data_26374 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26374 _Entry.Title ; Solid-state NMR 13C and 15N resonance assignments of a seven-transmembrane helical protein, schizorhodopsin 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-09-19 _Entry.Accession_date 2025-10-31 _Entry.Last_release_date 2025-10-31 _Entry.Original_release_date 2025-10-31 _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 solid-state _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Akito Kitaguchi . . . . 26374 2 Toshio Nagashima . . . . 26374 3 Takumi Kanazawa . . . . 26374 4 Toshio Yamazaki . . . . 26374 5 Keiichi Inoue . . . . 26374 6 Izuru Kawamura . . . . 26374 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26374 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 609 26374 '15N chemical shifts' 155 26374 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 . . 2026-06-04 . original BMRB . 26374 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26374 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42001687 _Citation.DOI 10.1016/j.bpc.2026.107635 _Citation.Full_citation . _Citation.Title ; Site-resolved (13)C/(15)N solid-state nuclear magnetic resonance analysis of schizorhodopsin 1 in lipid bilayers. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. Chem.' _Citation.Journal_name_full 'Biophysical chemistry' _Citation.Journal_volume 335 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0301-4622 _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 107635 _Citation.Page_last 107635 _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 Akito Kitaguchi A. . . . 26374 1 2 Takumi Kanazawa T. . . . 26374 1 3 Toshio Nagashima T. . . . 26374 1 4 Toshio Yamazaki T. . . . 26374 1 5 Takashi Okitsu T. . . . 26374 1 6 Keiichi Inoue K. . . . 26374 1 7 Izuru Kawamura I. . . . 26374 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Membrane protein, solid-state NMR' 26374 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26374 _Assembly.ID 1 _Assembly.Name SzR1 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _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 SzR1 1 $entity_1 . . yes native no no . . . 26374 1 2 RETINAL 2 $entity_RET . . no native no no . . . 26374 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26374 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; MEEIIFYIGAGVFTLTSITF FLLKKKNLEVASLNMIVNFV TIASYLLMVSGLFVASAVSG DSIYWTRWAFYAVSCSFLMV EISMLLSIDKSIKLEIIVFN CLVMITGLLASVSEGIIKWL FFTLSSVAYLYVLFQIIKHR SNEKFIVAFVAIFWSGFPII WILSPAGLMLIDAFWTALFY LVLDLITKVYFGYHTTLKFS K ; _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 201 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _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_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 MET . 26374 1 2 2 GLU . 26374 1 3 3 GLU . 26374 1 4 4 ILE . 26374 1 5 5 ILE . 26374 1 6 6 PHE . 26374 1 7 7 TYR . 26374 1 8 8 ILE . 26374 1 9 9 GLY . 26374 1 10 10 ALA . 26374 1 11 11 GLY . 26374 1 12 12 VAL . 26374 1 13 13 PHE . 26374 1 14 14 THR . 26374 1 15 15 LEU . 26374 1 16 16 THR . 26374 1 17 17 SER . 26374 1 18 18 ILE . 26374 1 19 19 THR . 26374 1 20 20 PHE . 26374 1 21 21 PHE . 26374 1 22 22 LEU . 26374 1 23 23 LEU . 26374 1 24 24 LYS . 26374 1 25 25 LYS . 26374 1 26 26 LYS . 26374 1 27 27 ASN . 26374 1 28 28 LEU . 26374 1 29 29 GLU . 26374 1 30 30 VAL . 26374 1 31 31 ALA . 26374 1 32 32 SER . 26374 1 33 33 LEU . 26374 1 34 34 ASN . 26374 1 35 35 MET . 26374 1 36 36 ILE . 26374 1 37 37 VAL . 26374 1 38 38 ASN . 26374 1 39 39 PHE . 26374 1 40 40 VAL . 26374 1 41 41 THR . 26374 1 42 42 ILE . 26374 1 43 43 ALA . 26374 1 44 44 SER . 26374 1 45 45 TYR . 26374 1 46 46 LEU . 26374 1 47 47 LEU . 26374 1 48 48 MET . 26374 1 49 49 VAL . 26374 1 50 50 SER . 26374 1 51 51 GLY . 26374 1 52 52 LEU . 26374 1 53 53 PHE . 26374 1 54 54 VAL . 26374 1 55 55 ALA . 26374 1 56 56 SER . 26374 1 57 57 ALA . 26374 1 58 58 VAL . 26374 1 59 59 SER . 26374 1 60 60 GLY . 26374 1 61 61 ASP . 26374 1 62 62 SER . 26374 1 63 63 ILE . 26374 1 64 64 TYR . 26374 1 65 65 TRP . 26374 1 66 66 THR . 26374 1 67 67 ARG . 26374 1 68 68 TRP . 26374 1 69 69 ALA . 26374 1 70 70 PHE . 26374 1 71 71 TYR . 26374 1 72 72 ALA . 26374 1 73 73 VAL . 26374 1 74 74 SER . 26374 1 75 75 CYS . 26374 1 76 76 SER . 26374 1 77 77 PHE . 26374 1 78 78 LEU . 26374 1 79 79 MET . 26374 1 80 80 VAL . 26374 1 81 81 GLU . 26374 1 82 82 ILE . 26374 1 83 83 SER . 26374 1 84 84 MET . 26374 1 85 85 LEU . 26374 1 86 86 LEU . 26374 1 87 87 SER . 26374 1 88 88 ILE . 26374 1 89 89 ASP . 26374 1 90 90 LYS . 26374 1 91 91 SER . 26374 1 92 92 ILE . 26374 1 93 93 LYS . 26374 1 94 94 LEU . 26374 1 95 95 GLU . 26374 1 96 96 ILE . 26374 1 97 97 ILE . 26374 1 98 98 VAL . 26374 1 99 99 PHE . 26374 1 100 100 ASN . 26374 1 101 101 CYS . 26374 1 102 102 LEU . 26374 1 103 103 VAL . 26374 1 104 104 MET . 26374 1 105 105 ILE . 26374 1 106 106 THR . 26374 1 107 107 GLY . 26374 1 108 108 LEU . 26374 1 109 109 LEU . 26374 1 110 110 ALA . 26374 1 111 111 SER . 26374 1 112 112 VAL . 26374 1 113 113 SER . 26374 1 114 114 GLU . 26374 1 115 115 GLY . 26374 1 116 116 ILE . 26374 1 117 117 ILE . 26374 1 118 118 LYS . 26374 1 119 119 TRP . 26374 1 120 120 LEU . 26374 1 121 121 PHE . 26374 1 122 122 PHE . 26374 1 123 123 THR . 26374 1 124 124 LEU . 26374 1 125 125 SER . 26374 1 126 126 SER . 26374 1 127 127 VAL . 26374 1 128 128 ALA . 26374 1 129 129 TYR . 26374 1 130 130 LEU . 26374 1 131 131 TYR . 26374 1 132 132 VAL . 26374 1 133 133 LEU . 26374 1 134 134 PHE . 26374 1 135 135 GLN . 26374 1 136 136 ILE . 26374 1 137 137 ILE . 26374 1 138 138 LYS . 26374 1 139 139 HIS . 26374 1 140 140 ARG . 26374 1 141 141 SER . 26374 1 142 142 ASN . 26374 1 143 143 GLU . 26374 1 144 144 LYS . 26374 1 145 145 PHE . 26374 1 146 146 ILE . 26374 1 147 147 VAL . 26374 1 148 148 ALA . 26374 1 149 149 PHE . 26374 1 150 150 VAL . 26374 1 151 151 ALA . 26374 1 152 152 ILE . 26374 1 153 153 PHE . 26374 1 154 154 TRP . 26374 1 155 155 SER . 26374 1 156 156 GLY . 26374 1 157 157 PHE . 26374 1 158 158 PRO . 26374 1 159 159 ILE . 26374 1 160 160 ILE . 26374 1 161 161 TRP . 26374 1 162 162 ILE . 26374 1 163 163 LEU . 26374 1 164 164 SER . 26374 1 165 165 PRO . 26374 1 166 166 ALA . 26374 1 167 167 GLY . 26374 1 168 168 LEU . 26374 1 169 169 MET . 26374 1 170 170 LEU . 26374 1 171 171 ILE . 26374 1 172 172 ASP . 26374 1 173 173 ALA . 26374 1 174 174 PHE . 26374 1 175 175 TRP . 26374 1 176 176 THR . 26374 1 177 177 ALA . 26374 1 178 178 LEU . 26374 1 179 179 PHE . 26374 1 180 180 TYR . 26374 1 181 181 LEU . 26374 1 182 182 VAL . 26374 1 183 183 LEU . 26374 1 184 184 ASP . 26374 1 185 185 LEU . 26374 1 186 186 ILE . 26374 1 187 187 THR . 26374 1 188 188 LYS . 26374 1 189 189 VAL . 26374 1 190 190 TYR . 26374 1 191 191 PHE . 26374 1 192 192 GLY . 26374 1 193 193 TYR . 26374 1 194 194 HIS . 26374 1 195 195 THR . 26374 1 196 196 THR . 26374 1 197 197 LEU . 26374 1 198 198 LYS . 26374 1 199 199 PHE . 26374 1 200 200 SER . 26374 1 201 201 LYS . 26374 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 26374 1 . GLU 2 2 26374 1 . GLU 3 3 26374 1 . ILE 4 4 26374 1 . ILE 5 5 26374 1 . PHE 6 6 26374 1 . TYR 7 7 26374 1 . ILE 8 8 26374 1 . GLY 9 9 26374 1 . ALA 10 10 26374 1 . GLY 11 11 26374 1 . VAL 12 12 26374 1 . PHE 13 13 26374 1 . THR 14 14 26374 1 . LEU 15 15 26374 1 . THR 16 16 26374 1 . SER 17 17 26374 1 . ILE 18 18 26374 1 . THR 19 19 26374 1 . PHE 20 20 26374 1 . PHE 21 21 26374 1 . LEU 22 22 26374 1 . LEU 23 23 26374 1 . LYS 24 24 26374 1 . LYS 25 25 26374 1 . LYS 26 26 26374 1 . ASN 27 27 26374 1 . LEU 28 28 26374 1 . GLU 29 29 26374 1 . VAL 30 30 26374 1 . ALA 31 31 26374 1 . SER 32 32 26374 1 . LEU 33 33 26374 1 . ASN 34 34 26374 1 . MET 35 35 26374 1 . ILE 36 36 26374 1 . VAL 37 37 26374 1 . ASN 38 38 26374 1 . PHE 39 39 26374 1 . VAL 40 40 26374 1 . THR 41 41 26374 1 . ILE 42 42 26374 1 . ALA 43 43 26374 1 . SER 44 44 26374 1 . TYR 45 45 26374 1 . LEU 46 46 26374 1 . LEU 47 47 26374 1 . MET 48 48 26374 1 . VAL 49 49 26374 1 . SER 50 50 26374 1 . GLY 51 51 26374 1 . LEU 52 52 26374 1 . PHE 53 53 26374 1 . VAL 54 54 26374 1 . ALA 55 55 26374 1 . SER 56 56 26374 1 . ALA 57 57 26374 1 . VAL 58 58 26374 1 . SER 59 59 26374 1 . GLY 60 60 26374 1 . ASP 61 61 26374 1 . SER 62 62 26374 1 . ILE 63 63 26374 1 . TYR 64 64 26374 1 . TRP 65 65 26374 1 . THR 66 66 26374 1 . ARG 67 67 26374 1 . TRP 68 68 26374 1 . ALA 69 69 26374 1 . PHE 70 70 26374 1 . TYR 71 71 26374 1 . ALA 72 72 26374 1 . VAL 73 73 26374 1 . SER 74 74 26374 1 . CYS 75 75 26374 1 . SER 76 76 26374 1 . PHE 77 77 26374 1 . LEU 78 78 26374 1 . MET 79 79 26374 1 . VAL 80 80 26374 1 . GLU 81 81 26374 1 . ILE 82 82 26374 1 . SER 83 83 26374 1 . MET 84 84 26374 1 . LEU 85 85 26374 1 . LEU 86 86 26374 1 . SER 87 87 26374 1 . ILE 88 88 26374 1 . ASP 89 89 26374 1 . LYS 90 90 26374 1 . SER 91 91 26374 1 . ILE 92 92 26374 1 . LYS 93 93 26374 1 . LEU 94 94 26374 1 . GLU 95 95 26374 1 . ILE 96 96 26374 1 . ILE 97 97 26374 1 . VAL 98 98 26374 1 . PHE 99 99 26374 1 . ASN 100 100 26374 1 . CYS 101 101 26374 1 . LEU 102 102 26374 1 . VAL 103 103 26374 1 . MET 104 104 26374 1 . ILE 105 105 26374 1 . THR 106 106 26374 1 . GLY 107 107 26374 1 . LEU 108 108 26374 1 . LEU 109 109 26374 1 . ALA 110 110 26374 1 . SER 111 111 26374 1 . VAL 112 112 26374 1 . SER 113 113 26374 1 . GLU 114 114 26374 1 . GLY 115 115 26374 1 . ILE 116 116 26374 1 . ILE 117 117 26374 1 . LYS 118 118 26374 1 . TRP 119 119 26374 1 . LEU 120 120 26374 1 . PHE 121 121 26374 1 . PHE 122 122 26374 1 . THR 123 123 26374 1 . LEU 124 124 26374 1 . SER 125 125 26374 1 . SER 126 126 26374 1 . VAL 127 127 26374 1 . ALA 128 128 26374 1 . TYR 129 129 26374 1 . LEU 130 130 26374 1 . TYR 131 131 26374 1 . VAL 132 132 26374 1 . LEU 133 133 26374 1 . PHE 134 134 26374 1 . GLN 135 135 26374 1 . ILE 136 136 26374 1 . ILE 137 137 26374 1 . LYS 138 138 26374 1 . HIS 139 139 26374 1 . ARG 140 140 26374 1 . SER 141 141 26374 1 . ASN 142 142 26374 1 . GLU 143 143 26374 1 . LYS 144 144 26374 1 . PHE 145 145 26374 1 . ILE 146 146 26374 1 . VAL 147 147 26374 1 . ALA 148 148 26374 1 . PHE 149 149 26374 