . 29 ALA CA . 53820 1 150 . 1 . 1 29 29 ALA CB C 13 19.137 0.3 . 1 . . . . . 29 ALA CB . 53820 1 151 . 1 . 1 29 29 ALA N N 15 118.379 0.3 . 1 . . . . . 29 ALA N . 53820 1 152 . 1 . 1 30 30 GLY H H 1 7.597 0.020 . 1 . . . . . 30 GLY H . 53820 1 153 . 1 . 1 30 30 GLY HA2 H 1 3.901 0.020 . 2 . . . . . 30 GLY HA2 . 53820 1 154 . 1 . 1 30 30 GLY HA3 H 1 3.877 0.020 . 2 . . . . . 30 GLY HA3 . 53820 1 155 . 1 . 1 30 30 GLY C C 13 176.022 0.3 . 1 . . . . . 30 GLY C . 53820 1 156 . 1 . 1 30 30 GLY CA C 13 46.026 0.3 . 1 . . . . . 30 GLY CA . 53820 1 157 . 1 . 1 30 30 GLY N N 15 105.665 0.3 . 1 . . . . . 30 GLY N . 53820 1 158 . 1 . 1 31 31 LEU H H 1 7.602 0.020 . 1 . . . . . 31 LEU H . 53820 1 159 . 1 . 1 31 31 LEU HA H 1 4.511 0.020 . 1 . . . . . 31 LEU HA . 53820 1 160 . 1 . 1 31 31 LEU HB2 H 1 1.643 0.020 . 2 . . . . . 31 LEU HB2 . 53820 1 161 . 1 . 1 31 31 LEU HB3 H 1 1.328 0.020 . 2 . . . . . 31 LEU HB3 . 53820 1 162 . 1 . 1 31 31 LEU HG H 1 0.891 0.020 . 1 . . . . . 31 LEU HG . 53820 1 163 . 1 . 1 31 31 LEU HD11 H 1 1.378 0.020 . 2 . . . . . 31 LEU QD1 . 53820 1 164 . 1 . 1 31 31 LEU HD12 H 1 1.378 0.020 . 2 . . . . . 31 LEU QD1 . 53820 1 165 . 1 . 1 31 31 LEU HD13 H 1 1.378 0.020 . 2 . . . . . 31 LEU QD1 . 53820 1 166 . 1 . 1 31 31 LEU HD21 H 1 0.841 0.020 . 2 . . . . . 31 LEU QD2 . 53820 1 167 . 1 . 1 31 31 LEU HD22 H 1 0.841 0.020 . 2 . . . . . 31 LEU QD2 . 53820 1 168 . 1 . 1 31 31 LEU HD23 H 1 0.841 0.020 . 2 . . . . . 31 LEU QD2 . 53820 1 169 . 1 . 1 31 31 LEU C C 13 176.631 0.3 . 1 . . . . . 31 LEU C . 53820 1 170 . 1 . 1 31 31 LEU CA C 13 53.230 0.3 . 1 . . . . . 31 LEU CA . 53820 1 171 . 1 . 1 31 31 LEU CB C 13 41.265 0.3 . 1 . . . . . 31 LEU CB . 53820 1 172 . 1 . 1 31 31 LEU CG C 13 27.281 0.3 . 1 . . . . . 31 LEU CG . 53820 1 173 . 1 . 1 31 31 LEU CD1 C 13 26.001 0.3 . 1 . . . . . 31 LEU CD1 . 53820 1 174 . 1 . 1 31 31 LEU CD2 C 13 22.909 0.3 . 1 . . . . . 31 LEU CD2 . 53820 1 175 . 1 . 1 31 31 LEU N N 15 119.179 0.3 . 1 . . . . . 31 LEU N . 53820 1 176 . 1 . 1 32 32 GLU H H 1 8.696 0.020 . 1 . . . . . 32 GLU H . 53820 1 177 . 1 . 1 32 32 GLU HA H 1 3.690 0.020 . 1 . . . . . 32 GLU HA . 53820 1 178 . 1 . 1 32 32 GLU HB2 H 1 1.887 0.020 . 2 . . . . . 32 GLU HB2 . 53820 1 179 . 1 . 1 32 32 GLU HB3 H 1 1.839 0.020 . 2 . . . . . 32 GLU HB3 . 53820 1 180 . 1 . 1 32 32 GLU HG2 H 1 2.069 0.020 . 2 . . . . . 32 GLU HG2 . 53820 1 181 . 1 . 1 32 32 GLU HG3 H 1 2.052 0.020 . 2 . . . . . 32 GLU HG3 . 53820 1 182 . 1 . 1 32 32 GLU C C 13 176.220 0.3 . 1 . . . . . 32 GLU C . 53820 1 183 . 1 . 1 32 32 GLU CA C 13 59.007 0.3 . 1 . . . . . 32 GLU CA . 53820 1 184 . 1 . 1 32 32 GLU CB C 13 29.291 0.3 . 1 . . . . . 32 GLU CB . 53820 1 185 . 1 . 1 32 32 GLU CG C 13 36.012 0.3 . 1 . . . . . 32 GLU CG . 53820 1 186 . 1 . 1 32 32 GLU N N 15 119.127 0.3 . 1 . . . . . 32 GLU N . 53820 1 187 . 1 . 1 33 33 ASP H H 1 8.444 0.020 . 1 . . . . . 33 ASP H . 53820 1 188 . 1 . 1 33 33 ASP HA H 1 4.348 0.020 . 1 . . . . . 33 ASP HA . 53820 1 189 . 1 . 1 33 33 ASP HB2 H 1 2.572 0.020 . 2 . . . . . 33 ASP HB2 . 53820 1 190 . 1 . 1 33 33 ASP HB3 H 1 2.461 0.020 . 2 . . . . . 33 ASP HB3 . 53820 1 191 . 1 . 1 33 33 ASP C C 13 175.751 0.3 . 1 . . . . . 33 ASP C . 53820 1 192 . 1 . 1 33 33 ASP CA C 13 54.785 0.3 . 1 . . . . . 33 ASP CA . 53820 1 193 . 1 . 1 33 33 ASP CB C 13 40.355 0.3 . 1 . . . . . 33 ASP CB . 53820 1 194 . 1 . 1 33 33 ASP N N 15 115.966 0.3 . 1 . . . . . 33 ASP N . 53820 1 195 . 1 . 1 34 34 ILE H H 1 7.430 0.020 . 1 . . . . . 34 ILE H . 53820 1 196 . 1 . 1 34 34 ILE HA H 1 3.860 0.020 . 1 . . . . . 34 ILE HA . 53820 1 197 . 1 . 1 34 34 ILE HB H 1 1.592 0.020 . 1 . . . . . 34 ILE HB . 53820 1 198 . 1 . 1 34 34 ILE HG12 H 1 1.276 0.020 . 1 . . . . . 34 ILE HG12 . 53820 1 199 . 1 . 1 34 34 ILE HG13 H 1 1.276 0.020 . 1 . . . . . 34 ILE HG13 . 53820 1 200 . 1 . 1 34 34 ILE HG21 H 1 0.038 0.020 . 1 . . . . . 34 ILE QG2 . 53820 1 201 . 1 . 1 34 34 ILE HG22 H 1 0.038 0.020 . 1 . . . . . 34 ILE QG2 . 53820 1 202 . 1 . 1 34 34 ILE HG23 H 1 0.038 0.020 . 1 . . . . . 34 ILE QG2 . 53820 1 203 . 1 . 1 34 34 ILE HD11 H 1 0.728 0.020 . 1 . . . . . 34 ILE QD1 . 53820 1 204 . 1 . 1 34 34 ILE HD12 H 1 0.728 0.020 . 1 . . . . . 34 ILE QD1 . 53820 1 205 . 1 . 1 34 34 ILE HD13 H 1 0.728 0.020 . 1 . . . . . 34 ILE QD1 . 53820 1 206 . 1 . 1 34 34 ILE C C 13 174.760 0.3 . 1 . . . . . 34 ILE C . 53820 1 207 . 1 . 1 34 34 ILE CA C 13 60.308 0.3 . 1 . . . . . 34 ILE CA . 53820 1 208 . 1 . 1 34 34 ILE CB C 13 37.554 0.3 . 1 . . . . . 34 ILE CB . 53820 1 209 . 1 . 1 34 34 ILE CG1 C 13 27.293 0.3 . 1 . . . . . 34 ILE CG1 . 53820 1 210 . 1 . 1 34 34 ILE CG2 C 13 16.314 0.3 . 1 . . . . . 34 ILE CG2 . 53820 1 211 . 1 . 1 34 34 ILE CD1 C 13 13.214 0.3 . 1 . . . . . 34 ILE CD1 . 53820 1 212 . 1 . 1 34 34 ILE N N 15 120.591 0.3 . 1 . . . . . 34 ILE N . 53820 1 213 . 1 . 1 35 35 ASP H H 1 8.430 0.020 . 1 . . . . . 35 ASP H . 53820 1 214 . 1 . 1 35 35 ASP HA H 1 4.240 0.020 . 1 . . . . . 35 ASP HA . 53820 1 215 . 1 . 1 35 35 ASP HB2 H 1 2.570 0.020 . 2 . . . . . 35 ASP HB2 . 53820 1 216 . 1 . 1 35 35 ASP HB3 H 1 2.383 0.020 . 2 . . . . . 35 ASP HB3 . 53820 1 217 . 1 . 1 35 35 ASP C C 13 174.775 0.3 . 1 . . . . . 35 ASP C . 53820 1 218 . 1 . 1 35 35 ASP CA C 13 56.182 0.3 . 1 . . . . . 35 ASP CA . 53820 1 219 . 1 . 1 35 35 ASP CB C 13 40.635 0.3 . 1 . . . . . 35 ASP CB . 53820 1 220 . 1 . 1 35 35 ASP N N 15 127.217 0.3 . 1 . . . . . 35 ASP N . 53820 1 221 . 1 . 1 36 36 PHE H H 1 7.126 0.020 . 1 . . . . . 36 PHE H . 53820 1 222 . 1 . 1 36 36 PHE HA H 1 4.510 0.020 . 1 . . . . . 36 PHE HA . 53820 1 223 . 1 . 1 36 36 PHE C C 13 173.531 0.3 . 1 . . . . . 36 PHE C . 53820 1 224 . 1 . 1 36 36 PHE CA C 13 55.388 0.3 . 1 . . . . . 36 PHE CA . 53820 1 225 . 1 . 1 36 36 PHE CB C 13 36.971 0.3 . 1 . . . . . 36 PHE CB . 53820 1 226 . 1 . 1 36 36 PHE N N 15 113.749 0.3 . 1 . . . . . 36 PHE N . 53820 1 227 . 1 . 1 37 37 PHE H H 1 9.206 0.020 . 1 . . . . . 37 PHE H . 53820 1 228 . 1 . 1 37 37 PHE HA H 1 4.564 0.020 . 1 . . . . . 37 PHE HA . 53820 1 229 . 1 . 1 37 37 PHE HB2 H 1 2.596 0.020 . 1 . . . . . 37 PHE HB2 . 53820 1 230 . 1 . 1 37 37 PHE C C 13 174.912 0.3 . 1 . . . . . 37 PHE C . 53820 1 231 . 1 . 1 37 37 PHE CA C 13 57.959 0.3 . 1 . . . . . 37 PHE CA . 53820 1 232 . 1 . 1 37 37 PHE CB C 13 40.720 0.3 . 1 . . . . . 37 PHE CB . 53820 1 233 . 1 . 1 37 37 PHE N N 15 119.025 0.3 . 1 . . . . . 37 PHE N . 53820 1 234 . 1 . 1 39 39 GLY C C 13 174.468 0.3 . 1 . . . . . 39 GLY C . 53820 1 235 . 1 . 1 39 39 GLY CA C 13 47.359 0.3 . 1 . . . . . 39 GLY CA . 53820 1 236 . 1 . 1 40 40 MET H H 1 7.900 0.020 . 1 . . . . . 40 MET H . 53820 1 237 . 1 . 1 40 40 MET HA H 1 5.054 0.020 . 1 . . . . . 40 MET HA . 53820 1 238 . 1 . 1 40 40 MET HB2 H 1 2.457 0.020 . 2 . . . . . 40 MET HB2 . 53820 1 239 . 1 . 1 40 40 MET HB3 H 1 2.372 0.020 . 2 . . . . . 40 MET HB3 . 53820 1 240 . 1 . 1 40 40 MET HG2 H 1 2.650 0.020 . 2 . . . . . 40 MET HG2 . 53820 1 241 . 1 . 1 40 40 MET HG3 H 1 2.639 0.020 . 2 . . . . . 40 MET HG3 . 53820 1 242 . 1 . 1 40 40 MET C C 13 175.642 0.3 . 1 . . . . . 40 MET C . 53820 1 243 . 1 . 1 40 40 MET CA C 13 54.722 0.3 . 1 . . . . . 40 MET CA . 53820 1 244 . 1 . 1 40 40 MET CB C 13 31.061 0.3 . 1 . . . . . 40 MET CB . 53820 1 245 . 1 . 1 40 40 MET CG C 13 32.280 0.3 . 1 . . . . . 40 MET CG . 53820 1 246 . 1 . 1 40 40 MET N N 15 112.467 0.3 . 1 . . . . . 40 MET N . 53820 1 247 . 1 . 1 41 41 GLU H H 1 7.849 0.020 . 1 . . . . . 41 GLU H . 53820 1 248 . 1 . 1 41 41 GLU C C 13 174.258 0.3 . 1 . . . . . 41 GLU C . 53820 1 249 . 1 . 1 41 41 GLU CA C 13 54.944 0.3 . 1 . . . . . 41 GLU CA . 53820 1 250 . 1 . 1 41 41 GLU CB C 13 31.832 0.3 . 1 . . . . . 41 GLU CB . 53820 1 251 . 1 . 1 41 41 GLU CG C 13 37.907 0.3 . 1 . . . . . 41 GLU CG . 53820 1 252 . 1 . 1 41 41 GLU N N 15 120.951 0.3 . 1 . . . . . 41 GLU N . 53820 1 253 . 1 . 1 42 42 ALA H H 1 8.485 0.020 . 1 . . . . . 42 ALA H . 53820 1 254 . 1 . 1 42 42 ALA HA H 1 3.798 0.020 . 1 . . . . . 42 ALA HA . 53820 1 255 . 1 . 1 42 42 ALA HB1 H 1 0.794 0.020 . 1 . . . . . 42 ALA HB# . 53820 1 256 . 1 . 1 42 42 ALA HB2 H 1 0.794 0.020 . 1 . . . . . 42 ALA HB# . 53820 1 257 . 1 . 1 42 42 ALA HB3 H 1 0.794 0.020 . 1 . . . . . 42 ALA HB# . 53820 1 258 . 1 . 1 42 42 ALA C C 13 176.403 0.3 . 1 . . . . . 42 ALA C . 53820 1 259 . 1 . 1 42 42 ALA CA C 13 51.865 0.3 . 1 . . . . . 42 ALA CA . 53820 1 260 . 1 . 1 42 42 ALA CB C 13 18.717 0.3 . 1 . . . . . 42 ALA CB . 53820 1 261 . 1 . 1 42 42 ALA N N 15 127.124 0.3 . 1 . . . . . 42 ALA N . 53820 1 262 . 1 . 1 43 43 TYR H H 1 7.551 0.020 . 1 . . . . . 43 TYR H . 53820 1 263 . 1 . 1 43 43 TYR HA H 1 4.457 0.020 . 1 . . . . . 43 TYR HA . 53820 1 264 . 1 . 1 43 43 TYR HB2 H 1 2.975 0.020 . 2 . . . . . 43 TYR HB2 . 53820 1 265 . 1 . 1 43 43 TYR HB3 H 1 2.951 0.020 . 2 . . . . . 43 TYR HB3 . 53820 1 266 . 1 . 1 43 43 TYR C C 13 175.901 0.3 . 1 . . . . . 43 TYR C . 53820 1 267 . 1 . 1 43 43 TYR CA C 13 57.261 0.3 . 1 . . . . . 43 TYR CA . 53820 1 268 . 1 . 1 43 43 TYR CB C 13 40.565 0.3 . 1 . . . . . 43 TYR CB . 53820 1 269 . 1 . 1 43 43 TYR N N 15 120.796 0.3 . 1 . . . . . 43 TYR N . 53820 1 270 . 1 . 1 44 44 SER H H 1 9.176 0.020 . 1 . . . . . 44 SER H . 53820 1 271 . 1 . 1 44 44 SER C C 13 174.547 0.3 . 1 . . . . . 44 SER C . 53820 1 272 . 1 . 1 44 44 SER CA C 13 58.816 0.3 . 1 . . . . . 44 SER CA . 53820 1 273 . 1 . 1 44 44 SER CB C 13 63.114 0.3 . 1 . . . . . 44 SER CB . 53820 1 274 . 1 . 1 44 44 SER N N 15 116.543 0.3 . 1 . . . . . 44 SER N . 53820 1 275 . 1 . 1 45 45 ASP C C 13 176.867 0.3 . 1 . . . . . 45 ASP C . 53820 1 276 . 1 . 1 45 45 ASP CA C 13 58.372 0.3 . 1 . . . . . 45 ASP CA . 53820 1 277 . 1 . 1 45 45 ASP CB C 13 39.585 0.3 . 1 . . . . . 45 ASP CB . 53820 1 278 . 1 . 1 46 46 ASP H H 1 8.350 0.020 . 1 . . . . . 46 ASP H . 53820 1 279 . 1 . 1 46 46 ASP HA H 1 4.978 0.020 . 1 . . . . . 46 ASP HA . 53820 1 280 . 1 . 1 46 46 ASP HB2 H 1 2.421 0.020 . 2 . . . . . 46 ASP HB2 . 53820 1 281 . 1 . 1 46 46 ASP HB3 H 1 2.289 0.020 . 2 . . . . . 46 ASP HB3 . 53820 1 282 . 1 . 1 46 46 ASP C C 13 177.087 0.3 . 1 . . . . . 46 ASP C . 53820 1 283 . 1 . 1 46 46 ASP CA C 13 57.356 0.3 . 1 . . . . . 46 ASP CA . 53820 1 284 . 1 . 1 46 46 ASP CB C 13 39.716 0.3 . 1 . . . . . 46 ASP CB . 53820 1 285 . 1 . 1 46 46 ASP N N 15 117.588 0.3 . 1 . . . . . 46 ASP N . 53820 1 286 . 1 . 1 47 47 VAL H H 1 7.376 0.020 . 1 . . . . . 47 VAL H . 53820 1 287 . 1 . 1 47 47 VAL HA H 1 3.526 0.020 . 1 . . . . . 47 VAL HA . 53820 1 288 . 1 . 1 47 47 VAL HB H 1 2.032 0.020 . 1 . . . . . 47 VAL HB . 53820 1 289 . 1 . 1 47 47 VAL HG11 H 1 1.196 0.020 . 2 . . . . . 47 VAL QG1 . 53820 1 290 . 1 . 1 47 47 VAL HG12 H 1 1.196 0.020 . 2 . . . . . 47 VAL QG1 . 53820 1 291 . 1 . 1 47 47 VAL HG13 H 1 1.196 0.020 . 2 . . . . . 47 VAL QG1 . 53820 1 292 . 1 . 1 47 47 VAL HG21 H 1 0.738 0.020 . 2 . . . . . 47 VAL QG2 . 53820 1 293 . 1 . 1 47 47 VAL HG22 H 1 0.738 0.020 . 2 . . . . . 47 VAL QG2 . 53820 1 294 . 1 . 1 47 47 VAL HG23 H 1 0.738 0.020 . 2 . . . . . 47 VAL QG2 . 53820 1 295 . 1 . 1 47 47 VAL C C 13 177.163 0.3 . 1 . . . . . 47 VAL C . 53820 1 296 . 1 . 1 47 47 VAL CA C 13 66.687 0.3 . 1 . . . . . 47 VAL CA . 53820 1 297 . 1 . 1 47 47 VAL CB C 13 32.372 0.3 . 1 . . . . . 47 VAL CB . 53820 1 298 . 1 . 1 47 47 VAL CG1 C 13 22.929 0.3 . 1 . . . . . 47 VAL CG1 . 53820 1 299 . 1 . 1 47 47 VAL CG2 C 13 20.919 0.3 . 1 . . . . . 47 VAL CG2 . 53820 1 300 . 1 . 1 47 47 VAL N N 15 117.846 0.3 . 1 . . . . . 47 VAL N . 53820 1 301 . 1 . 1 48 48 THR H H 1 6.936 0.020 . 1 . . . . . 48 THR H . 53820 1 302 . 1 . 1 48 48 THR CA C 13 66.783 0.3 . 1 . . . . . 48 THR CA . 53820 1 303 . 1 . 1 48 48 THR CB C 13 68.856 0.3 . 1 . . . . . 48 THR CB . 53820 1 304 . 1 . 1 48 48 THR N N 15 114.474 0.3 . 1 . . . . . 48 THR N . 53820 1 305 . 1 . 1 49 49 TYR C C 13 179.762 0.3 . 1 . . . . . 49 TYR C . 53820 1 306 . 1 . 1 49 49 TYR CA C 13 61.641 0.3 . 1 . . . . . 49 TYR CA . 53820 1 307 . 1 . 1 49 49 TYR CB C 13 36.784 0.3 . 1 . . . . . 49 TYR CB . 53820 1 308 . 1 . 1 50 50 HIS H H 1 9.018 0.020 . 1 . . . . . 50 HIS H . 53820 1 309 . 1 . 1 50 50 HIS HA H 1 4.567 0.020 . 1 . . . . . 50 HIS HA . 53820 1 310 . 1 . 1 50 50 HIS HB2 H 1 3.277 0.020 . 2 . . . . . 50 HIS HB2 . 53820 1 311 . 1 . 1 50 50 HIS HB3 H 1 3.251 0.020 . 2 . . . . . 50 HIS HB3 . 53820 1 312 . 1 . 1 50 50 HIS C C 13 178.715 0.3 . 1 . . . . . 50 HIS C . 53820 1 313 . 1 . 1 50 50 HIS CA C 13 57.864 0.3 . 1 . . . . . 50 HIS CA . 53820 1 314 . 1 . 1 50 50 HIS CB C 13 29.011 0.3 . 1 . . . . . 50 HIS CB . 53820 1 315 . 1 . 1 50 50 HIS N N 15 118.960 0.3 . 1 . . . . . 50 HIS N . 53820 1 316 . 1 . 1 51 51 LEU H H 1 8.041 0.020 . 1 . . . . . 51 LEU H . 53820 1 317 . 1 . 1 51 51 LEU C C 13 178.081 0.3 . 1 . . . . . 51 LEU C . 53820 1 318 . 1 . 1 51 51 LEU CA C 13 58.658 0.3 . 1 . . . . . 51 LEU CA . 53820 1 319 . 1 . 1 51 51 LEU CB C 13 38.850 0.3 . 1 . . . . . 51 LEU CB . 53820 1 320 . 1 . 1 51 51 LEU N N 15 121.514 0.3 . 1 . . . . . 51 LEU N . 53820 1 321 . 1 . 1 52 52 VAL H H 1 7.939 0.020 . 1 . . . . . 52 VAL H . 53820 1 322 . 1 . 1 52 52 VAL HA H 1 3.142 0.020 . 1 . . . . . 52 VAL HA . 53820 1 323 . 1 . 1 52 52 VAL HB H 1 1.993 0.020 . 1 . . . . . 52 VAL HB . 53820 1 324 . 1 . 1 52 52 VAL HG11 H 1 0.651 0.020 . 2 . . . . . 52 VAL QG1 . 53820 1 325 . 1 . 1 52 52 VAL HG12 H 1 0.651 0.020 . 2 . . . . . 52 VAL QG1 . 53820 1 326 . 1 . 1 52 52 VAL HG13 H 1 0.651 0.020 . 2 . . . . . 52 VAL QG1 . 53820 1 327 . 1 . 1 52 52 VAL HG21 H 1 0.628 0.020 . 2 . . . . . 52 VAL QG2 . 53820 1 328 . 1 . 1 52 52 VAL HG22 H 1 0.628 0.020 . 2 . . . . . 52 VAL QG2 . 53820 1 329 . 1 . 1 52 52 VAL HG23 H 1 0.628 0.020 . 2 . . . . . 52 VAL QG2 . 53820 1 330 . 1 . 1 52 52 VAL C C 13 177.954 0.3 . 1 . . . . . 52 VAL C . 53820 1 331 . 1 . 1 52 52 VAL CA C 13 67.386 0.3 . 1 . . . . . 52 VAL CA . 53820 1 332 . 1 . 1 52 52 VAL CB C 13 31.182 0.3 . 