data_34872 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34872 _Entry.Title ; Magic-angle spinning NMR Structure of Opa60 in Lipid Bilayers ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-10-19 _Entry.Accession_date 2023-10-19 _Entry.Last_release_date 2023-12-18 _Entry.Original_release_date 2023-12-18 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Forster M. C. . . 34872 2 L. Andreas L. B. . . 34872 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'BACTERIAL OUTER MEMBRANE' . 34872 'BETA BARREL' . 34872 'CELL ADHESION' . 34872 'STRUCTURE FROM CYANA 3.98.15' . 34872 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34872 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 34872 '15N chemical shifts' 84 34872 '1H chemical shifts' 83 34872 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 . . 2024-07-17 . original BMRB . 34872 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8QWQ 'BMRB Entry Tracking System' 34872 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34872 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39010882 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Magic-angle spinning NMR structure of Opa60 in lipid bilayers ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol. X' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year 2024 _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 M. Forster M. C. . . 34872 1 2 K. Movellan K. T. . . 34872 1 3 E. Najbauer E. E. . . 34872 1 4 S. Becker S. . . . 34872 1 5 L. Andreas L. B. . . 34872 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34872 _Assembly.ID 1 _Assembly.Name 'Opacity protein opA60 (Fragment)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34872 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34872 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASEDGGRGPYVQADLAYAY EHITHDYPEPTAPNKNKIST VSDYFRNIRTRSVHPRVSVG YDFGGWRIAADYARYRKWNN NKYSVNIENVRIRKENGIRI DRKTENQENGTFHAVSSLGL SAIYDFQINDKFKPYIGARV AYGHVRHSIDSTKKTIEVTT VPSNAPNGAVTTYNTDPKTQ NDYQSNSIRRVGLGVIAGVG FDITPKLTLDAGYRYHNWGR LENTRFKTHEASLGVRYRFK LAAALEHHHHHH ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 252 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28772.986 _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 . MET . 34872 1 2 . ALA . 34872 1 3 . SER . 34872 1 4 . GLU . 34872 1 5 . ASP . 34872 1 6 . GLY . 34872 1 7 . GLY . 34872 1 8 . ARG . 34872 1 9 . GLY . 34872 1 10 . PRO . 34872 1 11 . TYR . 34872 1 12 . VAL . 34872 1 13 . GLN . 34872 1 14 . ALA . 34872 1 15 . ASP . 34872 1 16 . LEU . 34872 1 17 . ALA . 34872 1 18 . TYR . 34872 1 19 . ALA . 34872 1 20 . TYR . 34872 1 21 . GLU . 34872 1 22 . HIS . 34872 1 23 . ILE . 34872 1 24 . THR . 34872 1 25 . HIS . 34872 1 26 . ASP . 34872 1 27 . TYR . 34872 1 28 . PRO . 34872 1 29 . GLU . 34872 1 30 . PRO . 34872 1 31 . THR . 34872 1 32 . ALA . 34872 1 33 . PRO . 34872 1 34 . ASN . 34872 1 35 . LYS . 34872 1 36 . ASN . 34872 1 37 . LYS . 34872 1 38 . ILE . 34872 1 39 . SER . 34872 1 40 . THR . 34872 1 41 . VAL . 34872 1 42 . SER . 34872 1 43 . ASP . 34872 1 44 . TYR . 34872 1 45 . PHE . 34872 1 46 . ARG . 34872 1 47 . ASN . 34872 1 48 . ILE . 34872 1 49 . ARG . 34872 1 50 . THR . 34872 1 51 . ARG . 34872 1 52 . SER . 34872 1 53 . VAL . 34872 1 54 . HIS . 34872 1 55 . PRO . 34872 1 56 . ARG . 34872 1 57 . VAL . 34872 1 58 . SER . 34872 1 59 . VAL . 34872 1 60 . GLY . 34872 1 61 . TYR . 34872 1 62 . ASP . 34872 1 63 . PHE . 34872 1 64 . GLY . 34872 1 65 . GLY . 34872 1 66 . TRP . 34872 1 67 . ARG . 34872 1 68 . ILE . 34872 1 69 . ALA . 34872 1 70 . ALA . 34872 1 71 . ASP . 34872 1 72 . TYR . 