1 . VAL 150 150 26374 1 . ALA 151 151 26374 1 . ILE 152 152 26374 1 . PHE 153 153 26374 1 . TRP 154 154 26374 1 . SER 155 155 26374 1 . GLY 156 156 26374 1 . PHE 157 157 26374 1 . PRO 158 158 26374 1 . ILE 159 159 26374 1 . ILE 160 160 26374 1 . TRP 161 161 26374 1 . ILE 162 162 26374 1 . LEU 163 163 26374 1 . SER 164 164 26374 1 . PRO 165 165 26374 1 . ALA 166 166 26374 1 . GLY 167 167 26374 1 . LEU 168 168 26374 1 . MET 169 169 26374 1 . LEU 170 170 26374 1 . ILE 171 171 26374 1 . ASP 172 172 26374 1 . ALA 173 173 26374 1 . PHE 174 174 26374 1 . TRP 175 175 26374 1 . THR 176 176 26374 1 . ALA 177 177 26374 1 . LEU 178 178 26374 1 . PHE 179 179 26374 1 . TYR 180 180 26374 1 . LEU 181 181 26374 1 . VAL 182 182 26374 1 . LEU 183 183 26374 1 . ASP 184 184 26374 1 . LEU 185 185 26374 1 . ILE 186 186 26374 1 . THR 187 187 26374 1 . LYS 188 188 26374 1 . VAL 189 189 26374 1 . TYR 190 190 26374 1 . PHE 191 191 26374 1 . GLY 192 192 26374 1 . TYR 193 193 26374 1 . HIS 194 194 26374 1 . THR 195 195 26374 1 . THR 196 196 26374 1 . LEU 197 197 26374 1 . LYS 198 198 26374 1 . PHE 199 199 26374 1 . SER 200 200 26374 1 . LYS 201 201 26374 1 stop_ save_ save_entity_RET _Entity.Sf_category entity _Entity.Sf_framecode entity_RET _Entity.Entry_ID 26374 _Entity.ID 2 _Entity.BMRB_code RET _Entity.Name entity_RET _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 RET _Entity.Nonpolymer_comp_label $chem_comp_RET _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 284.436 _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 RETINAL BMRB 26374 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID RETINAL BMRB 26374 2 RET 'Three letter code' 26374 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 RET $chem_comp_RET 26374 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 26374 _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 . 2053489 organism . 'Promethearchaeota archaeon' 'Promethearchaeota archaeon' . . . Promethearchaeati Promethearchaeota 'Promethearchaeota archaeon' . . . . . . . . . . . . . 26374 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 26374 _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' 'E. coli' . 562 Escherichia coli . . . plasmid . . pET21a(+) . . . 26374 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RET _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RET _Chem_comp.Entry_ID 26374 _Chem_comp.ID RET _Chem_comp.Provenance PDB _Chem_comp.Name RETINAL _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code RET _Chem_comp.PDB_code RET _Chem_comp.Ambiguous_flag no _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 RET _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 21 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ ; _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 'C20 H28 O' _Chem_comp.Formula_weight 284.436 _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 Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1OPB _Chem_comp.Processing_site EBI _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 CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C SMILES CACTVS 3.370 26374 RET CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C SMILES_CANONICAL CACTVS 3.370 26374 RET CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.0 26374 RET CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C SMILES 'OpenEye OEToolkits' 1.7.0 26374 RET ; InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ ; InChI InChI 1.03 26374 RET NCYCYZXNIZJOKI-OVSJKPMPSA-N InChIKey InChI 1.03 26374 RET O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C SMILES ACDLabs 12.01 26374 RET stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.0 26374 RET retinal 'SYSTEMATIC NAME' ACDLabs 12.01 26374 RET 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 C1 C1 C1 C1 . C . . N 0 . . . 1 N N . . . . -5.590 . 13.158 . 53.080 . -4.327 0.909 -0.480 1 . 26374 RET C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . -4.929 . 11.803 . 53.442 . -5.466 0.132 -1.143 2 . 26374 RET C3 C3 C3 C3 . C . . N 0 . . . 1 N N . . . . -3.621 . 11.861 . 53.982 . -5.998 -0.901 -0.142 3 . 26374 RET C4 C4 C4 C4 . C . . N 0 . . . 1 N N . . . . -2.648 . 12.661 . 53.187 . -4.921 -1.966 0.075 4 . 26374 RET C5 C5 C5 C5 . C . . N 0 . . . 1 N N . . . . -3.256 . 13.719 . 52.298 . -3.604 -1.314 0.380 5 . 26374 RET C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . -4.574 . 14.002 . 52.251 . -3.340 -0.042 0.131 6 . 26374 RET C7 C7 C7 C7 . C . . N 0 . . . 1 N N . . . . -5.044 . 15.082 . 51.321 . -2.051 0.450 0.458 7 . 26374 RET C8 C8 C8 C8 . C . . N 0 . . . 1 N N . . . . -6.101 . 15.895 . 51.358 . -0.944 -0.145 -0.059 8 . 26374 RET C9 C9 C9 C9 . C . . N 0 . . . 1 N N . . . . -6.459 . 16.916 . 50.367 . 0.334 0.315 0.300 9 . 26374 RET C10 C10 C10 C10 . C . . N 0 . . . 1 N N . . . . -7.569 . 17.648 . 50.602 . 1.446 -0.283 -0.220 10 . 26374 RET C11 C11 C11 C11 . C . . N 0 . . . 1 N N . . . . -8.141 . 18.699 . 49.798 . 2.720 0.176 0.138 11 . 26374 RET C12 C12 C12 C12 . C . . N 0 . . . 1 N N . . . . -9.328 . 19.245 . 50.048 . 3.842 -0.427 -0.387 12 . 26374 RET C13 C13 C13 C13 . C . . N 0 . . . 1 N N . . . . -10.012 . 20.306 . 49.302 . 5.115 0.031 -0.030 13 . 26374 RET C14 C14 C14 C14 . C . . N 0 . . . 1 N N . . . . -11.232 . 20.649 . 49.763 . 6.238 -0.573 -0.555 14 . 26374 RET C15 C15 C15 C15 . C . . N 0 . . . 1 N N . . . . -12.134 . 21.659 . 49.229 . 7.510 -0.115 -0.198 15 . 26374 RET O1 O1 O1 O1 . O . . N 0 . . . 1 N Y . . . . -13.374 . 21.346 . 48.614 . 8.500 -0.648 -0.661 16 . 26374 RET C16 C16 C16 C16 . C . . N 0 . . . 1 N N . . . . -6.839 . 12.703 . 52.333 . -3.620 1.768 -1.531 17 . 26374 RET C17 C17 C17 C17 . C . . N 0 . . . 1 N N . . . . -6.072 . 13.878 . 54.344 . -4.899 1.816 0.611 18 . 26374 RET C18 C18 C18 C18 . C . . N 0 . . . 1 N N . . . . -2.187 . 14.357 . 51.431 . -2.522 -2.155 1.006 19 . 26374 RET C19 C19 C19 C19 . C . . N 0 . . . 1 N N . . . . -5.585 . 17.081 . 49.160 . 0.478 1.469 1.259 20 . 26374 RET C20 C20 C20 C20 . C . . N 0 . . . 1 N N . . . . -9.562 . 20.581 . 47.903 . 5.259 1.185 0.929 21 . 26374 RET H21 H21 H21 H21 . H . . N 0 . . . 1 N N . . . . -5.570 . 11.320 . 54.194 . -6.266 0.819 -1.419 22 . 26374 RET H22 H22 H22 H22 . H . . N 0 . . . 1 N N . . . . -4.872 . 11.212 . 52.516 . -5.093 -0.377 -2.032 23 . 26374 RET H31 H31 H31 H31 . H . . N 0 . . . 1 N N . . . . -3.692 . 12.317 . 54.981 . -6.225 -0.411 0.804 24 . 26374 RET H32 H32 H32 H32 . H . . N 0 . . . 1 N N . . . . -3.238 . 10.832 . 54.041 . -6.898 -1.368 -0.542 25 . 26374 RET H41 H41 H41 H41 . H . . N 0 . . . 1 N N . . . . -1.977 . 13.168 . 53.896 . -5.209 -2.606 0.910 26 . 26374 RET H42 H42 H42 H42 . H . . N 0 . . . 1 N N . . . . -2.094 . 11.964 . 52.542 . -4.824 -2.572 -0.825 27 . 26374 RET H7 H7 H7 H7 . H . . N 0 . . . 1 N N . . . . -4.407 . 15.228 . 50.461 . -1.949 1.298 1.119 28 . 26374 RET H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . -6.762 . 15.791 . 52.206 . -1.047 -0.972 -0.747 29 . 26374 RET H10 H10 H10 H10 . H . . N 0 . . . 1 N N . . . . -8.099 . 17.415 . 51.514 . 1.343 -1.109 -0.908 30 . 26374 RET H11 H11 H11 H11 . H . . N 0 . . . 1 N N . . . . -7.578 . 19.061 . 48.951 . 2.823 1.003 0.825 31 . 26374 RET H12 H12 H12 H12 . H . . N 0 . . . 1 N N . . . . -9.854 . 18.858 . 50.908 . 3.740 -1.254 -1.074 32 . 26374 RET H14 H14 H14 H14 . H . . N 0 . . . 1 N N . . . . -11.581 . 20.110 . 50.632 . 6.135 -1.400 -1.242 33 . 26374 RET H15 H15 H15 H15 . H . . N 0 . . . 1 N N . . . . -11.846 . 22.697 . 49.305 . 7.613 0.712 0.489 34 . 26374 RET H161 H161 H161 H161 . H . . N 0 . . . 0 N N . . . . -7.415 . 13.583 . 52.011 . -4.351 2.401 -2.035 35 . 26374 RET H162 H162 H162 H162 . H . . N 0 . . . 0 N N . . . . -6.545 . 12.115 . 51.451 . -2.872 2.394 -1.045 36 . 26374 RET H163 H163 H163 H163 . H . . N 0 . . . 0 N N . . . . -7.458 . 12.083 . 52.998 . -3.134 1.122 -2.262 37 . 26374 RET H171 H171 H171 H171 . H . . N 0 . . . 0 N N . . . . -6.537 . 14.835 . 54.066 . -5.409 1.209 1.359 38 . 26374 RET H172 H172 H172 H172 . H . . N 0 . . . 0 N N . . . . -6.809 . 13.250 . 54.865 . -4.089 2.371 1.084 39 . 26374 RET H173 H173 H173 H173 . H . . N 0 . . . 0 N N . . . . -5.215 . 14.066 . 55.008 . -5.608 2.516 0.167 40 . 26374 RET H181 H181 H181 H181 . H . . N 0 . . . 0 N N . . . . -2.644 . 15.125 . 50.790 . -2.917 -3.145 1.234 41 . 26374 RET H182 H182 H182 H182 . H . . N 0 . . . 0 N N . . . . -1.424 . 14.822 . 52.073 . -1.686 -2.248 0.312 42 . 26374 RET H183 H183 H183 H183 . H . . N 0 . . . 0 N N . . . . -1.717 . 13.586 . 50.802 . -2.179 -1.681 1.926 43 . 26374 RET H191 H191 H191 H191 . H . . N 0 . . . 0 N N . . . . -5.988 . 17.881 . 48.521 . 0.528 1.089 2.279 44 . 26374 RET H192 H192 H192 H192 . H . . N 0 . . . 0 N N . . . . -4.566 . 17.345 . 49.479 . 1.391 2.019 1.031 45 . 26374 RET H193 H193 H193 H193 . H . . N 0 . . . 0 N N . . . . -5.560 . 16.138 . 48.594 . -0.381 2.133 1.160 46 . 26374 RET H201 H201 H201 H201 . H . . N 0 . . . 0 N N . . . . -10.165 . 21.397 . 47.477 . 5.309 0.805 1.950 47 . 26374 RET H202 H202 H202 H202 . H . . N 0 . . . 0 N N . . . . -8.502 . 20.874 . 47.910 . 6.172 1.735 0.701 48 . 26374 RET H203 H203 H203 H203 . H . . N 0 . . . 0 N N . . . . -9.688 . 19.675 . 47.293 . 4.400 1.849 0.830 49 . 26374 RET 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 C1 C2 N N 1 . 26374 RET 2 . SING C1 C6 N N 2 . 26374 RET 3 . SING C1 C16 N N 3 . 26374 RET 4 . SING C1 C17 N N 4 . 26374 RET 5 . SING C2 C3 N N 5 . 26374 RET 6 . SING C2 H21 N N 6 . 26374 RET 7 . SING C2 H22 N N 7 . 26374 RET 8 . SING C3 C4 N N 8 . 26374 RET 9 . SING C3 H31 N N 9 . 26374 RET 10 . SING C3 H32 N N 10 . 26374 RET 11 . SING C4 C5 N N 11 . 26374 RET 12 . SING C4 H41 N N 12 . 26374 RET 13 . SING C4 H42 N N 13 . 26374 RET 14 . DOUB C5 C6 N N 14 . 26374 RET 15 . SING C5 C18 N N 15 . 26374 RET 16 . SING C6 C7 N N 16 . 26374 RET 17 . DOUB C7 C8 N E 17 . 26374 RET 18 . SING C7 H7 N N 18 . 26374 RET 19 . SING C8 C9 N N 19 . 26374 RET 20 . SING C8 H8 N N 20 . 26374 RET 21 . DOUB C9 C10 N E 21 . 26374 RET 22 . SING C9 C19 N N 22 . 26374 RET 23 . SING C10 C11 N N 23 . 26374 RET 24 . SING C10 H10 N N 24 . 