1 . . . . . 52 VAL CB . 53820 1 333 . 1 . 1 52 52 VAL CG1 C 13 22.026 0.3 . 1 . . . . . 52 VAL CG1 . 53820 1 334 . 1 . 1 52 52 VAL CG2 C 13 21.297 0.3 . 1 . . . . . 52 VAL CG2 . 53820 1 335 . 1 . 1 52 52 VAL N N 15 118.133 0.3 . 1 . . . . . 52 VAL N . 53820 1 336 . 1 . 1 53 53 GLY H H 1 8.252 0.020 . 1 . . . . . 53 GLY H . 53820 1 337 . 1 . 1 53 53 GLY C C 13 176.631 0.3 . 1 . . . . . 53 GLY C . 53820 1 338 . 1 . 1 53 53 GLY CA C 13 47.274 0.3 . 1 . . . . . 53 GLY CA . 53820 1 339 . 1 . 1 53 53 GLY N N 15 106.096 0.3 . 1 . . . . . 53 GLY N . 53820 1 340 . 1 . 1 54 54 ALA H H 1 8.210 0.020 . 1 . . . . . 54 ALA H . 53820 1 341 . 1 . 1 54 54 ALA HA H 1 4.071 0.020 . 1 . . . . . 54 ALA HA . 53820 1 342 . 1 . 1 54 54 ALA HB1 H 1 1.303 0.020 . 1 . . . . . 54 ALA HB# . 53820 1 343 . 1 . 1 54 54 ALA HB2 H 1 1.303 0.020 . 1 . . . . . 54 ALA HB# . 53820 1 344 . 1 . 1 54 54 ALA HB3 H 1 1.303 0.020 . 1 . . . . . 54 ALA HB# . 53820 1 345 . 1 . 1 54 54 ALA C C 13 179.065 0.3 . 1 . . . . . 54 ALA C . 53820 1 346 . 1 . 1 54 54 ALA CA C 13 54.722 0.3 . 1 . . . . . 54 ALA CA . 53820 1 347 . 1 . 1 54 54 ALA CB C 13 19.837 0.3 . 1 . . . . . 54 ALA CB . 53820 1 348 . 1 . 1 54 54 ALA N N 15 124.277 0.3 . 1 . . . . . 54 ALA N . 53820 1 349 . 1 . 1 55 55 ALA H H 1 8.570 0.020 . 1 . . . . . 55 ALA H . 53820 1 350 . 1 . 1 55 55 ALA HA H 1 4.026 0.020 . 1 . . . . . 55 ALA HA . 53820 1 351 . 1 . 1 55 55 ALA HB1 H 1 1.289 0.020 . 1 . . . . . 55 ALA HB# . 53820 1 352 . 1 . 1 55 55 ALA HB2 H 1 1.289 0.020 . 1 . . . . . 55 ALA HB# . 53820 1 353 . 1 . 1 55 55 ALA HB3 H 1 1.289 0.020 . 1 . . . . . 55 ALA HB# . 53820 1 354 . 1 . 1 55 55 ALA C C 13 178.532 0.3 . 1 . . . . . 55 ALA C . 53820 1 355 . 1 . 1 55 55 ALA CA C 13 54.754 0.3 . 1 . . . . . 55 ALA CA . 53820 1 356 . 1 . 1 55 55 ALA CB C 13 17.807 0.3 . 1 . . . . . 55 ALA CB . 53820 1 357 . 1 . 1 55 55 ALA N N 15 120.122 0.3 . 1 . . . . . 55 ALA N . 53820 1 358 . 1 . 1 56 56 SER H H 1 8.096 0.020 . 1 . . . . . 56 SER H . 53820 1 359 . 1 . 1 56 56 SER HA H 1 4.235 0.020 . 1 . . . . . 56 SER HA . 53820 1 360 . 1 . 1 56 56 SER HB2 H 1 3.863 0.020 . 1 . . . . . 56 SER HB2 . 53820 1 361 . 1 . 1 56 56 SER HB3 H 1 3.863 0.020 . 1 . . . . . 56 SER HB3 . 53820 1 362 . 1 . 1 56 56 SER C C 13 177.513 0.3 . 1 . . . . . 56 SER C . 53820 1 363 . 1 . 1 56 56 SER CA C 13 60.879 0.3 . 1 . . . . . 56 SER CA . 53820 1 364 . 1 . 1 56 56 SER CB C 13 62.974 0.3 . 1 . . . . . 56 SER CB . 53820 1 365 . 1 . 1 56 56 SER N N 15 112.710 0.3 . 1 . . . . . 56 SER N . 53820 1 366 . 1 . 1 57 57 GLU H H 1 7.449 0.020 . 1 . . . . . 57 GLU H . 53820 1 367 . 1 . 1 57 57 GLU HA H 1 3.908 0.020 . 1 . . . . . 57 GLU HA . 53820 1 368 . 1 . 1 57 57 GLU HB2 H 1 2.049 0.020 . 2 . . . . . 57 GLU HB2 . 53820 1 369 . 1 . 1 57 57 GLU HB3 H 1 2.032 0.020 . 2 . . . . . 57 GLU HB3 . 53820 1 370 . 1 . 1 57 57 GLU HG2 H 1 2.280 0.020 . 2 . . . . . 57 GLU HG2 . 53820 1 371 . 1 . 1 57 57 GLU HG3 H 1 2.266 0.020 . 2 . . . . . 57 GLU HG3 . 53820 1 372 . 1 . 1 57 57 GLU C C 13 179.034 0.3 . 1 . . . . . 57 GLU C . 53820 1 373 . 1 . 1 57 57 GLU CA C 13 59.388 0.3 . 1 . . . . . 57 GLU CA . 53820 1 374 . 1 . 1 57 57 GLU CB C 13 29.921 0.3 . 1 . . . . . 57 GLU CB . 53820 1 375 . 1 . 1 57 57 GLU CG C 13 36.350 0.3 . 1 . . . . . 57 GLU CG . 53820 1 376 . 1 . 1 57 57 GLU N N 15 119.558 0.3 . 1 . . . . . 57 GLU N . 53820 1 377 . 1 . 1 58 58 VAL H H 1 8.351 0.020 . 1 . . . . . 58 VAL H . 53820 1 378 . 1 . 1 58 58 VAL HA H 1 3.526 0.020 . 1 . . . . . 58 VAL HA . 53820 1 379 . 1 . 1 58 58 VAL HB H 1 1.617 0.020 . 1 . . . . . 58 VAL HB . 53820 1 380 . 1 . 1 58 58 VAL HG11 H 1 0.737 0.020 . 2 . . . . . 58 VAL QG1 . 53820 1 381 . 1 . 1 58 58 VAL HG12 H 1 0.737 0.020 . 2 . . . . . 58 VAL QG1 . 53820 1 382 . 1 . 1 58 58 VAL HG13 H 1 0.737 0.020 . 2 . . . . . 58 VAL QG1 . 53820 1 383 . 1 . 1 58 58 VAL HG21 H 1 0.713 0.020 . 2 . . . . . 58 VAL QG2 . 53820 1 384 . 1 . 1 58 58 VAL HG22 H 1 0.713 0.020 . 2 . . . . . 58 VAL QG2 . 53820 1 385 . 1 . 1 58 58 VAL HG23 H 1 0.713 0.020 . 2 . . . . . 58 VAL QG2 . 53820 1 386 . 1 . 1 58 58 VAL C C 13 178.000 0.3 . 1 . . . . . 58 VAL C . 53820 1 387 . 1 . 1 58 58 VAL CA C 13 65.957 0.3 . 1 . . . . . 58 VAL CA . 53820 1 388 . 1 . 1 58 58 VAL CB C 13 32.232 0.3 . 1 . . . . . 58 VAL CB . 53820 1 389 . 1 . 1 58 58 VAL CG1 C 13 22.929 0.3 . 1 . . . . . 58 VAL CG1 . 53820 1 390 . 1 . 1 58 58 VAL CG2 C 13 21.051 0.3 . 1 . . . . . 58 VAL CG2 . 53820 1 391 . 1 . 1 58 58 VAL N N 15 118.899 0.3 . 1 . . . . . 58 VAL N . 53820 1 392 . 1 . 1 59 59 LEU H H 1 8.462 0.020 . 1 . . . . . 59 LEU H . 53820 1 393 . 1 . 1 59 59 LEU C C 13 177.819 0.3 . 1 . . . . . 59 LEU C . 53820 1 394 . 1 . 1 59 59 LEU CA C 13 54.944 0.3 . 1 . . . . . 59 LEU CA . 53820 1 395 . 1 . 1 59 59 LEU CB C 13 41.424 0.3 . 1 . . . . . 59 LEU CB . 53820 1 396 . 1 . 1 59 59 LEU N N 15 114.705 0.3 . 1 . . . . . 59 LEU N . 53820 1 397 . 1 . 1 60 60 GLY H H 1 7.575 0.020 . 1 . . . . . 60 GLY H . 53820 1 398 . 1 . 1 60 60 GLY HA2 H 1 3.739 0.020 . 2 . . . . . 60 GLY HA2 . 53820 1 399 . 1 . 1 60 60 GLY HA3 H 1 3.690 0.020 . 2 . . . . . 60 GLY HA3 . 53820 1 400 . 1 . 1 60 60 GLY C C 13 174.248 0.3 . 1 . . . . . 60 GLY C . 53820 1 401 . 1 . 1 60 60 GLY CA C 13 46.756 0.3 . 1 . . . . . 60 GLY CA . 53820 1 402 . 1 . 1 60 60 GLY N N 15 108.651 0.3 . 1 . . . . . 60 GLY N . 53820 1 403 . 1 . 1 61 61 LYS H H 1 7.339 0.020 . 1 . . . . . 61 LYS H . 53820 1 404 . 1 . 1 61 61 LYS HA H 1 4.782 0.020 . 1 . . . . . 61 LYS HA . 53820 1 405 . 1 . 1 61 61 LYS HB2 H 1 1.502 0.020 . 2 . . . . . 61 LYS HB2 . 53820 1 406 . 1 . 1 61 61 LYS HB3 H 1 1.487 0.020 . 2 . . . . . 61 LYS HB3 . 53820 1 407 . 1 . 1 61 61 LYS HG2 H 1 1.186 0.020 . 2 . . . . . 61 LYS HG2 . 53820 1 408 . 1 . 1 61 61 LYS HG3 H 1 1.174 0.020 . 2 . . . . . 61 LYS HG3 . 53820 1 409 . 1 . 1 61 61 LYS HD2 H 1 1.492 0.020 . 2 . . . . . 61 LYS HD2 . 53820 1 410 . 1 . 1 61 61 LYS HD3 H 1 1.488 0.020 . 2 . . . . . 61 LYS HD3 . 53820 1 411 . 1 . 1 61 61 LYS HE2 H 1 2.835 0.020 . 2 . . . . . 61 LYS HE2 . 53820 1 412 . 1 . 1 61 61 LYS HE3 H 1 2.827 0.020 . 2 . . . . . 61 LYS HE3 . 53820 1 413 . 1 . 1 61 61 LYS C C 13 172.873 0.3 . 1 . . . . . 61 LYS C . 53820 1 414 . 1 . 1 61 61 LYS CA C 13 51.929 0.3 . 1 . . . . . 61 LYS CA . 53820 1 415 . 1 . 1 61 61 LYS CB C 13 35.733 0.3 . 1 . . . . . 61 LYS CB . 53820 1 416 . 1 . 1 61 61 LYS CG C 13 23.856 0.3 . 1 . . . . . 61 LYS CG . 53820 1 417 . 1 . 1 61 61 LYS CD C 13 29.337 0.3 . 1 . . . . . 61 LYS CD . 53820 1 418 . 1 . 1 61 61 LYS CE C 13 41.658 0.3 . 1 . . . . . 61 LYS CE . 53820 1 419 . 1 . 1 61 61 LYS N N 15 117.501 0.3 . 1 . . . . . 61 LYS N . 53820 1 420 . 1 . 1 62 62 PRO HA H 1 4.269 0.020 . 1 . . . . . 62 PRO HA . 53820 1 421 . 1 . 1 62 62 PRO HG2 H 1 2.037 0.020 . 2 . . . . . 62 PRO HG2 . 53820 1 422 . 1 . 1 62 62 PRO HG3 H 1 1.973 0.020 . 2 . . . . . 62 PRO HG3 . 53820 1 423 . 1 . 1 62 62 PRO HD2 H 1 3.572 0.020 . 2 . . . . . 62 PRO HD2 . 53820 1 424 . 1 . 1 62 62 PRO HD3 H 1 3.554 0.020 . 2 . . . . . 62 PRO HD3 . 53820 1 425 . 1 . 1 62 62 PRO C C 13 177.157 0.3 . 1 . . . . . 62 PRO C . 53820 1 426 . 1 . 1 62 62 PRO CA C 13 62.583 0.3 . 1 . . . . . 62 PRO CA . 53820 1 427 . 1 . 1 62 62 PRO CB C 13 32.595 0.3 . 1 . . . . . 62 PRO CB . 53820 1 428 . 1 . 1 62 62 PRO CG C 13 27.636 0.3 . 1 . . . . . 62 PRO CG . 53820 1 429 . 1 . 1 62 62 PRO CD C 13 50.599 0.3 . 1 . . . . . 62 PRO CD . 53820 1 430 . 1 . 1 63 63 ALA H H 1 8.987 0.020 . 1 . . . . . 63 ALA H . 53820 1 431 . 1 . 1 63 63 ALA HA H 1 4.291 0.020 . 1 . . . . . 63 ALA HA . 53820 1 432 . 1 . 1 63 63 ALA HB1 H 1 1.302 0.020 . 1 . . . . . 63 ALA HB# . 53820 1 433 . 1 . 1 63 63 ALA HB2 H 1 1.302 0.020 . 1 . . . . . 63 ALA HB# . 53820 1 434 . 1 . 1 63 63 ALA HB3 H 1 1.302 0.020 . 1 . . . . . 63 ALA HB# . 53820 1 435 . 1 . 1 63 63 ALA C C 13 179.095 0.3 . 1 . . . . . 63 ALA C . 53820 1 436 . 1 . 1 63 63 ALA CA C 13 55.833 0.3 . 1 . . . . . 63 ALA CA . 53820 1 437 . 1 . 1 63 63 ALA CB C 13 17.225 0.3 . 1 . . . . . 63 ALA CB . 53820 1 438 . 1 . 1 63 63 ALA N N 15 127.266 0.3 . 1 . . . . . 63 ALA N . 53820 1 439 . 1 . 1 64 64 GLU H H 1 9.312 0.020 . 1 . . . . . 64 GLU H . 53820 1 440 . 1 . 1 64 64 GLU HA H 1 3.743 0.020 . 1 . . . . . 64 GLU HA . 53820 1 441 . 1 . 1 64 64 GLU HB2 H 1 1.939 0.020 . 2 . . . . . 64 GLU HB2 . 53820 1 442 . 1 . 1 64 64 GLU HB3 H 1 1.922 0.020 . 2 . . . . . 64 GLU HB3 . 53820 1 443 . 1 . 1 64 64 GLU HG2 H 1 2.270 0.020 . 2 . . . . . 64 GLU HG2 . 53820 1 444 . 1 . 1 64 64 GLU HG3 H 1 2.250 0.020 . 2 . . . . . 64 GLU HG3 . 53820 1 445 . 1 . 1 64 64 GLU C C 13 177.772 0.3 . 1 . . . . . 64 GLU C . 53820 1 446 . 1 . 1 64 64 GLU CA C 13 60.785 0.3 . 1 . . . . . 64 GLU CA . 53820 1 447 . 1 . 1 64 64 GLU CB C 13 29.081 0.3 . 1 . . . . . 64 GLU CB . 53820 1 448 . 1 . 1 64 64 GLU CG C 13 36.348 0.3 . 1 . . . . . 64 GLU CG . 53820 1 449 . 1 . 1 64 64 GLU N N 15 114.578 0.3 . 1 . . . . . 64 GLU N . 53820 1 450 . 1 . 1 65 65 GLU H H 1 6.847 0.020 . 1 . . . . . 65 GLU H . 53820 1 451 . 1 . 1 65 65 GLU HA H 1 3.853 0.020 . 1 . . . . . 65 GLU HA . 53820 1 452 . 1 . 1 65 65 GLU HB2 H 1 1.978 0.020 . 2 . . . . . 65 GLU HB2 . 53820 1 453 . 1 . 1 65 65 GLU HB3 H 1 1.939 0.020 . 2 . . . . . 65 GLU HB3 . 53820 1 454 . 1 . 1 65 65 GLU HG2 H 1 2.267 0.020 . 2 . . . . . 65 GLU HG2 . 53820 1 455 . 1 . 1 65 65 GLU HG3 H 1 2.245 0.020 . 2 . . . . . 65 GLU HG3 . 53820 1 456 . 1 . 1 65 65 GLU CA C 13 59.261 0.3 . 1 . . . . . 65 GLU CA . 53820 1 457 . 1 . 1 65 65 GLU CB C 13 29.921 0.3 . 1 . . . . . 65 GLU CB . 53820 1 458 . 1 . 1 65 65 GLU CG C 13 36.652 0.3 . 1 . . . . . 65 GLU CG . 53820 1 459 . 1 . 1 65 65 GLU N N 15 115.692 0.3 . 1 . . . . . 65 GLU N . 53820 1 460 . 1 . 1 71 71 GLY C C 13 176.702 0.3 . 1 . . . . . 71 GLY C . 53820 1 461 . 1 . 1 72 72 GLU H H 1 7.345 0.020 . 1 . . . . . 72 GLU H . 53820 1 462 . 1 . 1 72 72 GLU C C 13 180.099 0.3 . 1 . . . . . 72 GLU C . 53820 1 463 . 1 . 1 72 72 GLU CA C 13 58.531 0.3 . 1 . . . . . 72 GLU CA . 53820 1 464 . 1 . 1 72 72 GLU CB C 13 26.560 0.3 . 1 . . . . . 72 GLU CB . 53820 1 465 . 1 . 1 72 72 GLU N N 15 119.276 0.3 . 1 . . . . . 72 GLU N . 53820 1 466 . 1 . 1 76 76 THR C C 13 175.378 0.3 . 1 . . . . . 76 THR C . 53820 1 467 . 1 . 1 76 76 THR CB C 13 68.156 0.3 . 1 . . . . . 76 THR CB . 53820 1 468 . 1 . 1 77 77 TYR H H 1 8.395 0.020 . 1 . . . . . 77 TYR H . 53820 1 469 . 1 . 1 77 77 TYR HA H 1 4.497 0.020 . 1 . . . . . 77 TYR HA . 53820 1 470 . 1 . 1 77 77 TYR C C 13 176.964 0.3 . 1 . . . . . 77 TYR C . 53820 1 471 . 1 . 1 77 77 TYR CA C 13 61.831 0.3 . 1 . . . . . 77 TYR CA . 53820 1 472 . 1 . 1 77 77 TYR CB C 13 38.604 0.3 . 1 . . . . . 77 TYR CB . 53820 1 473 . 1 . 1 77 77 TYR N N 15 124.245 0.3 . 1 . . . . . 77 TYR N . 53820 1 474 . 1 . 1 78 78 THR H H 1 7.282 0.020 . 1 . . . . . 78 THR H . 53820 1 475 . 1 . 1 78 78 THR C C 13 177.102 0.3 . 1 . . . . . 78 THR C . 53820 1 476 . 1 . 1 78 78 THR CA C 13 65.545 0.3 . 1 . . . . . 78 THR CA . 53820 1 477 . 1 . 1 78 78 THR CB C 13 68.016 0.3 . 1 . . . . . 78 THR CB . 53820 1 478 . 1 . 1 78 78 THR N N 15 105.873 0.3 . 1 . . . . . 78 THR N . 53820 1 479 . 1 . 1 79 79 SER H H 1 6.359 0.020 . 1 . . . . . 79 SER H . 53820 1 480 . 1 . 1 79 79 SER HA H 1 3.738 0.020 . 1 . . . . . 79 SER HA . 53820 1 481 . 1 . 1 79 79 SER HB2 H 1 3.851 0.020 . 1 . . . . . 79 SER HB2 . 53820 1 482 . 1 . 1 79 79 SER HB3 H 1 3.851 0.020 . 1 . . . . . 79 SER HB3 . 53820 1 483 . 1 . 1 79 79 SER C C 13 177.057 0.3 . 1 . . . . . 79 SER C . 53820 1 484 . 1 . 1 79 79 SER CA C 13 61.387 0.3 . 1 . . . . . 79 SER CA . 53820 1 485 . 1 . 1 79 79 SER CB C 13 62.974 0.3 . 1 . . . . . 79 SER CB . 53820 1 486 . 1 . 1 79 79 SER N N 15 114.487 0.3 . 1 . . . . . 79 SER N . 53820 1 487 . 1 . 1 80 80 GLU H H 1 7.774 0.020 . 1 . . . . . 80 GLU H . 53820 1 488 . 1 . 1 80 80 GLU HA H 1 3.962 0.020 . 1 . . . . . 80 GLU HA . 53820 1 489 . 1 . 1 80 80 GLU HB2 H 1 2.006 0.020 . 2 . . . . . 80 GLU HB2 . 53820 1 490 . 1 . 1 80 80 GLU HB3 H 1 1.994 0.020 . 2 . . . . . 80 GLU HB3 . 53820 1 491 . 1 . 1 80 80 GLU HG2 H 1 2.164 0.020 . 2 . . . . . 80 GLU HG2 . 53820 1 492 . 1 . 1 80 80 GLU HG3 H 1 2.160 0.020 . 2 . . . . . 80 GLU HG3 . 53820 1 493 . 1 . 1 80 80 GLU C C 13 178.319 0.3 . 1 . . . . . 80 GLU C . 53820 1 494 . 1 . 1 80 80 GLU CA C 13 58.213 0.3 . 1 . . . . . 80 GLU CA . 53820 1 495 . 1 . 1 80 80 GLU CB C 13 29.571 0.3 . 1 . . . . . 80 GLU CB . 53820 1 496 . 1 . 1 80 80 GLU CG C 13 36.408 0.3 . 1 . . . . . 80 GLU CG . 53820 1 497 . 1 . 1 80 80 GLU N N 15 120.891 0.3 . 1 . . . . . 80 GLU N . 53820 1 498 . 1 . 1 81 81 GLU H H 1 7.577 0.020 . 1 . . . . . 81 GLU H . 53820 1 499 . 1 . 1 81 81 GLU HA H 1 4.018 0.020 . 1 . . . . . 81 GLU HA . 53820 1 500 . 1 . 1 81 81 GLU HB2 H 1 2.102 0.020 . 2 . . . . . 81 GLU HB2 . 53820 1 501 . 1 . 1 81 81 GLU HB3 H 1 2.082 0.020 . 2 . . . . . 81 GLU HB3 . 53820 1 502 . 1 . 1 81 81 GLU C C 13 175.946 0.3 . 1 . . . . . 81 GLU C . 53820 1 503 . 1 . 1 81 81 GLU CA C 13 55.547 0.3 . 1 . . . . . 81 GLU CA . 53820 1 504 . 1 . 1 81 81 GLU CB C 13 28.443 0.3 . 1 . . . . . 81 GLU CB . 53820 1 505 . 1 . 1 81 81 GLU N N 15 116.639 0.3 . 1 . . . . . 81 GLU N . 53820 1 506 . 1 . 1 82 82 GLY H H 1 7.258 0.020 . 1 . . . . . 82 GLY H . 53820 1 507 . 1 . 1 82 82 GLY HA2 H 1 4.125 0.020 . 2 . . . . . 82 GLY HA2 . 53820 1 508 . 1 . 1 82 82 GLY HA3 H 1 4.073 0.020 . 2 . . . . . 82 GLY HA3 . 53820 1 509 . 1 . 1 82 82 GLY C C 13 175.870 0.3 . 1 . . . . . 82 GLY C . 53820 1 510 . 1 . 1 82 82 GLY CA C 13 45.391 0.3 . 1 . . . . . 82 GLY CA . 53820 1 511 . 1 . 1 82 82 GLY N N 15 103.069 0.3 . 1 . . . . . 82 GLY N . 53820 1 512 . 1 . 1 83 83 TYR H H 1 7.910 0.020 . 1 . . . . . 83 TYR H . 53820 1 513 . 1 . 1 83 83 TYR HA H 1 4.947 0.020 . 1 . . . . . 83 TYR HA . 53820 1 514 . 1 . 1 83 83 TYR C C 13 176.164 0.3 . 1 . . . . . 83 TYR C . 53820 1 515 . 1 . 1 83 83 TYR CA C 13 58.443 0.3 . 