34872 1 73 . ALA . 34872 1 74 . ARG . 34872 1 75 . TYR . 34872 1 76 . ARG . 34872 1 77 . LYS . 34872 1 78 . TRP . 34872 1 79 . ASN . 34872 1 80 . ASN . 34872 1 81 . ASN . 34872 1 82 . LYS . 34872 1 83 . TYR . 34872 1 84 . SER . 34872 1 85 . VAL . 34872 1 86 . ASN . 34872 1 87 . ILE . 34872 1 88 . GLU . 34872 1 89 . ASN . 34872 1 90 . VAL . 34872 1 91 . ARG . 34872 1 92 . ILE . 34872 1 93 . ARG . 34872 1 94 . LYS . 34872 1 95 . GLU . 34872 1 96 . ASN . 34872 1 97 . GLY . 34872 1 98 . ILE . 34872 1 99 . ARG . 34872 1 100 . ILE . 34872 1 101 . ASP . 34872 1 102 . ARG . 34872 1 103 . LYS . 34872 1 104 . THR . 34872 1 105 . GLU . 34872 1 106 . ASN . 34872 1 107 . GLN . 34872 1 108 . GLU . 34872 1 109 . ASN . 34872 1 110 . GLY . 34872 1 111 . THR . 34872 1 112 . PHE . 34872 1 113 . HIS . 34872 1 114 . ALA . 34872 1 115 . VAL . 34872 1 116 . SER . 34872 1 117 . SER . 34872 1 118 . LEU . 34872 1 119 . GLY . 34872 1 120 . LEU . 34872 1 121 . SER . 34872 1 122 . ALA . 34872 1 123 . ILE . 34872 1 124 . TYR . 34872 1 125 . ASP . 34872 1 126 . PHE . 34872 1 127 . GLN . 34872 1 128 . ILE . 34872 1 129 . ASN . 34872 1 130 . ASP . 34872 1 131 . LYS . 34872 1 132 . PHE . 34872 1 133 . LYS . 34872 1 134 . PRO . 34872 1 135 . TYR . 34872 1 136 . ILE . 34872 1 137 . GLY . 34872 1 138 . ALA . 34872 1 139 . ARG . 34872 1 140 . VAL . 34872 1 141 . ALA . 34872 1 142 . TYR . 34872 1 143 . GLY . 34872 1 144 . HIS . 34872 1 145 . VAL . 34872 1 146 . ARG . 34872 1 147 . HIS . 34872 1 148 . SER . 34872 1 149 . ILE . 34872 1 150 . ASP . 34872 1 151 . SER . 34872 1 152 . THR . 34872 1 153 . LYS . 34872 1 154 . LYS . 34872 1 155 . THR . 34872 1 156 . ILE . 34872 1 157 . GLU . 34872 1 158 . VAL . 34872 1 159 . THR . 34872 1 160 . THR . 34872 1 161 . VAL . 34872 1 162 . PRO . 34872 1 163 . SER . 34872 1 164 . ASN . 34872 1 165 . ALA . 34872 1 166 . PRO . 34872 1 167 . ASN . 34872 1 168 . GLY . 34872 1 169 . ALA . 34872 1 170 . VAL . 34872 1 171 . THR . 34872 1 172 . THR . 34872 1 173 . TYR . 34872 1 174 . ASN . 34872 1 175 . THR . 34872 1 176 . ASP . 34872 1 177 . PRO . 34872 1 178 . LYS . 34872 1 179 . THR . 34872 1 180 . GLN . 34872 1 181 . ASN . 34872 1 182 . ASP . 34872 1 183 . TYR . 34872 1 184 . GLN . 34872 1 185 . SER . 34872 1 186 . ASN . 34872 1 187 . SER . 34872 1 188 . ILE . 34872 1 189 . ARG . 34872 1 190 . ARG . 34872 1 191 . VAL . 34872 1 192 . GLY . 34872 1 193 . LEU . 34872 1 194 . GLY . 34872 1 195 . VAL . 34872 1 196 . ILE . 34872 1 197 . ALA . 34872 1 198 . GLY . 34872 1 199 . VAL . 34872 1 200 . GLY . 34872 1 201 . PHE . 34872 1 202 . ASP . 34872 1 203 . ILE . 34872 1 204 . THR . 34872 1 205 . PRO . 34872 1 206 . LYS . 34872 1 207 . LEU . 34872 1 208 . THR . 34872 1 209 . LEU . 34872 1 210 . ASP . 34872 1 211 . ALA . 34872 1 212 . GLY . 34872 1 213 . TYR . 34872 1 214 . ARG . 34872 1 215 . TYR . 34872 1 216 . HIS . 34872 1 217 . ASN . 34872 1 218 . TRP . 34872 1 219 . GLY . 34872 1 220 . ARG . 34872 1 221 . LEU . 34872 1 222 . GLU . 34872 1 223 . ASN . 34872 1 224 . THR . 34872 1 225 . ARG . 34872 1 226 . PHE . 34872 1 227 . LYS . 34872 1 228 . THR . 34872 1 229 . HIS . 34872 1 230 . GLU . 34872 1 231 . ALA . 34872 1 232 . SER . 34872 1 233 . LEU . 34872 1 234 . GLY . 34872 1 235 . VAL . 34872 1 236 . ARG . 34872 1 237 . TYR . 34872 1 238 . ARG . 34872 1 239 . PHE . 34872 1 240 . LYS . 34872 1 241 . LEU . 34872 1 242 . ALA . 34872 1 243 . ALA . 34872 1 244 . ALA . 34872 1 245 . LEU . 34872 1 246 . GLU . 34872 1 247 . HIS . 34872 1 248 . HIS . 34872 1 249 . HIS . 34872 1 250 . HIS . 34872 1 251 . HIS . 34872 1 252 . HIS . 