26374 RET 25 . DOUB C11 C12 N E 25 . 26374 RET 26 . SING C11 H11 N N 26 . 26374 RET 27 . SING C12 C13 N N 27 . 26374 RET 28 . SING C12 H12 N N 28 . 26374 RET 29 . DOUB C13 C14 N E 29 . 26374 RET 30 . SING C13 C20 N N 30 . 26374 RET 31 . SING C14 C15 N N 31 . 26374 RET 32 . SING C14 H14 N N 32 . 26374 RET 33 . DOUB C15 O1 N N 33 . 26374 RET 34 . SING C15 H15 N N 34 . 26374 RET 35 . SING C16 H161 N N 35 . 26374 RET 36 . SING C16 H162 N N 36 . 26374 RET 37 . SING C16 H163 N N 37 . 26374 RET 38 . SING C17 H171 N N 38 . 26374 RET 39 . SING C17 H172 N N 39 . 26374 RET 40 . SING C17 H173 N N 40 . 26374 RET 41 . SING C18 H181 N N 41 . 26374 RET 42 . SING C18 H182 N N 42 . 26374 RET 43 . SING C18 H183 N N 43 . 26374 RET 44 . SING C19 H191 N N 44 . 26374 RET 45 . SING C19 H192 N N 45 . 26374 RET 46 . SING C19 H193 N N 46 . 26374 RET 47 . SING C20 H201 N N 47 . 26374 RET 48 . SING C20 H202 N N 48 . 26374 RET 49 . SING C20 H203 N N 49 . 26374 RET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26374 _Sample.ID 1 _Sample.Name SzR1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system ethanol/water _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 SzR1 '[U-100% 13C; U-100% 15N]' 1 $assembly_1 1 $entity_1 . protein 10 . . mg . . . . 26374 1 2 ethanol 'natural abundance' . . . . . solvent 50 . . % . . . . 26374 1 3 H2O 'natural abundance' . . . . . solvent 50 . . % . . . . 26374 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 26374 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'fully hydrated proteoliposome' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 26374 1 pH 7 . pH 26374 1 pressure 1 . atm 26374 1 temperature 278 . K 26374 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26374 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26374 1 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 26374 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'RIKEN NMR Facility' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 26374 _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 DARR no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26374 1 2 NCACX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26374 1 3 CONCA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26374 1 4 NCOCX no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26374 1 5 '2D 13C-detected NCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26374 1 6 '1D 13C' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26374 1 7 '1D 15N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26374 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 26374 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Standard _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26374 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26374 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 26374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'SzR1 13C and 15N signal assignments by solid-state NMR' _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 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 DARR 1 $sample_1 isotropic 26374 1 2 NCACX 1 $sample_1 isotropic 26374 1 3 CONCA 1 $sample_1 isotropic 26374 1 4 NCOCX 1 $sample_1 isotropic 26374 1 5 '2D 13C-detected NCA' 1 $sample_1 isotropic 26374 1 6 '1D 13C' 1 $sample_1 isotropic 26374 1 7 '1D 15N' 1 $sample_1 isotropic 26374 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 1 $software_1 . . 26374 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 GLU C C 13 176.49 0.2 . 1 . . . . . 2 GLU C . 26374 1 2 . 1 . 1 2 2 GLU CA C 13 60.16 0.2 . 1 . . . . . 2 GLU CA . 26374 1 3 . 1 . 1 2 2 GLU CB C 13 26.99 0.2 . 1 . . . . . 2 GLU CB . 26374 1 4 . 1 . 1 3 3 GLU C C 13 178.79 0.2 . 1 . . . . . 3 GLU C . 26374 1 5 . 1 . 1 3 3 GLU CA C 13 59.55 0.2 . 1 . . . . . 3 GLU CA . 26374 1 6 . 1 . 1 3 3 GLU CB C 13 27.31 0.2 . 1 . . . . . 3 GLU CB . 26374 1 7 . 1 . 1 3 3 GLU CD C 13 184.41 0.2 . 1 . . . . . 3 GLU CD . 26374 1 8 . 1 . 1 3 3 GLU CG C 13 34.18 0.2 . 1 . . . . . 3 GLU CG . 26374 1 9 . 1 . 1 3 3 GLU N N 15 121.96 0.2 . 1 . . . . . 3 GLU N . 26374 1 10 . 1 . 1 4 4 ILE C C 13 176.46 0.2 . 1 . . . . . 4 ILE C . 26374 1 11 . 1 . 1 4 4 ILE CA C 13 64.16 0.2 . 1 . . . . . 4 ILE CA . 26374 1 12 . 1 . 1 4 4 ILE CB C 13 38.96 0.2 . 1 . . . . . 4 ILE CB . 26374 1 13 . 1 . 1 4 4 ILE N N 15 114.6 0.2 . 1 . . . . . 4 ILE N . 26374 1 14 . 1 . 1 5 5 ILE C C 13 179.66 0.2 . 1 . . . . . 5 ILE C . 26374 1 15 . 1 . 1 5 5 ILE CA C 13 59.6 0.2 . 1 . . . . . 5 ILE CA . 26374 1 16 . 1 . 1 5 5 ILE N N 15 121.38 0.2 . 1 . . . . . 5 ILE N . 26374 1 17 . 1 . 1 6 6 PHE C C 13 178.89 0.2 . 1 . . . . . 6 PHE C . 26374 1 18 . 1 . 1 6 6 PHE CA C 13 62.34 0.2 . 1 . . . . . 6 PHE CA . 26374 1 19 . 1 . 1 7 7 TYR C C 13 178.94 0.2 . 1 . . . . . 7 TYR C . 26374 1 20 . 1 . 1 7 7 TYR CA C 13 59.01 0.2 . 1 . . . . . 7 TYR CA . 26374 1 21 . 1 . 1 7 7 TYR N N 15 119.77 0.2 . 1 . . . . . 7 TYR N . 26374 1 22 . 1 . 1 8 8 ILE C C 13 178.82 0.2 . 1 . . . . . 8 ILE C . 26374 1 23 . 1 . 1 8 8 ILE CA C 13 67.43 0.2 . 1 . . . . . 8 ILE CA . 26374 1 24 . 1 . 1 8 8 ILE CB C 13 38.6 0.2 . 1 . . . . . 8 ILE CB . 26374 1 25 . 1 . 1 8 8 ILE CG1 C 13 26.18 0.2 . 1 . . . . . 8 ILE CG1 . 26374 1 26 . 1 . 1 8 8 ILE CG2 C 13 18.28 0.2 . 1 . . . . . 8 ILE CG2 . 26374 1 27 . 1 . 1 8 8 ILE N N 15 101.71 0.2 . 1 . . . . . 8 ILE N . 26374 1 28 . 1 . 1 9 9 GLY C C 13 175.34 0.2 . 1 . . . . . 9 GLY C . 26374 1 29 . 1 . 1 9 9 GLY CA C 13 47.98 0.2 . 1 . . . . . 9 GLY CA . 26374 1 30 . 1 . 1 9 9 GLY N N 15 107.06 0.2 . 1 . . . . . 9 GLY N . 26374 1 31 . 1 . 1 10 10 ALA C C 13 180.37 0.2 . 1 . . . . . 10 ALA C . 26374 1 32 . 1 . 1 10 10 ALA CA C 13 56.44 0.2 . 1 . . . . . 10 ALA CA . 26374 1 33 . 1 . 1 10 10 ALA CB C 13 18.58 0.2 . 1 . . . . . 10 ALA CB . 26374 1 34 . 1 . 1 10 10 ALA N N 15 122.82 0.2 . 1 . . . . . 10 ALA N . 26374 1 35 . 1 . 1 11 11 GLY C C 13 175.74 0.2 . 1 . . . . . 11 GLY C . 26374 1 36 . 1 . 1 11 11 GLY CA C 13 48.46 0.2 . 1 . . . . . 11 GLY CA . 26374 1 37 . 1 . 1 11 11 GLY N N 15 106.3 0.2 . 1 . . . . . 11 GLY N . 26374 1 38 . 1 . 1 12 12 VAL C C 13 177.82 0.2 . 1 . . . . . 12 VAL C . 26374 1 39 . 1 . 1 12 12 VAL CA C 13 68.01 0.2 . 1 . . . . . 12 VAL CA . 26374 1 40 . 1 . 1 12 12 VAL CB C 13 27.02 0.2 . 1 . . . . . 12 VAL CB . 26374 1 41 . 1 . 1 12 12 VAL CG1 C 13 18.35 0.2 . 2 . . . . . 12 VAL CG1 . 26374 1 42 . 1 . 1 12 12 VAL CG2 C 13 18.35 0.2 . 2 . . . . . 12 VAL CG2 . 26374 1 43 . 1 . 1 12 12 VAL N N 15 122.84 0.2 . 1 . . . . . 12 VAL N . 26374 1 44 . 1 . 1 13 13 PHE C C 13 177.99 0.2 . 1 . . . . . 13 PHE C . 26374 1 45 . 1 . 1 13 13 PHE CA C 13 62.81 0.2 . 1 . . . . . 13 PHE CA . 26374 1 46 . 1 . 1 13 13 PHE CB C 13 38.86 0.2 . 1 . . . . . 13 PHE CB . 26374 1 47 . 1 . 1 13 13 PHE N N 15 119.42 0.2 . 1 . . . . . 13 PHE N . 26374 1 48 . 1 . 1 14 14 THR C C 13 177.32 0.2 . 1 . . . . . 14 THR C . 26374 1 49 . 1 . 1 14 14 THR CA C 13 65.97 0.2 . 1 . . . . . 14 THR CA . 26374 1 50 . 1 . 1 14 14 THR CB C 13 67.93 0.2 . 1 . . . . . 14 THR CB . 26374 1 51 . 1 . 1 14 14 THR CG2 C 13 20.83 0.2 . 1 . . . . . 14 THR CG . 26374 1 52 . 1 . 1 14 14 THR N N 15 113.01 0.2 . 1 . . . . . 14 THR N . 26374 1 53 . 1 . 1 15 15 LEU C C 13 176.73 0.2 . 1 . . . . . 15 LEU C . 26374 1 54 . 1 . 1 15 15 LEU CA C 13 55.38 0.2 . 1 . . . . . 15 LEU CA . 26374 1 55 . 1 . 1 15 15 LEU N N 15 112.43 0.2 . 1 . . . . . 15 LEU N . 26374 1 56 . 1 . 1 16 16 THR C C 13 178.19 0.2 . 1 . . . . . 16 THR C . 26374 1 57 . 1 . 1 16 16 THR CA C 13 66.73 0.2 . 1 . . . . . 16 THR CA . 26374 1 58 . 1 . 1 16 16 THR CB C 13 68.89 0.2 . 1 . . . . . 16 THR CB . 26374 1 59 . 1 . 1 16 16 THR CG2 C 13 23.91 0.2 . 1 . . . . . 16 THR CG . 26374 1 60 . 1 . 1 16 16 THR N N 15 121.27 0.2 . 1 . . . . . 16 THR N . 26374 1 61 . 1 . 1 17 17 SER C C 13 174.19 0.2 . 1 . . . . . 17 SER C . 26374 1 62 . 1 . 1 17 17 SER CA C 13 61.30 0.2 . 1 . . . . . 17 SER CA . 26374 1 63 . 1 . 1 17 17 SER CB C 13 63.52 0.2 . 1 . . . . . 17 SER CB . 26374 1 64 . 1 . 1 17 17 SER N N 15 112.57 0.2 . 1 . . . . . 17 SER N . 26374 1 65 . 1 . 1 18 18 ILE C C 13 178.70 0.2 . 1 . . . . . 18 ILE C . 26374 1 66 . 1 . 1 18 18 ILE CA C 13 66.75 0.2 . 1 . . . . . 18 ILE CA . 26374 1 67 . 1 . 1 18 18 ILE CB C 13 42.57 0.2 . 1 . . . . . 18 ILE CB . 26374 1 68 . 1 . 1 18 18 ILE CG1 C 13 31.42 0.2 . 1 . . . . . 18 ILE CG1 . 26374 1 69 . 1 . 1 18 18 ILE CG2 C 13 15.30 0.2 . 1 . . . . . 18 ILE CG2 . 26374 1 70 . 1 . 1 18 18 ILE N N 15 116.42 0.2 . 1 . . . . . 18 ILE N . 26374 1 71 . 1 . 1 19 19 THR C C 13 178.36 0.2 . 1 . . . . . 19 THR C . 26374 1 72 . 1 . 1 19 19 THR CA C 13 68.94 0.2 . 1 . . . . . 19 THR CA . 26374 1 73 . 1 . 1 19 19 THR CB C 13 72.39 0.2 . 1 . . . . . 19 THR CB . 26374 1 74 . 1 . 1 19 19 THR CG2 C 13 25.30 0.2 . 1 . . . . . 19 THR CG . 26374 1 75 . 1 . 1 19 19 THR N N 15 115.91 0.2 . 1 . . . . . 19 THR N . 26374 1 76 . 1 . 1 20 20 PHE C C 13 180.86 0.2 . 1 . . . . . 20 PHE C . 26374 1 77 . 1 . 1 20 20 PHE CA C 13 59.23 0.2 . 1 . . . . . 20 PHE CA . 26374 1 78 . 1 . 1 20 20 PHE CB C 13 41.93 0.2 . 1 . . . . . 20 PHE CB . 26374 1 79 . 1 . 1 20 20 PHE CG C 13 137.07 0.2 . 1 . . . . . 20 PHE CG . 26374 1 80 . 1 . 1 20 20 PHE N N 15 115.94 0.2 . 1 . . . . . 20 PHE N . 26374 1 81 . 1 . 1 21 21 PHE C C 13 179.81 0.2 . 1 . . . . . 21 PHE C . 26374 1 82 . 1 . 1 21 21 PHE CA C 13 59.1 0.2 . 1 . . . . . 21 PHE CA . 26374 1 83 . 1 . 1 21 21 PHE CB C 13 40.8 0.2 . 1 . . . . . 21 PHE CB . 26374 1 84 . 1 . 1 21 21 PHE CD1 C 13 133.47 0.2 . 1 . . . . . 21 PHE CD . 26374 1 85 . 1 . 1 21 21 PHE CD2 C 13 133.47 0.2 . 1 . . . . . 21 PHE CD . 26374 1 86 . 1 . 1 21 21 PHE N N 15 126.15 0.2 . 1 . . . . . 21 PHE N . 26374 1 87 . 1 . 1 22 22 LEU C C 13 176.41 0.2 . 1 . . . . . 22 LEU C . 26374 1 88 . 1 . 1 22 22 LEU CA C 13 59.11 0.2 . 1 . . . . . 22 LEU CA . 26374 1 89 . 1 . 1 22 22 LEU CB C 13 43.31 0.2 . 1 . . . . . 22 LEU CB . 26374 1 90 . 1 . 1 22 22 LEU CD1 C 13 23.44 0.2 . 1 . . . . . 22 LEU CD . 26374 1 91 . 1 . 1 22 22 LEU CD2 C 13 23.44 0.2 . 1 . . . . . 22 LEU CD . 26374 1 92 . 1 . 1 22 22 LEU CG C 13 25.82 0.2 . 1 . . . . . 22 LEU CG . 26374 1 93 . 1 . 1 22 22 LEU N N 15 122.06 0.2 . 