1 . . . . . 83 TYR CA . 53820 1 516 . 1 . 1 83 83 TYR CB C 13 36.994 0.3 . 1 . . . . . 83 TYR CB . 53820 1 517 . 1 . 1 83 83 TYR N N 15 117.931 0.3 . 1 . . . . . 83 TYR N . 53820 1 518 . 1 . 1 84 84 GLY H H 1 8.873 0.020 . 1 . . . . . 84 GLY H . 53820 1 519 . 1 . 1 84 84 GLY HA2 H 1 3.735 0.020 . 2 . . . . . 84 GLY HA2 . 53820 1 520 . 1 . 1 84 84 GLY HA3 H 1 3.691 0.020 . 2 . . . . . 84 GLY HA3 . 53820 1 521 . 1 . 1 84 84 GLY C C 13 176.722 0.3 . 1 . . . . . 84 GLY C . 53820 1 522 . 1 . 1 84 84 GLY CA C 13 48.089 0.3 . 1 . . . . . 84 GLY CA . 53820 1 523 . 1 . 1 84 84 GLY N N 15 109.893 0.3 . 1 . . . . . 84 GLY N . 53820 1 524 . 1 . 1 85 85 GLU H H 1 8.972 0.020 . 1 . . . . . 85 GLU H . 53820 1 525 . 1 . 1 85 85 GLU HA H 1 4.128 0.020 . 1 . . . . . 85 GLU HA . 53820 1 526 . 1 . 1 85 85 GLU HB2 H 1 1.995 0.020 . 2 . . . . . 85 GLU HB2 . 53820 1 527 . 1 . 1 85 85 GLU HB3 H 1 1.977 0.020 . 2 . . . . . 85 GLU HB3 . 53820 1 528 . 1 . 1 85 85 GLU HG2 H 1 2.297 0.020 . 2 . . . . . 85 GLU HG2 . 53820 1 529 . 1 . 1 85 85 GLU HG3 H 1 2.267 0.020 . 2 . . . . . 85 GLU HG3 . 53820 1 530 . 1 . 1 85 85 GLU C C 13 179.247 0.3 . 1 . . . . . 85 GLU C . 53820 1 531 . 1 . 1 85 85 GLU CA C 13 59.546 0.3 . 1 . . . . . 85 GLU CA . 53820 1 532 . 1 . 1 85 85 GLU CB C 13 28.731 0.3 . 1 . . . . . 85 GLU CB . 53820 1 533 . 1 . 1 85 85 GLU CG C 13 36.715 0.3 . 1 . . . . . 85 GLU CG . 53820 1 534 . 1 . 1 85 85 GLU N N 15 122.069 0.3 . 1 . . . . . 85 GLU N . 53820 1 535 . 1 . 1 86 86 LEU H H 1 7.601 0.020 . 1 . . . . . 86 LEU H . 53820 1 536 . 1 . 1 86 86 LEU HA H 1 4.063 0.020 . 1 . . . . . 86 LEU HA . 53820 1 537 . 1 . 1 86 86 LEU HB2 H 1 2.128 0.020 . 2 . . . . . 86 LEU HB2 . 53820 1 538 . 1 . 1 86 86 LEU HB3 H 1 2.098 0.020 . 2 . . . . . 86 LEU HB3 . 53820 1 539 . 1 . 1 86 86 LEU HG H 1 1.744 0.020 . 1 . . . . . 86 LEU HG . 53820 1 540 . 1 . 1 86 86 LEU HD11 H 1 1.077 0.020 . 2 . . . . . 86 LEU QD1 . 53820 1 541 . 1 . 1 86 86 LEU HD12 H 1 1.077 0.020 . 2 . . . . . 86 LEU QD1 . 53820 1 542 . 1 . 1 86 86 LEU HD13 H 1 1.077 0.020 . 2 . . . . . 86 LEU QD1 . 53820 1 543 . 1 . 1 86 86 LEU HD21 H 1 1.063 0.020 . 2 . . . . . 86 LEU QD2 . 53820 1 544 . 1 . 1 86 86 LEU HD22 H 1 1.063 0.020 . 2 . . . . . 86 LEU QD2 . 53820 1 545 . 1 . 1 86 86 LEU HD23 H 1 1.063 0.020 . 2 . . . . . 86 LEU QD2 . 53820 1 546 . 1 . 1 86 86 LEU C C 13 180.069 0.3 . 1 . . . . . 86 LEU C . 53820 1 547 . 1 . 1 86 86 LEU CA C 13 58.118 0.3 . 1 . . . . . 86 LEU CA . 53820 1 548 . 1 . 1 86 86 LEU CB C 13 41.616 0.3 . 1 . . . . . 86 LEU CB . 53820 1 549 . 1 . 1 86 86 LEU CG C 13 27.902 0.3 . 1 . . . . . 86 LEU CG . 53820 1 550 . 1 . 1 86 86 LEU CD1 C 13 25.408 0.3 . 1 . . . . . 86 LEU CD1 . 53820 1 551 . 1 . 1 86 86 LEU CD2 C 13 25.062 0.3 . 1 . . . . . 86 LEU CD2 . 53820 1 552 . 1 . 1 86 86 LEU N N 15 120.887 0.3 . 1 . . . . . 86 LEU N . 53820 1 553 . 1 . 1 87 87 LEU H H 1 7.882 0.020 . 1 . . . . . 87 LEU H . 53820 1 554 . 1 . 1 87 87 LEU C C 13 180.191 0.3 . 1 . . . . . 87 LEU C . 53820 1 555 . 1 . 1 87 87 LEU CA C 13 58.372 0.3 . 1 . . . . . 87 LEU CA . 53820 1 556 . 1 . 1 87 87 LEU CB C 13 43.086 0.3 . 1 . . . . . 87 LEU CB . 53820 1 557 . 1 . 1 87 87 LEU N N 15 117.929 0.3 . 1 . . . . . 87 LEU N . 53820 1 558 . 1 . 1 88 88 ALA H H 1 8.178 0.020 . 1 . . . . . 88 ALA H . 53820 1 559 . 1 . 1 88 88 ALA HA H 1 4.240 0.020 . 1 . . . . . 88 ALA HA . 53820 1 560 . 1 . 1 88 88 ALA HB1 H 1 1.445 0.020 . 1 . . . . . 88 ALA HB# . 53820 1 561 . 1 . 1 88 88 ALA HB2 H 1 1.445 0.020 . 1 . . . . . 88 ALA HB# . 53820 1 562 . 1 . 1 88 88 ALA HB3 H 1 1.445 0.020 . 1 . . . . . 88 ALA HB# . 53820 1 563 . 1 . 1 88 88 ALA C C 13 179.900 0.3 . 1 . . . . . 88 ALA C . 53820 1 564 . 1 . 1 88 88 ALA CA C 13 54.595 0.3 . 1 . . . . . 88 ALA CA . 53820 1 565 . 1 . 1 88 88 ALA CB C 13 18.157 0.3 . 1 . . . . . 88 ALA CB . 53820 1 566 . 1 . 1 88 88 ALA N N 15 120.136 0.3 . 1 . . . . . 88 ALA N . 53820 1 567 . 1 . 1 89 89 SER H H 1 7.795 0.020 . 1 . . . . . 89 SER H . 53820 1 568 . 1 . 1 89 89 SER HA H 1 4.172 0.020 . 1 . . . . . 89 SER HA . 53820 1 569 . 1 . 1 89 89 SER HB2 H 1 3.908 0.020 . 1 . . . . . 89 SER HB2 . 53820 1 570 . 1 . 1 89 89 SER HB3 H 1 3.908 0.020 . 1 . . . . . 89 SER HB3 . 53820 1 571 . 1 . 1 89 89 SER C C 13 174.440 0.3 . 1 . . . . . 89 SER C . 53820 1 572 . 1 . 1 89 89 SER CA C 13 60.118 0.3 . 1 . . . . . 89 SER CA . 53820 1 573 . 1 . 1 89 89 SER CB C 13 63.464 0.3 . 1 . . . . . 89 SER CB . 53820 1 574 . 1 . 1 89 89 SER N N 15 111.953 0.3 . 1 . . . . . 89 SER N . 53820 1 575 . 1 . 1 90 90 ALA H H 1 7.248 0.020 . 1 . . . . . 90 ALA H . 53820 1 576 . 1 . 1 90 90 ALA HA H 1 4.077 0.020 . 1 . . . . . 90 ALA HA . 53820 1 577 . 1 . 1 90 90 ALA HB1 H 1 1.010 0.020 . 1 . . . . . 90 ALA HB# . 53820 1 578 . 1 . 1 90 90 ALA HB2 H 1 1.010 0.020 . 1 . . . . . 90 ALA HB# . 53820 1 579 . 1 . 1 90 90 ALA HB3 H 1 1.010 0.020 . 1 . . . . . 90 ALA HB# . 53820 1 580 . 1 . 1 90 90 ALA C C 13 176.385 0.3 . 1 . . . . . 90 ALA C . 53820 1 581 . 1 . 1 90 90 ALA CA C 13 52.818 0.3 . 1 . . . . . 90 ALA CA . 53820 1 582 . 1 . 1 90 90 ALA CB C 13 18.927 0.3 . 1 . . . . . 90 ALA CB . 53820 1 583 . 1 . 1 90 90 ALA N N 15 123.148 0.3 . 1 . . . . . 90 ALA N . 53820 1 584 . 1 . 1 91 91 GLY H H 1 7.063 0.020 . 1 . . . . . 91 GLY H . 53820 1 585 . 1 . 1 91 91 GLY HA2 H 1 4.290 0.020 . 2 . . . . . 91 GLY HA2 . 53820 1 586 . 1 . 1 91 91 GLY HA3 H 1 4.233 0.020 . 2 . . . . . 91 GLY HA3 . 53820 1 587 . 1 . 1 91 91 GLY C C 13 172.721 0.3 . 1 . . . . . 91 GLY C . 53820 1 588 . 1 . 1 91 91 GLY CA C 13 45.232 0.3 . 1 . . . . . 91 GLY CA . 53820 1 589 . 1 . 1 91 91 GLY N N 15 101.376 0.3 . 1 . . . . . 91 GLY N . 53820 1 590 . 1 . 1 92 92 ASP H H 1 8.514 0.020 . 1 . . . . . 92 ASP H . 53820 1 591 . 1 . 1 92 92 ASP HA H 1 4.999 0.020 . 1 . . . . . 92 ASP HA . 53820 1 592 . 1 . 1 92 92 ASP HB2 H 1 2.816 0.020 . 2 . . . . . 92 ASP HB2 . 53820 1 593 . 1 . 1 92 92 ASP HB3 H 1 2.594 0.020 . 2 . . . . . 92 ASP HB3 . 53820 1 594 . 1 . 1 92 92 ASP C C 13 174.854 0.3 . 1 . . . . . 92 ASP C . 53820 1 595 . 1 . 1 92 92 ASP CA C 13 54.337 0.3 . 1 . . . . . 92 ASP CA . 53820 1 596 . 1 . 1 92 92 ASP CB C 13 42.236 0.3 . 1 . . . . . 92 ASP CB . 53820 1 597 . 1 . 1 92 92 ASP N N 15 118.144 0.3 . 1 . . . . . 92 ASP N . 53820 1 598 . 1 . 1 93 93 SER H H 1 7.333 0.020 . 1 . . . . . 93 SER H . 53820 1 599 . 1 . 1 93 93 SER HA H 1 4.015 0.020 . 1 . . . . . 93 SER HA . 53820 1 600 . 1 . 1 93 93 SER HB2 H 1 3.726 0.020 . 1 . . . . . 93 SER HB2 . 53820 1 601 . 1 . 1 93 93 SER HB3 H 1 3.726 0.020 . 1 . . . . . 93 SER HB3 . 53820 1 602 . 1 . 1 93 93 SER C C 13 171.976 0.3 . 1 . . . . . 93 SER C . 53820 1 603 . 1 . 1 93 93 SER CA C 13 56.023 0.3 . 1 . . . . . 93 SER CA . 53820 1 604 . 1 . 1 93 93 SER CB C 13 65.775 0.3 . 1 . . . . . 93 SER CB . 53820 1 605 . 1 . 1 93 93 SER N N 15 111.947 0.3 . 1 . . . . . 93 SER N . 53820 1 606 . 1 . 1 94 94 LEU H H 1 8.797 0.020 . 1 . . . . . 94 LEU H . 53820 1 607 . 1 . 1 94 94 LEU HA H 1 3.032 0.020 . 1 . . . . . 94 LEU HA . 53820 1 608 . 1 . 1 94 94 LEU C C 13 174.045 0.3 . 1 . . . . . 94 LEU C . 53820 1 609 . 1 . 1 94 94 LEU CA C 13 59.384 0.3 . 1 . . . . . 94 LEU CA . 53820 1 610 . 1 . 1 94 94 LEU CB C 13 38.885 0.3 . 1 . . . . . 94 LEU CB . 53820 1 611 . 1 . 1 94 94 LEU N N 15 120.847 0.3 . 1 . . . . . 94 LEU N . 53820 1 612 . 1 . 1 95 95 PRO HA H 1 3.865 0.020 . 1 . . . . . 95 PRO HA . 53820 1 613 . 1 . 1 95 95 PRO HB2 H 1 1.774 0.020 . 2 . . . . . 95 PRO HB2 . 53820 1 614 . 1 . 1 95 95 PRO HB3 H 1 1.769 0.020 . 2 . . . . . 95 PRO HB3 . 53820 1 615 . 1 . 1 95 95 PRO HG2 H 1 1.905 0.020 . 2 . . . . . 95 PRO HG2 . 53820 1 616 . 1 . 1 95 95 PRO HG3 H 1 1.895 0.020 . 2 . . . . . 95 PRO HG3 . 53820 1 617 . 1 . 1 95 95 PRO HD2 H 1 3.596 0.020 . 2 . . . . . 95 PRO HD2 . 53820 1 618 . 1 . 1 95 95 PRO HD3 H 1 3.568 0.020 . 2 . . . . . 95 PRO HD3 . 53820 1 619 . 1 . 1 95 95 PRO C C 13 177.653 0.3 . 1 . . . . . 95 PRO C . 53820 1 620 . 1 . 1 95 95 PRO CA C 13 66.326 0.3 . 1 . . . . . 95 PRO CA . 53820 1 621 . 1 . 1 95 95 PRO CB C 13 30.420 0.3 . 1 . . . . . 95 PRO CB . 53820 1 622 . 1 . 1 95 95 PRO CG C 13 28.213 0.3 . 1 . . . . . 95 PRO CG . 53820 1 623 . 1 . 1 95 95 PRO CD C 13 49.151 0.3 . 1 . . . . . 95 PRO CD . 53820 1 624 . 1 . 1 96 96 GLU H H 1 6.458 0.020 . 1 . . . . . 96 GLU H . 53820 1 625 . 1 . 1 96 96 GLU HA H 1 3.853 0.020 . 1 . . . . . 96 GLU HA . 53820 1 626 . 1 . 1 96 96 GLU HB2 H 1 1.962 0.020 . 2 . . . . . 96 GLU HB2 . 53820 1 627 . 1 . 1 96 96 GLU HB3 H 1 1.947 0.020 . 2 . . . . . 96 GLU HB3 . 53820 1 628 . 1 . 1 96 96 GLU HG2 H 1 2.179 0.020 . 2 . . . . . 96 GLU HG2 . 53820 1 629 . 1 . 1 96 96 GLU HG3 H 1 2.162 0.020 . 2 . . . . . 96 GLU HG3 . 53820 1 630 . 1 . 1 96 96 GLU C C 13 177.757 0.3 . 1 . . . . . 96 GLU C . 53820 1 631 . 1 . 1 96 96 GLU CA C 13 59.007 0.3 . 1 . . . . . 96 GLU CA . 53820 1 632 . 1 . 1 96 96 GLU CB C 13 30.795 0.3 . 1 . . . . . 96 GLU CB . 53820 1 633 . 1 . 1 96 96 GLU CG C 13 36.645 0.3 . 1 . . . . . 96 GLU CG . 53820 1 634 . 1 . 1 96 96 GLU N N 15 115.439 0.3 . 1 . . . . . 96 GLU N . 53820 1 635 . 1 . 1 97 97 PHE H H 1 8.153 0.020 . 1 . . . . . 97 PHE H . 53820 1 636 . 1 . 1 97 97 PHE HA H 1 4.072 0.020 . 1 . . . . . 97 PHE HA . 53820 1 637 . 1 . 1 97 97 PHE HB2 H 1 3.084 0.020 . 2 . . . . . 97 PHE HB2 . 53820 1 638 . 1 . 1 97 97 PHE HB3 H 1 2.741 0.020 . 2 . . . . . 97 PHE HB3 . 53820 1 639 . 1 . 1 97 97 PHE C C 13 178.745 0.3 . 1 . . . . . 97 PHE C . 53820 1 640 . 1 . 1 97 97 PHE CA C 13 60.974 0.3 . 1 . . . . . 97 PHE CA . 53820 1 641 . 1 . 1 97 97 PHE CB C 13 40.775 0.3 . 1 . . . . . 97 PHE CB . 53820 1 642 . 1 . 1 97 97 PHE N N 15 118.985 0.3 . 1 . . . . . 97 PHE N . 53820 1 643 . 1 . 1 98 98 MET H H 1 8.072 0.020 . 1 . . . . . 98 MET H . 53820 1 644 . 1 . 1 98 98 MET HA H 1 4.036 0.020 . 1 . . . . . 98 MET HA . 53820 1 645 . 1 . 1 98 98 MET HB2 H 1 2.104 0.020 . 2 . . . . . 98 MET HB2 . 53820 1 646 . 1 . 1 98 98 MET HB3 H 1 2.090 0.020 . 2 . . . . . 98 MET HB3 . 53820 1 647 . 1 . 1 98 98 MET HG2 H 1 2.644 0.020 . 2 . . . . . 98 MET HG2 . 53820 1 648 . 1 . 1 98 98 MET HG3 H 1 2.475 0.020 . 2 . . . . . 98 MET HG3 . 53820 1 649 . 1 . 1 98 98 MET C C 13 178.535 0.3 . 1 . . . . . 98 MET C . 53820 1 650 . 1 . 1 98 98 MET CA C 13 56.817 0.3 . 1 . . . . . 98 MET CA . 53820 1 651 . 1 . 1 98 98 MET CB C 13 31.078 0.3 . 1 . . . . . 98 MET CB . 53820 1 652 . 1 . 1 98 98 MET CG C 13 32.299 0.3 . 1 . . . . . 98 MET CG . 53820 1 653 . 1 . 1 98 98 MET N N 15 113.681 0.3 . 1 . . . . . 98 MET N . 53820 1 654 . 1 . 1 99 99 GLU H H 1 7.415 0.020 . 1 . . . . . 99 GLU H . 53820 1 655 . 1 . 1 99 99 GLU HA H 1 4.072 0.020 . 1 . . . . . 99 GLU HA . 53820 1 656 . 1 . 1 99 99 GLU HB2 H 1 1.994 0.020 . 2 . . . . . 99 GLU HB2 . 53820 1 657 . 1 . 1 99 99 GLU HB3 H 1 1.965 0.020 . 2 . . . . . 99 GLU HB3 . 53820 1 658 . 1 . 1 99 99 GLU HG2 H 1 2.566 0.020 . 2 . . . . . 99 GLU HG2 . 53820 1 659 . 1 . 1 99 99 GLU HG3 H 1 2.548 0.020 . 2 . . . . . 99 GLU HG3 . 53820 1 660 . 1 . 1 99 99 GLU C C 13 177.612 0.3 . 1 . . . . . 99 GLU C . 53820 1 661 . 1 . 1 99 99 GLU CA C 13 58.245 0.3 . 1 . . . . . 99 GLU CA . 53820 1 662 . 1 . 1 99 99 GLU CB C 13 29.851 0.3 . 1 . . . . . 99 GLU CB . 53820 1 663 . 1 . 1 99 99 GLU CG C 13 36.346 0.3 . 1 . . . . . 99 GLU CG . 53820 1 664 . 1 . 1 99 99 GLU N N 15 115.850 0.3 . 1 . . . . . 99 GLU N . 53820 1 665 . 1 . 1 100 100 ASN H H 1 7.504 0.020 . 1 . . . . . 100 ASN H . 53820 1 666 . 1 . 1 100 100 ASN HA H 1 4.946 0.020 . 1 . . . . . 100 ASN HA . 53820 1 667 . 1 . 1 100 100 ASN HB2 H 1 2.813 0.020 . 2 . . . . . 100 ASN HB2 . 53820 1 668 . 1 . 1 100 100 ASN HB3 H 1 2.783 0.020 . 2 . . . . . 100 ASN HB3 . 53820 1 669 . 1 . 1 100 100 ASN C C 13 175.627 0.3 . 1 . . . . . 100 ASN C . 53820 1 670 . 1 . 1 100 100 ASN CA C 13 53.230 0.3 . 1 . . . . . 100 ASN CA . 53820 1 671 . 1 . 1 100 100 ASN CB C 13 40.635 0.3 . 1 . . . . . 100 ASN CB . 53820 1 672 . 1 . 1 100 100 ASN N N 15 116.012 0.3 . 1 . . . . . 100 ASN N . 53820 1 673 . 1 . 1 101 101 LEU H H 1 7.016 0.020 . 1 . . . . . 101 LEU H . 53820 1 674 . 1 . 1 101 101 LEU HA H 1 3.306 0.020 . 1 . . . . . 101 LEU HA . 53820 1 675 . 1 . 1 101 101 LEU HB2 H 1 1.617 0.020 . 2 . . . . . 101 LEU HB2 . 53820 1 676 . 1 . 1 101 101 LEU HB3 H 1 1.611 0.020 . 2 . . . . . 101 LEU HB3 . 53820 1 677 . 1 . 1 101 101 LEU HG H 1 1.451 0.020 . 1 . . . . . 101 LEU HG . 53820 1 678 . 1 . 1 101 101 LEU HD11 H 1 0.507 0.020 . 2 . . . . . 101 LEU QD1 . 53820 1 679 . 1 . 1 101 101 LEU HD12 H 1 0.507 0.020 . 2 . . . . . 101 LEU QD1 . 53820 1 680 . 1 . 1 101 101 LEU HD13 H 1 0.507 0.020 . 2 . . . . . 101 LEU QD1 . 53820 1 681 . 1 . 1 101 101 LEU HD21 H 1 0.258 0.020 . 2 . . . . . 101 LEU QD2 . 53820 1 682 . 1 . 1 101 101 LEU HD22 H 1 0.258 0.020 . 2 . . . . . 101 LEU QD2 . 53820 1 683 . 1 . 1 101 101 LEU HD23 H 1 0.258 0.020 . 2 . . . . . 101 LEU QD2 . 53820 1 684 . 1 . 1 101 101 LEU C C 13 177.970 0.3 . 1 . . . . . 101 LEU C . 53820 1 685 . 1 . 1 101 101 LEU CA C 13 58.793 0.3 . 1 . . . . . 101 LEU CA . 53820 1 686 . 1 . 1 101 101 LEU CB C 13 41.826 0.3 . 1 . . . . . 101 LEU CB . 53820 1 687 . 1 . 1 101 101 LEU CG C 13 26.973 0.3 . 1 . . . . . 101 LEU CG . 53820 1 688 . 1 . 1 101 101 LEU CD1 C 13 25.403 0.3 . 1 . . . . . 101 LEU CD1 . 53820 1 689 . 1 . 1 101 101 LEU CD2 C 13 24.157 0.3 . 1 . . . . . 101 LEU CD2 . 53820 1 690 . 1 . 1 101 101 LEU N N 15 123.508 0.3 . 1 . . . . . 101 LEU N . 53820 1 691 . 1 . 1 102 102 ASP H H 1 8.751 0.020 . 1 . . . . . 102 ASP H . 53820 1 692 . 1 . 1 102 102 ASP HA H 1 4.118 0.020 . 1 . . . . . 102 ASP HA . 53820 1 693 . 1 . 1 102 102 ASP HB2 H 1 2.616 0.020 . 2 . . . . . 102 ASP HB2 . 53820 1 694 . 1 . 1 102 102 ASP HB3 H 1 2.599 0.020 . 2 . . . . . 102 ASP HB3 . 53820 1 695 . 1 . 1 102 102 ASP C C 13 179.831 0.3 . 1 . . . . . 102 ASP C . 53820 1 696 . 1 . 1 102 102 ASP CA C 13 57.134 0.3 . 1 . . . . . 102 ASP CA . 