34872 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 34872 1 . ALA 2 2 34872 1 . SER 3 3 34872 1 . GLU 4 4 34872 1 . ASP 5 5 34872 1 . GLY 6 6 34872 1 . GLY 7 7 34872 1 . ARG 8 8 34872 1 . GLY 9 9 34872 1 . PRO 10 10 34872 1 . TYR 11 11 34872 1 . VAL 12 12 34872 1 . GLN 13 13 34872 1 . ALA 14 14 34872 1 . ASP 15 15 34872 1 . LEU 16 16 34872 1 . ALA 17 17 34872 1 . TYR 18 18 34872 1 . ALA 19 19 34872 1 . TYR 20 20 34872 1 . GLU 21 21 34872 1 . HIS 22 22 34872 1 . ILE 23 23 34872 1 . THR 24 24 34872 1 . HIS 25 25 34872 1 . ASP 26 26 34872 1 . TYR 27 27 34872 1 . PRO 28 28 34872 1 . GLU 29 29 34872 1 . PRO 30 30 34872 1 . THR 31 31 34872 1 . ALA 32 32 34872 1 . PRO 33 33 34872 1 . ASN 34 34 34872 1 . LYS 35 35 34872 1 . ASN 36 36 34872 1 . LYS 37 37 34872 1 . ILE 38 38 34872 1 . SER 39 39 34872 1 . THR 40 40 34872 1 . VAL 41 41 34872 1 . SER 42 42 34872 1 . ASP 43 43 34872 1 . TYR 44 44 34872 1 . PHE 45 45 34872 1 . ARG 46 46 34872 1 . ASN 47 47 34872 1 . ILE 48 48 34872 1 . ARG 49 49 34872 1 . THR 50 50 34872 1 . ARG 51 51 34872 1 . SER 52 52 34872 1 . VAL 53 53 34872 1 . HIS 54 54 34872 1 . PRO 55 55 34872 1 . ARG 56 56 34872 1 . VAL 57 57 34872 1 . SER 58 58 34872 1 . VAL 59 59 34872 1 . GLY 60 60 34872 1 . TYR 61 61 34872 1 . ASP 62 62 34872 1 . PHE 63 63 34872 1 . GLY 64 64 34872 1 . GLY 65 65 34872 1 . TRP 66 66 34872 1 . ARG 67 67 34872 1 . ILE 68 68 34872 1 . ALA 69 69 34872 1 . ALA 70 70 34872 1 . ASP 71 71 34872 1 . TYR 72 72 34872 1 . ALA 73 73 34872 1 . ARG 74 74 34872 1 . TYR 75 75 34872 1 . ARG 76 76 34872 1 . LYS 77 77 34872 1 . TRP 78 78 34872 1 . ASN 79 79 34872 1 . ASN 80 80 34872 1 . ASN 81 81 34872 1 . LYS 82 82 34872 1 . TYR 83 83 34872 1 . SER 84 84 34872 1 . VAL 85 85 34872 1 . ASN 86 86 34872 1 . ILE 87 87 34872 1 . GLU 88 88 34872 1 . ASN 89 89 34872 1 . VAL 90 90 34872 1 . ARG 91 91 34872 1 . ILE 92 92 34872 1 . ARG 93 93 34872 1 . LYS 94 94 34872 1 . GLU 95 95 34872 1 . ASN 96 96 34872 1 . GLY 97 97 34872 1 . ILE 98 98 34872 1 . ARG 99 99 34872 1 . ILE 100 100 34872 1 . ASP 101 101 34872 1 . ARG 102 102 34872 1 . LYS 103 103 34872 1 . THR 104 104 34872 1 . GLU 105 105 34872 1 . ASN 106 106 34872 1 . GLN 107 107 34872 1 . GLU 108 108 34872 1 . ASN 109 109 34872 1 . GLY 110 110 34872 1 . THR 111 111 34872 1 . PHE 112 112 34872 1 . HIS 113 113 34872 1 . ALA 114 114 34872 1 . VAL 115 115 34872 1 . SER 116 116 34872 1 . SER 117 117 34872 1 . LEU 118 118 34872 1 . GLY 119 119 34872 1 . LEU 120 120 34872 1 . SER 121 121 34872 1 . ALA 122 122 34872 1 . ILE 123 123 34872 1 . TYR 124 124 34872 1 . ASP 125 125 34872 1 . PHE 126 126 34872 1 . GLN 127 127 34872 1 . ILE 128 128 34872 1 . ASN 129 129 34872 1 . ASP 130 130 34872 1 . LYS 131 131 34872 1 . PHE 132 132 34872 1 . LYS 133 133 34872 1 . PRO 134 134 34872 1 . TYR 135 135 34872 1 . ILE 136 136 34872 1 . GLY 137 137 34872 1 . ALA 138 138 34872 1 . ARG 139 139 34872 1 . VAL 140 140 34872 1 . ALA 141 141 34872 1 . TYR 142 142 34872 1 . GLY 143 143 34872 1 . HIS 144 144 34872 1 . VAL 145 145 34872 1 . ARG 146 146 34872 1 . HIS 147 147 34872 1 . SER 148 148 34872 1 . ILE 149 149 34872 1 . ASP 150 150 34872 1 . SER 151 151 34872 1 . THR 152 152 34872 1 . LYS 153 153 34872 1 . LYS 154 154 34872 1 . THR 155 155 34872 1 . ILE 156 156 34872 1 . GLU 157 157 34872 1 . VAL 158 158 34872 1 . THR 159 159 34872 1 . THR 160 160 34872 1 . VAL 161 161 34872 1 . PRO 162 162 34872 1 . SER 163 163 34872 1 . ASN 164 164 34872 1 . ALA 165 165 34872 1 . PRO 166 166 34872 1 . ASN 167 167 34872 1 . GLY 168 168 34872 1 . ALA 169 169 34872 1 . VAL 170 170 34872 1 . THR 171 171 34872 1 . THR 172 172 34872 1 . TYR 173 173 34872 1 . ASN 174 174 34872 1 . THR 175 175 34872 1 . ASP 176 176 34872 1 . PRO 177 177 34872 1 . LYS 178 178 34872 1 . THR 179 179 34872 1 . GLN 180 180 34872 1 . ASN 181 181 34872 1 . ASP 182 182 34872 1 . TYR 183 183 34872 1 . GLN 184 184 34872 1 . SER 185 185 34872 1 . ASN 186 186 34872 1 . SER 187 187 34872 1 . ILE 188 188 34872 1 . ARG 189 189 34872 1 . ARG 190 190 34872 1 . VAL 191 191 34872 1 . GLY 192 192 34872 1 . LEU 193 193 34872 1 . GLY 194 194 34872 1 . VAL 195 195 34872 1 . ILE 196 196 34872 1 . ALA 197 197 34872 1 . GLY 198 198 34872 1 . VAL 199 199 34872 1 . GLY 200 200 34872 1 . PHE 201 201 34872 1 . ASP 202 202 34872 1 . ILE 203 203 34872 1 . THR 204 204 34872 1 . PRO 205 205 34872 1 . LYS 206 206 34872 1 . LEU 207 207 34872 1 . THR 208 208 34872 1 . LEU 209 209 34872 1 . ASP 210 210 34872 1 . ALA 211 211 34872 1 . GLY 212 212 34872 1 . TYR 213 213 34872 1 . ARG 214 214 34872 1 . TYR 215 215 34872 1 . HIS 216 216 34872 1 . ASN 217 217 34872 1 . TRP 218 218 34872 1 . GLY 219 219 34872 1 . ARG 220 220 34872 1 . LEU 221 221 34872 1 . GLU 222 222 34872 1 . ASN 223 223 34872 1 . THR 224 224 34872 1 . ARG 225 225 34872 1 . PHE 226 226 34872 1 . LYS 227 227 34872 1 . THR 228 228 34872 1 . HIS 229 229 34872 1 . GLU 230 230 34872 1 . ALA 231 231 34872 1 . SER 232 232 34872 1 . LEU 233 233 34872 1 . GLY 234 234 34872 1 . VAL 235 235 34872 1 . ARG 236 236 34872 1 . TYR 237 237 34872 1 . ARG 238 238 34872 1 . PHE 239 239 34872 1 . LYS 240 240 34872 1 . LEU 241 241 34872 1 . ALA 242 242 34872 1 . ALA 243 243 34872 1 . ALA 244 244 34872 1 . LEU 245 245 34872 1 . GLU 246 246 34872 1 . HIS 247 247 34872 1 . HIS 248 248 34872 1 . HIS 249 249 34872 1 . HIS 250 250 34872 1 . HIS 251 251 34872 1 . HIS 252 252 34872 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34872 _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 . 485 organism . 'Neisseria gonorrhoeae' 'Neisseria gonorrhoeae' . . Bacteria . Neisseria gonorrhoeae . . . . . . . . . . . opaH . 34872 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34872 _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 BL21(DE3)' . . 469008 . . . . . . . . . . . . 34872 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34872 _Sample.ID 1 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 20 mM NA sodium phosphate, 100 mM NA sodium chloride, 20 mM NA magnesium chloride, 33 % w/w NA dimyristoyl-sn-glycero-3-phosphocholine, 67 % w/w [U-99% 13C; U-99% 15N; U-98% 2H] protein, water ; _Sample.Aggregate_sample_number . _Sample.Solvent_system 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34872 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34872 1 3 'magnesium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 34872 1 4 dimyristoyl-sn-glycero-3-phosphocholine 'natural abundance' . . . . . . 33 . . '% w/w' . . . . 34872 1 5 protein '[U-99% 13C; U-99% 15N; U-98% 2H]' . . 1 $entity_1 . . 67 . . '% w/w' . . . . 34872 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34872 _Sample.ID 2 _Sample.Name . _Sample.Type membrane _Sample.Sub_type . _Sample.Details ; 20 mM NA sodium phosphate, 100 mM NA sodium chloride, 20 mM NA magnesium chloride, 33 % w/w Acyl chain deuterated (d54) dimyristoyl-sn-glycero-3-phosphocholine, 67 % w/w [U-99% 13C; U-99% 15N; U-98% 2H] protein, water ; _Sample.Aggregate_sample_number . _Sample.Solvent_system 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34872 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34872 2 3 'magnesium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 34872 2 4 dimyristoyl-sn-glycero-3-phosphocholine 'Acyl chain deuterated (d54)' . . . . . . 