1 . . . . . 22 LEU N . 26374 1 94 . 1 . 1 23 23 LEU C C 13 176.36 0.2 . 1 . . . . . 23 LEU C . 26374 1 95 . 1 . 1 23 23 LEU CA C 13 59.82 0.2 . 1 . . . . . 23 LEU CA . 26374 1 96 . 1 . 1 23 23 LEU CB C 13 47.23 0.2 . 1 . . . . . 23 LEU CB . 26374 1 97 . 1 . 1 23 23 LEU CD1 C 13 24.78 0.2 . 1 . . . . . 23 LEU CD . 26374 1 98 . 1 . 1 23 23 LEU CD2 C 13 24.78 0.2 . 1 . . . . . 23 LEU CD . 26374 1 99 . 1 . 1 23 23 LEU CG C 13 28.81 0.2 . 1 . . . . . 23 LEU CG . 26374 1 100 . 1 . 1 23 23 LEU N N 15 132.67 0.2 . 1 . . . . . 23 LEU N . 26374 1 101 . 1 . 1 24 24 LYS C C 13 175.84 0.2 . 1 . . . . . 24 LYS C . 26374 1 102 . 1 . 1 24 24 LYS CA C 13 57.25 0.2 . 1 . . . . . 24 LYS CA . 26374 1 103 . 1 . 1 24 24 LYS CB C 13 32.96 0.2 . 1 . . . . . 24 LYS CB . 26374 1 104 . 1 . 1 24 24 LYS CD C 13 32.43 0.2 . 1 . . . . . 24 LYS CD . 26374 1 105 . 1 . 1 24 24 LYS CE C 13 39.33 0.2 . 1 . . . . . 24 LYS CE . 26374 1 106 . 1 . 1 24 24 LYS CG C 13 23.68 0.2 . 1 . . . . . 24 LYS CG . 26374 1 107 . 1 . 1 24 24 LYS N N 15 113.04 0.2 . 1 . . . . . 24 LYS N . 26374 1 108 . 1 . 1 25 25 LYS C C 13 178.5 0.2 . 1 . . . . . 25 LYS C . 26374 1 109 . 1 . 1 25 25 LYS CA C 13 58.15 0.2 . 1 . . . . . 25 LYS CA . 26374 1 110 . 1 . 1 25 25 LYS CB C 13 30.90 0.2 . 1 . . . . . 25 LYS CB . 26374 1 111 . 1 . 1 25 25 LYS CD C 13 28.37 0.2 . 1 . . . . . 25 LYS CD . 26374 1 112 . 1 . 1 25 25 LYS CE C 13 38.41 0.2 . 1 . . . . . 25 LYS CE . 26374 1 113 . 1 . 1 25 25 LYS CG C 13 24.11 0.2 . 1 . . . . . 25 LYS CG . 26374 1 114 . 1 . 1 25 25 LYS N N 15 128.3 0.2 . 1 . . . . . 25 LYS N . 26374 1 115 . 1 . 1 26 26 LYS C C 13 176.00 0.2 . 1 . . . . . 26 LYS C . 26374 1 116 . 1 . 1 26 26 LYS CA C 13 55.39 0.2 . 1 . . . . . 26 LYS CA . 26374 1 117 . 1 . 1 26 26 LYS CB C 13 34.78 0.2 . 1 . . . . . 26 LYS CB . 26374 1 118 . 1 . 1 26 26 LYS CD C 13 33.86 0.2 . 1 . . . . . 26 LYS CD . 26374 1 119 . 1 . 1 26 26 LYS CE C 13 41.19 0.2 . 1 . . . . . 26 LYS CE . 26374 1 120 . 1 . 1 26 26 LYS CG C 13 25.30 0.2 . 1 . . . . . 26 LYS CG . 26374 1 121 . 1 . 1 26 26 LYS N N 15 120.00 0.2 . 1 . . . . . 26 LYS N . 26374 1 122 . 1 . 1 27 27 ASN C C 13 175.63 0.2 . 1 . . . . . 27 ASN C . 26374 1 123 . 1 . 1 27 27 ASN CA C 13 54.00 0.2 . 1 . . . . . 27 ASN CA . 26374 1 124 . 1 . 1 27 27 ASN CB C 13 39.78 0.2 . 1 . . . . . 27 ASN CB . 26374 1 125 . 1 . 1 27 27 ASN CG C 13 181.75 0.2 . 1 . . . . . 27 ASN CG . 26374 1 126 . 1 . 1 27 27 ASN N N 15 118.61 0.2 . 1 . . . . . 27 ASN N . 26374 1 127 . 1 . 1 28 28 LEU C C 13 176.54 0.2 . 1 . . . . . 28 LEU C . 26374 1 128 . 1 . 1 28 28 LEU CA C 13 55.74 0.2 . 1 . . . . . 28 LEU CA . 26374 1 129 . 1 . 1 28 28 LEU CB C 13 43.21 0.2 . 1 . . . . . 28 LEU CB . 26374 1 130 . 1 . 1 28 28 LEU CD1 C 13 24.50 0.2 . 1 . . . . . 28 LEU CD . 26374 1 131 . 1 . 1 28 28 LEU CD2 C 13 24.50 0.2 . 1 . . . . . 28 LEU CD . 26374 1 132 . 1 . 1 28 28 LEU CG C 13 27.61 0.2 . 1 . . . . . 28 LEU CG . 26374 1 133 . 1 . 1 28 28 LEU N N 15 127.87 0.2 . 1 . . . . . 28 LEU N . 26374 1 134 . 1 . 1 29 29 GLU C C 13 176.89 0.2 . 1 . . . . . 29 GLU C . 26374 1 135 . 1 . 1 29 29 GLU CA C 13 60.55 0.2 . 1 . . . . . 29 GLU CA . 26374 1 136 . 1 . 1 29 29 GLU CB C 13 29.46 0.2 . 1 . . . . . 29 GLU CB . 26374 1 137 . 1 . 1 29 29 GLU CD C 13 180.55 0.2 . 1 . . . . . 29 GLU CD . 26374 1 138 . 1 . 1 29 29 GLU CG C 13 34.18 0.2 . 1 . . . . . 29 GLU CG . 26374 1 139 . 1 . 1 29 29 GLU N N 15 113.00 0.2 . 1 . . . . . 29 GLU N . 26374 1 140 . 1 . 1 30 30 VAL C C 13 181.42 0.2 . 1 . . . . . 30 VAL C . 26374 1 141 . 1 . 1 30 30 VAL CA C 13 66.61 0.2 . 1 . . . . . 30 VAL CA . 26374 1 142 . 1 . 1 30 30 VAL CB C 13 30.20 0.2 . 1 . . . . . 30 VAL CB . 26374 1 143 . 1 . 1 30 30 VAL CG1 C 13 18.55 0.2 . 2 . . . . . 30 VAL CG1 . 26374 1 144 . 1 . 1 30 30 VAL CG2 C 13 18.55 0.2 . 2 . . . . . 30 VAL CG2 . 26374 1 145 . 1 . 1 30 30 VAL N N 15 121.31 0.2 . 1 . . . . . 30 VAL N . 26374 1 146 . 1 . 1 31 31 ALA C C 13 177.56 0.2 . 1 . . . . . 31 ALA C . 26374 1 147 . 1 . 1 31 31 ALA CA C 13 56.34 0.2 . 1 . . . . . 31 ALA CA . 26374 1 148 . 1 . 1 31 31 ALA CB C 13 20.30 0.2 . 1 . . . . . 31 ALA CB . 26374 1 149 . 1 . 1 31 31 ALA N N 15 115.18 0.2 . 1 . . . . . 31 ALA N . 26374 1 150 . 1 . 1 32 32 SER C C 13 172.33 0.2 . 1 . . . . . 32 SER C . 26374 1 151 . 1 . 1 32 32 SER CA C 13 60.50 0.2 . 1 . . . . . 32 SER CA . 26374 1 152 . 1 . 1 32 32 SER CB C 13 65.78 0.2 . 1 . . . . . 32 SER CB . 26374 1 153 . 1 . 1 32 32 SER N N 15 119.38 0.2 . 1 . . . . . 32 SER N . 26374 1 154 . 1 . 1 33 33 LEU C C 13 180.56 0.2 . 1 . . . . . 33 LEU C . 26374 1 155 . 1 . 1 33 33 LEU CA C 13 59.58 0.2 . 1 . . . . . 33 LEU CA . 26374 1 156 . 1 . 1 33 33 LEU CB C 13 45.53 0.2 . 1 . . . . . 33 LEU CB . 26374 1 157 . 1 . 1 33 33 LEU CG C 13 27.85 0.2 . 1 . . . . . 33 LEU CG . 26374 1 158 . 1 . 1 34 34 ASN C C 13 173.36 0.2 . 1 . . . . . 34 ASN C . 26374 1 159 . 1 . 1 34 34 ASN CA C 13 55.85 0.2 . 1 . . . . . 34 ASN CA . 26374 1 160 . 1 . 1 34 34 ASN CB C 13 36.73 0.2 . 1 . . . . . 34 ASN CB . 26374 1 161 . 1 . 1 34 34 ASN CG C 13 179.42 0.2 . 1 . . . . . 34 ASN CG . 26374 1 162 . 1 . 1 34 34 ASN N N 15 122.68 0.2 . 1 . . . . . 34 ASN N . 26374 1 163 . 1 . 1 34 34 ASN ND2 N 15 112.82 0.2 . 1 . . . . . 34 ASN NH . 26374 1 164 . 1 . 1 35 35 MET C C 13 176.00 0.2 . 1 . . . . . 35 MET C . 26374 1 165 . 1 . 1 35 35 MET CA C 13 54.09 0.2 . 1 . . . . . 35 MET CA . 26374 1 166 . 1 . 1 35 35 MET N N 15 117.95 0.2 . 1 . . . . . 35 MET N . 26374 1 167 . 1 . 1 36 36 ILE C C 13 180.50 0.2 . 1 . . . . . 36 ILE C . 26374 1 168 . 1 . 1 36 36 ILE CA C 13 70.37 0.2 . 1 . . . . . 36 ILE CA . 26374 1 169 . 1 . 1 36 36 ILE N N 15 125.11 0.2 . 1 . . . . . 36 ILE N . 26374 1 170 . 1 . 1 37 37 VAL C C 13 178.94 0.2 . 1 . . . . . 37 VAL C . 26374 1 171 . 1 . 1 37 37 VAL CA C 13 67.06 0.2 . 1 . . . . . 37 VAL CA . 26374 1 172 . 1 . 1 37 37 VAL CB C 13 33.03 0.2 . 1 . . . . . 37 VAL CB . 26374 1 173 . 1 . 1 37 37 VAL CG1 C 13 23.39 0.2 . 2 . . . . . 37 VAL CG1 . 26374 1 174 . 1 . 1 37 37 VAL CG2 C 13 23.39 0.2 . 2 . . . . . 37 VAL CG2 . 26374 1 175 . 1 . 1 37 37 VAL N N 15 117.07 0.2 . 1 . . . . . 37 VAL N . 26374 1 176 . 1 . 1 38 38 ASN C C 13 177.60 0.2 . 1 . . . . . 38 ASN C . 26374 1 177 . 1 . 1 38 38 ASN CA C 13 53.80 0.2 . 1 . . . . . 38 ASN CA . 26374 1 178 . 1 . 1 38 38 ASN CB C 13 39.29 0.2 . 1 . . . . . 38 ASN CB . 26374 1 179 . 1 . 1 38 38 ASN CG C 13 176.44 0.2 . 1 . . . . . 38 ASN CG . 26374 1 180 . 1 . 1 38 38 ASN N N 15 115.77 0.2 . 1 . . . . . 38 ASN N . 26374 1 181 . 1 . 1 39 39 PHE C C 13 177.99 0.2 . 1 . . . . . 39 PHE C . 26374 1 182 . 1 . 1 39 39 PHE CA C 13 62.86 0.2 . 1 . . . . . 39 PHE CA . 26374 1 183 . 1 . 1 39 39 PHE CB C 13 37.84 0.2 . 1 . . . . . 39 PHE CB . 26374 1 184 . 1 . 1 39 39 PHE N N 15 118.74 0.2 . 1 . . . . . 39 PHE N . 26374 1 185 . 1 . 1 40 40 VAL C C 13 177.91 0.2 . 1 . . . . . 40 VAL C . 26374 1 186 . 1 . 1 40 40 VAL CA C 13 61.88 0.2 . 1 . . . . . 40 VAL CA . 26374 1 187 . 1 . 1 40 40 VAL CB C 13 32.28 0.2 . 1 . . . . . 40 VAL CB . 26374 1 188 . 1 . 1 40 40 VAL N N 15 125.64 0.2 . 1 . . . . . 40 VAL N . 26374 1 189 . 1 . 1 41 41 THR C C 13 177.88 0.2 . 1 . . . . . 41 THR C . 26374 1 190 . 1 . 1 41 41 THR CA C 13 57.75 0.2 . 1 . . . . . 41 THR CA . 26374 1 191 . 1 . 1 41 41 THR CB C 13 66.88 0.2 . 1 . . . . . 41 THR CB . 26374 1 192 . 1 . 1 41 41 THR CG2 C 13 25.53 0.2 . 1 . . . . . 41 THR CG . 26374 1 193 . 1 . 1 41 41 THR N N 15 117.10 0.2 . 1 . . . . . 41 THR N . 26374 1 194 . 1 . 1 42 42 ILE C C 13 178.93 0.2 . 1 . . . . . 42 ILE C . 26374 1 195 . 1 . 1 42 42 ILE CA C 13 66.97 0.2 . 1 . . . . . 42 ILE CA . 26374 1 196 . 1 . 1 42 42 ILE CB C 13 40.59 0.2 . 1 . . . . . 42 ILE CB . 26374 1 197 . 1 . 1 42 42 ILE CG1 C 13 24.44 0.2 . 1 . . . . . 42 ILE CG1 . 26374 1 198 . 1 . 1 42 42 ILE CG2 C 13 18.71 0.2 . 1 . . . . . 42 ILE CG2 . 26374 1 199 . 1 . 1 42 42 ILE N N 15 120.17 0.2 . 1 . . . . . 42 ILE N . 26374 1 200 . 1 . 1 43 43 ALA C C 13 180.45 0.2 . 1 . . . . . 43 ALA C . 26374 1 201 . 1 . 1 43 43 ALA CA C 13 57.28 0.2 . 1 . . . . . 43 ALA CA . 26374 1 202 . 1 . 1 43 43 ALA CB C 13 18.96 0.2 . 1 . . . . . 43 ALA CB . 26374 1 203 . 1 . 1 43 43 ALA N N 15 122.34 0.2 . 1 . . . . . 43 ALA N . 26374 1 204 . 1 . 1 44 44 SER C C 13 177.59 0.2 . 1 . . . . . 44 SER C . 26374 1 205 . 1 . 1 44 44 SER CA C 13 63.09 0.2 . 1 . . . . . 44 SER CA . 26374 1 206 . 1 . 1 44 44 SER CB C 13 64.67 0.2 . 1 . . . . . 44 SER CB . 26374 1 207 . 1 . 1 44 44 SER N N 15 111.08 0.2 . 1 . . . . . 44 SER N . 26374 1 208 . 1 . 1 45 45 TYR C C 13 176.10 0.2 . 1 . . . . . 45 TYR C . 26374 1 209 . 1 . 1 45 45 TYR CA C 13 65.93 0.2 . 1 . . . . . 45 TYR CA . 26374 1 210 . 1 . 1 45 45 TYR CB C 13 36.96 0.2 . 1 . . . . . 45 TYR CB . 26374 1 211 . 1 . 1 45 45 TYR CG C 13 135.60 0.2 . 1 . . . . . 45 TYR CG . 26374 1 212 . 1 . 1 45 45 TYR N N 15 123.58 0.2 . 1 . . . . . 45 TYR N . 26374 1 213 . 1 . 1 46 46 LEU C C 13 179.86 0.2 . 1 . . . . . 46 LEU C . 26374 1 214 . 1 . 1 46 46 LEU CA C 13 59.23 0.2 . 1 . . . . . 46 LEU CA . 26374 1 215 . 1 . 1 46 46 LEU CB C 13 41.92 0.2 . 1 . . . . . 46 LEU CB . 26374 1 216 . 1 . 1 46 46 LEU CD1 C 13 25.76 0.2 . 1 . . . . . 46 LEU CD . 26374 1 217 . 1 . 1 46 46 LEU CD2 C 13 25.76 0.2 . 1 . . . . . 46 LEU CD . 26374 1 218 . 1 . 1 46 46 LEU CG C 13 28.01 0.2 . 1 . . . . . 46 LEU CG . 26374 1 219 . 1 . 1 46 46 LEU N N 15 117.28 0.2 . 1 . . . . . 46 LEU N . 26374 1 220 . 1 . 1 47 47 LEU C C 13 178.65 0.2 . 1 . . . . . 47 LEU C . 26374 1 221 . 1 . 1 47 47 LEU CA C 13 55.44 0.2 . 1 . . . . . 47 LEU CA . 26374 1 222 . 1 . 1 47 47 LEU N N 15 108.40 0.2 . 1 . . . . . 47 LEU N . 26374 1 223 . 1 . 1 48 48 MET C C 13 181.42 0.2 . 1 . . . . . 48 MET C . 26374 1 224 . 1 . 1 48 48 MET CA C 13 59.06 0.2 . 1 . . . . . 48 MET CA . 26374 1 225 . 1 . 1 48 48 MET CB C 13 27.14 0.2 . 1 . . . . . 48 MET CB . 26374 1 226 . 1 . 1 48 48 MET N N 15 124.08 0.2 . 1 . . . . . 48 MET N . 26374 1 227 . 1 . 1 49 49 VAL C C 13 178.31 0.2 . 1 . . . . . 49 VAL C . 26374 1 228 . 1 . 1 49 49 VAL CA C 13 65.92 0.2 . 1 . . . . . 49 VAL CA . 26374 1 229 . 1 . 1 49 49 VAL CB C 13 32.26 0.2 . 1 . . . . . 49 VAL CB . 26374 1 230 . 1 . 