53820 1 697 . 1 . 1 102 102 ASP CB C 13 38.324 0.3 . 1 . . . . . 102 ASP CB . 53820 1 698 . 1 . 1 102 102 ASP N N 15 120.886 0.3 . 1 . . . . . 102 ASP N . 53820 1 699 . 1 . 1 103 103 ASN H H 1 7.898 0.020 . 1 . . . . . 103 ASN H . 53820 1 700 . 1 . 1 103 103 ASN HA H 1 4.127 0.020 . 1 . . . . . 103 ASN HA . 53820 1 701 . 1 . 1 103 103 ASN HB2 H 1 2.595 0.020 . 2 . . . . . 103 ASN HB2 . 53820 1 702 . 1 . 1 103 103 ASN HB3 H 1 2.583 0.020 . 2 . . . . . 103 ASN HB3 . 53820 1 703 . 1 . 1 103 103 ASN C C 13 177.042 0.3 . 1 . . . . . 103 ASN C . 53820 1 704 . 1 . 1 103 103 ASN CA C 13 55.642 0.3 . 1 . . . . . 103 ASN CA . 53820 1 705 . 1 . 1 103 103 ASN CB C 13 37.764 0.3 . 1 . . . . . 103 ASN CB . 53820 1 706 . 1 . 1 103 103 ASN N N 15 121.189 0.3 . 1 . . . . . 103 ASN N . 53820 1 707 . 1 . 1 104 104 LEU H H 1 8.005 0.020 . 1 . . . . . 104 LEU H . 53820 1 708 . 1 . 1 104 104 LEU HA H 1 3.526 0.020 . 1 . . . . . 104 LEU HA . 53820 1 709 . 1 . 1 104 104 LEU HB2 H 1 1.229 0.020 . 2 . . . . . 104 LEU HB2 . 53820 1 710 . 1 . 1 104 104 LEU HB3 H 1 0.969 0.020 . 2 . . . . . 104 LEU HB3 . 53820 1 711 . 1 . 1 104 104 LEU HG H 1 0.527 0.020 . 1 . . . . . 104 LEU HG . 53820 1 712 . 1 . 1 104 104 LEU HD11 H 1 0.628 0.020 . 2 . . . . . 104 LEU QD1 . 53820 1 713 . 1 . 1 104 104 LEU HD12 H 1 0.628 0.020 . 2 . . . . . 104 LEU QD1 . 53820 1 714 . 1 . 1 104 104 LEU HD13 H 1 0.628 0.020 . 2 . . . . . 104 LEU QD1 . 53820 1 715 . 1 . 1 104 104 LEU HD21 H 1 -0.179 0.020 . 2 . . . . . 104 LEU QD2 . 53820 1 716 . 1 . 1 104 104 LEU HD22 H 1 -0.179 0.020 . 2 . . . . . 104 LEU QD2 . 53820 1 717 . 1 . 1 104 104 LEU HD23 H 1 -0.179 0.020 . 2 . . . . . 104 LEU QD2 . 53820 1 718 . 1 . 1 104 104 LEU CA C 13 58.658 0.3 . 1 . . . . . 104 LEU CA . 53820 1 719 . 1 . 1 104 104 LEU CB C 13 40.635 0.3 . 1 . . . . . 104 LEU CB . 53820 1 720 . 1 . 1 104 104 LEU CG C 13 26.656 0.3 . 1 . . . . . 104 LEU CG . 53820 1 721 . 1 . 1 104 104 LEU CD1 C 13 25.091 0.3 . 1 . . . . . 104 LEU CD1 . 53820 1 722 . 1 . 1 104 104 LEU CD2 C 13 24.779 0.3 . 1 . . . . . 104 LEU CD2 . 53820 1 723 . 1 . 1 104 104 LEU N N 15 123.344 0.3 . 1 . . . . . 104 LEU N . 53820 1 724 . 1 . 1 105 105 HIS C C 13 176.385 0.3 . 1 . . . . . 105 HIS C . 53820 1 725 . 1 . 1 105 105 HIS CA C 13 62.244 0.3 . 1 . . . . . 105 HIS CA . 53820 1 726 . 1 . 1 105 105 HIS CB C 13 26.630 0.3 . 1 . . . . . 105 HIS CB . 53820 1 727 . 1 . 1 106 106 ALA H H 1 7.736 0.020 . 1 . . . . . 106 ALA H . 53820 1 728 . 1 . 1 106 106 ALA HA H 1 3.751 0.020 . 1 . . . . . 106 ALA HA . 53820 1 729 . 1 . 1 106 106 ALA HB1 H 1 1.174 0.020 . 1 . . . . . 106 ALA HB# . 53820 1 730 . 1 . 1 106 106 ALA HB2 H 1 1.174 0.020 . 1 . . . . . 106 ALA HB# . 53820 1 731 . 1 . 1 106 106 ALA HB3 H 1 1.174 0.020 . 1 . . . . . 106 ALA HB# . 53820 1 732 . 1 . 1 106 106 ALA C C 13 180.358 0.3 . 1 . . . . . 106 ALA C . 53820 1 733 . 1 . 1 106 106 ALA CA C 13 54.532 0.3 . 1 . . . . . 106 ALA CA . 53820 1 734 . 1 . 1 106 106 ALA CB C 13 17.316 0.3 . 1 . . . . . 106 ALA CB . 53820 1 735 . 1 . 1 106 106 ALA N N 15 123.973 0.3 . 1 . . . . . 106 ALA N . 53820 1 736 . 1 . 1 107 107 ARG H H 1 7.307 0.020 . 1 . . . . . 107 ARG H . 53820 1 737 . 1 . 1 107 107 ARG HA H 1 3.907 0.020 . 1 . . . . . 107 ARG HA . 53820 1 738 . 1 . 1 107 107 ARG HB2 H 1 1.775 0.020 . 2 . . . . . 107 ARG HB2 . 53820 1 739 . 1 . 1 107 107 ARG HB3 H 1 1.768 0.020 . 2 . . . . . 107 ARG HB3 . 53820 1 740 . 1 . 1 107 107 ARG HG2 H 1 1.662 0.020 . 2 . . . . . 107 ARG HG2 . 53820 1 741 . 1 . 1 107 107 ARG HG3 H 1 1.612 0.020 . 2 . . . . . 107 ARG HG3 . 53820 1 742 . 1 . 1 107 107 ARG HD2 H 1 2.980 0.020 . 2 . . . . . 107 ARG HD2 . 53820 1 743 . 1 . 1 107 107 ARG HD3 H 1 2.970 0.020 . 2 . . . . . 107 ARG HD3 . 53820 1 744 . 1 . 1 107 107 ARG C C 13 180.647 0.3 . 1 . . . . . 107 ARG C . 53820 1 745 . 1 . 1 107 107 ARG CA C 13 58.943 0.3 . 1 . . . . . 107 ARG CA . 53820 1 746 . 1 . 1 107 107 ARG CB C 13 29.431 0.3 . 1 . . . . . 107 ARG CB . 53820 1 747 . 1 . 1 107 107 ARG CG C 13 27.594 0.3 . 1 . . . . . 107 ARG CG . 53820 1 748 . 1 . 1 107 107 ARG CD C 13 43.217 0.3 . 1 . . . . . 107 ARG CD . 53820 1 749 . 1 . 1 107 107 ARG N N 15 118.473 0.3 . 1 . . . . . 107 ARG N . 53820 1 750 . 1 . 1 108 108 VAL H H 1 8.035 0.020 . 1 . . . . . 108 VAL H . 53820 1 751 . 1 . 1 108 108 VAL HA H 1 3.526 0.020 . 1 . . . . . 108 VAL HA . 53820 1 752 . 1 . 1 108 108 VAL HB H 1 1.775 0.020 . 1 . . . . . 108 VAL HB . 53820 1 753 . 1 . 1 108 108 VAL HG11 H 1 0.951 0.020 . 2 . . . . . 108 VAL QG1 . 53820 1 754 . 1 . 1 108 108 VAL HG12 H 1 0.951 0.020 . 2 . . . . . 108 VAL QG1 . 53820 1 755 . 1 . 1 108 108 VAL HG13 H 1 0.951 0.020 . 2 . . . . . 108 VAL QG1 . 53820 1 756 . 1 . 1 108 108 VAL HG21 H 1 0.921 0.020 . 2 . . . . . 108 VAL QG2 . 53820 1 757 . 1 . 1 108 108 VAL HG22 H 1 0.921 0.020 . 2 . . . . . 108 VAL QG2 . 53820 1 758 . 1 . 1 108 108 VAL HG23 H 1 0.921 0.020 . 2 . . . . . 108 VAL QG2 . 53820 1 759 . 1 . 1 108 108 VAL C C 13 178.591 0.3 . 1 . . . . . 108 VAL C . 53820 1 760 . 1 . 1 108 108 VAL CA C 13 66.783 0.3 . 1 . . . . . 108 VAL CA . 53820 1 761 . 1 . 1 108 108 VAL CB C 13 31.049 0.3 . 1 . . . . . 108 VAL CB . 53820 1 762 . 1 . 1 108 108 VAL CG1 C 13 22.916 0.3 . 1 . . . . . 108 VAL CG1 . 53820 1 763 . 1 . 1 108 108 VAL CG2 C 13 20.942 0.3 . 1 . . . . . 108 VAL CG2 . 53820 1 764 . 1 . 1 108 108 VAL N N 15 122.667 0.3 . 1 . . . . . 108 VAL N . 53820 1 765 . 1 . 1 109 109 GLY H H 1 8.053 0.020 . 1 . . . . . 109 GLY H . 53820 1 766 . 1 . 1 109 109 GLY HA2 H 1 3.792 0.020 . 2 . . . . . 109 GLY HA2 . 53820 1 767 . 1 . 1 109 109 GLY HA3 H 1 3.697 0.020 . 2 . . . . . 109 GLY HA3 . 53820 1 768 . 1 . 1 109 109 GLY C C 13 174.041 0.3 . 1 . . . . . 109 GLY C . 53820 1 769 . 1 . 1 109 109 GLY CA C 13 46.311 0.3 . 1 . . . . . 109 GLY CA . 53820 1 770 . 1 . 1 109 109 GLY N N 15 106.153 0.3 . 1 . . . . . 109 GLY N . 53820 1 771 . 1 . 1 110 110 LEU H H 1 7.199 0.020 . 1 . . . . . 110 LEU H . 53820 1 772 . 1 . 1 110 110 LEU HA H 1 4.076 0.020 . 1 . . . . . 110 LEU HA . 53820 1 773 . 1 . 1 110 110 LEU HB2 H 1 1.879 0.020 . 2 . . . . . 110 LEU HB2 . 53820 1 774 . 1 . 1 110 110 LEU HB3 H 1 1.461 0.020 . 2 . . . . . 110 LEU HB3 . 53820 1 775 . 1 . 1 110 110 LEU HG H 1 1.826 0.020 . 1 . . . . . 110 LEU HG . 53820 1 776 . 1 . 1 110 110 LEU HD11 H 1 0.873 0.020 . 2 . . . . . 110 LEU QD1 . 53820 1 777 . 1 . 1 110 110 LEU HD12 H 1 0.873 0.020 . 2 . . . . . 110 LEU QD1 . 53820 1 778 . 1 . 1 110 110 LEU HD13 H 1 0.873 0.020 . 2 . . . . . 110 LEU QD1 . 53820 1 779 . 1 . 1 110 110 LEU HD21 H 1 0.769 0.020 . 2 . . . . . 110 LEU QD2 . 53820 1 780 . 1 . 1 110 110 LEU HD22 H 1 0.769 0.020 . 2 . . . . . 110 LEU QD2 . 53820 1 781 . 1 . 1 110 110 LEU HD23 H 1 0.769 0.020 . 2 . . . . . 110 LEU QD2 . 53820 1 782 . 1 . 1 110 110 LEU C C 13 179.171 0.3 . 1 . . . . . 110 LEU C . 53820 1 783 . 1 . 1 110 110 LEU CA C 13 57.198 0.3 . 1 . . . . . 110 LEU CA . 53820 1 784 . 1 . 1 110 110 LEU CB C 13 41.335 0.3 . 1 . . . . . 110 LEU CB . 53820 1 785 . 1 . 1 110 110 LEU CG C 13 26.349 0.3 . 1 . . . . . 110 LEU CG . 53820 1 786 . 1 . 1 110 110 LEU CD1 C 13 25.091 0.3 . 1 . . . . . 110 LEU CD1 . 53820 1 787 . 1 . 1 110 110 LEU CD2 C 13 22.283 0.3 . 1 . . . . . 110 LEU CD2 . 53820 1 788 . 1 . 1 110 110 LEU N N 15 118.691 0.3 . 1 . . . . . 110 LEU N . 53820 1 789 . 1 . 1 111 111 SER H H 1 7.710 0.020 . 1 . . . . . 111 SER H . 53820 1 790 . 1 . 1 111 111 SER HA H 1 4.509 0.020 . 1 . . . . . 111 SER HA . 53820 1 791 . 1 . 1 111 111 SER HB2 H 1 3.939 0.020 . 2 . . . . . 111 SER HB2 . 53820 1 792 . 1 . 1 111 111 SER HB3 H 1 3.931 0.020 . 2 . . . . . 111 SER HB3 . 53820 1 793 . 1 . 1 111 111 SER C C 13 172.237 0.3 . 1 . . . . . 111 SER C . 53820 1 794 . 1 . 1 111 111 SER CA C 13 59.263 0.3 . 1 . . . . . 111 SER CA . 53820 1 795 . 1 . 1 111 111 SER CB C 13 64.272 0.3 . 1 . . . . . 111 SER CB . 53820 1 796 . 1 . 1 111 111 SER N N 15 111.614 0.3 . 1 . . . . . 111 SER N . 53820 1 797 . 1 . 1 112 112 PHE H H 1 7.565 0.020 . 1 . . . . . 112 PHE H . 53820 1 798 . 1 . 1 112 112 PHE C C 13 173.969 0.3 . 1 . . . . . 112 PHE C . 53820 1 799 . 1 . 1 112 112 PHE CA C 13 54.912 0.3 . 1 . . . . . 112 PHE CA . 53820 1 800 . 1 . 1 112 112 PHE CB C 13 40.215 0.3 . 1 . . . . . 112 PHE CB . 53820 1 801 . 1 . 1 112 112 PHE N N 15 120.360 0.3 . 1 . . . . . 112 PHE N . 53820 1 802 . 1 . 1 113 113 PRO HA H 1 4.552 0.020 . 1 . . . . . 113 PRO HA . 53820 1 803 . 1 . 1 113 113 PRO HB2 H 1 2.393 0.020 . 2 . . . . . 113 PRO HB2 . 53820 1 804 . 1 . 1 113 113 PRO HB3 H 1 2.379 0.020 . 2 . . . . . 113 PRO HB3 . 53820 1 805 . 1 . 1 113 113 PRO HG2 H 1 2.016 0.020 . 2 . . . . . 113 PRO HG2 . 53820 1 806 . 1 . 1 113 113 PRO HG3 H 1 1.989 0.020 . 2 . . . . . 113 PRO HG3 . 53820 1 807 . 1 . 1 113 113 PRO HD2 H 1 3.505 0.020 . 2 . . . . . 113 PRO HD2 . 53820 1 808 . 1 . 1 113 113 PRO HD3 H 1 3.487 0.020 . 2 . . . . . 113 PRO HD3 . 53820 1 809 . 1 . 1 113 113 PRO C C 13 178.025 0.3 . 1 . . . . . 113 PRO C . 53820 1 810 . 1 . 1 113 113 PRO CA C 13 65.373 0.3 . 1 . . . . . 113 PRO CA . 53820 1 811 . 1 . 1 113 113 PRO CB C 13 32.283 0.3 . 1 . . . . . 113 PRO CB . 53820 1 812 . 1 . 1 113 113 PRO CG C 13 27.304 0.3 . 1 . . . . . 113 PRO CG . 53820 1 813 . 1 . 1 113 113 PRO CD C 13 50.433 0.3 . 1 . . . . . 113 PRO CD . 53820 1 814 . 1 . 1 114 114 GLN H H 1 8.452 0.020 . 1 . . . . . 114 GLN H . 53820 1 815 . 1 . 1 114 114 GLN C C 13 175.931 0.3 . 1 . . . . . 114 GLN C . 53820 1 816 . 1 . 1 114 114 GLN CA C 13 54.950 0.3 . 1 . . . . . 114 GLN CA . 53820 1 817 . 1 . 1 114 114 GLN CB C 13 27.540 0.3 . 1 . . . . . 114 GLN CB . 53820 1 818 . 1 . 1 114 114 GLN N N 15 114.513 0.3 . 1 . . . . . 114 GLN N . 53820 1 819 . 1 . 1 115 115 LEU H H 1 7.883 0.020 . 1 . . . . . 115 LEU H . 53820 1 820 . 1 . 1 115 115 LEU HA H 1 4.072 0.020 . 1 . . . . . 115 LEU HA . 53820 1 821 . 1 . 1 115 115 LEU HB2 H 1 2.376 0.020 . 1 . . . . . 115 LEU HB2 . 53820 1 822 . 1 . 1 115 115 LEU HD11 H 1 0.776 0.020 . 2 . . . . . 115 LEU QD1 . 53820 1 823 . 1 . 1 115 115 LEU HD12 H 1 0.776 0.020 . 2 . . . . . 115 LEU QD1 . 53820 1 824 . 1 . 1 115 115 LEU HD13 H 1 0.776 0.020 . 2 . . . . . 115 LEU QD1 . 53820 1 825 . 1 . 1 115 115 LEU HD21 H 1 0.764 0.020 . 2 . . . . . 115 LEU QD2 . 53820 1 826 . 1 . 1 115 115 LEU HD22 H 1 0.764 0.020 . 2 . . . . . 115 LEU QD2 . 53820 1 827 . 1 . 1 115 115 LEU HD23 H 1 0.764 0.020 . 2 . . . . . 115 LEU QD2 . 53820 1 828 . 1 . 1 115 115 LEU C C 13 176.174 0.3 . 1 . . . . . 115 LEU C . 53820 1 829 . 1 . 1 115 115 LEU CA C 13 56.912 0.3 . 1 . . . . . 115 LEU CA . 53820 1 830 . 1 . 1 115 115 LEU CB C 13 42.725 0.3 . 1 . . . . . 115 LEU CB . 53820 1 831 . 1 . 1 115 115 LEU CD1 C 13 22.695 0.3 . 1 . . . . . 115 LEU CD1 . 53820 1 832 . 1 . 1 115 115 LEU CD2 C 13 22.612 0.3 . 1 . . . . . 115 LEU CD2 . 53820 1 833 . 1 . 1 115 115 LEU N N 15 124.012 0.3 . 1 . . . . . 115 LEU N . 53820 1 834 . 1 . 1 116 116 ARG H H 1 9.518 0.020 . 1 . . . . . 116 ARG H . 53820 1 835 . 1 . 1 116 116 ARG CA C 13 52.754 0.3 . 1 . . . . . 116 ARG CA . 53820 1 836 . 1 . 1 116 116 ARG CB C 13 31.602 0.3 . 1 . . . . . 116 ARG CB . 53820 1 837 . 1 . 1 116 116 ARG N N 15 129.172 0.3 . 1 . . . . . 116 ARG N . 53820 1 838 . 1 . 1 119 119 ALA C C 13 175.489 0.3 . 1 . . . . . 119 ALA C . 53820 1 839 . 1 . 1 119 119 ALA CA C 13 55.388 0.3 . 1 . . . . . 119 ALA CA . 53820 1 840 . 1 . 1 120 120 PHE H H 1 10.117 0.020 . 1 . . . . . 120 PHE H . 53820 1 841 . 1 . 1 120 120 PHE C C 13 174.855 0.3 . 1 . . . . . 120 PHE C . 53820 1 842 . 1 . 1 120 120 PHE CA C 13 56.309 0.3 . 1 . . . . . 120 PHE CA . 53820 1 843 . 1 . 1 120 120 PHE CB C 13 43.506 0.3 . 1 . . . . . 120 PHE CB . 53820 1 844 . 1 . 1 120 120 PHE N N 15 123.785 0.3 . 1 . . . . . 120 PHE N . 53820 1 845 . 1 . 1 121 121 GLU H H 1 8.559 0.020 . 1 . . . . . 121 GLU H . 53820 1 846 . 1 . 1 121 121 GLU HA H 1 4.564 0.020 . 1 . . . . . 121 GLU HA . 53820 1 847 . 1 . 1 121 121 GLU C C 13 174.775 0.3 . 1 . . . . . 121 GLU C . 53820 1 848 . 1 . 1 121 121 GLU CA C 13 55.008 0.3 . 1 . . . . . 121 GLU CA . 53820 1 849 . 1 . 1 121 121 GLU CB C 13 31.112 0.3 . 1 . . . . . 121 GLU CB . 53820 1 850 . 1 . 1 121 121 GLU N N 15 121.154 0.3 . 1 . . . . . 121 GLU N . 53820 1 851 . 1 . 1 122 122 CYS H H 1 9.193 0.020 . 1 . . . . . 122 CYS H . 53820 1 852 . 1 . 1 122 122 CYS HA H 1 5.162 0.020 . 1 . . . . . 122 CYS HA . 53820 1 853 . 1 . 1 122 122 CYS HB2 H 1 2.515 0.020 . 2 . . . . . 122 CYS HB2 . 53820 1 854 . 1 . 1 122 122 CYS HB3 H 1 2.507 0.020 . 2 . . . . . 122 CYS HB3 . 53820 1 855 . 1 . 1 122 122 CYS C C 13 173.649 0.3 . 1 . . . . . 122 CYS C . 53820 1 856 . 1 . 1 122 122 CYS CA C 13 57.356 0.3 . 1 . . . . . 122 CYS CA . 53820 1 857 . 1 . 1 122 122 CYS CB C 13 29.291 0.3 . 1 . . . . . 122 CYS CB . 53820 1 858 . 1 . 1 122 122 CYS N N 15 126.105 0.3 . 1 . . . . . 122 CYS N . 53820 1 859 . 1 . 1 123 123 GLN H H 1 9.008 0.020 . 1 . . . . . 123 GLN H . 53820 1 860 . 1 . 1 123 123 GLN C C 13 173.649 0.3 . 1 . . . . . 123 GLN C . 53820 1 861 . 1 . 1 123 123 GLN CA C 13 53.992 0.3 . 1 . . . . . 123 GLN CA . 53820 1 862 . 1 . 1 123 123 GLN CB C 13 30.621 0.3 . 1 . . . . . 123 GLN CB . 53820 1 863 . 1 . 1 123 123 GLN N N 15 125.116 0.3 . 1 . . . . . 123 GLN N . 53820 1 864 . 1 . 1 124 124 HIS C C 13 176.302 0.3 . 1 . . . . . 124 HIS C . 53820 1 865 . 1 . 1 124 124 HIS CA C 13 57.515 0.3 . 1 . . . . . 124 HIS CA . 53820 1 866 . 1 . 1 124 124 HIS CB C 13 30.341 0.3 . 1 . . . . . 124 HIS CB . 53820 1 867 . 1 . 1 125 125 THR H H 1 8.374 0.020 . 1 . . . . . 125 THR H . 53820 1 868 . 1 . 1 125 125 THR HA H 1 4.728 0.020 . 1 . . . . . 125 THR HA . 53820 1 869 . 1 . 1 125 125 THR HB H 1 4.307 0.020 . 1 . . . . . 125 THR HB . 53820 1 870 . 1 . 1 125 125 THR HG21 H 1 1.133 0.020 . 1 . . . . . 125 THR QG2 . 53820 1 871 . 1 . 1 125 125 THR HG22 H 1 1.133 0.020 . 1 . . . . . 125 THR QG2 . 53820 1 872 . 1 . 