33 . . '% w/w' . . . . 34872 2 5 protein '[U-99% 13C; U-99% 15N; U-98% 2H]' . . 1 $entity_1 . . 67 . . '% w/w' . . . . 34872 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34872 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 140 . mM 34872 1 pH 6.2 . pH 34872 1 pressure 1 . atm 34872 1 temperature 298 . K 34872 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34872 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34872 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34872 1 'structure calculation' . 34872 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34872 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 34872 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34872 2 'peak picking' . 34872 2 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 34872 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '1.3 mm HCN probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34872 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '1.3 mm HCN probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34872 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details '0.7 mm HCND probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34872 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III HD' . 800 . . . 34872 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 600 . . . 34872 1 3 NMR_spectrometer_3 Bruker 'AVANCE III HD' . 950 . . . 34872 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34872 _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 (H)CANH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34872 1 2 (H)(CO)CA(CO)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34872 1 3 (H)(CA)CB(CA)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34872 1 4 (H)(CA)CB(CA)(CO)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34872 1 5 (H)CONH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34872 1 6 (H)CO(CA)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34872 1 7 (H)N(CA)(CO)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34872 1 8 HN(H)(H)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34872 1 9 (H)CANH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34872 1 10 (H)NCAHA no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34872 1 11 HC(H)(H)CH no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34872 1 12 (H)NH no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34872 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 34872 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 external indirect 0.251449530 . . . . . 34872 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 34872 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329118 . . . . . 34872 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 34872 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 (H)CANH . . . 34872 1 2 (H)(CO)CA(CO)NH . . . 34872 1 3 (H)(CA)CB(CA)NH . . . 34872 1 4 (H)(CA)CB(CA)(CO)NH . . . 34872 1 5 (H)CONH . . . 34872 1 6 (H)CO(CA)NH . . . 34872 1 7 (H)N(CA)(CO)NH . . . 34872 1 8 HN(H)(H)NH . . . 34872 1 9 (H)CANH . . . 34872 1 10 (H)NCAHA . . . 34872 1 11 HC(H)(H)CH . . . 34872 1 12 (H)NH . . . 34872 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 9 9 GLY H H 1 8.310 0.03 . 1 . . . . A 9 GLY H . 34872 1 2 . 1 . 1 9 9 GLY C C 13 171.001 0.01 . 1 . . . . A 9 GLY C . 34872 1 3 . 1 . 1 9 9 GLY CA C 13 44.082 0.06 . 1 . . . . A 9 GLY CA . 34872 1 4 . 1 . 1 9 9 GLY N N 15 108.881 0.20 . 1 . . . . A 9 GLY N . 34872 1 5 . 1 . 1 10 10 PRO C C 13 174.667 0.00 . 1 . . . . A 10 PRO C . 34872 1 6 . 1 . 