1 49 49 VAL N N 15 122.24 0.2 . 1 . . . . . 49 VAL N . 26374 1 231 . 1 . 1 50 50 SER C C 13 175.86 0.2 . 1 . . . . . 50 SER C . 26374 1 232 . 1 . 1 50 50 SER CA C 13 61.38 0.2 . 1 . . . . . 50 SER CA . 26374 1 233 . 1 . 1 50 50 SER CB C 13 65.15 0.2 . 1 . . . . . 50 SER CB . 26374 1 234 . 1 . 1 50 50 SER N N 15 113.15 0.2 . 1 . . . . . 50 SER N . 26374 1 235 . 1 . 1 51 51 GLY C C 13 174.44 0.2 . 1 . . . . . 51 GLY C . 26374 1 236 . 1 . 1 51 51 GLY CA C 13 47.01 0.2 . 1 . . . . . 51 GLY CA . 26374 1 237 . 1 . 1 51 51 GLY N N 15 109.02 0.2 . 1 . . . . . 51 GLY N . 26374 1 238 . 1 . 1 52 52 LEU C C 13 174.50 0.2 . 1 . . . . . 52 LEU C . 26374 1 239 . 1 . 1 52 52 LEU CA C 13 57.28 0.2 . 1 . . . . . 52 LEU CA . 26374 1 240 . 1 . 1 52 52 LEU CB C 13 42.78 0.2 . 1 . . . . . 52 LEU CB . 26374 1 241 . 1 . 1 52 52 LEU N N 15 120.70 0.2 . 1 . . . . . 52 LEU N . 26374 1 242 . 1 . 1 53 53 PHE C C 13 177.6 0.2 . 1 . . . . . 53 PHE C . 26374 1 243 . 1 . 1 53 53 PHE CA C 13 58.18 0.2 . 1 . . . . . 53 PHE CA . 26374 1 244 . 1 . 1 53 53 PHE CB C 13 40.62 0.2 . 1 . . . . . 53 PHE CB . 26374 1 245 . 1 . 1 53 53 PHE CD1 C 13 131.52 0.2 . 1 . . . . . 53 PHE CD . 26374 1 246 . 1 . 1 53 53 PHE CD2 C 13 131.52 0.2 . 1 . . . . . 53 PHE CD . 26374 1 247 . 1 . 1 53 53 PHE CE1 C 13 130.65 0.2 . 1 . . . . . 53 PHE CE . 26374 1 248 . 1 . 1 53 53 PHE CE2 C 13 130.65 0.2 . 1 . . . . . 53 PHE CE . 26374 1 249 . 1 . 1 53 53 PHE CG C 13 141.55 0.2 . 1 . . . . . 53 PHE CG . 26374 1 250 . 1 . 1 53 53 PHE CZ C 13 129.31 0.2 . 1 . . . . . 53 PHE CZ . 26374 1 251 . 1 . 1 53 53 PHE N N 15 120.02 0.2 . 1 . . . . . 53 PHE N . 26374 1 252 . 1 . 1 54 54 VAL C C 13 176.96 0.2 . 1 . . . . . 54 VAL C . 26374 1 253 . 1 . 1 54 54 VAL CA C 13 61.08 0.2 . 1 . . . . . 54 VAL CA . 26374 1 254 . 1 . 1 54 54 VAL CB C 13 35.90 0.2 . 1 . . . . . 54 VAL CB . 26374 1 255 . 1 . 1 54 54 VAL N N 15 120.73 0.2 . 1 . . . . . 54 VAL N . 26374 1 256 . 1 . 1 55 55 ALA C C 13 176.74 0.2 . 1 . . . . . 55 ALA C . 26374 1 257 . 1 . 1 55 55 ALA CA C 13 50.74 0.2 . 1 . . . . . 55 ALA CA . 26374 1 258 . 1 . 1 55 55 ALA CB C 13 22.79 0.2 . 1 . . . . . 55 ALA CB . 26374 1 259 . 1 . 1 55 55 ALA N N 15 126.29 0.2 . 1 . . . . . 55 ALA N . 26374 1 260 . 1 . 1 56 56 SER C C 13 174.87 0.2 . 1 . . . . . 56 SER C . 26374 1 261 . 1 . 1 56 56 SER CA C 13 58.49 0.2 . 1 . . . . . 56 SER CA . 26374 1 262 . 1 . 1 56 56 SER CB C 13 65.62 0.2 . 1 . . . . . 56 SER CB . 26374 1 263 . 1 . 1 56 56 SER N N 15 115.74 0.2 . 1 . . . . . 56 SER N . 26374 1 264 . 1 . 1 57 57 ALA C C 13 181.18 0.2 . 1 . . . . . 57 ALA C . 26374 1 265 . 1 . 1 57 57 ALA CA C 13 51.66 0.2 . 1 . . . . . 57 ALA CA . 26374 1 266 . 1 . 1 57 57 ALA CB C 13 22.00 0.2 . 1 . . . . . 57 ALA CB . 26374 1 267 . 1 . 1 57 57 ALA N N 15 128.41 0.2 . 1 . . . . . 57 ALA N . 26374 1 268 . 1 . 1 58 58 VAL C C 13 177.66 0.2 . 1 . . . . . 58 VAL C . 26374 1 269 . 1 . 1 58 58 VAL CA C 13 66.09 0.2 . 1 . . . . . 58 VAL CA . 26374 1 270 . 1 . 1 58 58 VAL CB C 13 32.50 0.2 . 1 . . . . . 58 VAL CB . 26374 1 271 . 1 . 1 58 58 VAL CG1 C 13 21.98 0.2 . 2 . . . . . 58 VAL CG1 . 26374 1 272 . 1 . 1 58 58 VAL CG2 C 13 21.98 0.2 . 2 . . . . . 58 VAL CG2 . 26374 1 273 . 1 . 1 58 58 VAL N N 15 122.86 0.2 . 1 . . . . . 58 VAL N . 26374 1 274 . 1 . 1 59 59 SER C C 13 176.36 0.2 . 1 . . . . . 59 SER C . 26374 1 275 . 1 . 1 59 59 SER CA C 13 59.64 0.2 . 1 . . . . . 59 SER CA . 26374 1 276 . 1 . 1 59 59 SER CB C 13 64.96 0.2 . 1 . . . . . 59 SER CB . 26374 1 277 . 1 . 1 59 59 SER N N 15 112.18 0.2 . 1 . . . . . 59 SER N . 26374 1 278 . 1 . 1 60 60 GLY C C 13 174.80 0.2 . 1 . . . . . 60 GLY C . 26374 1 279 . 1 . 1 60 60 GLY CA C 13 45.52 0.2 . 1 . . . . . 60 GLY CA . 26374 1 280 . 1 . 1 60 60 GLY N N 15 111.51 0.2 . 1 . . . . . 60 GLY N . 26374 1 281 . 1 . 1 61 61 ASP C C 13 175.87 0.2 . 1 . . . . . 61 ASP C . 26374 1 282 . 1 . 1 61 61 ASP CA C 13 55.42 0.2 . 1 . . . . . 61 ASP CA . 26374 1 283 . 1 . 1 61 61 ASP CB C 13 44.89 0.2 . 1 . . . . . 61 ASP CB . 26374 1 284 . 1 . 1 61 61 ASP N N 15 120.12 0.2 . 1 . . . . . 61 ASP N . 26374 1 285 . 1 . 1 62 62 SER C C 13 172.32 0.2 . 1 . . . . . 62 SER C . 26374 1 286 . 1 . 1 62 62 SER CA C 13 60.33 0.2 . 1 . . . . . 62 SER CA . 26374 1 287 . 1 . 1 62 62 SER CB C 13 65.64 0.2 . 1 . . . . . 62 SER CB . 26374 1 288 . 1 . 1 62 62 SER N N 15 118.81 0.2 . 1 . . . . . 62 SER N . 26374 1 289 . 1 . 1 63 63 ILE C C 13 176.51 0.2 . 1 . . . . . 63 ILE C . 26374 1 290 . 1 . 1 63 63 ILE CA C 13 61.42 0.2 . 1 . . . . . 63 ILE CA . 26374 1 291 . 1 . 1 63 63 ILE CB C 13 41.95 0.2 . 1 . . . . . 63 ILE CB . 26374 1 292 . 1 . 1 63 63 ILE N N 15 121.82 0.2 . 1 . . . . . 63 ILE N . 26374 1 293 . 1 . 1 64 64 TYR C C 13 179.91 0.2 . 1 . . . . . 64 TYR C . 26374 1 294 . 1 . 1 64 64 TYR CA C 13 58.20 0.2 . 1 . . . . . 64 TYR CA . 26374 1 295 . 1 . 1 64 64 TYR CB C 13 36.67 0.2 . 1 . . . . . 64 TYR CB . 26374 1 296 . 1 . 1 64 64 TYR N N 15 132.45 0.2 . 1 . . . . . 64 TYR N . 26374 1 297 . 1 . 1 65 65 TRP C C 13 179.12 0.2 . 1 . . . . . 65 TRP C . 26374 1 298 . 1 . 1 65 65 TRP CA C 13 59.07 0.2 . 1 . . . . . 65 TRP CA . 26374 1 299 . 1 . 1 65 65 TRP CB C 13 30.37 0.2 . 1 . . . . . 65 TRP CB . 26374 1 300 . 1 . 1 65 65 TRP N N 15 119.21 0.2 . 1 . . . . . 65 TRP N . 26374 1 301 . 1 . 1 65 65 TRP NE1 N 15 129.61 0.2 . 1 . . . . . 65 TRP NE1 . 26374 1 302 . 1 . 1 66 66 THR C C 13 178.04 0.2 . 1 . . . . . 66 THR C . 26374 1 303 . 1 . 1 66 66 THR CA C 13 60.68 0.2 . 1 . . . . . 66 THR CA . 26374 1 304 . 1 . 1 66 66 THR CB C 13 62.77 0.2 . 1 . . . . . 66 THR CB . 26374 1 305 . 1 . 1 66 66 THR N N 15 117.34 0.2 . 1 . . . . . 66 THR N . 26374 1 306 . 1 . 1 67 67 ARG C C 13 178.05 0.2 . 1 . . . . . 67 ARG C . 26374 1 307 . 1 . 1 67 67 ARG CA C 13 60.73 0.2 . 1 . . . . . 67 ARG CA . 26374 1 308 . 1 . 1 67 67 ARG CB C 13 31.11 0.2 . 1 . . . . . 67 ARG CB . 26374 1 309 . 1 . 1 67 67 ARG CD C 13 41.12 0.2 . 1 . . . . . 67 ARG CD . 26374 1 310 . 1 . 1 67 67 ARG CG C 13 25.40 0.2 . 1 . . . . . 67 ARG CG . 26374 1 311 . 1 . 1 67 67 ARG CZ C 13 157.50 0.2 . 1 . . . . . 67 ARG CZ . 26374 1 312 . 1 . 1 67 67 ARG N N 15 122.89 0.2 . 1 . . . . . 67 ARG N . 26374 1 313 . 1 . 1 67 67 ARG NE N 15 84.50 0.2 . 1 . . . . . 67 ARG NE . 26374 1 314 . 1 . 1 67 67 ARG NH1 N 15 66.90 0.2 . 1 . . . . . 67 ARG NH1 . 26374 1 315 . 1 . 1 67 67 ARG NH2 N 15 76.90 0.2 . 1 . . . . . 67 ARG NH2 . 26374 1 316 . 1 . 1 68 68 TRP C C 13 178.68 0.2 . 1 . . . . . 68 TRP C . 26374 1 317 . 1 . 1 68 68 TRP CA C 13 58.73 0.2 . 1 . . . . . 68 TRP CA . 26374 1 318 . 1 . 1 68 68 TRP CB C 13 33.64 0.2 . 1 . . . . . 68 TRP CB . 26374 1 319 . 1 . 1 68 68 TRP N N 15 123.46 0.2 . 1 . . . . . 68 TRP N . 26374 1 320 . 1 . 1 69 69 ALA C C 13 178.13 0.2 . 1 . . . . . 69 ALA C . 26374 1 321 . 1 . 1 69 69 ALA CA C 13 55.40 0.2 . 1 . . . . . 69 ALA CA . 26374 1 322 . 1 . 1 69 69 ALA CB C 13 18.17 0.2 . 1 . . . . . 69 ALA CB . 26374 1 323 . 1 . 1 69 69 ALA N N 15 119.27 0.2 . 1 . . . . . 69 ALA N . 26374 1 324 . 1 . 1 70 70 PHE C C 13 180.70 0.2 . 1 . . . . . 70 PHE C . 26374 1 325 . 1 . 1 70 70 PHE CA C 13 62.81 0.2 . 1 . . . . . 70 PHE CA . 26374 1 326 . 1 . 1 70 70 PHE CB C 13 39.12 0.2 . 1 . . . . . 70 PHE CB . 26374 1 327 . 1 . 1 70 70 PHE CG C 13 131.31 0.2 . 1 . . . . . 70 PHE CG . 26374 1 328 . 1 . 1 70 70 PHE N N 15 111.80 0.2 . 1 . . . . . 70 PHE N . 26374 1 329 . 1 . 1 71 71 TYR C C 13 180.90 0.2 . 1 . . . . . 71 TYR C . 26374 1 330 . 1 . 1 71 71 TYR CA C 13 56.54 0.2 . 1 . . . . . 71 TYR CA . 26374 1 331 . 1 . 1 71 71 TYR CB C 13 37.99 0.2 . 1 . . . . . 71 TYR CB . 26374 1 332 . 1 . 1 71 71 TYR CG C 13 126.51 0.2 . 1 . . . . . 71 TYR CG . 26374 1 333 . 1 . 1 71 71 TYR N N 15 119.55 0.2 . 1 . . . . . 71 TYR N . 26374 1 334 . 1 . 1 72 72 ALA C C 13 177.39 0.2 . 1 . . . . . 72 ALA C . 26374 1 335 . 1 . 1 72 72 ALA CA C 13 57.05 0.2 . 1 . . . . . 72 ALA CA . 26374 1 336 . 1 . 1 72 72 ALA CB C 13 17.52 0.2 . 1 . . . . . 72 ALA CB . 26374 1 337 . 1 . 1 72 72 ALA N N 15 122.72 0.2 . 1 . . . . . 72 ALA N . 26374 1 338 . 1 . 1 73 73 VAL C C 13 179.20 0.2 . 1 . . . . . 73 VAL C . 26374 1 339 . 1 . 1 73 73 VAL CA C 13 65.78 0.2 . 1 . . . . . 73 VAL CA . 26374 1 340 . 1 . 1 73 73 VAL CB C 13 33.19 0.2 . 1 . . . . . 73 VAL CB . 26374 1 341 . 1 . 1 73 73 VAL CG1 C 13 22.84 0.2 . 2 . . . . . 73 VAL CG1 . 26374 1 342 . 1 . 1 73 73 VAL CG2 C 13 22.84 0.2 . 2 . . . . . 73 VAL CG2 . 26374 1 343 . 1 . 1 73 73 VAL N N 15 113.07 0.2 . 1 . . . . . 73 VAL N . 26374 1 344 . 1 . 1 74 74 SER C C 13 178.43 0.2 . 1 . . . . . 74 SER C . 26374 1 345 . 1 . 1 74 74 SER CA C 13 62.97 0.2 . 1 . . . . . 74 SER CA . 26374 1 346 . 1 . 1 74 74 SER CB C 13 66.96 0.2 . 1 . . . . . 74 SER CB . 26374 1 347 . 1 . 1 74 74 SER N N 15 117.17 0.2 . 1 . . . . . 74 SER N . 26374 1 348 . 1 . 1 75 75 CYS C C 13 178.01 0.2 . 1 . . . . . 75 CYS C . 26374 1 349 . 1 . 1 75 75 CYS CA C 13 66.13 0.2 . 1 . . . . . 75 CYS CA . 26374 1 350 . 1 . 1 75 75 CYS CB C 13 27.81 0.2 . 1 . . . . . 75 CYS CB . 26374 1 351 . 1 . 1 75 75 CYS N N 15 118.57 0.2 . 1 . . . . . 75 CYS N . 26374 1 352 . 1 . 1 76 76 SER C C 13 180.89 0.2 . 1 . . . . . 76 SER C . 26374 1 353 . 1 . 1 76 76 SER CA C 13 58.98 0.2 . 1 . . . . . 76 SER CA . 26374 1 354 . 1 . 1 76 76 SER CB C 13 66.97 0.2 . 1 . . . . . 76 SER CB . 26374 1 355 . 1 . 1 76 76 SER N N 15 119.94 0.2 . 1 . . . . . 76 SER N . 26374 1 356 . 1 . 1 77 77 PHE C C 13 175.90 0.2 . 1 . . . . . 77 PHE C . 26374 1 357 . 1 . 1 77 77 PHE CA C 13 58.20 0.2 . 1 . . . . . 77 PHE CA . 26374 1 358 . 1 . 1 77 77 PHE CB C 13 42.01 0.2 . 1 . . . . . 77 PHE CB . 26374 1 359 . 1 . 1 77 77 PHE CD1 C 13 134.32 0.2 . 1 . . . . . 77 PHE CD . 26374 1 360 . 1 . 1 77 77 PHE CD2 C 13 134.32 0.2 . 1 . . . . . 77 PHE CD . 26374 1 361 . 1 . 1 77 77 PHE CE1 C 13 133.68 0.2 . 1 . . . . . 77 PHE CE . 26374 1 362 . 1 . 1 77 77 PHE CE2 C 13 133.68 0.2 . 1 . . . . . 77 PHE CE . 26374 1 363 . 1 . 1 77 77 PHE CG C 13 138.45 0.2 . 1 . . . . . 77 PHE CG . 26374 1 364 . 1 . 1 77 77 PHE CZ C 13 129.84 0.2 . 1 . . . . . 77 PHE CZ . 26374 1 365 . 1 . 1 77 77 PHE N N 15 120.05 0.2 . 1 . . . . . 77 PHE N . 26374 1 366 . 1 . 1 78 78 LEU C C 13 178.1 0.2 . 1 . . . . . 