1 125 125 THR HG23 H 1 1.133 0.020 . 1 . . . . . 125 THR QG2 . 53820 1 873 . 1 . 1 125 125 THR C C 13 174.606 0.3 . 1 . . . . . 125 THR C . 53820 1 874 . 1 . 1 125 125 THR CA C 13 62.085 0.3 . 1 . . . . . 125 THR CA . 53820 1 875 . 1 . 1 125 125 THR CB C 13 69.626 0.3 . 1 . . . . . 125 THR CB . 53820 1 876 . 1 . 1 125 125 THR CG2 C 13 21.934 0.3 . 1 . . . . . 125 THR CG2 . 53820 1 877 . 1 . 1 125 125 THR N N 15 115.425 0.3 . 1 . . . . . 125 THR N . 53820 1 878 . 1 . 1 126 126 SER H H 1 8.482 0.020 . 1 . . . . . 126 SER H . 53820 1 879 . 1 . 1 126 126 SER HA H 1 4.538 0.020 . 1 . . . . . 126 SER HA . 53820 1 880 . 1 . 1 126 126 SER HB2 H 1 4.108 0.020 . 1 . . . . . 126 SER HB2 . 53820 1 881 . 1 . 1 126 126 SER HB3 H 1 4.108 0.020 . 1 . . . . . 126 SER HB3 . 53820 1 882 . 1 . 1 126 126 SER C C 13 173.969 0.3 . 1 . . . . . 126 SER C . 53820 1 883 . 1 . 1 126 126 SER CA C 13 58.531 0.3 . 1 . . . . . 126 SER CA . 53820 1 884 . 1 . 1 126 126 SER CB C 13 64.444 0.3 . 1 . . . . . 126 SER CB . 53820 1 885 . 1 . 1 126 126 SER N N 15 115.209 0.3 . 1 . . . . . 126 SER N . 53820 1 886 . 1 . 1 127 127 SER C C 13 173.628 0.3 . 1 . . . . . 127 SER C . 53820 1 887 . 1 . 1 127 127 SER CA C 13 60.657 0.3 . 1 . . . . . 127 SER CA . 53820 1 888 . 1 . 1 127 127 SER CB C 13 62.974 0.3 . 1 . . . . . 127 SER CB . 53820 1 889 . 1 . 1 128 128 LYS H H 1 7.932 0.020 . 1 . . . . . 128 LYS H . 53820 1 890 . 1 . 1 128 128 LYS HA H 1 3.907 0.020 . 1 . . . . . 128 LYS HA . 53820 1 891 . 1 . 1 128 128 LYS HB2 H 1 1.938 0.020 . 2 . . . . . 128 LYS HB2 . 53820 1 892 . 1 . 1 128 128 LYS HB3 H 1 1.915 0.020 . 2 . . . . . 128 LYS HB3 . 53820 1 893 . 1 . 1 128 128 LYS HG2 H 1 1.156 0.020 . 2 . . . . . 128 LYS HG2 . 53820 1 894 . 1 . 1 128 128 LYS HG3 H 1 1.140 0.020 . 2 . . . . . 128 LYS HG3 . 53820 1 895 . 1 . 1 128 128 LYS HD2 H 1 1.461 0.020 . 2 . . . . . 128 LYS HD2 . 53820 1 896 . 1 . 1 128 128 LYS HD3 H 1 1.449 0.020 . 2 . . . . . 128 LYS HD3 . 53820 1 897 . 1 . 1 128 128 LYS HE2 H 1 2.857 0.020 . 2 . . . . . 128 LYS HE2 . 53820 1 898 . 1 . 1 128 128 LYS HE3 H 1 2.807 0.020 . 2 . . . . . 128 LYS HE3 . 53820 1 899 . 1 . 1 128 128 LYS C C 13 174.440 0.3 . 1 . . . . . 128 LYS C . 53820 1 900 . 1 . 1 128 128 LYS CA C 13 54.849 0.3 . 1 . . . . . 128 LYS CA . 53820 1 901 . 1 . 1 128 128 LYS CB C 13 33.072 0.3 . 1 . . . . . 128 LYS CB . 53820 1 902 . 1 . 1 128 128 LYS CG C 13 24.467 0.3 . 1 . . . . . 128 LYS CG . 53820 1 903 . 1 . 1 128 128 LYS CD C 13 29.161 0.3 . 1 . . . . . 128 LYS CD . 53820 1 904 . 1 . 1 128 128 LYS CE C 13 42.286 0.3 . 1 . . . . . 128 LYS CE . 53820 1 905 . 1 . 1 128 128 LYS N N 15 116.599 0.3 . 1 . . . . . 128 LYS N . 53820 1 906 . 1 . 1 129 129 SER H H 1 7.331 0.020 . 1 . . . . . 129 SER H . 53820 1 907 . 1 . 1 129 129 SER HA H 1 5.488 0.020 . 1 . . . . . 129 SER HA . 53820 1 908 . 1 . 1 129 129 SER C C 13 173.467 0.3 . 1 . . . . . 129 SER C . 53820 1 909 . 1 . 1 129 129 SER CA C 13 57.483 0.3 . 1 . . . . . 129 SER CA . 53820 1 910 . 1 . 1 129 129 SER CB C 13 66.615 0.3 . 1 . . . . . 129 SER CB . 53820 1 911 . 1 . 1 129 129 SER N N 15 111.316 0.3 . 1 . . . . . 129 SER N . 53820 1 912 . 1 . 1 130 130 MET H H 1 9.263 0.020 . 1 . . . . . 130 MET H . 53820 1 913 . 1 . 1 130 130 MET HA H 1 5.276 0.020 . 1 . . . . . 130 MET HA . 53820 1 914 . 1 . 1 130 130 MET HB2 H 1 1.747 0.020 . 2 . . . . . 130 MET HB2 . 53820 1 915 . 1 . 1 130 130 MET HB3 H 1 1.735 0.020 . 2 . . . . . 130 MET HB3 . 53820 1 916 . 1 . 1 130 130 MET HG2 H 1 2.421 0.020 . 2 . . . . . 130 MET HG2 . 53820 1 917 . 1 . 1 130 130 MET HG3 H 1 2.294 0.020 . 2 . . . . . 130 MET HG3 . 53820 1 918 . 1 . 1 130 130 MET C C 13 173.619 0.3 . 1 . . . . . 130 MET C . 53820 1 919 . 1 . 1 130 130 MET CA C 13 54.881 0.3 . 1 . . . . . 130 MET CA . 53820 1 920 . 1 . 1 130 130 MET CB C 13 37.798 0.3 . 1 . . . . . 130 MET CB . 53820 1 921 . 1 . 1 130 130 MET CG C 13 31.905 0.3 . 1 . . . . . 130 MET CG . 53820 1 922 . 1 . 1 130 130 MET N N 15 119.109 0.3 . 1 . . . . . 130 MET N . 53820 1 923 . 1 . 1 131 131 GLU H H 1 9.274 0.020 . 1 . . . . . 131 GLU H . 53820 1 924 . 1 . 1 131 131 GLU HA H 1 5.163 0.020 . 1 . . . . . 131 GLU HA . 53820 1 925 . 1 . 1 131 131 GLU HB2 H 1 1.954 0.020 . 2 . . . . . 131 GLU HB2 . 53820 1 926 . 1 . 1 131 131 GLU HB3 H 1 1.939 0.020 . 2 . . . . . 131 GLU HB3 . 53820 1 927 . 1 . 1 131 131 GLU HG2 H 1 2.146 0.020 . 2 . . . . . 131 GLU HG2 . 53820 1 928 . 1 . 1 131 131 GLU HG3 H 1 2.128 0.020 . 2 . . . . . 131 GLU HG3 . 53820 1 929 . 1 . 1 131 131 GLU C C 13 174.395 0.3 . 1 . . . . . 131 GLU C . 53820 1 930 . 1 . 1 131 131 GLU CA C 13 54.912 0.3 . 1 . . . . . 131 GLU CA . 53820 1 931 . 1 . 1 131 131 GLU CB C 13 32.722 0.3 . 1 . . . . . 131 GLU CB . 53820 1 932 . 1 . 1 131 131 GLU CG C 13 37.267 0.3 . 1 . . . . . 131 GLU CG . 53820 1 933 . 1 . 1 131 131 GLU N N 15 121.698 0.3 . 1 . . . . . 131 GLU N . 53820 1 934 . 1 . 1 132 132 LEU H H 1 9.588 0.020 . 1 . . . . . 132 LEU H . 53820 1 935 . 1 . 1 132 132 LEU HA H 1 5.220 0.020 . 1 . . . . . 132 LEU HA . 53820 1 936 . 1 . 1 132 132 LEU HB2 H 1 2.150 0.020 . 2 . . . . . 132 LEU HB2 . 53820 1 937 . 1 . 1 132 132 LEU HB3 H 1 2.121 0.020 . 2 . . . . . 132 LEU HB3 . 53820 1 938 . 1 . 1 132 132 LEU HG H 1 1.678 0.020 . 1 . . . . . 132 LEU HG . 53820 1 939 . 1 . 1 132 132 LEU HD11 H 1 0.983 0.020 . 2 . . . . . 132 LEU QD1 . 53820 1 940 . 1 . 1 132 132 LEU HD12 H 1 0.983 0.020 . 2 . . . . . 132 LEU QD1 . 53820 1 941 . 1 . 1 132 132 LEU HD13 H 1 0.983 0.020 . 2 . . . . . 132 LEU QD1 . 53820 1 942 . 1 . 1 132 132 LEU HD21 H 1 0.962 0.020 . 2 . . . . . 132 LEU QD2 . 53820 1 943 . 1 . 1 132 132 LEU HD22 H 1 0.962 0.020 . 2 . . . . . 132 LEU QD2 . 53820 1 944 . 1 . 1 132 132 LEU HD23 H 1 0.962 0.020 . 2 . . . . . 132 LEU QD2 . 53820 1 945 . 1 . 1 132 132 LEU C C 13 174.364 0.3 . 1 . . . . . 132 LEU C . 53820 1 946 . 1 . 1 132 132 LEU CA C 13 53.198 0.3 . 1 . . . . . 132 LEU CA . 53820 1 947 . 1 . 1 132 132 LEU CB C 13 46.893 0.3 . 1 . . . . . 132 LEU CB . 53820 1 948 . 1 . 1 132 132 LEU CG C 13 27.146 0.3 . 1 . . . . . 132 LEU CG . 53820 1 949 . 1 . 1 132 132 LEU CD1 C 13 24.158 0.3 . 1 . . . . . 132 LEU CD1 . 53820 1 950 . 1 . 1 132 132 LEU CD2 C 13 23.965 0.3 . 1 . . . . . 132 LEU CD2 . 53820 1 951 . 1 . 1 132 132 LEU N N 15 126.302 0.3 . 1 . . . . . 132 LEU N . 53820 1 952 . 1 . 1 133 133 HIS H H 1 9.810 0.020 . 1 . . . . . 133 HIS H . 53820 1 953 . 1 . 1 133 133 HIS HA H 1 4.918 0.020 . 1 . . . . . 133 HIS HA . 53820 1 954 . 1 . 1 133 133 HIS HB2 H 1 3.306 0.020 . 2 . . . . . 133 HIS HB2 . 53820 1 955 . 1 . 1 133 133 HIS HB3 H 1 3.252 0.020 . 2 . . . . . 133 HIS HB3 . 53820 1 956 . 1 . 1 133 133 HIS C C 13 174.090 0.3 . 1 . . . . . 133 HIS C . 53820 1 957 . 1 . 1 133 133 HIS CA C 13 55.865 0.3 . 1 . . . . . 133 HIS CA . 53820 1 958 . 1 . 1 133 133 HIS CB C 13 31.812 0.3 . 1 . . . . . 133 HIS CB . 53820 1 959 . 1 . 1 133 133 HIS N N 15 128.607 0.3 . 1 . . . . . 133 HIS N . 53820 1 960 . 1 . 1 134 134 TYR H H 1 8.757 0.020 . 1 . . . . . 134 TYR H . 53820 1 961 . 1 . 1 134 134 TYR C C 13 173.162 0.3 . 1 . . . . . 134 TYR C . 53820 1 962 . 1 . 1 134 134 TYR CA C 13 54.690 0.3 . 1 . . . . . 134 TYR CA . 53820 1 963 . 1 . 1 134 134 TYR CB C 13 41.718 0.3 . 1 . . . . . 134 TYR CB . 53820 1 964 . 1 . 1 134 134 TYR N N 15 126.467 0.3 . 1 . . . . . 134 TYR N . 53820 1 965 . 1 . 1 135 135 GLN H H 1 8.902 0.020 . 1 . . . . . 135 GLN H . 53820 1 966 . 1 . 1 135 135 GLN HA H 1 4.291 0.020 . 1 . . . . . 135 GLN HA . 53820 1 967 . 1 . 1 135 135 GLN HB2 H 1 1.521 0.020 . 2 . . . . . 135 GLN HB2 . 53820 1 968 . 1 . 1 135 135 GLN HB3 H 1 1.517 0.020 . 2 . . . . . 135 GLN HB3 . 53820 1 969 . 1 . 1 135 135 GLN HG2 H 1 1.764 0.020 . 2 . . . . . 135 GLN HG2 . 53820 1 970 . 1 . 1 135 135 GLN HG3 H 1 1.746 0.020 . 2 . . . . . 135 GLN HG3 . 53820 1 971 . 1 . 1 135 135 GLN C C 13 172.965 0.3 . 1 . . . . . 135 GLN C . 53820 1 972 . 1 . 1 135 135 GLN CA C 13 54.214 0.3 . 1 . . . . . 135 GLN CA . 53820 1 973 . 1 . 1 135 135 GLN CB C 13 31.672 0.3 . 1 . . . . . 135 GLN CB . 53820 1 974 . 1 . 1 135 135 GLN CG C 13 33.539 0.3 . 1 . . . . . 135 GLN CG . 53820 1 975 . 1 . 1 135 135 GLN N N 15 128.798 0.3 . 1 . . . . . 135 GLN N . 53820 1 976 . 1 . 1 136 136 SER H H 1 8.294 0.020 . 1 . . . . . 136 SER H . 53820 1 977 . 1 . 1 136 136 SER HA H 1 4.508 0.020 . 1 . . . . . 136 SER HA . 53820 1 978 . 1 . 1 136 136 SER C C 13 174.760 0.3 . 1 . . . . . 136 SER C . 53820 1 979 . 1 . 1 136 136 SER CA C 13 56.404 0.3 . 1 . . . . . 136 SER CA . 53820 1 980 . 1 . 1 136 136 SER CB C 13 64.654 0.3 . 1 . . . . . 136 SER CB . 53820 1 981 . 1 . 1 136 136 SER N N 15 116.202 0.3 . 1 . . . . . 136 SER N . 53820 1 982 . 1 . 1 137 137 THR H H 1 8.719 0.020 . 1 . . . . . 137 THR H . 53820 1 983 . 1 . 1 137 137 THR C C 13 174.689 0.3 . 1 . . . . . 137 THR C . 53820 1 984 . 1 . 1 137 137 THR CA C 13 62.847 0.3 . 1 . . . . . 137 THR CA . 53820 1 985 . 1 . 1 137 137 THR CB C 13 69.766 0.3 . 1 . . . . . 137 THR CB . 53820 1 986 . 1 . 1 137 137 THR N N 15 116.925 0.3 . 1 . . . . . 137 THR N . 53820 1 987 . 1 . 1 138 138 ARG H H 1 9.494 0.020 . 1 . . . . . 138 ARG H . 53820 1 988 . 1 . 1 138 138 ARG HA H 1 4.514 0.020 . 1 . . . . . 138 ARG HA . 53820 1 989 . 1 . 1 138 138 ARG C C 13 175.916 0.3 . 1 . . . . . 138 ARG C . 53820 1 990 . 1 . 1 138 138 ARG CA C 13 55.642 0.3 . 1 . . . . . 138 ARG CA . 53820 1 991 . 1 . 1 138 138 ARG CB C 13 32.232 0.3 . 1 . . . . . 138 ARG CB . 53820 1 992 . 1 . 1 138 138 ARG CG C 13 30.108 0.3 . 1 . . . . . 138 ARG CG . 53820 1 993 . 1 . 1 138 138 ARG CD C 13 43.849 0.3 . 1 . . . . . 138 ARG CD . 53820 1 994 . 1 . 1 138 138 ARG N N 15 124.578 0.3 . 1 . . . . . 138 ARG N . 53820 1 995 . 1 . 1 139 139 ALA H H 1 8.559 0.020 . 1 . . . . . 139 ALA H . 53820 1 996 . 1 . 1 139 139 ALA HA H 1 4.565 0.020 . 1 . . . . . 139 ALA HA . 53820 1 997 . 1 . 1 139 139 ALA HB1 H 1 1.282 0.020 . 1 . . . . . 139 ALA HB# . 53820 1 998 . 1 . 1 139 139 ALA HB2 H 1 1.282 0.020 . 1 . . . . . 139 ALA HB# . 53820 1 999 . 1 . 1 139 139 ALA HB3 H 1 1.282 0.020 . 1 . . . . . 139 ALA HB# . 53820 1 1000 . 1 . 1 139 139 ALA C C 13 179.993 0.3 . 1 . . . . . 139 ALA C . 53820 1 1001 . 1 . 1 139 139 ALA CA C 13 51.135 0.3 . 1 . . . . . 139 ALA CA . 53820 1 1002 . 1 . 1 139 139 ALA CB C 13 20.818 0.3 . 1 . . . . . 139 ALA CB . 53820 1 1003 . 1 . 1 139 139 ALA N N 15 124.784 0.3 . 1 . . . . . 139 ALA N . 53820 1 1004 . 1 . 1 140 140 GLY H H 1 8.720 0.020 . 1 . . . . . 140 GLY H . 53820 1 1005 . 1 . 1 140 140 GLY HA2 H 1 3.968 0.020 . 2 . . . . . 140 GLY HA2 . 53820 1 1006 . 1 . 1 140 140 GLY HA3 H 1 3.856 0.020 . 2 . . . . . 140 GLY HA3 . 53820 1 1007 . 1 . 1 140 140 GLY C C 13 175.642 0.3 . 1 . . . . . 140 GLY C . 53820 1 1008 . 1 . 1 140 140 GLY CA C 13 47.390 0.3 . 1 . . . . . 140 GLY CA . 53820 1 1009 . 1 . 1 140 140 GLY N N 15 106.326 0.3 . 1 . . . . . 140 GLY N . 53820 1 1010 . 1 . 1 141 141 LEU H H 1 8.164 0.020 . 1 . . . . . 141 LEU H . 53820 1 1011 . 1 . 1 141 141 LEU HA H 1 4.782 0.020 . 1 . . . . . 141 LEU HA . 53820 1 1012 . 1 . 1 141 141 LEU CA C 13 54.087 0.3 . 1 . . . . . 141 LEU CA . 53820 1 1013 . 1 . 1 141 141 LEU CG C 13 26.349 0.3 . 1 . . . . . 141 LEU CG . 53820 1 1014 . 1 . 1 141 141 LEU N N 15 114.302 0.3 . 1 . . . . . 141 LEU N . 53820 1 1015 . 1 . 1 144 144 MET C C 13 178.591 0.3 . 1 . . . . . 144 MET C . 53820 1 1016 . 1 . 1 144 144 MET CA C 13 58.594 0.3 . 1 . . . . . 144 MET CA . 53820 1 1017 . 1 . 1 145 145 VAL H H 1 7.569 0.020 . 1 . . . . . 145 VAL H . 53820 1 1018 . 1 . 1 145 145 VAL HA H 1 3.908 0.020 . 1 . . . . . 145 VAL HA . 53820 1 1019 . 1 . 1 145 145 VAL HB H 1 2.010 0.020 . 1 . . . . . 145 VAL HB . 53820 1 1020 . 1 . 1 145 145 VAL HG11 H 1 0.491 0.020 . 2 . . . . . 145 VAL QG1 . 53820 1 1021 . 1 . 1 145 145 VAL HG12 H 1 0.491 0.020 . 2 . . . . . 145 VAL QG1 . 53820 1 1022 . 1 . 1 145 145 VAL HG13 H 1 0.491 0.020 . 2 . . . . . 145 VAL QG1 . 53820 1 1023 . 1 . 1 145 145 VAL HG21 H 1 0.478 0.020 . 2 . . . . . 145 VAL QG2 . 53820 1 1024 . 1 . 1 145 145 VAL HG22 H 1 0.478 0.020 . 2 . . . . . 145 VAL QG2 . 53820 1 1025 . 1 . 1 145 145 VAL HG23 H 1 0.478 0.020 . 2 . . . . . 145 VAL QG2 . 53820 1 1026 . 1 . 1 145 145 VAL C C 13 178.669 0.3 . 1 . . . . . 145 VAL C . 53820 1 1027 . 1 . 1 145 145 VAL CA C 13 66.673 0.3 . 1 . . . . . 145 VAL CA . 53820 1 1028 . 1 . 1 145 145 VAL CB C 13 30.131 0.3 . 1 . . . . . 145 VAL CB . 53820 1 1029 . 1 . 1 145 145 VAL CG1 C 13 22.557 0.3 . 1 . . . . . 145 VAL CG1 . 53820 1 1030 . 1 . 1 145 145 VAL CG2 C 13 22.377 0.3 . 1 . . . . . 145 VAL CG2 . 53820 1 1031 . 1 . 1 145 145 VAL N N 15 118.920 0.3 . 1 . . . . . 145 VAL N . 53820 1 1032 . 1 . 1 146 146 LEU C C 13 178.949 0.3 . 1 . . . . . 146 LEU C . 53820 1 1033 . 1 . 1 146 146 LEU CA C 13 55.865 0.3 . 1 . . . . . 146 LEU CA . 53820 1 1034 . 1 . 1 147 147 GLY H H 1 7.466 0.020 . 1 . . . . . 147 GLY H . 53820 1 1035 . 1 . 1 147 147 GLY HA2 H 1 4.151 0.020 . 2 . . . . . 147 GLY HA2 . 53820 1 1036 . 1 . 1 147 147 GLY HA3 H 1 4.128 0.020 . 2 . . . . . 147 GLY HA3 . 53820 1 1037 . 1 . 1 147 147 GLY C C 13 178.502 0.3 . 1 . . . . . 147 GLY C . 53820 1 1038 . 1 . 1 147 147 GLY CA C 13 48.210 0.3 . 1 . . . . . 147 GLY CA . 53820 1 1039 . 1 . 1 147 147 GLY N N 15 103.103 0.3 . 1 . . . . . 147 GLY N . 53820 1 1040 . 1 . 1 148 148 LEU C C 13 179.376 0.3 . 1 . . . . . 148 LEU C . 53820 1 1041 . 1 . 1 148 148 LEU CA C 13 58.499 0.3 . 1 . . . . . 148 LEU CA . 53820 1 1042 . 1 . 1 148 148 LEU CB C 13 41.335 0.3 . 1 . . . . . 148 LEU CB . 53820 1 1043 . 1 . 1 149 149 LEU H H 1 8.016 0.020 . 1 . . . . . 149 LEU H . 53820 1 1044 . 1 . 1 149 149 LEU HA H 1 3.853 0.020 . 1 . . . . . 149 LEU HA . 53820 1 1045 . 1 . 1 149 149 LEU HB2 H 1 1.914 0.020 . 2 . . . . . 149 LEU HB2 . 53820 1 1046 . 1 . 1 149 149 LEU HB3 H 1 1.869 0.020 . 2 . . . . . 149 LEU HB3 . 53820 1 1047 . 1 . 1 149 149 LEU HG H 1 1.834 0.020 . 