1 10 10 PRO CA C 13 61.745 0.00 . 1 . . . . A 10 PRO CA . 34872 1 7 . 1 . 1 10 10 PRO CB C 13 32.301 0.01 . 1 . . . . A 10 PRO CB . 34872 1 8 . 1 . 1 11 11 TYR H H 1 8.607 0.07 . 1 . . . . A 11 TYR H . 34872 1 9 . 1 . 1 11 11 TYR C C 13 173.064 0.08 . 1 . . . . A 11 TYR C . 34872 1 10 . 1 . 1 11 11 TYR CA C 13 56.390 0.01 . 1 . . . . A 11 TYR CA . 34872 1 11 . 1 . 1 11 11 TYR CB C 13 40.867 0.00 . 1 . . . . A 11 TYR CB . 34872 1 12 . 1 . 1 11 11 TYR N N 15 114.444 0.19 . 1 . . . . A 11 TYR N . 34872 1 13 . 1 . 1 12 12 VAL H H 1 8.848 0.03 . 1 . . . . A 12 VAL H . 34872 1 14 . 1 . 1 12 12 VAL C C 13 173.573 0.00 . 1 . . . . A 12 VAL C . 34872 1 15 . 1 . 1 12 12 VAL CA C 13 58.603 0.00 . 1 . . . . A 12 VAL CA . 34872 1 16 . 1 . 1 12 12 VAL CB C 13 34.875 0.00 . 1 . . . . A 12 VAL CB . 34872 1 17 . 1 . 1 12 12 VAL N N 15 114.026 0.12 . 1 . . . . A 12 VAL N . 34872 1 18 . 1 . 1 13 13 GLN H H 1 9.179 0.06 . 1 . . . . A 13 GLN H . 34872 1 19 . 1 . 1 13 13 GLN C C 13 173.471 0.05 . 1 . . . . A 13 GLN C . 34872 1 20 . 1 . 1 13 13 GLN CA C 13 53.856 0.06 . 1 . . . . A 13 GLN CA . 34872 1 21 . 1 . 1 13 13 GLN CB C 13 31.959 0.05 . 1 . . . . A 13 GLN CB . 34872 1 22 . 1 . 1 13 13 GLN N N 15 125.974 0.11 . 1 . . . . A 13 GLN N . 34872 1 23 . 1 . 1 14 14 ALA H H 1 8.578 0.04 . 1 . . . . A 14 ALA H . 34872 1 24 . 1 . 1 14 14 ALA C C 13 173.825 0.00 . 1 . . . . A 14 ALA C . 34872 1 25 . 1 . 1 14 14 ALA CA C 13 50.370 0.02 . 1 . . . . A 14 ALA CA . 34872 1 26 . 1 . 1 14 14 ALA CB C 13 20.973 0.11 . 1 . . . . A 14 ALA CB . 34872 1 27 . 1 . 1 14 14 ALA N N 15 126.766 0.08 . 1 . . . . A 14 ALA N . 34872 1 28 . 1 . 1 15 15 ASP H H 1 8.954 0.04 . 1 . . . . A 15 ASP H . 34872 1 29 . 1 . 1 15 15 ASP C C 13 175.437 0.01 . 1 . . . . A 15 ASP C . 34872 1 30 . 1 . 1 15 15 ASP CA C 13 52.344 0.07 . 1 . . . . A 15 ASP CA . 34872 1 31 . 1 . 1 15 15 ASP CB C 13 46.060 0.00 . 1 . . . . A 15 ASP CB . 34872 1 32 . 1 . 1 15 15 ASP N N 15 117.940 0.06 . 1 . . . . A 15 ASP N . 34872 1 33 . 1 . 1 16 16 LEU H H 1 9.186 0.02 . 1 . . . . A 16 LEU H . 34872 1 34 . 1 . 1 16 16 LEU CA C 13 54.409 0.01 . 1 . . . . A 16 LEU CA . 34872 1 35 . 1 . 1 16 16 LEU CB C 13 42.317 0.00 . 1 . . . . A 16 LEU CB . 34872 1 36 . 1 . 1 16 16 LEU N N 15 122.268 0.21 . 1 . . . . A 16 LEU N . 34872 1 37 . 1 . 1 55 55 PRO CA C 13 60.813 0.00 . 1 . . . . A 55 PRO CA . 34872 1 38 . 1 . 1 55 55 PRO CB C 13 33.225 0.00 . 1 . . . . A 55 PRO CB . 34872 1 39 . 1 . 1 56 56 ARG H H 1 9.091 0.03 . 1 . . . . A 56 ARG H . 34872 1 40 . 1 . 1 56 56 ARG C C 13 173.351 0.01 . 1 . . . . A 56 ARG C . 34872 1 41 . 1 . 1 56 56 ARG CA C 13 54.761 0.00 . 1 . . . . A 56 ARG CA . 34872 1 42 . 1 . 1 56 56 ARG CB C 13 34.453 0.07 . 1 . . . . A 56 ARG CB . 34872 1 43 . 1 . 1 56 56 ARG N N 15 123.114 0.15 . 1 . . . . A 56 ARG N . 34872 1 44 . 1 . 1 57 57 VAL H H 1 8.984 0.05 . 1 . . . . A 57 VAL H . 34872 1 45 . 1 . 1 57 57 VAL C C 13 173.810 0.00 . 1 . . . . A 57 VAL C . 34872 1 46 . 1 . 1 57 57 VAL CA C 13 59.971 0.03 . 1 . . . . A 57 VAL CA . 34872 1 47 . 1 . 1 57 57 VAL CB C 13 34.070 0.00 . 1 . . . . A 57 VAL CB . 34872 1 48 . 1 . 1 57 57 VAL N N 15 127.006 0.09 . 1 . . . . A 57 VAL N . 34872 1 49 . 1 . 1 58 58 SER H H 1 9.205 0.04 . 1 . . . . A 58 SER H . 34872 1 50 . 1 . 1 58 58 SER C C 13 172.707 0.00 . 1 . . . . A 58 SER C . 34872 1 51 . 1 . 1 58 58 SER CA C 13 56.909 0.02 . 1 . . . . A 58 SER CA . 34872 1 52 . 1 . 1 58 58 SER CB C 13 65.929 0.08 . 1 . . . . A 58 SER CB . 34872 1 53 . 1 . 1 58 58 SER N N 15 116.951 0.10 . 1 . . . . A 58 SER N . 34872 1 54 . 1 . 1 59 59 VAL H H 1 8.804 0.04 . 1 . . . . A 59 VAL H . 34872 1 55 . 