78 LEU C . 26374 1 367 . 1 . 1 78 78 LEU CA C 13 55.27 0.2 . 1 . . . . . 78 LEU CA . 26374 1 368 . 1 . 1 78 78 LEU CB C 13 44.89 0.2 . 1 . . . . . 78 LEU CB . 26374 1 369 . 1 . 1 78 78 LEU CD1 C 13 24.16 0.2 . 1 . . . . . 78 LEU CD . 26374 1 370 . 1 . 1 78 78 LEU CD2 C 13 24.16 0.2 . 1 . . . . . 78 LEU CD . 26374 1 371 . 1 . 1 78 78 LEU CG C 13 27.13 0.2 . 1 . . . . . 78 LEU CG . 26374 1 372 . 1 . 1 78 78 LEU N N 15 120.12 0.2 . 1 . . . . . 78 LEU N . 26374 1 373 . 1 . 1 79 79 MET C C 13 179.23 0.2 . 1 . . . . . 79 MET C . 26374 1 374 . 1 . 1 79 79 MET CA C 13 57.82 0.2 . 1 . . . . . 79 MET CA . 26374 1 375 . 1 . 1 79 79 MET CB C 13 39.33 0.2 . 1 . . . . . 79 MET CB . 26374 1 376 . 1 . 1 79 79 MET CE C 13 23.68 0.2 . 1 . . . . . 79 MET CE . 26374 1 377 . 1 . 1 79 79 MET CG C 13 32.32 0.2 . 1 . . . . . 79 MET CG . 26374 1 378 . 1 . 1 79 79 MET N N 15 118.72 0.2 . 1 . . . . . 79 MET N . 26374 1 379 . 1 . 1 80 80 VAL C C 13 176.10 0.2 . 1 . . . . . 80 VAL C . 26374 1 380 . 1 . 1 80 80 VAL CA C 13 64.22 0.2 . 1 . . . . . 80 VAL CA . 26374 1 381 . 1 . 1 80 80 VAL CB C 13 39.50 0.2 . 1 . . . . . 80 VAL CB . 26374 1 382 . 1 . 1 80 80 VAL CG1 C 13 24.26 0.2 . 2 . . . . . 80 VAL CG1 . 26374 1 383 . 1 . 1 80 80 VAL CG2 C 13 24.26 0.2 . 2 . . . . . 80 VAL CG2 . 26374 1 384 . 1 . 1 80 80 VAL N N 15 121.96 0.2 . 1 . . . . . 80 VAL N . 26374 1 385 . 1 . 1 81 81 GLU C C 13 176.50 0.2 . 1 . . . . . 81 GLU C . 26374 1 386 . 1 . 1 81 81 GLU CA C 13 61.13 0.2 . 1 . . . . . 81 GLU CA . 26374 1 387 . 1 . 1 81 81 GLU CB C 13 31.78 0.2 . 1 . . . . . 81 GLU CB . 26374 1 388 . 1 . 1 81 81 GLU CD C 13 183.4 0.2 . 1 . . . . . 81 GLU CD . 26374 1 389 . 1 . 1 81 81 GLU CG C 13 38.04 0.2 . 1 . . . . . 81 GLU CG . 26374 1 390 . 1 . 1 81 81 GLU N N 15 121.99 0.2 . 1 . . . . . 81 GLU N . 26374 1 391 . 1 . 1 82 82 ILE C C 13 176.10 0.2 . 1 . . . . . 82 ILE C . 26374 1 392 . 1 . 1 82 82 ILE CA C 13 66.61 0.2 . 1 . . . . . 82 ILE CA . 26374 1 393 . 1 . 1 82 82 ILE CB C 13 38.76 0.2 . 1 . . . . . 82 ILE CB . 26374 1 394 . 1 . 1 82 82 ILE N N 15 120.67 0.2 . 1 . . . . . 82 ILE N . 26374 1 395 . 1 . 1 83 83 SER C C 13 176.36 0.2 . 1 . . . . . 83 SER C . 26374 1 396 . 1 . 1 83 83 SER CA C 13 59.91 0.2 . 1 . . . . . 83 SER CA . 26374 1 397 . 1 . 1 83 83 SER CB C 13 64.96 0.2 . 1 . . . . . 83 SER CB . 26374 1 398 . 1 . 1 83 83 SER N N 15 115.91 0.2 . 1 . . . . . 83 SER N . 26374 1 399 . 1 . 1 84 84 MET C C 13 177.39 0.2 . 1 . . . . . 84 MET C . 26374 1 400 . 1 . 1 84 84 MET CA C 13 57.70 0.2 . 1 . . . . . 84 MET CA . 26374 1 401 . 1 . 1 84 84 MET CB C 13 33.62 0.2 . 1 . . . . . 84 MET CB . 26374 1 402 . 1 . 1 84 84 MET CE C 13 17.52 0.2 . 1 . . . . . 84 MET CE . 26374 1 403 . 1 . 1 84 84 MET CG C 13 30.93 0.2 . 1 . . . . . 84 MET CG . 26374 1 404 . 1 . 1 84 84 MET N N 15 123.39 0.2 . 1 . . . . . 84 MET N . 26374 1 405 . 1 . 1 85 85 LEU C C 13 178.72 0.2 . 1 . . . . . 85 LEU C . 26374 1 406 . 1 . 1 85 85 LEU CA C 13 55.39 0.2 . 1 . . . . . 85 LEU CA . 26374 1 407 . 1 . 1 85 85 LEU CB C 13 44.99 0.2 . 1 . . . . . 85 LEU CB . 26374 1 408 . 1 . 1 85 85 LEU CD1 C 13 27.63 0.2 . 1 . . . . . 85 LEU CD . 26374 1 409 . 1 . 1 85 85 LEU CD2 C 13 27.63 0.2 . 1 . . . . . 85 LEU CD . 26374 1 410 . 1 . 1 85 85 LEU CG C 13 32.43 0.2 . 1 . . . . . 85 LEU CG . 26374 1 411 . 1 . 1 85 85 LEU N N 15 118.75 0.2 . 1 . . . . . 85 LEU N . 26374 1 412 . 1 . 1 86 86 LEU C C 13 178.10 0.2 . 1 . . . . . 86 LEU C . 26374 1 413 . 1 . 1 86 86 LEU CA C 13 55.73 0.2 . 1 . . . . . 86 LEU CA . 26374 1 414 . 1 . 1 86 86 LEU CB C 13 41.12 0.2 . 1 . . . . . 86 LEU CB . 26374 1 415 . 1 . 1 86 86 LEU CD1 C 13 24.16 0.2 . 1 . . . . . 86 LEU CD . 26374 1 416 . 1 . 1 86 86 LEU CD2 C 13 24.16 0.2 . 1 . . . . . 86 LEU CD . 26374 1 417 . 1 . 1 86 86 LEU CG C 13 26.71 0.2 . 1 . . . . . 86 LEU CG . 26374 1 418 . 1 . 1 86 86 LEU N N 15 126.93 0.2 . 1 . . . . . 86 LEU N . 26374 1 419 . 1 . 1 87 87 SER C C 13 176.14 0.2 . 1 . . . . . 87 SER C . 26374 1 420 . 1 . 1 87 87 SER CA C 13 62.42 0.2 . 1 . . . . . 87 SER CA . 26374 1 421 . 1 . 1 87 87 SER CB C 13 65.98 0.2 . 1 . . . . . 87 SER CB . 26374 1 422 . 1 . 1 87 87 SER N N 15 122.83 0.2 . 1 . . . . . 87 SER N . 26374 1 423 . 1 . 1 88 88 ILE C C 13 175.87 0.2 . 1 . . . . . 88 ILE C . 26374 1 424 . 1 . 1 88 88 ILE CA C 13 59.63 0.2 . 1 . . . . . 88 ILE CA . 26374 1 425 . 1 . 1 88 88 ILE CB C 13 42.11 0.2 . 1 . . . . . 88 ILE CB . 26374 1 426 . 1 . 1 88 88 ILE CG1 C 13 21.93 0.2 . 1 . . . . . 88 ILE CG1 . 26374 1 427 . 1 . 1 88 88 ILE N N 15 134.51 0.2 . 1 . . . . . 88 ILE N . 26374 1 428 . 1 . 1 89 89 ASP C C 13 178.81 0.2 . 1 . . . . . 89 ASP C . 26374 1 429 . 1 . 1 89 89 ASP CA C 13 53.34 0.2 . 1 . . . . . 89 ASP CA . 26374 1 430 . 1 . 1 89 89 ASP CB C 13 42.79 0.2 . 1 . . . . . 89 ASP CB . 26374 1 431 . 1 . 1 89 89 ASP N N 15 121.19 0.2 . 1 . . . . . 89 ASP N . 26374 1 432 . 1 . 1 90 90 LYS C C 13 178.10 0.2 . 1 . . . . . 90 LYS C . 26374 1 433 . 1 . 1 90 90 LYS CA C 13 60.04 0.2 . 1 . . . . . 90 LYS CA . 26374 1 434 . 1 . 1 90 90 LYS CB C 13 29.39 0.2 . 1 . . . . . 90 LYS CB . 26374 1 435 . 1 . 1 90 90 LYS N N 15 120.77 0.2 . 1 . . . . . 90 LYS N . 26374 1 436 . 1 . 1 91 91 SER C C 13 178.57 0.2 . 1 . . . . . 91 SER C . 26374 1 437 . 1 . 1 91 91 SER CA C 13 63.17 0.2 . 1 . . . . . 91 SER CA . 26374 1 438 . 1 . 1 91 91 SER CB C 13 69.96 0.2 . 1 . . . . . 91 SER CB . 26374 1 439 . 1 . 1 91 91 SER N N 15 126.61 0.2 . 1 . . . . . 91 SER N . 26374 1 440 . 1 . 1 92 92 ILE C C 13 178.98 0.2 . 1 . . . . . 92 ILE C . 26374 1 441 . 1 . 1 92 92 ILE CA C 13 68.88 0.2 . 1 . . . . . 92 ILE CA . 26374 1 442 . 1 . 1 92 92 ILE N N 15 120.72 0.2 . 1 . . . . . 92 ILE N . 26374 1 443 . 1 . 1 93 93 LYS C C 13 175.90 0.2 . 1 . . . . . 93 LYS C . 26374 1 444 . 1 . 1 93 93 LYS CA C 13 60.30 0.2 . 1 . . . . . 93 LYS CA . 26374 1 445 . 1 . 1 93 93 LYS CB C 13 33.00 0.2 . 1 . . . . . 93 LYS CB . 26374 1 446 . 1 . 1 93 93 LYS CD C 13 30.28 0.2 . 1 . . . . . 93 LYS CD . 26374 1 447 . 1 . 1 94 94 LEU C C 13 178.11 0.2 . 1 . . . . . 94 LEU C . 26374 1 448 . 1 . 1 94 94 LEU CA C 13 56.73 0.2 . 1 . . . . . 94 LEU CA . 26374 1 449 . 1 . 1 94 94 LEU CB C 13 36.72 0.2 . 1 . . . . . 94 LEU CB . 26374 1 450 . 1 . 1 94 94 LEU CD1 C 13 27.51 0.2 . 1 . . . . . 94 LEU CD . 26374 1 451 . 1 . 1 94 94 LEU CD2 C 13 27.51 0.2 . 1 . . . . . 94 LEU CD . 26374 1 452 . 1 . 1 94 94 LEU CG C 13 32.81 0.2 . 1 . . . . . 94 LEU CG . 26374 1 453 . 1 . 1 94 94 LEU N N 15 118.57 0.2 . 1 . . . . . 94 LEU N . 26374 1 454 . 1 . 1 95 95 GLU C C 13 178.10 0.2 . 1 . . . . . 95 GLU C . 26374 1 455 . 1 . 1 95 95 GLU CA C 13 60.58 0.2 . 1 . . . . . 95 GLU CA . 26374 1 456 . 1 . 1 95 95 GLU CB C 13 30.44 0.2 . 1 . . . . . 95 GLU CB . 26374 1 457 . 1 . 1 95 95 GLU CD C 13 179.10 0.2 . 1 . . . . . 95 GLU CD . 26374 1 458 . 1 . 1 95 95 GLU CG C 13 33.57 0.2 . 1 . . . . . 95 GLU CG . 26374 1 459 . 1 . 1 95 95 GLU N N 15 122.66 0.2 . 1 . . . . . 95 GLU N . 26374 1 460 . 1 . 1 96 96 ILE CA C 13 65.59 0.2 . 1 . . . . . 96 ILE CA . 26374 1 461 . 1 . 1 96 96 ILE CB C 13 38.57 0.2 . 1 . . . . . 96 ILE CB . 26374 1 462 . 1 . 1 96 96 ILE N N 15 116.63 0.2 . 1 . . . . . 96 ILE N . 26374 1 463 . 1 . 1 104 104 MET C C 13 179.23 0.2 . 1 . . . . . 104 MET C . 26374 1 464 . 1 . 1 104 104 MET CA C 13 59.14 0.2 . 1 . . . . . 104 MET CA . 26374 1 465 . 1 . 1 104 104 MET CB C 13 30.60 0.2 . 1 . . . . . 104 MET CB . 26374 1 466 . 1 . 1 105 105 ILE C C 13 178.90 0.2 . 1 . . . . . 105 ILE C . 26374 1 467 . 1 . 1 105 105 ILE CA C 13 66.60 0.2 . 1 . . . . . 105 ILE CA . 26374 1 468 . 1 . 1 105 105 ILE CB C 13 38.61 0.2 . 1 . . . . . 105 ILE CB . 26374 1 469 . 1 . 1 105 105 ILE N N 15 120.67 0.2 . 1 . . . . . 105 ILE N . 26374 1 470 . 1 . 1 106 106 THR C C 13 178.07 0.2 . 1 . . . . . 106 THR C . 26374 1 471 . 1 . 1 106 106 THR CA C 13 66.61 0.2 . 1 . . . . . 106 THR CA . 26374 1 472 . 1 . 1 106 106 THR CB C 13 68.79 0.2 . 1 . . . . . 106 THR CB . 26374 1 473 . 1 . 1 106 106 THR N N 15 110.96 0.2 . 1 . . . . . 106 THR N . 26374 1 474 . 1 . 1 107 107 GLY C C 13 176.49 0.2 . 1 . . . . . 107 GLY C . 26374 1 475 . 1 . 1 107 107 GLY CA C 13 47.63 0.2 . 1 . . . . . 107 GLY CA . 26374 1 476 . 1 . 1 107 107 GLY N N 15 112.48 0.2 . 1 . . . . . 107 GLY N . 26374 1 477 . 1 . 1 108 108 LEU C C 13 176.71 0.2 . 1 . . . . . 108 LEU C . 26374 1 478 . 1 . 1 108 108 LEU CA C 13 61.52 0.2 . 1 . . . . . 108 LEU CA . 26374 1 479 . 1 . 1 108 108 LEU CB C 13 43.43 0.2 . 1 . . . . . 108 LEU CB . 26374 1 480 . 1 . 1 108 108 LEU CG C 13 28.81 0.2 . 1 . . . . . 108 LEU CG . 26374 1 481 . 1 . 1 108 108 LEU N N 15 127.58 0.2 . 1 . . . . . 108 LEU N . 26374 1 482 . 1 . 1 109 109 LEU C C 13 177.35 0.2 . 1 . . . . . 109 LEU C . 26374 1 483 . 1 . 1 109 109 LEU CA C 13 64.49 0.2 . 1 . . . . . 109 LEU CA . 26374 1 484 . 1 . 1 109 109 LEU CB C 13 38.82 0.2 . 1 . . . . . 109 LEU CB . 26374 1 485 . 1 . 1 109 109 LEU CG C 13 23.33 0.2 . 1 . . . . . 109 LEU CG . 26374 1 486 . 1 . 1 109 109 LEU N N 15 119.27 0.2 . 1 . . . . . 109 LEU N . 26374 1 487 . 1 . 1 110 110 ALA C C 13 179.04 0.2 . 1 . . . . . 110 ALA C . 26374 1 488 . 1 . 1 110 110 ALA CA C 13 55.72 0.2 . 1 . . . . . 110 ALA CA . 26374 1 489 . 1 . 1 110 110 ALA CB C 13 19.14 0.2 . 1 . . . . . 110 ALA CB . 26374 1 490 . 1 . 1 110 110 ALA N N 15 118.62 0.2 . 1 . . . . . 110 ALA N . 26374 1 491 . 1 . 1 111 111 SER C C 13 174.2 0.2 . 1 . . . . . 111 SER C . 26374 1 492 . 1 . 1 111 111 SER CA C 13 63.47 0.2 . 1 . . . . . 111 SER CA . 26374 1 493 . 1 . 1 111 111 SER CB C 13 64.69 0.2 . 1 . . . . . 111 SER CB . 26374 1 494 . 1 . 1 111 111 SER N N 15 115.58 0.2 . 1 . . . . . 111 SER N . 26374 1 495 . 1 . 1 112 112 VAL C C 13 174.23 0.2 . 1 . . . . . 112 VAL C . 26374 1 496 . 1 . 1 112 112 VAL CA C 13 60.93 0.2 . 1 . . . . . 112 VAL CA . 26374 1 497 . 1 . 1 112 112 VAL CB C 13 31.93 0.2 . 1 . . . . . 112 VAL CB . 26374 1 498 . 1 . 1 112 112 VAL N N 15 107.56 0.2 . 1 . . . . . 112 VAL N . 26374 1 499 . 1 . 1 113 113 SER C C 13 172.92 0.2 . 1 . . . . . 113 SER C . 26374 1 500 . 1 . 1 113 113 SER CA C 13 58.13 0.2 . 1 . . . . . 113 SER CA . 26374 1 501 . 1 . 1 113 113 SER CB C 13 66.93 0.2 . 1 . . . . . 113 SER CB . 