1 . . . . . 149 LEU HG . 53820 1 1048 . 1 . 1 149 149 LEU HD11 H 1 0.696 0.020 . 2 . . . . . 149 LEU QD1 . 53820 1 1049 . 1 . 1 149 149 LEU HD12 H 1 0.696 0.020 . 2 . . . . . 149 LEU QD1 . 53820 1 1050 . 1 . 1 149 149 LEU HD13 H 1 0.696 0.020 . 2 . . . . . 149 LEU QD1 . 53820 1 1051 . 1 . 1 149 149 LEU HD21 H 1 0.685 0.020 . 2 . . . . . 149 LEU QD2 . 53820 1 1052 . 1 . 1 149 149 LEU HD22 H 1 0.685 0.020 . 2 . . . . . 149 LEU QD2 . 53820 1 1053 . 1 . 1 149 149 LEU HD23 H 1 0.685 0.020 . 2 . . . . . 149 LEU QD2 . 53820 1 1054 . 1 . 1 149 149 LEU C C 13 179.384 0.3 . 1 . . . . . 149 LEU C . 53820 1 1055 . 1 . 1 149 149 LEU CA C 13 57.959 0.3 . 1 . . . . . 149 LEU CA . 53820 1 1056 . 1 . 1 149 149 LEU CB C 13 41.405 0.3 . 1 . . . . . 149 LEU CB . 53820 1 1057 . 1 . 1 149 149 LEU CG C 13 26.058 0.3 . 1 . . . . . 149 LEU CG . 53820 1 1058 . 1 . 1 149 149 LEU CD1 C 13 22.592 0.3 . 1 . . . . . 149 LEU CD1 . 53820 1 1059 . 1 . 1 149 149 LEU CD2 C 13 22.267 0.3 . 1 . . . . . 149 LEU CD2 . 53820 1 1060 . 1 . 1 149 149 LEU N N 15 117.923 0.3 . 1 . . . . . 149 LEU N . 53820 1 1061 . 1 . 1 150 150 HIS H H 1 7.712 0.020 . 1 . . . . . 150 HIS H . 53820 1 1062 . 1 . 1 150 150 HIS HA H 1 4.234 0.020 . 1 . . . . . 150 HIS HA . 53820 1 1063 . 1 . 1 150 150 HIS HB2 H 1 3.304 0.020 . 2 . . . . . 150 HIS HB2 . 53820 1 1064 . 1 . 1 150 150 HIS HB3 H 1 3.253 0.020 . 2 . . . . . 150 HIS HB3 . 53820 1 1065 . 1 . 1 150 150 HIS C C 13 180.071 0.3 . 1 . . . . . 150 HIS C . 53820 1 1066 . 1 . 1 150 150 HIS CA C 13 59.356 0.3 . 1 . . . . . 150 HIS CA . 53820 1 1067 . 1 . 1 150 150 HIS CB C 13 29.501 0.3 . 1 . . . . . 150 HIS CB . 53820 1 1068 . 1 . 1 150 150 HIS N N 15 118.087 0.3 . 1 . . . . . 150 HIS N . 53820 1 1069 . 1 . 1 151 151 GLY H H 1 9.022 0.020 . 1 . . . . . 151 GLY H . 53820 1 1070 . 1 . 1 151 151 GLY HA2 H 1 3.744 0.020 . 2 . . . . . 151 GLY HA2 . 53820 1 1071 . 1 . 1 151 151 GLY HA3 H 1 3.525 0.020 . 2 . . . . . 151 GLY HA3 . 53820 1 1072 . 1 . 1 151 151 GLY C C 13 176.692 0.3 . 1 . . . . . 151 GLY C . 53820 1 1073 . 1 . 1 151 151 GLY CA C 13 47.454 0.3 . 1 . . . . . 151 GLY CA . 53820 1 1074 . 1 . 1 151 151 GLY N N 15 107.860 0.3 . 1 . . . . . 151 GLY N . 53820 1 1075 . 1 . 1 152 152 LEU C C 13 178.825 0.3 . 1 . . . . . 152 LEU C . 53820 1 1076 . 1 . 1 152 152 LEU CA C 13 57.515 0.3 . 1 . . . . . 152 LEU CA . 53820 1 1077 . 1 . 1 152 152 LEU CB C 13 41.686 0.3 . 1 . . . . . 152 LEU CB . 53820 1 1078 . 1 . 1 153 153 GLY H H 1 8.408 0.020 . 1 . . . . . 153 GLY H . 53820 1 1079 . 1 . 1 153 153 GLY HA2 H 1 3.758 0.020 . 2 . . . . . 153 GLY HA2 . 53820 1 1080 . 1 . 1 153 153 GLY HA3 H 1 3.690 0.020 . 2 . . . . . 153 GLY HA3 . 53820 1 1081 . 1 . 1 153 153 GLY C C 13 175.723 0.3 . 1 . . . . . 153 GLY C . 53820 1 1082 . 1 . 1 153 153 GLY CA C 13 48.406 0.3 . 1 . . . . . 153 GLY CA . 53820 1 1083 . 1 . 1 153 153 GLY N N 15 107.650 0.3 . 1 . . . . . 153 GLY N . 53820 1 1084 . 1 . 1 154 154 LYS H H 1 7.359 0.020 . 1 . . . . . 154 LYS H . 53820 1 1085 . 1 . 1 154 154 LYS HA H 1 3.955 0.020 . 1 . . . . . 154 LYS HA . 53820 1 1086 . 1 . 1 154 154 LYS HB2 H 1 1.775 0.020 . 2 . . . . . 154 LYS HB2 . 53820 1 1087 . 1 . 1 154 154 LYS HB3 H 1 1.744 0.020 . 2 . . . . . 154 LYS HB3 . 53820 1 1088 . 1 . 1 154 154 LYS HG2 H 1 1.270 0.020 . 2 . . . . . 154 LYS HG2 . 53820 1 1089 . 1 . 1 154 154 LYS HG3 H 1 1.258 0.020 . 2 . . . . . 154 LYS HG3 . 53820 1 1090 . 1 . 1 154 154 LYS HD2 H 1 1.501 0.020 . 2 . . . . . 154 LYS HD2 . 53820 1 1091 . 1 . 1 154 154 LYS HD3 H 1 1.480 0.020 . 2 . . . . . 154 LYS HD3 . 53820 1 1092 . 1 . 1 154 154 LYS HE2 H 1 2.732 0.020 . 2 . . . . . 154 LYS HE2 . 53820 1 1093 . 1 . 1 154 154 LYS HE3 H 1 2.716 0.020 . 2 . . . . . 154 LYS HE3 . 53820 1 1094 . 1 . 1 154 154 LYS C C 13 179.978 0.3 . 1 . . . . . 154 LYS C . 53820 1 1095 . 1 . 1 154 154 LYS CA C 13 59.578 0.3 . 1 . . . . . 154 LYS CA . 53820 1 1096 . 1 . 1 154 154 LYS CB C 13 32.092 0.3 . 1 . . . . . 154 LYS CB . 53820 1 1097 . 1 . 1 154 154 LYS CG C 13 25.691 0.3 . 1 . . . . . 154 LYS CG . 53820 1 1098 . 1 . 1 154 154 LYS CD C 13 29.447 0.3 . 1 . . . . . 154 LYS CD . 53820 1 1099 . 1 . 1 154 154 LYS CE C 13 41.967 0.3 . 1 . . . . . 154 LYS CE . 53820 1 1100 . 1 . 1 154 154 LYS N N 15 119.615 0.3 . 1 . . . . . 154 LYS N . 53820 1 1101 . 1 . 1 155 155 ARG H H 1 7.818 0.020 . 1 . . . . . 155 ARG H . 53820 1 1102 . 1 . 1 155 155 ARG HA H 1 3.635 0.020 . 1 . . . . . 155 ARG HA . 53820 1 1103 . 1 . 1 155 155 ARG HB2 H 1 1.779 0.020 . 2 . . . . . 155 ARG HB2 . 53820 1 1104 . 1 . 1 155 155 ARG HB3 H 1 1.721 0.020 . 2 . . . . . 155 ARG HB3 . 53820 1 1105 . 1 . 1 155 155 ARG HG2 H 1 1.338 0.020 . 2 . . . . . 155 ARG HG2 . 53820 1 1106 . 1 . 1 155 155 ARG HG3 H 1 1.316 0.020 . 2 . . . . . 155 ARG HG3 . 53820 1 1107 . 1 . 1 155 155 ARG HD2 H 1 2.985 0.020 . 2 . . . . . 155 ARG HD2 . 53820 1 1108 . 1 . 1 155 155 ARG HD3 H 1 2.973 0.020 . 2 . . . . . 155 ARG HD3 . 53820 1 1109 . 1 . 1 155 155 ARG C C 13 176.965 0.3 . 1 . . . . . 155 ARG C . 53820 1 1110 . 1 . 1 155 155 ARG CA C 13 59.134 0.3 . 1 . . . . . 155 ARG CA . 53820 1 1111 . 1 . 1 155 155 ARG CB C 13 29.236 0.3 . 1 . . . . . 155 ARG CB . 53820 1 1112 . 1 . 1 155 155 ARG CG C 13 27.281 0.3 . 1 . . . . . 155 ARG CG . 53820 1 1113 . 1 . 1 155 155 ARG CD C 13 42.903 0.3 . 1 . . . . . 155 ARG CD . 53820 1 1114 . 1 . 1 155 155 ARG N N 15 121.383 0.3 . 1 . . . . . 155 ARG N . 53820 1 1115 . 1 . 1 156 156 PHE H H 1 7.569 0.020 . 1 . . . . . 156 PHE H . 53820 1 1116 . 1 . 1 156 156 PHE HA H 1 4.510 0.020 . 1 . . . . . 156 PHE HA . 53820 1 1117 . 1 . 1 156 156 PHE HB2 H 1 2.431 0.020 . 2 . . . . . 156 PHE HB2 . 53820 1 1118 . 1 . 1 156 156 PHE HB3 H 1 2.399 0.020 . 2 . . . . . 156 PHE HB3 . 53820 1 1119 . 1 . 1 156 156 PHE C C 13 174.425 0.3 . 1 . . . . . 156 PHE C . 53820 1 1120 . 1 . 1 156 156 PHE CA C 13 58.372 0.3 . 1 . . . . . 156 PHE CA . 53820 1 1121 . 1 . 1 156 156 PHE CB C 13 38.582 0.3 . 1 . . . . . 156 PHE CB . 53820 1 1122 . 1 . 1 156 156 PHE N N 15 112.889 0.3 . 1 . . . . . 156 PHE N . 53820 1 1123 . 1 . 1 157 157 GLN H H 1 7.899 0.020 . 1 . . . . . 157 GLN H . 53820 1 1124 . 1 . 1 157 157 GLN HA H 1 3.853 0.020 . 1 . . . . . 157 GLN HA . 53820 1 1125 . 1 . 1 157 157 GLN HB2 H 1 2.156 0.020 . 2 . . . . . 157 GLN HB2 . 53820 1 1126 . 1 . 1 157 157 GLN HB3 H 1 2.137 0.020 . 2 . . . . . 157 GLN HB3 . 53820 1 1127 . 1 . 1 157 157 GLN HG2 H 1 2.213 0.020 . 2 . . . . . 157 GLN HG2 . 53820 1 1128 . 1 . 1 157 157 GLN HG3 H 1 2.201 0.020 . 2 . . . . . 157 GLN HG3 . 53820 1 1129 . 1 . 1 157 157 GLN C C 13 174.510 0.3 . 1 . . . . . 157 GLN C . 53820 1 1130 . 1 . 1 157 157 GLN CA C 13 56.817 0.3 . 1 . . . . . 157 GLN CA . 53820 1 1131 . 1 . 1 157 157 GLN CB C 13 26.630 0.3 . 1 . . . . . 157 GLN CB . 53820 1 1132 . 1 . 1 157 157 GLN CG C 13 34.456 0.3 . 1 . . . . . 157 GLN CG . 53820 1 1133 . 1 . 1 157 157 GLN N N 15 119.652 0.3 . 1 . . . . . 157 GLN N . 53820 1 1134 . 1 . 1 158 158 THR H H 1 8.715 0.020 . 1 . . . . . 158 THR H . 53820 1 1135 . 1 . 1 158 158 THR HA H 1 4.565 0.020 . 1 . . . . . 158 THR HA . 53820 1 1136 . 1 . 1 158 158 THR HB H 1 3.684 0.020 . 1 . . . . . 158 THR HB . 53820 1 1137 . 1 . 1 158 158 THR HG21 H 1 1.119 0.020 . 1 . . . . . 158 THR QG2 . 53820 1 1138 . 1 . 1 158 158 THR HG22 H 1 1.119 0.020 . 1 . . . . . 158 THR QG2 . 53820 1 1139 . 1 . 1 158 158 THR HG23 H 1 1.119 0.020 . 1 . . . . . 158 THR QG2 . 53820 1 1140 . 1 . 1 158 158 THR C C 13 172.995 0.3 . 1 . . . . . 158 THR C . 53820 1 1141 . 1 . 1 158 158 THR CA C 13 60.974 0.3 . 1 . . . . . 158 THR CA . 53820 1 1142 . 1 . 1 158 158 THR CB C 13 72.077 0.3 . 1 . . . . . 158 THR CB . 53820 1 1143 . 1 . 1 158 158 THR CG2 C 13 21.041 0.3 . 1 . . . . . 158 THR CG2 . 53820 1 1144 . 1 . 1 158 158 THR N N 15 114.748 0.3 . 1 . . . . . 158 THR N . 53820 1 1145 . 1 . 1 159 159 LYS H H 1 8.590 0.020 . 1 . . . . . 159 LYS H . 53820 1 1146 . 1 . 1 159 159 LYS HA H 1 4.182 0.020 . 1 . . . . . 159 LYS HA . 53820 1 1147 . 1 . 1 159 159 LYS HB2 H 1 1.737 0.020 . 2 . . . . . 159 LYS HB2 . 53820 1 1148 . 1 . 1 159 159 LYS HB3 H 1 1.723 0.020 . 2 . . . . . 159 LYS HB3 . 53820 1 1149 . 1 . 1 159 159 LYS HG2 H 1 1.433 0.020 . 2 . . . . . 159 LYS HG2 . 53820 1 1150 . 1 . 1 159 159 LYS HG3 H 1 1.425 0.020 . 2 . . . . . 159 LYS HG3 . 53820 1 1151 . 1 . 1 159 159 LYS HD2 H 1 1.582 0.020 . 2 . . . . . 159 LYS HD2 . 53820 1 1152 . 1 . 1 159 159 LYS HD3 H 1 1.570 0.020 . 2 . . . . . 159 LYS HD3 . 53820 1 1153 . 1 . 1 159 159 LYS HE2 H 1 2.865 0.020 . 2 . . . . . 159 LYS HE2 . 53820 1 1154 . 1 . 1 159 159 LYS HE3 H 1 2.855 0.020 . 2 . . . . . 159 LYS HE3 . 53820 1 1155 . 1 . 1 159 159 LYS C C 13 175.977 0.3 . 1 . . . . . 159 LYS C . 53820 1 1156 . 1 . 1 159 159 LYS CA C 13 56.944 0.3 . 1 . . . . . 159 LYS CA . 53820 1 1157 . 1 . 1 159 159 LYS CB C 13 32.575 0.3 . 1 . . . . . 159 LYS CB . 53820 1 1158 . 1 . 1 159 159 LYS CG C 13 24.789 0.3 . 1 . . . . . 159 LYS CG . 53820 1 1159 . 1 . 1 159 159 LYS CD C 13 29.205 0.3 . 1 . . . . . 159 LYS CD . 53820 1 1160 . 1 . 1 159 159 LYS CE C 13 41.961 0.3 . 1 . . . . . 159 LYS CE . 53820 1 1161 . 1 . 1 159 159 LYS N N 15 128.751 0.3 . 1 . . . . . 159 LYS N . 53820 1 1162 . 1 . 1 160 160 VAL H H 1 8.159 0.020 . 1 . . . . . 160 VAL H . 53820 1 1163 . 1 . 1 160 160 VAL HA H 1 5.013 0.020 . 1 . . . . . 160 VAL HA . 53820 1 1164 . 1 . 1 160 160 VAL HB H 1 1.737 0.020 . 1 . . . . . 160 VAL HB . 53820 1 1165 . 1 . 1 160 160 VAL HG11 H 1 0.670 0.020 . 1 . . . . . 160 VAL QG1 . 53820 1 1166 . 1 . 1 160 160 VAL HG12 H 1 0.670 0.020 . 1 . . . . . 160 VAL QG1 . 53820 1 1167 . 1 . 1 160 160 VAL HG13 H 1 0.670 0.020 . 1 . . . . . 160 VAL QG1 . 53820 1 1168 . 1 . 1 160 160 VAL HG21 H 1 0.670 0.020 . 1 . . . . . 160 VAL QG2 . 53820 1 1169 . 1 . 1 160 160 VAL HG22 H 1 0.670 0.020 . 1 . . . . . 160 VAL QG2 . 53820 1 1170 . 1 . 1 160 160 VAL HG23 H 1 0.670 0.020 . 1 . . . . . 160 VAL QG2 . 53820 1 1171 . 1 . 1 160 160 VAL C C 13 174.744 0.3 . 1 . . . . . 160 VAL C . 53820 1 1172 . 1 . 1 160 160 VAL CA C 13 59.451 0.3 . 1 . . . . . 160 VAL CA . 53820 1 1173 . 1 . 1 160 160 VAL CB C 13 35.313 0.3 . 1 . . . . . 160 VAL CB . 53820 1 1174 . 1 . 1 160 160 VAL CG1 C 13 22.297 0.3 . 1 . . . . . 160 VAL CG1 . 53820 1 1175 . 1 . 1 160 160 VAL CG2 C 13 21.979 0.3 . 1 . . . . . 160 VAL CG2 . 53820 1 1176 . 1 . 1 160 160 VAL N N 15 118.982 0.3 . 1 . . . . . 160 VAL N . 53820 1 1177 . 1 . 1 161 161 GLU H H 1 8.863 0.020 . 1 . . . . . 161 GLU H . 53820 1 1178 . 1 . 1 161 161 GLU HA H 1 5.056 0.020 . 1 . . . . . 161 GLU HA . 53820 1 1179 . 1 . 1 161 161 GLU HB2 H 1 1.969 0.020 . 2 . . . . . 161 GLU HB2 . 53820 1 1180 . 1 . 1 161 161 GLU HB3 H 1 1.939 0.020 . 2 . . . . . 161 GLU HB3 . 53820 1 1181 . 1 . 1 161 161 GLU HG2 H 1 2.155 0.020 . 2 . . . . . 161 GLU HG2 . 53820 1 1182 . 1 . 1 161 161 GLU HG3 H 1 2.148 0.020 . 2 . . . . . 161 GLU HG3 . 53820 1 1183 . 1 . 1 161 161 GLU C C 13 175.551 0.3 . 1 . . . . . 161 GLU C . 53820 1 1184 . 1 . 1 161 161 GLU CA C 13 55.357 0.3 . 1 . . . . . 161 GLU CA . 53820 1 1185 . 1 . 1 161 161 GLU CB C 13 32.302 0.3 . 1 . . . . . 161 GLU CB . 53820 1 1186 . 1 . 1 161 161 GLU CG C 13 36.344 0.3 . 1 . . . . . 161 GLU CG . 53820 1 1187 . 1 . 1 161 161 GLU N N 15 124.993 0.3 . 1 . . . . . 161 GLU N . 53820 1 1188 . 1 . 1 162 162 VAL H H 1 9.044 0.020 . 1 . . . . . 162 VAL H . 53820 1 1189 . 1 . 1 162 162 VAL HA H 1 5.061 0.020 . 1 . . . . . 162 VAL HA . 53820 1 1190 . 1 . 1 162 162 VAL HB H 1 1.959 0.020 . 1 . . . . . 162 VAL HB . 53820 1 1191 . 1 . 1 162 162 VAL HG11 H 1 0.744 0.020 . 1 . . . . . 162 VAL QG1 . 53820 1 1192 . 1 . 1 162 162 VAL HG12 H 1 0.744 0.020 . 1 . . . . . 162 VAL QG1 . 53820 1 1193 . 1 . 1 162 162 VAL HG13 H 1 0.744 0.020 . 1 . . . . . 162 VAL QG1 . 53820 1 1194 . 1 . 1 162 162 VAL HG21 H 1 0.744 0.020 . 1 . . . . . 162 VAL QG2 . 53820 1 1195 . 1 . 1 162 162 VAL HG22 H 1 0.744 0.020 . 1 . . . . . 162 VAL QG2 . 53820 1 1196 . 1 . 1 162 162 VAL HG23 H 1 0.744 0.020 . 1 . . . . . 162 VAL QG2 . 53820 1 1197 . 1 . 1 162 162 VAL C C 13 174.744 0.3 . 1 . . . . . 162 VAL C . 53820 1 1198 . 1 . 1 162 162 VAL CA C 13 60.657 0.3 . 1 . . . . . 162 VAL CA . 53820 1 1199 . 1 . 1 162 162 VAL CB C 13 34.263 0.3 . 1 . . . . . 162 VAL CB . 53820 1 1200 . 1 . 1 162 162 VAL CG1 C 13 22.234 0.3 . 1 . . . . . 162 VAL CG1 . 53820 1 1201 . 1 . 1 162 162 VAL CG2 C 13 21.653 0.3 . 1 . . . . . 162 VAL CG2 . 53820 1 1202 . 1 . 1 162 162 VAL N N 15 126.455 0.3 . 1 . . . . . 162 VAL N . 53820 1 1203 . 1 . 1 163 163 THR H H 1 8.900 0.020 . 1 . . . . . 163 THR H . 53820 1 1204 . 1 . 1 163 163 THR HA H 1 4.511 0.020 . 1 . . . . . 163 THR HA . 53820 1 1205 . 1 . 1 163 163 THR HB H 1 3.877 0.020 . 1 . . . . . 163 THR HB . 53820 1 1206 . 1 . 1 163 163 THR HG21 H 1 1.118 0.020 . 1 . . . . . 163 THR QG2 . 53820 1 1207 . 1 . 1 163 163 THR HG22 H 1 1.118 0.020 . 1 . . . . . 163 THR QG2 . 53820 1 1208 . 1 . 1 163 163 THR HG23 H 1 1.118 0.020 . 1 . . . . . 163 THR QG2 . 53820 1 1209 . 1 . 1 163 163 THR C C 13 172.897 0.3 . 1 . . . . . 163 THR C . 53820 1 1210 . 1 . 1 163 163 THR CA C 13 60.911 0.3 . 1 . . . . . 163 THR CA . 53820 1 1211 . 1 . 1 163 163 THR CB C 13 71.797 0.3 . 1 . . . . . 163 THR CB . 53820 1 1212 . 1 . 1 163 163 THR CG2 C 13 21.354 0.3 . 1 . . . . . 163 THR CG2 . 53820 1 1213 . 1 . 1 163 163 THR N N 15 122.203 0.3 . 1 . . . . . 163 THR N . 53820 1 1214 . 1 . 1 164 164 GLN H H 1 9.469 0.020 . 1 . . . . . 164 GLN H . 53820 1 1215 . 1 . 1 164 164 GLN HA H 1 4.289 0.020 . 1 . . . . . 164 GLN HA . 53820 1 1216 . 1 . 1 164 164 GLN C C 13 174.592 0.3 . 1 . . . . . 164 GLN C . 53820 1 1217 . 1 . 1 164 164 GLN CA C 13 56.436 0.3 . 1 . . . . . 164 GLN CA . 53820 1 1218 . 1 . 1 164 164 GLN CB C 13 27.152 0.3 . 1 . . . . . 164 GLN CB . 53820 1 1219 . 1 . 1 164 164 GLN CG C 13 32.049 0.3 . 1 . . . . . 164 GLN CG . 53820 1 1220 . 1 . 1 164 164 GLN N N 15 129.783 0.3 . 