1 . 1 59 59 VAL C C 13 173.532 0.04 . 1 . . . . A 59 VAL C . 34872 1 56 . 1 . 1 59 59 VAL CA C 13 59.633 0.07 . 1 . . . . A 59 VAL CA . 34872 1 57 . 1 . 1 59 59 VAL CB C 13 33.999 0.08 . 1 . . . . A 59 VAL CB . 34872 1 58 . 1 . 1 59 59 VAL N N 15 120.088 1.50 . 1 . . . . A 59 VAL N . 34872 1 59 . 1 . 1 60 60 GLY H H 1 8.073 0.04 . 1 . . . . A 60 GLY H . 34872 1 60 . 1 . 1 60 60 GLY C C 13 170.593 0.20 . 1 . . . . A 60 GLY C . 34872 1 61 . 1 . 1 60 60 GLY CA C 13 45.157 0.05 . 1 . . . . A 60 GLY CA . 34872 1 62 . 1 . 1 60 60 GLY N N 15 111.236 0.08 . 1 . . . . A 60 GLY N . 34872 1 63 . 1 . 1 61 61 TYR H H 1 9.012 0.04 . 1 . . . . A 61 TYR H . 34872 1 64 . 1 . 1 61 61 TYR C C 13 172.375 0.03 . 1 . . . . A 61 TYR C . 34872 1 65 . 1 . 1 61 61 TYR CA C 13 57.806 0.04 . 1 . . . . A 61 TYR CA . 34872 1 66 . 1 . 1 61 61 TYR CB C 13 42.642 0.01 . 1 . . . . A 61 TYR CB . 34872 1 67 . 1 . 1 61 61 TYR N N 15 118.984 0.10 . 1 . . . . A 61 TYR N . 34872 1 68 . 1 . 1 62 62 ASP H H 1 7.982 0.06 . 1 . . . . A 62 ASP H . 34872 1 69 . 1 . 1 62 62 ASP C C 13 174.916 0.14 . 1 . . . . A 62 ASP C . 34872 1 70 . 1 . 1 62 62 ASP CA C 13 51.971 0.11 . 1 . . . . A 62 ASP CA . 34872 1 71 . 1 . 1 62 62 ASP CB C 13 41.953 0.02 . 1 . . . . A 62 ASP CB . 34872 1 72 . 1 . 1 62 62 ASP N N 15 126.984 0.05 . 1 . . . . A 62 ASP N . 34872 1 73 . 1 . 1 63 63 PHE H H 1 8.896 0.01 . 1 . . . . A 63 PHE H . 34872 1 74 . 1 . 1 63 63 PHE C C 13 176.020 0.02 . 1 . . . . A 63 PHE C . 34872 1 75 . 1 . 1 63 63 PHE CA C 13 59.123 0.00 . 1 . . . . A 63 PHE CA . 34872 1 76 . 1 . 1 63 63 PHE CB C 13 38.531 0.03 . 1 . . . . A 63 PHE CB . 34872 1 77 . 1 . 1 63 63 PHE N N 15 122.927 0.04 . 1 . . . . A 63 PHE N . 34872 1 78 . 1 . 1 64 64 GLY H H 1 9.581 0.01 . 1 . . . . A 64 GLY H . 34872 1 79 . 1 . 1 64 64 GLY C C 13 174.122 0.00 . 1 . . . . A 64 GLY C . 34872 1 80 . 1 . 1 64 64 GLY CA C 13 46.297 0.05 . 1 . . . . A 64 GLY CA . 34872 1 81 . 1 . 1 64 64 GLY N N 15 112.343 0.08 . 1 . . . . A 64 GLY N . 34872 1 82 . 1 . 1 67 67 ARG H H 1 9.869 0.05 . 1 . . . . A 67 ARG H . 34872 1 83 . 1 . 1 67 67 ARG C C 13 175.227 0.02 . 1 . . . . A 67 ARG C . 34872 1 84 . 1 . 1 67 67 ARG CA C 13 54.579 0.04 . 1 . . . . A 67 ARG CA . 34872 1 85 . 1 . 1 67 67 ARG CB C 13 35.243 0.03 . 1 . . . . A 67 ARG CB . 34872 1 86 . 1 . 1 67 67 ARG N N 15 118.775 0.10 . 1 . . . . A 67 ARG N . 34872 1 87 . 1 . 1 68 68 ILE H H 1 8.355 0.04 . 1 . . . . A 68 ILE H . 34872 1 88 . 1 . 1 68 68 ILE C C 13 174.600 0.03 . 1 . . . . A 68 ILE C . 34872 1 89 . 1 . 1 68 68 ILE CA C 13 58.279 0.08 . 1 . . . . A 68 ILE CA . 34872 1 90 . 1 . 1 68 68 ILE CB C 13 40.609 0.04 . 1 . . . . A 68 ILE CB . 34872 1 91 . 1 . 1 68 68 ILE N N 15 117.793 0.12 . 1 . . . . A 68 ILE N . 34872 1 92 . 1 . 1 69 69 ALA H H 1 8.537 0.03 . 1 . . . . A 69 ALA H . 34872 1 93 . 1 . 1 69 69 ALA C C 13 176.659 0.03 . 1 . . . . A 69 ALA C . 34872 1 94 . 1 . 1 69 69 ALA CA C 13 51.304 0.07 . 1 . . . . A 69 ALA CA . 34872 1 95 . 1 . 1 69 69 ALA CB C 13 22.322 0.03 . 1 . . . . A 69 ALA CB . 34872 1 96 . 1 . 1 69 69 ALA N N 15 123.596 0.03 . 1 . . . . A 69 ALA N . 34872 1 97 . 1 . 1 70 70 ALA H H 1 9.490 0.04 . 1 . . . . A 70 ALA H . 34872 1 98 . 1 . 1 70 70 ALA C C 13 175.601 0.01 . 1 . . . . A 70 ALA C . 34872 1 99 . 1 . 1 70 70 ALA CA C 13 49.661 0.07 . 1 . . . . A 70 ALA CA . 34872 1 100 . 1 . 1 70 70 ALA CB C 13 20.877 0.01 . 1 . . . . A 70 ALA CB . 34872 1 101 . 1 . 1 70 70 ALA N N 15 128.545 0.26 . 1 . . . . A 70 ALA N . 34872 1 102 . 1 . 1 71 71 ASP H H 1 9.344 0.04 . 1 . . . . A 71 ASP H . 34872 1 103 . 1 . 1 71 71 ASP C C 13 174.116 0.93 . 1 . . . . A 71 ASP C . 