26374 1 502 . 1 . 1 113 113 SER N N 15 116.38 0.2 . 1 . . . . . 113 SER N . 26374 1 503 . 1 . 1 114 114 GLU C C 13 178.2 0.2 . 1 . . . . . 114 GLU C . 26374 1 504 . 1 . 1 114 114 GLU CA C 13 55.55 0.2 . 1 . . . . . 114 GLU CA . 26374 1 505 . 1 . 1 114 114 GLU CB C 13 35.19 0.2 . 1 . . . . . 114 GLU CB . 26374 1 506 . 1 . 1 114 114 GLU N N 15 116.63 0.2 . 1 . . . . . 114 GLU N . 26374 1 507 . 1 . 1 115 115 GLY C C 13 175.43 0.2 . 1 . . . . . 115 GLY C . 26374 1 508 . 1 . 1 115 115 GLY CA C 13 46.87 0.2 . 1 . . . . . 115 GLY CA . 26374 1 509 . 1 . 1 115 115 GLY N N 15 110.48 0.2 . 1 . . . . . 115 GLY N . 26374 1 510 . 1 . 1 116 116 ILE C C 13 177.64 0.2 . 1 . . . . . 116 ILE C . 26374 1 511 . 1 . 1 116 116 ILE CA C 13 64.80 0.2 . 1 . . . . . 116 ILE CA . 26374 1 512 . 1 . 1 116 116 ILE CB C 13 38.95 0.2 . 1 . . . . . 116 ILE CB . 26374 1 513 . 1 . 1 116 116 ILE N N 15 123.45 0.2 . 1 . . . . . 116 ILE N . 26374 1 514 . 1 . 1 117 117 ILE C C 13 178.00 0.2 . 1 . . . . . 117 ILE C . 26374 1 515 . 1 . 1 117 117 ILE CA C 13 62.97 0.2 . 1 . . . . . 117 ILE CA . 26374 1 516 . 1 . 1 117 117 ILE CB C 13 38.92 0.2 . 1 . . . . . 117 ILE CB . 26374 1 517 . 1 . 1 117 117 ILE N N 15 119.43 0.2 . 1 . . . . . 117 ILE N . 26374 1 518 . 1 . 1 122 122 PHE C C 13 179.93 0.2 . 1 . . . . . 122 PHE C . 26374 1 519 . 1 . 1 123 123 THR C C 13 175.85 0.2 . 1 . . . . . 123 THR C . 26374 1 520 . 1 . 1 123 123 THR CA C 13 67.80 0.2 . 1 . . . . . 123 THR CA . 26374 1 521 . 1 . 1 123 123 THR CB C 13 69.36 0.2 . 1 . . . . . 123 THR CB . 26374 1 522 . 1 . 1 123 123 THR N N 15 114.98 0.2 . 1 . . . . . 123 THR N . 26374 1 523 . 1 . 1 124 124 LEU C C 13 177.51 0.2 . 1 . . . . . 124 LEU C . 26374 1 524 . 1 . 1 124 124 LEU CA C 13 58.80 0.2 . 1 . . . . . 124 LEU CA . 26374 1 525 . 1 . 1 124 124 LEU CB C 13 40.74 0.2 . 1 . . . . . 124 LEU CB . 26374 1 526 . 1 . 1 124 124 LEU N N 15 119.94 0.2 . 1 . . . . . 124 LEU N . 26374 1 527 . 1 . 1 125 125 SER C C 13 178.88 0.2 . 1 . . . . . 125 SER C . 26374 1 528 . 1 . 1 125 125 SER CA C 13 58.69 0.2 . 1 . . . . . 125 SER CA . 26374 1 529 . 1 . 1 125 125 SER CB C 13 64.06 0.2 . 1 . . . . . 125 SER CB . 26374 1 530 . 1 . 1 125 125 SER N N 15 109.47 0.2 . 1 . . . . . 125 SER N . 26374 1 531 . 1 . 1 130 130 LEU C C 13 179.81 0.2 . 1 . . . . . 130 LEU C . 26374 1 532 . 1 . 1 130 130 LEU CA C 13 59.18 0.2 . 1 . . . . . 130 LEU CA . 26374 1 533 . 1 . 1 130 130 LEU CB C 13 42.72 0.2 . 1 . . . . . 130 LEU CB . 26374 1 534 . 1 . 1 130 130 LEU CD1 C 13 28 0.2 . 1 . . . . . 130 LEU CD . 26374 1 535 . 1 . 1 130 130 LEU CD2 C 13 28 0.2 . 1 . . . . . 130 LEU CD . 26374 1 536 . 1 . 1 130 130 LEU CG C 13 31.23 0.2 . 1 . . . . . 130 LEU CG . 26374 1 537 . 1 . 1 131 131 TYR C C 13 178.96 0.2 . 1 . . . . . 131 TYR C . 26374 1 538 . 1 . 1 131 131 TYR CA C 13 58.23 0.2 . 1 . . . . . 131 TYR CA . 26374 1 539 . 1 . 1 131 131 TYR CB C 13 42.14 0.2 . 1 . . . . . 131 TYR CB . 26374 1 540 . 1 . 1 131 131 TYR CG C 13 131.99 0.2 . 1 . . . . . 131 TYR CG . 26374 1 541 . 1 . 1 131 131 TYR N N 15 120.02 0.2 . 1 . . . . . 131 TYR N . 26374 1 542 . 1 . 1 132 132 VAL C C 13 178.98 0.2 . 1 . . . . . 132 VAL C . 26374 1 543 . 1 . 1 132 132 VAL CA C 13 68.47 0.2 . 1 . . . . . 132 VAL CA . 26374 1 544 . 1 . 1 132 132 VAL CB C 13 32.02 0.2 . 1 . . . . . 132 VAL CB . 26374 1 545 . 1 . 1 132 132 VAL CG1 C 13 23.63 0.2 . 2 . . . . . 132 VAL CG1 . 26374 1 546 . 1 . 1 132 132 VAL CG2 C 13 23.63 0.2 . 2 . . . . . 132 VAL CG2 . 26374 1 547 . 1 . 1 132 132 VAL N N 15 119.97 0.2 . 1 . . . . . 132 VAL N . 26374 1 548 . 1 . 1 133 133 LEU C C 13 176.73 0.2 . 1 . . . . . 133 LEU C . 26374 1 549 . 1 . 1 133 133 LEU CA C 13 56.2 0.2 . 1 . . . . . 133 LEU CA . 26374 1 550 . 1 . 1 133 133 LEU CB C 13 42.01 0.2 . 1 . . . . . 133 LEU CB . 26374 1 551 . 1 . 1 133 133 LEU CD1 C 13 27.78 0.2 . 1 . . . . . 133 LEU CD . 26374 1 552 . 1 . 1 133 133 LEU CD2 C 13 27.78 0.2 . 1 . . . . . 133 LEU CD . 26374 1 553 . 1 . 1 133 133 LEU CG C 13 30.21 0.2 . 1 . . . . . 133 LEU CG . 26374 1 554 . 1 . 1 133 133 LEU N N 15 110.95 0.2 . 1 . . . . . 133 LEU N . 26374 1 555 . 1 . 1 134 134 PHE C C 13 178.65 0.2 . 1 . . . . . 134 PHE C . 26374 1 556 . 1 . 1 134 134 PHE CA C 13 57.93 0.2 . 1 . . . . . 134 PHE CA . 26374 1 557 . 1 . 1 134 134 PHE CB C 13 41.42 0.2 . 1 . . . . . 134 PHE CB . 26374 1 558 . 1 . 1 134 134 PHE N N 15 106.99 0.2 . 1 . . . . . 134 PHE N . 26374 1 559 . 1 . 1 135 135 GLN C C 13 180.47 0.2 . 1 . . . . . 135 GLN C . 26374 1 560 . 1 . 1 135 135 GLN CA C 13 61.92 0.2 . 1 . . . . . 135 GLN CA . 26374 1 561 . 1 . 1 135 135 GLN CB C 13 31.79 0.2 . 1 . . . . . 135 GLN CB . 26374 1 562 . 1 . 1 135 135 GLN CD C 13 180.49 0.2 . 1 . . . . . 135 GLN CD . 26374 1 563 . 1 . 1 135 135 GLN CG C 13 33.99 0.2 . 1 . . . . . 135 GLN CG . 26374 1 564 . 1 . 1 135 135 GLN N N 15 116.62 0.2 . 1 . . . . . 135 GLN N . 26374 1 565 . 1 . 1 136 136 ILE C C 13 180.08 0.2 . 1 . . . . . 136 ILE C . 26374 1 566 . 1 . 1 136 136 ILE CA C 13 66.61 0.2 . 1 . . . . . 136 ILE CA . 26374 1 567 . 1 . 1 136 136 ILE CB C 13 38.58 0.2 . 1 . . . . . 136 ILE CB . 26374 1 568 . 1 . 1 136 136 ILE N N 15 120.67 0.2 . 1 . . . . . 136 ILE N . 26374 1 569 . 1 . 1 137 137 ILE C C 13 175.79 0.2 . 1 . . . . . 137 ILE C . 26374 1 570 . 1 . 1 137 137 ILE CA C 13 68.89 0.2 . 1 . . . . . 137 ILE CA . 26374 1 571 . 1 . 1 137 137 ILE CB C 13 38.76 0.2 . 1 . . . . . 137 ILE CB . 26374 1 572 . 1 . 1 137 137 ILE CG1 C 13 21.98 0.2 . 1 . . . . . 137 ILE CG1 . 26374 1 573 . 1 . 1 137 137 ILE N N 15 124.37 0.2 . 1 . . . . . 137 ILE N . 26374 1 574 . 1 . 1 138 138 LYS C C 13 179.96 0.2 . 1 . . . . . 138 LYS C . 26374 1 575 . 1 . 1 138 138 LYS CA C 13 61.97 0.2 . 1 . . . . . 138 LYS CA . 26374 1 576 . 1 . 1 138 138 LYS CB C 13 32.38 0.2 . 1 . . . . . 138 LYS CB . 26374 1 577 . 1 . 1 138 138 LYS CD C 13 30.68 0.2 . 1 . . . . . 138 LYS CD . 26374 1 578 . 1 . 1 138 138 LYS CE C 13 42.44 0.2 . 1 . . . . . 138 LYS CE . 26374 1 579 . 1 . 1 138 138 LYS CG C 13 24.05 0.2 . 1 . . . . . 138 LYS CG . 26374 1 580 . 1 . 1 138 138 LYS N N 15 125.29 0.2 . 1 . . . . . 138 LYS N . 26374 1 581 . 1 . 1 139 139 HIS C C 13 178.91 0.2 . 1 . . . . . 139 HIS C . 26374 1 582 . 1 . 1 139 139 HIS CA C 13 59.41 0.2 . 1 . . . . . 139 HIS CA . 26374 1 583 . 1 . 1 139 139 HIS CB C 13 30.61 0.2 . 1 . . . . . 139 HIS CB . 26374 1 584 . 1 . 1 139 139 HIS N N 15 117.86 0.2 . 1 . . . . . 139 HIS N . 26374 1 585 . 1 . 1 140 140 ARG C C 13 180.37 0.2 . 1 . . . . . 140 ARG C . 26374 1 586 . 1 . 1 140 140 ARG CA C 13 59.1 0.2 . 1 . . . . . 140 ARG CA . 26374 1 587 . 1 . 1 140 140 ARG CB C 13 34.18 0.2 . 1 . . . . . 140 ARG CB . 26374 1 588 . 1 . 1 140 140 ARG CD C 13 42.7 0.2 . 1 . . . . . 140 ARG CD . 26374 1 589 . 1 . 1 140 140 ARG CG C 13 29.85 0.2 . 1 . . . . . 140 ARG CG . 26374 1 590 . 1 . 1 140 140 ARG CZ C 13 165.61 0.2 . 1 . . . . . 140 ARG CZ . 26374 1 591 . 1 . 1 140 140 ARG N N 15 121.38 0.2 . 1 . . . . . 140 ARG N . 26374 1 592 . 1 . 1 141 141 SER C C 13 180.89 0.2 . 1 . . . . . 141 SER C . 26374 1 593 . 1 . 1 141 141 SER CA C 13 58.98 0.2 . 1 . . . . . 141 SER CA . 26374 1 594 . 1 . 1 141 141 SER CB C 13 66.97 0.2 . 1 . . . . . 141 SER CB . 26374 1 595 . 1 . 1 141 141 SER N N 15 119.94 0.2 . 1 . . . . . 141 SER N . 26374 1 596 . 1 . 1 142 142 ASN C C 13 179.74 0.2 . 1 . . . . . 142 ASN C . 26374 1 597 . 1 . 1 142 142 ASN CA C 13 53.46 0.2 . 1 . . . . . 142 ASN CA . 26374 1 598 . 1 . 1 142 142 ASN CG C 13 177.35 0.2 . 1 . . . . . 142 ASN CG . 26374 1 599 . 1 . 1 142 142 ASN N N 15 114.19 0.2 . 1 . . . . . 142 ASN N . 26374 1 600 . 1 . 1 143 143 GLU C C 13 179.21 0.2 . 1 . . . . . 143 GLU C . 26374 1 601 . 1 . 1 143 143 GLU CA C 13 57.07 0.2 . 1 . . . . . 143 GLU CA . 26374 1 602 . 1 . 1 143 143 GLU CB C 13 30.7 0.2 . 1 . . . . . 143 GLU CB . 26374 1 603 . 1 . 1 143 143 GLU CG C 13 33.34 0.2 . 1 . . . . . 143 GLU CG . 26374 1 604 . 1 . 1 143 143 GLU N N 15 114.47 0.2 . 1 . . . . . 143 GLU N . 26374 1 605 . 1 . 1 144 144 LYS C C 13 178.42 0.2 . 1 . . . . . 144 LYS C . 26374 1 606 . 1 . 1 144 144 LYS CA C 13 57.24 0.2 . 1 . . . . . 144 LYS CA . 26374 1 607 . 1 . 1 144 144 LYS CB C 13 30.9 0.2 . 1 . . . . . 144 LYS CB . 26374 1 608 . 1 . 1 144 144 LYS CD C 13 26.95 0.2 . 1 . . . . . 144 LYS CD . 26374 1 609 . 1 . 1 144 144 LYS CE C 13 24.54 0.2 . 1 . . . . . 144 LYS CE . 26374 1 610 . 1 . 1 144 144 LYS CG C 13 27.58 0.2 . 1 . . . . . 144 LYS CG . 26374 1 611 . 1 . 1 144 144 LYS N N 15 117.92 0.2 . 1 . . . . . 144 LYS N . 26374 1 612 . 1 . 1 145 145 PHE C C 13 178.4 0.2 . 1 . . . . . 145 PHE C . 26374 1 613 . 1 . 1 145 145 PHE CA C 13 57.73 0.2 . 1 . . . . . 145 PHE CA . 26374 1 614 . 1 . 1 145 145 PHE CB C 13 41.99 0.2 . 1 . . . . . 145 PHE CB . 26374 1 615 . 1 . 1 145 145 PHE N N 15 117.48 0.2 . 1 . . . . . 145 PHE N . 26374 1 616 . 1 . 1 149 149 PHE C C 13 178.14 0.2 . 1 . . . . . 149 PHE C . 26374 1 617 . 1 . 1 149 149 PHE CA C 13 64.64 0.2 . 1 . . . . . 149 PHE CA . 26374 1 618 . 1 . 1 149 149 PHE CB C 13 38.68 0.2 . 1 . . . . . 149 PHE CB . 26374 1 619 . 1 . 1 149 149 PHE CD1 C 13 130.98 0.2 . 1 . . . . . 149 PHE CD . 26374 1 620 . 1 . 1 149 149 PHE CD2 C 13 130.98 0.2 . 1 . . . . . 149 PHE CD . 26374 1 621 . 1 . 1 149 149 PHE CE1 C 13 129.88 0.2 . 1 . . . . . 149 PHE CE . 26374 1 622 . 1 . 1 149 149 PHE CE2 C 13 129.88 0.2 . 1 . . . . . 149 PHE CE . 26374 1 623 . 1 . 1 149 149 PHE CG C 13 132.83 0.2 . 1 . . . . . 149 PHE CG . 26374 1 624 . 1 . 1 150 150 VAL C C 13 177.56 0.2 . 1 . . . . . 150 VAL C . 26374 1 625 . 1 . 1 150 150 VAL CA C 13 67.05 0.2 . 1 . . . . . 150 VAL CA . 26374 1 626 . 1 . 1 150 150 VAL CB C 13 32.08 0.2 . 1 . . . . . 150 VAL CB . 26374 1 627 . 1 . 1 150 150 VAL CG1 C 13 17.73 0.2 . 2 . . . . . 150 VAL CG1 . 26374 1 628 . 1 . 1 150 150 VAL CG2 C 13 17.73 0.2 . 2 . . . . . 150 VAL CG2 . 26374 1 629 . 1 . 1 150 150 VAL N N 15 119.97 0.2 . 1 . . . . . 150 VAL N . 26374 1 630 . 1 . 1 151 151 ALA C C 13 179.00 0.2 . 1 . . . . . 151 ALA C . 26374 1 631 . 1 . 1 151 151 ALA CA C 13 53.00 0.2 . 1 . . . . . 151 ALA CA . 26374 1 632 . 1 . 1 151 151 ALA CB C 13 19.50 0.2 . 1 . . . . . 151 ALA CB . 26374 1 633 . 1 . 