1 . . . . . 164 GLN N . 53820 1 1221 . 1 . 1 165 165 THR H H 1 8.381 0.020 . 1 . . . . . 165 THR H . 53820 1 1222 . 1 . 1 165 165 THR HA H 1 4.294 0.020 . 1 . . . . . 165 THR HA . 53820 1 1223 . 1 . 1 165 165 THR HB H 1 4.128 0.020 . 1 . . . . . 165 THR HB . 53820 1 1224 . 1 . 1 165 165 THR HG21 H 1 0.993 0.020 . 1 . . . . . 165 THR QG2 . 53820 1 1225 . 1 . 1 165 165 THR HG22 H 1 0.993 0.020 . 1 . . . . . 165 THR QG2 . 53820 1 1226 . 1 . 1 165 165 THR HG23 H 1 0.993 0.020 . 1 . . . . . 165 THR QG2 . 53820 1 1227 . 1 . 1 165 165 THR C C 13 174.562 0.3 . 1 . . . . . 165 THR C . 53820 1 1228 . 1 . 1 165 165 THR CA C 13 61.615 0.3 . 1 . . . . . 165 THR CA . 53820 1 1229 . 1 . 1 165 165 THR CB C 13 68.921 0.3 . 1 . . . . . 165 THR CB . 53820 1 1230 . 1 . 1 165 165 THR CG2 C 13 21.978 0.3 . 1 . . . . . 165 THR CG2 . 53820 1 1231 . 1 . 1 165 165 THR N N 15 116.869 0.3 . 1 . . . . . 165 THR N . 53820 1 1232 . 1 . 1 166 166 ALA H H 1 7.231 0.020 . 1 . . . . . 166 ALA H . 53820 1 1233 . 1 . 1 166 166 ALA HA H 1 4.782 0.020 . 1 . . . . . 166 ALA HA . 53820 1 1234 . 1 . 1 166 166 ALA HB1 H 1 1.120 0.020 . 1 . . . . . 166 ALA HB# . 53820 1 1235 . 1 . 1 166 166 ALA HB2 H 1 1.120 0.020 . 1 . . . . . 166 ALA HB# . 53820 1 1236 . 1 . 1 166 166 ALA HB3 H 1 1.120 0.020 . 1 . . . . . 166 ALA HB# . 53820 1 1237 . 1 . 1 166 166 ALA C C 13 176.281 0.3 . 1 . . . . . 166 ALA C . 53820 1 1238 . 1 . 1 166 166 ALA CA C 13 51.961 0.3 . 1 . . . . . 166 ALA CA . 53820 1 1239 . 1 . 1 166 166 ALA CB C 13 22.218 0.3 . 1 . . . . . 166 ALA CB . 53820 1 1240 . 1 . 1 166 166 ALA N N 15 123.385 0.3 . 1 . . . . . 166 ALA N . 53820 1 1241 . 1 . 1 167 167 PHE H H 1 8.920 0.020 . 1 . . . . . 167 PHE H . 53820 1 1242 . 1 . 1 167 167 PHE HA H 1 4.892 0.020 . 1 . . . . . 167 PHE HA . 53820 1 1243 . 1 . 1 167 167 PHE HB2 H 1 3.088 0.020 . 2 . . . . . 167 PHE HB2 . 53820 1 1244 . 1 . 1 167 167 PHE HB3 H 1 2.923 0.020 . 2 . . . . . 167 PHE HB3 . 53820 1 1245 . 1 . 1 167 167 PHE C C 13 175.946 0.3 . 1 . . . . . 167 PHE C . 53820 1 1246 . 1 . 1 167 167 PHE CA C 13 55.865 0.3 . 1 . . . . . 167 PHE CA . 53820 1 1247 . 1 . 1 167 167 PHE CB C 13 40.565 0.3 . 1 . . . . . 167 PHE CB . 53820 1 1248 . 1 . 1 167 167 PHE N N 15 121.852 0.3 . 1 . . . . . 167 PHE N . 53820 1 1249 . 1 . 1 168 168 ARG H H 1 9.084 0.020 . 1 . . . . . 168 ARG H . 53820 1 1250 . 1 . 1 168 168 ARG HA H 1 4.181 0.020 . 1 . . . . . 168 ARG HA . 53820 1 1251 . 1 . 1 168 168 ARG HB2 H 1 1.885 0.020 . 2 . . . . . 168 ARG HB2 . 53820 1 1252 . 1 . 1 168 168 ARG HB3 H 1 1.868 0.020 . 2 . . . . . 168 ARG HB3 . 53820 1 1253 . 1 . 1 168 168 ARG HG2 H 1 1.611 0.020 . 2 . . . . . 168 ARG HG2 . 53820 1 1254 . 1 . 1 168 168 ARG HG3 H 1 1.597 0.020 . 2 . . . . . 168 ARG HG3 . 53820 1 1255 . 1 . 1 168 168 ARG HD2 H 1 3.286 0.020 . 2 . . . . . 168 ARG HD2 . 53820 1 1256 . 1 . 1 168 168 ARG HD3 H 1 3.231 0.020 . 2 . . . . . 168 ARG HD3 . 53820 1 1257 . 1 . 1 168 168 ARG C C 13 179.978 0.3 . 1 . . . . . 168 ARG C . 53820 1 1258 . 1 . 1 168 168 ARG CA C 13 58.245 0.3 . 1 . . . . . 168 ARG CA . 53820 1 1259 . 1 . 1 168 168 ARG CB C 13 30.902 0.3 . 1 . . . . . 168 ARG CB . 53820 1 1260 . 1 . 1 168 168 ARG CG C 13 26.954 0.3 . 1 . . . . . 168 ARG CG . 53820 1 1261 . 1 . 1 168 168 ARG CD C 13 43.866 0.3 . 1 . . . . . 168 ARG CD . 53820 1 1262 . 1 . 1 168 168 ARG N N 15 128.810 0.3 . 1 . . . . . 168 ARG N . 53820 1 1263 . 1 . 1 169 169 GLU H H 1 9.872 0.020 . 1 . . . . . 169 GLU H . 53820 1 1264 . 1 . 1 169 169 GLU HA H 1 4.127 0.020 . 1 . . . . . 169 GLU HA . 53820 1 1265 . 1 . 1 169 169 GLU HB2 H 1 2.049 0.020 . 2 . . . . . 169 GLU HB2 . 53820 1 1266 . 1 . 1 169 169 GLU HB3 H 1 2.103 0.020 . 2 . . . . . 169 GLU HB3 . 53820 1 1267 . 1 . 1 169 169 GLU HG2 H 1 2.322 0.020 . 2 . . . . . 169 GLU HG2 . 53820 1 1268 . 1 . 1 169 169 GLU HG3 H 1 2.351 0.020 . 2 . . . . . 169 GLU HG3 . 53820 1 1269 . 1 . 1 169 169 GLU C C 13 177.653 0.3 . 1 . . . . . 169 GLU C . 53820 1 1270 . 1 . 1 169 169 GLU CA C 13 59.292 0.3 . 1 . . . . . 169 GLU CA . 53820 1 1271 . 1 . 1 169 169 GLU CB C 13 29.571 0.3 . 1 . . . . . 169 GLU CB . 53820 1 1272 . 1 . 1 169 169 GLU CG C 13 36.763 0.3 . 1 . . . . . 169 GLU CG . 53820 1 1273 . 1 . 1 169 169 GLU N N 15 118.516 0.3 . 1 . . . . . 169 GLU N . 53820 1 1274 . 1 . 1 170 170 THR H H 1 7.405 0.020 . 1 . . . . . 170 THR H . 53820 1 1275 . 1 . 1 170 170 THR HA H 1 4.457 0.020 . 1 . . . . . 170 THR HA . 53820 1 1276 . 1 . 1 170 170 THR HB H 1 4.497 0.020 . 1 . . . . . 170 THR HB . 53820 1 1277 . 1 . 1 170 170 THR HG21 H 1 1.046 0.020 . 1 . . . . . 170 THR QG2 . 53820 1 1278 . 1 . 1 170 170 THR HG22 H 1 1.046 0.020 . 1 . . . . . 170 THR QG2 . 53820 1 1279 . 1 . 1 170 170 THR HG23 H 1 1.046 0.020 . 1 . . . . . 170 THR QG2 . 53820 1 1280 . 1 . 1 170 170 THR C C 13 175.110 0.3 . 1 . . . . . 170 THR C . 53820 1 1281 . 1 . 1 170 170 THR CA C 13 61.355 0.3 . 1 . . . . . 170 THR CA . 53820 1 1282 . 1 . 1 170 170 THR CB C 13 68.506 0.3 . 1 . . . . . 170 THR CB . 53820 1 1283 . 1 . 1 170 170 THR CG2 C 13 21.637 0.3 . 1 . . . . . 170 THR CG2 . 53820 1 1284 . 1 . 1 170 170 THR N N 15 107.265 0.3 . 1 . . . . . 170 THR N . 53820 1 1285 . 1 . 1 171 171 GLY H H 1 7.953 0.020 . 1 . . . . . 171 GLY H . 53820 1 1286 . 1 . 1 171 171 GLY HA2 H 1 4.400 0.020 . 2 . . . . . 171 GLY HA2 . 53820 1 1287 . 1 . 1 171 171 GLY HA3 H 1 3.634 0.020 . 2 . . . . . 171 GLY HA3 . 53820 1 1288 . 1 . 1 171 171 GLY C C 13 174.957 0.3 . 1 . . . . . 171 GLY C . 53820 1 1289 . 1 . 1 171 171 GLY CA C 13 45.010 0.3 . 1 . . . . . 171 GLY CA . 53820 1 1290 . 1 . 1 171 171 GLY N N 15 108.128 0.3 . 1 . . . . . 171 GLY N . 53820 1 1291 . 1 . 1 172 172 GLU H H 1 7.199 0.020 . 1 . . . . . 172 GLU H . 53820 1 1292 . 1 . 1 172 172 GLU HA H 1 4.172 0.020 . 1 . . . . . 172 GLU HA . 53820 1 1293 . 1 . 1 172 172 GLU HB2 H 1 2.006 0.020 . 2 . . . . . 172 GLU HB2 . 53820 1 1294 . 1 . 1 172 172 GLU HB3 H 1 1.989 0.020 . 2 . . . . . 172 GLU HB3 . 53820 1 1295 . 1 . 1 172 172 GLU HG2 H 1 2.214 0.020 . 1 . . . . . 172 GLU HG2 . 53820 1 1296 . 1 . 1 172 172 GLU HG3 H 1 2.214 0.020 . 1 . . . . . 172 GLU HG3 . 53820 1 1297 . 1 . 1 172 172 GLU C C 13 175.931 0.3 . 1 . . . . . 172 GLU C . 53820 1 1298 . 1 . 1 172 172 GLU CA C 13 56.436 0.3 . 1 . . . . . 172 GLU CA . 53820 1 1299 . 1 . 1 172 172 GLU CB C 13 29.151 0.3 . 1 . . . . . 172 GLU CB . 53820 1 1300 . 1 . 1 172 172 GLU CG C 13 36.344 0.3 . 1 . . . . . 172 GLU CG . 53820 1 1301 . 1 . 1 172 172 GLU N N 15 119.007 0.3 . 1 . . . . . 172 GLU N . 53820 1 1302 . 1 . 1 173 173 ASP H H 1 8.565 0.020 . 1 . . . . . 173 ASP H . 53820 1 1303 . 1 . 1 173 173 ASP HA H 1 4.074 0.020 . 1 . . . . . 173 ASP HA . 53820 1 1304 . 1 . 1 173 173 ASP HB2 H 1 2.656 0.020 . 2 . . . . . 173 ASP HB2 . 53820 1 1305 . 1 . 1 173 173 ASP HB3 H 1 2.517 0.020 . 2 . . . . . 173 ASP HB3 . 53820 1 1306 . 1 . 1 173 173 ASP C C 13 175.901 0.3 . 1 . . . . . 173 ASP C . 53820 1 1307 . 1 . 1 173 173 ASP CA C 13 57.769 0.3 . 1 . . . . . 173 ASP CA . 53820 1 1308 . 1 . 1 173 173 ASP CB C 13 42.946 0.3 . 1 . . . . . 173 ASP CB . 53820 1 1309 . 1 . 1 173 173 ASP N N 15 119.891 0.3 . 1 . . . . . 173 ASP N . 53820 1 1310 . 1 . 1 174 174 HIS H H 1 7.451 0.020 . 1 . . . . . 174 HIS H . 53820 1 1311 . 1 . 1 174 174 HIS HA H 1 4.484 0.020 . 1 . . . . . 174 HIS HA . 53820 1 1312 . 1 . 1 174 174 HIS HB2 H 1 3.470 0.020 . 2 . . . . . 174 HIS HB2 . 53820 1 1313 . 1 . 1 174 174 HIS HB3 H 1 3.253 0.020 . 2 . . . . . 174 HIS HB3 . 53820 1 1314 . 1 . 1 174 174 HIS C C 13 171.717 0.3 . 1 . . . . . 174 HIS C . 53820 1 1315 . 1 . 1 174 174 HIS CA C 13 55.039 0.3 . 1 . . . . . 174 HIS CA . 53820 1 1316 . 1 . 1 174 174 HIS CB C 13 29.011 0.3 . 1 . . . . . 174 HIS CB . 53820 1 1317 . 1 . 1 174 174 HIS N N 15 106.479 0.3 . 1 . . . . . 174 HIS N . 53820 1 1318 . 1 . 1 175 175 ASP H H 1 8.316 0.020 . 1 . . . . . 175 ASP H . 53820 1 1319 . 1 . 1 175 175 ASP HA H 1 4.510 0.020 . 1 . . . . . 175 ASP HA . 53820 1 1320 . 1 . 1 175 175 ASP HB2 H 1 2.431 0.020 . 2 . . . . . 175 ASP HB2 . 53820 1 1321 . 1 . 1 175 175 ASP HB3 H 1 2.404 0.020 . 2 . . . . . 175 ASP HB3 . 53820 1 1322 . 1 . 1 175 175 ASP C C 13 175.125 0.3 . 1 . . . . . 175 ASP C . 53820 1 1323 . 1 . 1 175 175 ASP CA C 13 55.008 0.3 . 1 . . . . . 175 ASP CA . 53820 1 1324 . 1 . 1 175 175 ASP CB C 13 43.830 0.3 . 1 . . . . . 175 ASP CB . 53820 1 1325 . 1 . 1 175 175 ASP N N 15 119.110 0.3 . 1 . . . . . 175 ASP N . 53820 1 1326 . 1 . 1 176 176 ILE H H 1 7.196 0.020 . 1 . . . . . 176 ILE H . 53820 1 1327 . 1 . 1 176 176 ILE HA H 1 4.780 0.020 . 1 . . . . . 176 ILE HA . 53820 1 1328 . 1 . 1 176 176 ILE HB H 1 1.122 0.020 . 1 . . . . . 176 ILE HB . 53820 1 1329 . 1 . 1 176 176 ILE HG12 H 1 1.178 0.020 . 2 . . . . . 176 ILE HG12 . 53820 1 1330 . 1 . 1 176 176 ILE HG13 H 1 1.168 0.020 . 2 . . . . . 176 ILE HG13 . 53820 1 1331 . 1 . 1 176 176 ILE HG21 H 1 0.239 0.020 . 1 . . . . . 176 ILE QG2 . 53820 1 1332 . 1 . 1 176 176 ILE HG22 H 1 0.239 0.020 . 1 . . . . . 176 ILE QG2 . 53820 1 1333 . 1 . 1 176 176 ILE HG23 H 1 0.239 0.020 . 1 . . . . . 176 ILE QG2 . 53820 1 1334 . 1 . 1 176 176 ILE HD11 H 1 0.449 0.020 . 1 . . . . . 176 ILE QD1 . 53820 1 1335 . 1 . 1 176 176 ILE HD12 H 1 0.449 0.020 . 1 . . . . . 176 ILE QD1 . 53820 1 1336 . 1 . 1 176 176 ILE HD13 H 1 0.449 0.020 . 1 . . . . . 176 ILE QD1 . 53820 1 1337 . 1 . 1 176 176 ILE C C 13 174.027 0.3 . 1 . . . . . 176 ILE C . 53820 1 1338 . 1 . 1 176 176 ILE CA C 13 60.435 0.3 . 1 . . . . . 176 ILE CA . 53820 1 1339 . 1 . 1 176 176 ILE CB C 13 40.355 0.3 . 1 . . . . . 176 ILE CB . 53820 1 1340 . 1 . 1 176 176 ILE CG1 C 13 27.275 0.3 . 1 . . . . . 176 ILE CG1 . 53820 1 1341 . 1 . 1 176 176 ILE CG2 C 13 16.668 0.3 . 1 . . . . . 176 ILE CG2 . 53820 1 1342 . 1 . 1 176 176 ILE CD1 C 13 13.524 0.3 . 1 . . . . . 176 ILE CD1 . 53820 1 1343 . 1 . 1 176 176 ILE N N 15 119.344 0.3 . 1 . . . . . 176 ILE N . 53820 1 1344 . 1 . 1 177 177 PHE H H 1 9.173 0.020 . 1 . . . . . 177 PHE H . 53820 1 1345 . 1 . 1 177 177 PHE HA H 1 4.946 0.020 . 1 . . . . . 177 PHE HA . 53820 1 1346 . 1 . 1 177 177 PHE HB2 H 1 2.815 0.020 . 2 . . . . . 177 PHE HB2 . 53820 1 1347 . 1 . 1 177 177 PHE HB3 H 1 2.759 0.020 . 2 . . . . . 177 PHE HB3 . 53820 1 1348 . 1 . 1 177 177 PHE C C 13 174.121 0.3 . 1 . . . . . 177 PHE C . 53820 1 1349 . 1 . 1 177 177 PHE CA C 13 55.960 0.3 . 1 . . . . . 177 PHE CA . 53820 1 1350 . 1 . 1 177 177 PHE CB C 13 41.792 0.3 . 1 . . . . . 177 PHE CB . 53820 1 1351 . 1 . 1 177 177 PHE N N 15 123.630 0.3 . 1 . . . . . 177 PHE N . 53820 1 1352 . 1 . 1 178 178 SER H H 1 9.460 0.020 . 1 . . . . . 178 SER H . 53820 1 1353 . 1 . 1 178 178 SER HA H 1 4.986 0.020 . 1 . . . . . 178 SER HA . 53820 1 1354 . 1 . 1 178 178 SER HB2 H 1 3.797 0.020 . 1 . . . . . 178 SER HB2 . 53820 1 1355 . 1 . 1 178 178 SER HB3 H 1 3.797 0.020 . 1 . . . . . 178 SER HB3 . 53820 1 1356 . 1 . 1 178 178 SER C C 13 174.273 0.3 . 1 . . . . . 178 SER C . 53820 1 1357 . 1 . 1 178 178 SER CA C 13 57.483 0.3 . 1 . . . . . 178 SER CA . 53820 1 1358 . 1 . 1 178 178 SER CB C 13 63.744 0.3 . 1 . . . . . 178 SER CB . 53820 1 1359 . 1 . 1 178 178 SER N N 15 119.356 0.3 . 1 . . . . . 178 SER N . 53820 1 1360 . 1 . 1 179 179 ILE H H 1 9.139 0.020 . 1 . . . . . 179 ILE H . 53820 1 1361 . 1 . 1 179 179 ILE HA H 1 4.890 0.020 . 1 . . . . . 179 ILE HA . 53820 1 1362 . 1 . 1 179 179 ILE HB H 1 1.750 0.020 . 1 . . . . . 179 ILE HB . 53820 1 1363 . 1 . 1 179 179 ILE HG12 H 1 1.560 0.020 . 2 . . . . . 179 ILE HG12 . 53820 1 1364 . 1 . 1 179 179 ILE HG13 H 1 0.749 0.020 . 2 . . . . . 179 ILE HG13 . 53820 1 1365 . 1 . 1 179 179 ILE HD11 H 1 0.827 0.020 . 1 . . . . . 179 ILE QD1 . 53820 1 1366 . 1 . 1 179 179 ILE HD12 H 1 0.827 0.020 . 1 . . . . . 179 ILE QD1 . 53820 1 1367 . 1 . 1 179 179 ILE HD13 H 1 0.827 0.020 . 1 . . . . . 179 ILE QD1 . 53820 1 1368 . 1 . 1 179 179 ILE C C 13 174.744 0.3 . 1 . . . . . 179 ILE C . 53820 1 1369 . 1 . 1 179 179 ILE CA C 13 60.689 0.3 . 1 . . . . . 179 ILE CA . 53820 1 1370 . 1 . 1 179 179 ILE CB C 13 41.265 0.3 . 1 . . . . . 179 ILE CB . 53820 1 1371 . 1 . 1 179 179 ILE CG1 C 13 28.869 0.3 . 1 . . . . . 179 ILE CG1 . 53820 1 1372 . 1 . 1 179 179 ILE CG2 C 13 18.729 0.3 . 1 . . . . . 179 ILE CG2 . 53820 1 1373 . 1 . 1 179 179 ILE CD1 C 13 17.011 0.3 . 1 . . . . . 179 ILE CD1 . 53820 1 1374 . 1 . 1 179 179 ILE N N 15 127.015 0.3 . 1 . . . . . 179 ILE N . 53820 1 1375 . 1 . 1 180 180 LYS H H 1 8.873 0.020 . 1 . . . . . 180 LYS H . 53820 1 1376 . 1 . 1 180 180 LYS HA H 1 5.040 0.020 . 1 . . . . . 180 LYS HA . 53820 1 1377 . 1 . 1 180 180 LYS HB2 H 1 1.665 0.020 . 2 . . . . . 180 LYS HB2 . 53820 1 1378 . 1 . 1 180 180 LYS HB3 H 1 1.642 0.020 . 2 . . . . . 180 LYS HB3 . 53820 1 1379 . 1 . 1 180 180 LYS HG2 H 1 1.267 0.020 . 2 . . . . . 180 LYS HG2 . 53820 1 1380 . 1 . 1 180 180 LYS HG3 H 1 1.254 0.020 . 2 . . . . . 180 LYS HG3 . 53820 1 1381 . 1 . 1 180 180 LYS HD2 H 1 1.565 0.020 . 2 . . . . . 180 LYS HD2 . 53820 1 1382 . 1 . 1 180 180 LYS HD3 H 1 1.551 0.020 . 2 . . . . . 180 LYS HD3 . 53820 1 1383 . 1 . 1 180 180 LYS HE2 H 1 2.825 0.020 . 2 . . . . . 180 LYS HE2 . 53820 1 1384 . 1 . 1 180 180 LYS HE3 H 1 2.805 0.020 . 2 . . . . . 180 LYS HE3 . 53820 1 1385 . 1 . 1 180 180 LYS C C 13 175.383 0.3 . 1 . . . . . 180 LYS C . 53820 1 1386 . 1 . 1 180 180 LYS CA C 13 54.912 0.3 . 1 . . . . . 180 LYS CA . 53820 1 1387 . 1 . 1 180 180 LYS CB C 13 34.753 0.3 . 1 . . . . . 180 LYS CB . 53820 1 1388 . 1 . 1 180 180 LYS CG C 13 24.761 0.3 . 1 . . . . . 180 LYS CG . 53820 1 1389 . 1 . 1 180 180 LYS CD C 13 29.179 0.3 . 1 . . . . . 180 LYS CD . 53820 1 1390 . 1 . 1 180 180 LYS CE C 13 42.100 0.3 . 1 . . . . . 180 LYS CE . 53820 1 1391 . 1 . 1 180 180 LYS N N 15 128.376 0.3 . 1 . . . . . 180 LYS N . 53820 1 1392 . 1 . 1 181 181 TYR H H 1 8.258 0.020 . 1 . . . . . 181 TYR H . 53820 1 1393 . 1 . 1 181 181 TYR HA H 1 5.547 0.020 . 1 . . . . . 181 TYR HA . 53820 1 1394 . 1 . 1 181 181 TYR HB2 H 1 2.573 0.020 . 2 . . . . . 181 TYR HB2 . 53820 1 1395 . 1 . 1 181 181 TYR HB3 H 1 2.561 0.020 . 2 . . . . . 181 TYR HB3 . 53820 1 1396 . 1 . 1 181 181 TYR C C 13 173.710 0.3 . 1 . . . . . 181 TYR C . 53820 1 1397 . 1 . 1 181 181 TYR CA C 13 54.976 0.3 . 1 . . . . . 181 TYR CA . 53820 1 1398 . 1 . 1 181 181 TYR CB C 13 40.635 0.3 . 1 . . . . . 181 TYR CB . 53820 1 1399 . 1 . 1 181 181 TYR N N 15 121.662 0.3 . 1 . . . . . 181 TYR N . 53820 1 1400 . 1 . 1 182 182 GLU H H 1 7.991 0.020 . 1 . . . . . 182 GLU H . 53820 1 1401 . 1 . 1 182 182 GLU HA H 1 4.348 0.020 . 1 . . . . . 182 GLU HA . 53820 1 1402 . 1 . 1 182 182 GLU HB2 H 1 1.842 0.020 . 2 . . . . . 182 GLU HB2 . 53820 1 1403 . 1 . 1 182 182 GLU HB3 H 1 1.809 0.020 . 2 . . . . . 182 GLU HB3 . 53820 1 1404 . 1 . 1 182 182 GLU HG2 H 1 2.167 0.020 . 2 . . . . . 182 GLU HG2 . 53820 1 1405 . 1 . 1 182 182 GLU HG3 H 1 2.153 0.020 . 2 . . . . . 182 GLU HG3 . 53820 1 1406 . 1 . 1 182 182 GLU C C 13 174.486 0.3 . 1 . . . . . 182 GLU C . 53820 1 1407 . 1 . 1 182 182 GLU CA C 13 55.928 0.3 . 1 . . . . . 182 GLU CA . 53820 1 1408 . 1 . 1 182 182 GLU CB C 13 32.302 0.3 . 1 . . . . . 182 GLU CB . 53820 1 1409 . 1 . 1 182 182 GLU CG C 13 36.400 0.3 . 1 . . . . . 182 GLU CG . 53820 1 1410 . 1 . 1 182 182 GLU N N 15 118.815 0.3 . 1 . . . . . 182 GLU N . 53820 1 1411 . 1 . 1 183 183 ASP H H 1 8.203 0.020 . 1 . . . . . 183 ASP H . 53820 1 1412 . 1 . 1 183 183 ASP HA H 1 4.443 0.020 . 1 . . . . . 183 ASP HA . 53820 1 1413 . 1 . 1 183 183 ASP HB2 H 1 2.644 0.020 . 2 . . . . . 183 ASP HB2 . 53820 1 1414 . 1 . 1 183 183 ASP HB3 H 1 2.603 0.020 . 2 . . . . . 183 ASP HB3 . 53820 1 1415 . 1 . 1 183 183 ASP C C 13 180.852 0.3 . 1 . . . . . 183 ASP C . 53820 1 1416 . 1 . 1 183 183 ASP CA C 13 55.620 0.3 . 1 . . . . . 183 ASP CA . 53820 1 1417 . 1 . 1 183 183 ASP CB C 13 42.211 0.3 . 1 . . . . . 183 ASP CB . 53820 1 1418 . 1 . 1 183 183 ASP N N 15 127.910 0.3 . 1 . . . . . 183 ASP N . 53820 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 53820 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name Ns_H-NOX_ZnPPIX _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H1 #INAME 2 N15 1 7.735 121.772 0 U 0.000e+000 0.00e+000 - 0 767 768 0 # H/N I25 2 9.193 126.105 0 U 0.000e+000 0.00e+000 - 0 590 591 0 # H/N C122 3 8.351 118.899 0 U 0.000e+000 0.00e+000 - 0 254 255 0 # H/N V58 4 8.514 118.144 0 U 0.000e+000 0.00e+000 - 0 59 60 0 # H/N D92 5 7.911 114.703 0 U 0.000e+000 0.00e+000 - 0 105 106 0 # H/N H16 6 8.715 114.748 0 U 0.000e+000 0.00e+000 - 0 145 146 0 # H/N T158 7 8.719 116.925 0 U 0.000e+000 0.00e+000 - 0 177 178 0 # H/N T137 8 7.795 111.953 0 U 0.000e+000 0.00e+000 - 0 1335 1336 0 # H/N S89 9 9.469 129.783 0 U 0.000e+000 0.00e+000 - 0 506 507 0 # H/N Q164 10 8.016 117.923 0 U 0.000e+000 0.00e+000 - 0 893 894 0 # H/N L149 11 7.755 120.141 0 U 0.000e+000 0.00e+000 - 0 775 776 0 # H/N T21 12 8.408 107.650 0 U 0.000e+000 0.00e+000 - 0 1106 1107 0 # H/N G153 13 8.053 106.153 0 U 0.000e+000 0.00e+000 - 0 1132 1133 0 # H/N G109 14 7.991 118.815 0 U 0.000e+000 0.00e+000 - 0 399 400 0 # H/N E182 15 9.176 116.543 0 U 0.000e+000 0.00e+000 - 0 635 636 0 # H/N S44 16 7.939 118.133 0 U 0.000e+000 0.00e+000 - 0 899 900 0 # H/N V52 17 7.016 123.508 0 U 0.000e+000 0.00e+000 - 0 715 716 0 # H/N L101 18 6.847 115.692 0 U 0.000e+000 0.00e+000 - 0 1253 1254 0 # H/N E65 19 7.899 119.652 0 U 0.000e+000 0.00e+000 - 0 1631 1632 0 # H/N Q157 20 8.437 114.244 0 U 0.000e+000 0.00e+000 - 0 46 47 0 # H/N H17 21 7.863 122.527 0 U 0.000e+000 0.00e+000 - 0 347 348 0 # H/N K28 22 3.119 128.798 0 U 0.000e+000 0.00e+000 - 0 3325 547 0 # ?/N Q135 23 7.601 120.887 0 U 0.000e+000 0.00e+000 - 0 789 790 0 # H/N L86 24 7.849 120.951 0 U 0.000e+000 0.00e+000 - 0 813 814 0 # H/N E41 25 8.258 121.662 0 U 0.000e+000 0.00e+000 - 0 376 377 0 # H/N Y181 26 7.710 111.614 0 U 0.000e+000 0.00e+000 - 0 2891 2892 0 # H/N S111 27 8.035 122.667 0 U 0.000e+000 0.00e+000 - 0 1756 1757 0 # H/N V108 28 8.203 127.910 0 U 0.000e+000 0.00e+000 - 0 10 11 0 # H/N D183 29 7.818 121.383 0 U 0.000e+000 0.00e+000 - 0 832 833 0 # H/N R155 30 8.797 120.847 0 U 0.000e+000 0.00e+000 - 0 241 242 0 # H/N L94 31 6.359 114.487 0 U 0.000e+000 0.00e+000 - 0 1203 1204 0 # H/N S79 32 9.494 124.578 0 U 0.000e+000 0.00e+000 - 0 458 459 0 # H/N R138 33 8.900 122.203 0 U 0.000e+000 0.00e+000 - 0 628 629 0 # H/N T163 34 8.559 121.154 0 U 0.000e+000 0.00e+000 - 0 693 694 0 # H/N E121 35 7.231 123.385 0 U 0.000e+000 0.00e+000 - 0 731 732 0 # H/N A166 36 7.712 118.087 0 U 0.000e+000 0.00e+000 - 0 1045 1046 0 # H/N H150 37 7.126 113.749 0 U 0.000e+000 0.00e+000 - 0 1266 1267 0 # H/N F36 38 9.274 121.698 0 U 0.000e+000 0.00e+000 - 0 426 427 0 # H/N E131 39 8.873 128.376 0 U 0.000e+000 0.00e+000 - 0 538 539 0 # H/N K180 40 7.199 118.691 0 U 0.000e+000 0.00e+000 - 0 990 991 0 # H/N L110 41 7.339 117.501 0 U 0.000e+000 0.00e+000 - 0 1024 1025 0 # H/N K61 42 7.565 120.360 0 U 0.000e+000 0.00e+000 - 0 805 806 0 # H/N F112 43 9.022 107.860 0 U 0.000e+000 0.00e+000 - 0 1090 1091 0 # H/N G151 44 8.210 124.277 0 U 0.000e+000 0.00e+000 - 0 381 382 0 # H/N A54 45 7.736 123.973 0 U 0.000e+000 0.00e+000 - 0 1450 1451 0 # H/N A106 46 7.376 117.846 0 U 0.000e+000 0.00e+000 - 0 1022 1023 0 # H/N V47 47 7.415 115.850 0 U 0.000e+000 0.00e+000 - 0 1059 1060 0 # H/N E99 48 8.252 106.096 0 U 0.000e+000 0.00e+000 - 0 1751 1752 0 # H/N G53 49 8.005 123.344 0 U 0.000e+000 0.00e+000 - 0 853 854 0 # H/N L104 50 7.405 107.265 0 U 0.000e+000 0.00e+000 - 0 1154 1155 0 # H/N T170 51 7.900 112.467 0 U 0.000e+000 0.00e+000 - 0 137 138 0 # H/N M40 52 7.882 117.929 0 U 0.000e+000 0.00e+000 - 0 902 903 0 # H/N L87 53 7.421 120.557 0 U 0.000e+000 0.00e+000 - 0 944 945 0 # H/N A24 54 7.466 103.103 0 U 0.000e+000 0.00e+000 - 0 1690 1691 0 # H/N G147 55 9.588 126.302 0 U 0.000e+000 0.00e+000 - 0 464 465 0 # H/N L132 56 8.873 109.893 0 U 0.000e+000 0.00e+000 - 0 1316 1317 0 # H/N G84 57 8.987 127.266 0 U 0.000e+000 0.00e+000 - 0 522 523 0 # H/N A63 58 9.007 122.392 0 U 0.000e+000 0.00e+000 - 0 606 607 0 # H/N E19 59 8.452 114.513 0 U 0.000e+000 0.00e+000 - 0 1655 1656 0 # H/N Q114 60 7.774 120.891 0 U 0.000e+000 0.00e+000 - 0 829 830 0 # H/N E80 61 8.751 120.886 0 U 0.000e+000 0.00e+000 - 0 249 250 0 # H/N D102 62 8.559 124.784 0 U 0.000e+000 0.00e+000 - 0 386 387 0 # H/N A139 63 8.059 118.379 0 U 0.000e+000 0.00e+000 - 0 885 886 0 # H/N A29 64 7.910 117.931 0 U 0.000e+000 0.00e+000 - 0 905 906 0 # H/N Y83 65 5.908 114.796 0 U 0.000e+000 0.00e+000 - 0 1443 1444 0 # H/N N6 66 7.932 116.599 0 U 0.000e+000 0.00e+000 - 0 154 155 0 # H/N K128 67 8.395 124.245 0 U 0.000e+000 0.00e+000 - 0 1499 1500 0 # H/N Y77 68 8.294 116.202 0 U 0.000e+000 0.00e+000 - 0 18 19 0 # H/N S136 69 7.451 106.479 0 U 0.000e+000 0.00e+000 - 0 1146 1147 0 # H/N H174 70 8.153 118.985 0 U 0.000e+000 0.00e+000 - 0 1 2 0 # H/N F97 71 7.883 124.012 0 U 0.000e+000 0.00e+000 - 0 355 356 0 # H/N L115 72 9.263 119.109 0 U 0.000e+000 0.00e+000 - 0 415 416 0 # H/N M130 73 7.333 111.947 0 U 0.000e+000 0.00e+000 - 0 1343 1344 0 # H/N S93 74 8.159 118.982 0 U 0.000e+000 0.00e+000 - 0 1650 1651 0 # H/N V160 75 7.597 105.665 0 U 0.000e+000 0.00e+000 - 0 1138 1139 0 # H/N G30 76 8.316 119.110 0 U 0.000e+000 0.00e+000 - 0 262 263 0 # H/N D175 77 8.072 113.681 0 U 0.000e+000 0.00e+000 - 0 121 122 0 # H/N M98 78 8.696 119.127 0 U 0.000e+000 0.00e+000 - 0 208 209 0 # H/N E32 79 9.206 119.025 0 U 0.000e+000 0.00e+000 - 0 421 422 0 # H/N F37 80 9.460 119.356 0 U 0.000e+000 0.00e+000 - 0 442 443 0 # H/N S178 81 7.331 111.316 0 U 0.000e+000 0.00e+000 - 0 1364 1365 0 # H/N S129 82 8.590 128.751 0 U 0.000e+000 0.00e+000 - 0 554 555 0 # H/N K159 83 8.507 115.762 0 U 0.000e+000 0.00e+000 - 0 34 35 0 # H/N S14 84 10.117 123.785 0 U 0.000e+000 0.00e+000 - 0 1762 1763 0 # H/N F120 85 7.282 105.873 0 U 0.000e+000 0.00e+000 - 0 1162 1163 0 # H/N T78 86 8.565 119.891 0 U 0.000e+000 0.00e+000 - 0 223 224 0 # H/N D173 87 8.863 124.993 0 U 0.000e+000 0.00e+000 - 0 407 408 0 # H/N E161 88 9.872 118.516 0 U 0.000e+000 0.00e+000 - 0 482 483 0 # H/N E169 89 7.307 118.473 0 U 0.000e+000 0.00e+000 - 0 984 985 0 # H/N R107 90 8.041 121.514 0 U 0.000e+000 0.00e+000 - 0 762 763 0 # H/N L51 91 8.178 120.136 0 U 0.000e+000 0.00e+000 - 0 1780 1781 0 # H/N A88 92 6.458 115.439 0 U 0.000e+000 0.00e+000 - 0 1218 1219 0 # H/N E96 93 8.096 112.710 0 U 0.000e+000 0.00e+000 - 0 129 130 0 # H/N S56 94 9.084 128.810 0 U 0.000e+000 0.00e+000 - 0 490 491 0 # H/N R168 95 8.075 120.646 0 U 0.000e+000 0.00e+000 - 0 930 931 0 # H/N K26 96 7.248 123.148 0 U 0.000e+000 0.00e+000 - 0 736 737 0 # H/N A90 97 7.345 119.276 0 U 0.000e+000 0.00e+000 - 0 975 976 0 # H/N E72 98 7.196 119.344 0 U 0.000e+000 0.00e+000 - 0 1007 1008 0 # H/N I176 99 8.430 127.217 0 U 0.000e+000 0.00e+000 - 0 659 660 0 # H/N D35 100 7.258 103.069 0 U 0.000e+000 0.00e+000 - 0 1184 1185 0 # H/N G82 101 8.206 117.009 0 U 0.000e+000 0.00e+000 - 0 97 98 0 # H/N E23 102 9.810 128.607 0 U 0.000e+000 0.00e+000 - 0 472 473 0 # H/N H133 103 7.569 112.889 0 U 0.000e+000 0.00e+000 - 0 1392 1393 0 # H/N F156 104 7.430 120.591 0 U 0.000e+000 0.00e+000 - 0 941 942 0 # H/N I34 105 7.953 108.128 0 U 0.000e+000 0.00e+000 - 0 1125 1126 0 # H/N G171 106 8.350 117.588 0 U 0.000e+000 0.00e+000 - 0 82 83 0 # H/N D46 107 8.902 128.798 0 U 0.000e+000 0.00e+000 - 0 546 547 0 # H/N Q135 108 8.972 122.069 0 U 0.000e+000 0.00e+000 - 0 613 614 0 # H/N E85 109 8.482 115.209 0 U 0.000e+000 0.00e+000 - 0 53 54 0 # H/N S126 110 7.569 118.920 0 U 0.000e+000 0.00e+000 - 0 1712 1713 0 # H/N V145 111 7.575 108.651 0 U 0.000e+000 0.00e+000 - 0 1191 1192 0 # H/N G60 112 7.506 115.704 0 U 0.000e+000 0.00e+000 - 0 1073 1074 0 # H/N Q27 113 8.374 115.425 0 U 0.000e+000 0.00e+000 - 0 3 4 0 # H/N T125 114 9.312 114.578 0 U 0.000e+000 0.00e+000 - 0 450 451 0 # H/N E64 115 7.617 110.625 0 U 0.000e+000 0.00e+000 - 0 1328 1329 0 # H/N G18 116 9.044 126.455 0 U 0.000e+000 0.00e+000 - 0 530 531 0 # H/N V162 117 8.462 114.705 0 U 0.000e+000 0.00e+000 - 0 39 40 0 # H/N L59 118 7.063 101.376 0 U 0.000e+000 0.00e+000 - 0 1177 1178 0 # H/N G91 119 9.173 123.630 0 U 0.000e+000 0.00e+000 - 0 434 435 0 # H/N F177 120 8.720 106.326 0 U 0.000e+000 0.00e+000 - 0 1113 1114 0 # H/N G140 121 9.518 129.172 0 U 0.000e+000 0.00e+000 - 0 498 499 0 # H/N R116 122 7.449 119.558 0 U 0.000e+000 0.00e+000 - 0 957 958 0 # H/N E57 123 9.018 118.960 0 U 0.000e+000 0.00e+000 - 0 200 201 0 # H/N H50 124 9.139 127.015 0 U 0.000e+000 0.00e+000 - 0 514 515 0 # H/N I179 125 9.008 125.116 0 U 0.000e+000 0.00e+000 - 0 570 571 0 # H/N Q123 126 7.359 119.615 0 U 0.000e+000 0.00e+000 - 0 971 972 0 # H/N K154 127 7.898 121.189 0 U 0.000e+000 0.00e+000 - 0 817 818 0 # H/N N103 128 10.082 107.630 0 U 0.000e+000 0.00e+000 - 0 1474 1475 0 # H/N G3 129 8.920 121.852 0 U 0.000e+000 0.00e+000 - 0 620 621 0 # H/N F167 130 8.485 127.124 0 U 0.000e+000 0.00e+000 - 0 651 652 0 # H/N A42 131 7.602 119.179 0 U 0.000e+000 0.00e+000 - 0 1015 1016 0 # H/N L31 132 8.164 114.302 0 U 0.000e+000 0.00e+000 - 0 1703 1704 0 # H/N L141 133 8.570 120.122 0 U 0.000e+000 0.00e+000 - 0 1539 1540 0 # H/N A55 134 7.577 116.639 0 U 0.000e+000 0.00e+000 - 0 1037 1038 0 # H/N E81 135 6.936 114.474 0 U 0.000e+000 0.00e+000 - 0 1261 1262 0 # H/N T48 136 8.381 116.869 0 U 0.000e+000 0.00e+000 - 0 75 76 0 # H/N T165 137 8.757 126.467 0 U 0.000e+000 0.00e+000 - 0 562 563 0 # H/N Y134 138 1.940 114.513 0 U 0.000e+000 0.00e+000 - 0 3339 1656 0 # ?/N Q114 139 7.199 119.007 0 U 0.000e+000 0.00e+000 - 0 987 988 0 # H/N E172 140 8.910 118.627 0 U 0.000e+000 0.00e+000 - 0 192 193 0 # H/N D20 141 8.444 115.966 0 U 0.000e+000 0.00e+000 - 0 26 27 0 # H/N D33 142 7.674 120.775 0 U 0.000e+000 0.00e+000 - 0 782 783 0 # H/N W22 143 7.551 120.796 0 U 0.000e+000 0.00e+000 - 0 796 797 0 # H/N Y43 144 7.504 116.012 0 U 0.000e+000 0.00e+000 - 0 1067 1068 0 # H/N N100 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . 'not observed' 14.6167 ppm . . . . . . 53820 1 2 . . N 15 N . 'not observed' 41.5393 ppm . . . . . . 53820 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_1 . . 53820 1 stop_ save_ ######################### # Other kinds of data # ######################### save_other_data_types_1 _Other_data_type_list.Sf_category other_data_types _Other_data_type_list.Sf_framecode other_data_types_1 _Other_data_type_list.Entry_ID 53820 _Other_data_type_list.ID 1 _Other_data_type_list.Name 'Ns H-NOX C139A' _Other_data_type_list.Definition 'Protein sequence' _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $sample_conditions_1 _Other_data_type_list.Chem_shift_reference_ID . _Other_data_type_list.Chem_shift_reference_label . _Other_data_type_list.Details 'Protein sequence' _Other_data_type_list.Text_data_format text _Other_data_type_list.Text_data ; >tr|Q8YUQ7|Q8YUQ7_NOSS1 Alr2278 protein OS=Nostoc sp. (strain PCC 7120 / SAG 25.82 / UTEX 2576) OX=103690 GN=alr2278 PE=1 SV=1 MYGLVNKAIQDMISKHHGEDTWEAIKQKAGLEDIDFFVGMEAYSDDVTYHLVGAASEVLG KPAEELLIAFGEYWVTYTSEEGYGELLASAGDSLPEFMENLDNLHARVGLSFPQLRPPAF ECQHTSSKSMELHYQSTRAGLAPMVLGLLHGLGKRFQTKVEVTQTAFRETGEDHDIFSIK YEDLEHHHHHH ; loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 '2D 1H-15N HSQC' . . . 53820 1 10 '3D (H)CCH-TOCSY' . . . 53820 1 11 '3D 1H-15N NOESY' . . . 53820 1 2 '2D 1H-13C HSQC' . . . 53820 1 3 '3D HNCA' . . . 53820 1 4 '3D HNCO' . . . 53820 1 5 '3D HN(CA)CO' . . . 53820 1 6 '3D HNCACB' . . . 53820 1 7 '3D HN(CO)CACB' . . . 53820 1 8 '3D HNHA' . . . 53820 1 9 '3D HBHA(CO)NH' . . . 53820 1 stop_ loop_ _Other_data_software.Software_ID _Other_data_software.Software_label _Other_data_software.Method_ID _Other_data_software.Method_label _Other_data_software.Entry_ID _Other_data_software.Other_data_type_list_ID 1 $software_1 . . 53820 1 stop_ save_