1 151 151 ALA N N 15 113.70 0.2 . 1 . . . . . 151 ALA N . 26374 1 634 . 1 . 1 152 152 ILE C C 13 180.03 0.2 . 1 . . . . . 152 ILE C . 26374 1 635 . 1 . 1 152 152 ILE CA C 13 66.72 0.2 . 1 . . . . . 152 ILE CA . 26374 1 636 . 1 . 1 152 152 ILE CB C 13 38.75 0.2 . 1 . . . . . 152 ILE CB . 26374 1 637 . 1 . 1 153 153 PHE C C 13 179.97 0.2 . 1 . . . . . 153 PHE C . 26374 1 638 . 1 . 1 153 153 PHE CA C 13 58.59 0.2 . 1 . . . . . 153 PHE CA . 26374 1 639 . 1 . 1 153 153 PHE CB C 13 38.58 0.2 . 1 . . . . . 153 PHE CB . 26374 1 640 . 1 . 1 153 153 PHE N N 15 120.72 0.2 . 1 . . . . . 153 PHE N . 26374 1 641 . 1 . 1 154 154 TRP C C 13 179.32 0.2 . 1 . . . . . 154 TRP C . 26374 1 642 . 1 . 1 154 154 TRP CA C 13 63.71 0.2 . 1 . . . . . 154 TRP CA . 26374 1 643 . 1 . 1 154 154 TRP CB C 13 33.23 0.2 . 1 . . . . . 154 TRP CB . 26374 1 644 . 1 . 1 154 154 TRP N N 15 120.11 0.2 . 1 . . . . . 154 TRP N . 26374 1 645 . 1 . 1 155 155 SER C C 13 173.92 0.2 . 1 . . . . . 155 SER C . 26374 1 646 . 1 . 1 155 155 SER CA C 13 61.41 0.2 . 1 . . . . . 155 SER CA . 26374 1 647 . 1 . 1 155 155 SER CB C 13 63.59 0.2 . 1 . . . . . 155 SER CB . 26374 1 648 . 1 . 1 155 155 SER N N 15 112.38 0.2 . 1 . . . . . 155 SER N . 26374 1 649 . 1 . 1 156 156 GLY C C 13 175.4 0.2 . 1 . . . . . 156 GLY C . 26374 1 650 . 1 . 1 156 156 GLY CA C 13 47.61 0.2 . 1 . . . . . 156 GLY CA . 26374 1 651 . 1 . 1 156 156 GLY N N 15 104.54 0.2 . 1 . . . . . 156 GLY N . 26374 1 652 . 1 . 1 157 157 PHE C C 13 176.37 0.2 . 1 . . . . . 157 PHE C . 26374 1 653 . 1 . 1 157 157 PHE CA C 13 65.6 0.2 . 1 . . . . . 157 PHE CA . 26374 1 654 . 1 . 1 157 157 PHE CB C 13 38.66 0.2 . 1 . . . . . 157 PHE CB . 26374 1 655 . 1 . 1 157 157 PHE N N 15 117.07 0.2 . 1 . . . . . 157 PHE N . 26374 1 656 . 1 . 1 158 158 PRO CA C 13 65.89 0.2 . 1 . . . . . 158 PRO CA . 26374 1 657 . 1 . 1 158 158 PRO CB C 13 30.11 0.2 . 1 . . . . . 158 PRO CB . 26374 1 658 . 1 . 1 158 158 PRO CD C 13 50 0.2 . 1 . . . . . 158 PRO CD . 26374 1 659 . 1 . 1 158 158 PRO N N 15 133.03 0.2 . 1 . . . . . 158 PRO N . 26374 1 660 . 1 . 1 164 164 SER C C 13 175.04 0.2 . 1 . . . . . 164 SER C . 26374 1 661 . 1 . 1 165 165 PRO C C 13 175.3 0.2 . 1 . . . . . 165 PRO C . 26374 1 662 . 1 . 1 165 165 PRO CA C 13 65.33 0.2 . 1 . . . . . 165 PRO CA . 26374 1 663 . 1 . 1 165 165 PRO CB C 13 33.88 0.2 . 1 . . . . . 165 PRO CB . 26374 1 664 . 1 . 1 165 165 PRO CD C 13 53.36 0.2 . 1 . . . . . 165 PRO CD . 26374 1 665 . 1 . 1 165 165 PRO CG C 13 28.72 0.2 . 1 . . . . . 165 PRO CG . 26374 1 666 . 1 . 1 165 165 PRO N N 15 134.8 0.2 . 1 . . . . . 165 PRO N . 26374 1 667 . 1 . 1 166 166 ALA C C 13 175.03 0.2 . 1 . . . . . 166 ALA C . 26374 1 668 . 1 . 1 166 166 ALA CA C 13 53.05 0.2 . 1 . . . . . 166 ALA CA . 26374 1 669 . 1 . 1 166 166 ALA CB C 13 20.93 0.2 . 1 . . . . . 166 ALA CB . 26374 1 670 . 1 . 1 166 166 ALA N N 15 113.68 0.2 . 1 . . . . . 166 ALA N . 26374 1 671 . 1 . 1 167 167 GLY C C 13 175.09 0.2 . 1 . . . . . 167 GLY C . 26374 1 672 . 1 . 1 167 167 GLY CA C 13 45.32 0.2 . 1 . . . . . 167 GLY CA . 26374 1 673 . 1 . 1 167 167 GLY N N 15 107.43 0.2 . 1 . . . . . 167 GLY N . 26374 1 674 . 1 . 1 168 168 LEU C C 13 176.91 0.2 . 1 . . . . . 168 LEU C . 26374 1 675 . 1 . 1 168 168 LEU CA C 13 55.68 0.2 . 1 . . . . . 168 LEU CA . 26374 1 676 . 1 . 1 168 168 LEU CB C 13 43.41 0.2 . 1 . . . . . 168 LEU CB . 26374 1 677 . 1 . 1 168 168 LEU N N 15 127.04 0.2 . 1 . . . . . 168 LEU N . 26374 1 678 . 1 . 1 169 169 MET C C 13 179.79 0.2 . 1 . . . . . 169 MET C . 26374 1 679 . 1 . 1 169 169 MET CA C 13 58.91 0.2 . 1 . . . . . 169 MET CA . 26374 1 680 . 1 . 1 169 169 MET CB C 13 27.56 0.2 . 1 . . . . . 169 MET CB . 26374 1 681 . 1 . 1 169 169 MET CG C 13 23.89 0.2 . 1 . . . . . 169 MET CG . 26374 1 682 . 1 . 1 169 169 MET N N 15 113 0.2 . 1 . . . . . 169 MET N . 26374 1 683 . 1 . 1 170 170 LEU C C 13 180.29 0.2 . 1 . . . . . 170 LEU C . 26374 1 684 . 1 . 1 170 170 LEU CA C 13 57.73 0.2 . 1 . . . . . 170 LEU CA . 26374 1 685 . 1 . 1 170 170 LEU CB C 13 42 0.2 . 1 . . . . . 170 LEU CB . 26374 1 686 . 1 . 1 170 170 LEU CD1 C 13 36.85 0.2 . 1 . . . . . 170 LEU CD . 26374 1 687 . 1 . 1 170 170 LEU CD2 C 13 36.85 0.2 . 1 . . . . . 170 LEU CD . 26374 1 688 . 1 . 1 170 170 LEU CG C 13 27.83 0.2 . 1 . . . . . 170 LEU CG . 26374 1 689 . 1 . 1 170 170 LEU N N 15 119.37 0.2 . 1 . . . . . 170 LEU N . 26374 1 690 . 1 . 1 171 171 ILE C C 13 177.79 0.2 . 1 . . . . . 171 ILE N . 26374 1 691 . 1 . 1 171 171 ILE CA C 13 61.83 0.2 . 1 . . . . . 171 ILE CA . 26374 1 692 . 1 . 1 171 171 ILE CB C 13 33.61 0.2 . 1 . . . . . 171 ILE CB . 26374 1 693 . 1 . 1 171 171 ILE CG1 C 13 24.79 0.2 . 1 . . . . . 171 ILE CG1 . 26374 1 694 . 1 . 1 171 171 ILE CG2 C 13 19.22 0.2 . 1 . . . . . 171 ILE CG2 . 26374 1 695 . 1 . 1 171 171 ILE N N 15 122.78 0.2 . 1 . . . . . 171 ILE C . 26374 1 696 . 1 . 1 172 172 ASP CA C 13 63.73 0.2 . 1 . . . . . 172 ASP CA . 26374 1 697 . 1 . 1 172 172 ASP N N 15 118.67 0.2 . 1 . . . . . 172 ASP N . 26374 1 698 . 1 . 1 176 176 THR C C 13 175.32 0.2 . 1 . . . . . 176 THR N . 26374 1 699 . 1 . 1 176 176 THR CA C 13 66.61 0.2 . 1 . . . . . 176 THR C . 26374 1 700 . 1 . 1 177 177 ALA C C 13 181.89 0.2 . 1 . . . . . 177 ALA C . 26374 1 701 . 1 . 1 177 177 ALA CA C 13 55.84 0.2 . 1 . . . . . 177 ALA CA . 26374 1 702 . 1 . 1 177 177 ALA CB C 13 20.5 0.2 . 1 . . . . . 177 ALA CB . 26374 1 703 . 1 . 1 177 177 ALA N N 15 121 0.2 . 1 . . . . . 177 ALA N . 26374 1 704 . 1 . 1 178 178 LEU C C 13 178.43 0.2 . 1 . . . . . 178 LEU C . 26374 1 705 . 1 . 1 178 178 LEU CA C 13 59.87 0.2 . 1 . . . . . 178 LEU CA . 26374 1 706 . 1 . 1 178 178 LEU CB C 13 41.75 0.2 . 1 . . . . . 178 LEU CB . 26374 1 707 . 1 . 1 178 178 LEU N N 15 123.36 0.2 . 1 . . . . . 178 LEU N . 26374 1 708 . 1 . 1 180 180 TYR C C 13 182.32 0.2 . 1 . . . . . 180 TYR C . 26374 1 709 . 1 . 1 180 180 TYR CA C 13 58.8 0.2 . 1 . . . . . 180 TYR CA . 26374 1 710 . 1 . 1 180 180 TYR CB C 13 43.59 0.2 . 1 . . . . . 180 TYR CB . 26374 1 711 . 1 . 1 181 181 LEU C C 13 180.04 0.2 . 1 . . . . . 181 LEU C . 26374 1 712 . 1 . 1 181 181 LEU CA C 13 59.04 0.2 . 1 . . . . . 181 LEU CA . 26374 1 713 . 1 . 1 181 181 LEU CB C 13 42.21 0.2 . 1 . . . . . 181 LEU CB . 26374 1 714 . 1 . 1 181 181 LEU CD1 C 13 23.1 0.2 . 1 . . . . . 181 LEU CD . 26374 1 715 . 1 . 1 181 181 LEU CD2 C 13 23.1 0.2 . 1 . . . . . 181 LEU CD . 26374 1 716 . 1 . 1 181 181 LEU CG C 13 27.25 0.2 . 1 . . . . . 181 LEU CG . 26374 1 717 . 1 . 1 181 181 LEU N N 15 123.5 0.2 . 1 . . . . . 181 LEU N . 26374 1 718 . 1 . 1 182 182 VAL C C 13 177.59 0.2 . 1 . . . . . 182 VAL C . 26374 1 719 . 1 . 1 182 182 VAL CA C 13 67.43 0.2 . 1 . . . . . 182 VAL CA . 26374 1 720 . 1 . 1 182 182 VAL CB C 13 32.82 0.2 . 1 . . . . . 182 VAL CB . 26374 1 721 . 1 . 1 182 182 VAL N N 15 114.4 0.2 . 1 . . . . . 182 VAL N . 26374 1 722 . 1 . 1 183 183 LEU C C 13 175.88 0.2 . 1 . . . . . 183 LEU C . 26374 1 723 . 1 . 1 183 183 LEU CA C 13 55.42 0.2 . 1 . . . . . 183 LEU CA . 26374 1 724 . 1 . 1 184 184 ASP C C 13 177.83 0.2 . 1 . . . . . 184 ASP C . 26374 1 725 . 1 . 1 184 184 ASP CA C 13 56.79 0.2 . 1 . . . . . 184 ASP CA . 26374 1 726 . 1 . 1 184 184 ASP CB C 13 38.33 0.2 . 1 . . . . . 184 ASP CB . 26374 1 727 . 1 . 1 184 184 ASP CG C 13 177.76 0.2 . 1 . . . . . 184 ASP CG . 26374 1 728 . 1 . 1 184 184 ASP N N 15 119.38 0.2 . 1 . . . . . 184 ASP N . 26374 1 729 . 1 . 1 185 185 LEU C C 13 177.72 0.2 . 1 . . . . . 185 LEU C . 26374 1 730 . 1 . 1 185 185 LEU CA C 13 58.34 0.2 . 1 . . . . . 185 LEU CA . 26374 1 731 . 1 . 1 185 185 LEU CB C 13 38.63 0.2 . 1 . . . . . 185 LEU CB . 26374 1 732 . 1 . 1 185 185 LEU CG C 13 30.3 0.2 . 1 . . . . . 185 LEU CG . 26374 1 733 . 1 . 1 186 186 ILE C C 13 178.81 0.2 . 1 . . . . . 186 ILE C . 26374 1 734 . 1 . 1 186 186 ILE CA C 13 66.39 0.2 . 1 . . . . . 186 ILE CA . 26374 1 735 . 1 . 1 186 186 ILE CB C 13 38.39 0.2 . 1 . . . . . 186 ILE CB . 26374 1 736 . 1 . 1 186 186 ILE N N 15 119.33 0.2 . 1 . . . . . 186 ILE N . 26374 1 737 . 1 . 1 187 187 THR C C 13 176.99 0.2 . 1 . . . . . 187 THR C . 26374 1 738 . 1 . 1 187 187 THR CA C 13 66.33 0.2 . 1 . . . . . 187 THR CA . 26374 1 739 . 1 . 1 187 187 THR CB C 13 71.67 0.2 . 1 . . . . . 187 THR CB . 26374 1 740 . 1 . 1 187 187 THR N N 15 106.9 0.2 . 1 . . . . . 187 THR N . 26374 1 741 . 1 . 1 188 188 LYS C C 13 178.91 0.2 . 1 . . . . . 188 LYS C . 26374 1 742 . 1 . 1 188 188 LYS CA C 13 57.28 0.2 . 1 . . . . . 188 LYS CA . 26374 1 743 . 1 . 1 188 188 LYS CB C 13 37.85 0.2 . 1 . . . . . 188 LYS CB . 26374 1 744 . 1 . 1 188 188 LYS CD C 13 32.2 0.2 . 1 . . . . . 188 LYS CD . 26374 1 745 . 1 . 1 188 188 LYS CE C 13 55.5 0.2 . 1 . . . . . 188 LYS CE . 26374 1 746 . 1 . 1 188 188 LYS N N 15 115.1 0.2 . 1 . . . . . 188 LYS N . 26374 1 747 . 1 . 1 188 188 LYS NZ N 15 163.1 0.2 . 1 . . . . . 188 LYS NZ . 26374 1 748 . 1 . 1 189 189 VAL C C 13 179.47 0.2 . 1 . . . . . 189 VAL C . 26374 1 749 . 1 . 1 189 189 VAL CA C 13 63.86 0.2 . 1 . . . . . 189 VAL CA . 26374 1 750 . 1 . 1 189 189 VAL CB C 13 32.15 0.2 . 1 . . . . . 189 VAL CB . 26374 1 751 . 1 . 1 189 189 VAL CG1 C 13 27.76 0.2 . 2 . . . . . 189 VAL CG1 . 26374 1 752 . 1 . 1 189 189 VAL CG2 C 13 27.76 0.2 . 2 . . . . . 189 VAL CG2 . 26374 1 753 . 1 . 1 190 190 TYR C C 13 178.91 0.2 . 1 . . . . . 190 TYR C . 26374 1 754 . 1 . 1 190 190 TYR CA C 13 63.27 0.2 . 1 . . . . . 190 TYR CA . 26374 1 755 . 1 . 1 190 190 TYR CB C 13 42.19 0.2 . 1 . . . . . 190 TYR CB . 26374 1 756 . 1 . 1 190 190 TYR N N 15 120.73 0.2 . 1 . . . . . 190 TYR N . 26374 1 757 . 1 . 1 191 191 PHE C C 13 176.5 0.2 . 1 . . . . . 191 PHE C . 26374 1 758 . 1 . 1 191 191 PHE CA C 13 61.46 0.2 . 1 . . . . . 191 PHE CA . 26374 1 759 . 1 . 1 191 191 PHE CB C 13 40.8 0.2 . 1 . . . . . 191 PHE CB . 26374 1 760 . 1 . 1 191 191 PHE CG C 13 129.82 0.2 . 1 . . . . . 191 PHE CG . 26374 1 761 . 1 . 1 191 191 PHE N N 15 115.79 0.2 . 1 . . . . . 191 PHE N . 26374 1 762 . 1 . 1 192 192 GLY C C 13 177.97 0.2 . 1 . . . . . 192 GLY C . 26374 1 763 . 1 . 1 192 192 GLY CA C 13 47.4 0.2 . 1 . . . . . 192 GLY CA . 26374 1 764 . 1 . 1 192 192 GLY N N 15 101.51 0.2 . 1 . . . . . 192 GLY N . 26374 1 stop_ save_