34872 1 104 . 1 . 1 71 71 ASP CA C 13 52.108 0.06 . 1 . . . . A 71 ASP CA . 34872 1 105 . 1 . 1 71 71 ASP CB C 13 45.880 0.15 . 1 . . . . A 71 ASP CB . 34872 1 106 . 1 . 1 71 71 ASP N N 15 117.879 0.06 . 1 . . . . A 71 ASP N . 34872 1 107 . 1 . 1 72 72 TYR H H 1 9.145 0.03 . 1 . . . . A 72 TYR H . 34872 1 108 . 1 . 1 72 72 TYR C C 13 173.279 0.00 . 1 . . . . A 72 TYR C . 34872 1 109 . 1 . 1 72 72 TYR CA C 13 57.110 0.11 . 1 . . . . A 72 TYR CA . 34872 1 110 . 1 . 1 72 72 TYR CB C 13 43.010 0.00 . 1 . . . . A 72 TYR CB . 34872 1 111 . 1 . 1 72 72 TYR N N 15 117.849 0.07 . 1 . . . . A 72 TYR N . 34872 1 112 . 1 . 1 73 73 ALA H H 1 6.945 0.04 . 1 . . . . A 73 ALA H . 34872 1 113 . 1 . 1 73 73 ALA C C 13 174.304 0.00 . 1 . . . . A 73 ALA C . 34872 1 114 . 1 . 1 73 73 ALA CA C 13 51.484 0.02 . 1 . . . . A 73 ALA CA . 34872 1 115 . 1 . 1 73 73 ALA CB C 13 23.045 0.00 . 1 . . . . A 73 ALA CB . 34872 1 116 . 1 . 1 73 73 ALA N N 15 125.061 0.07 . 1 . . . . A 73 ALA N . 34872 1 117 . 1 . 1 116 116 SER H H 1 8.257 0.05 . 1 . . . . A 116 SER H . 34872 1 118 . 1 . 1 116 116 SER C C 13 172.754 0.07 . 1 . . . . A 116 SER C . 34872 1 119 . 1 . 1 116 116 SER CA C 13 57.441 0.01 . 1 . . . . A 116 SER CA . 34872 1 120 . 1 . 1 116 116 SER CB C 13 65.587 0.05 . 1 . . . . A 116 SER CB . 34872 1 121 . 1 . 1 116 116 SER N N 15 111.266 0.16 . 1 . . . . A 116 SER N . 34872 1 122 . 1 . 1 117 117 SER H H 1 8.162 0.04 . 1 . . . . A 117 SER H . 34872 1 123 . 1 . 1 117 117 SER C C 13 172.569 0.09 . 1 . . . . A 117 SER C . 34872 1 124 . 1 . 1 117 117 SER CA C 13 57.624 0.10 . 1 . . . . A 117 SER CA . 34872 1 125 . 1 . 1 117 117 SER CB C 13 64.367 0.07 . 1 . . . . A 117 SER CB . 34872 1 126 . 1 . 1 117 117 SER N N 15 110.976 0.17 . 1 . . . . A 117 SER N . 34872 1 127 . 1 . 1 118 118 LEU H H 1 8.396 0.06 . 1 . . . . A 118 LEU H . 34872 1 128 . 1 . 1 118 118 LEU C C 13 174.982 0.14 . 1 . . . . A 118 LEU C . 34872 1 129 . 1 . 1 118 118 LEU CA C 13 53.664 0.01 . 1 . . . . A 118 LEU CA . 34872 1 130 . 1 . 1 118 118 LEU CB C 13 44.589 0.00 . 1 . . . . A 118 LEU CB . 34872 1 131 . 1 . 1 118 118 LEU N N 15 133.005 0.13 . 1 . . . . A 118 LEU N . 34872 1 132 . 1 . 1 119 119 GLY H H 1 9.299 0.03 . 1 . . . . A 119 GLY H . 34872 1 133 . 1 . 1 119 119 GLY C C 13 171.434 0.00 . 1 . . . . A 119 GLY C . 34872 1 134 . 1 . 1 119 119 GLY CA C 13 43.958 0.01 . 1 . . . . A 119 GLY CA . 34872 1 135 . 1 . 1 119 119 GLY N N 15 113.873 0.11 . 1 . . . . A 119 GLY N . 34872 1 136 . 1 . 1 120 120 LEU H H 1 9.114 0.03 . 1 . . . . A 120 LEU H . 34872 1 137 . 1 . 1 120 120 LEU C C 13 174.803 0.00 . 1 . . . . A 120 LEU C . 34872 1 138 . 1 . 1 120 120 LEU CA C 13 53.617 0.08 . 1 . . . . A 120 LEU CA . 34872 1 139 . 1 . 1 120 120 LEU CB C 13 45.632 0.11 . 1 . . . . A 120 LEU CB . 34872 1 140 . 1 . 1 120 120 LEU N N 15 119.458 0.08 . 1 . . . . A 120 LEU N . 34872 1 141 . 1 . 1 121 121 SER H H 1 9.088 0.02 . 1 . . . . A 121 SER H . 34872 1 142 . 1 . 1 121 121 SER C C 13 172.674 0.02 . 1 . . . . A 121 SER C . 34872 1 143 . 1 . 1 121 121 SER CA C 13 57.026 0.03 . 1 . . . . A 121 SER CA . 34872 1 144 . 1 . 1 121 121 SER CB C 13 65.369 0.04 . 1 . . . . A 121 SER CB . 34872 1 145 . 1 . 1 121 121 SER N N 15 117.914 0.08 . 1 . . . . A 121 SER N . 34872 1 146 . 1 . 1 122 122 ALA H H 1 8.620 0.04 . 1 . . . . A 122 ALA H . 34872 1 147 . 1 . 1 122 122 ALA C C 13 175.626 0.01 . 1 . . . . A 122 ALA C . 34872 1 148 . 1 . 1 122 122 ALA CA C 13 50.683 0.07 . 1 . . . . A 122 ALA CA . 34872 1 149 . 1 . 1 122 122 ALA CB C 13 20.704 0.02 . 1 . . . . A 122 ALA CB . 34872 1 150 . 1 . 1 122 122 ALA N N 15 124.718 0.09 . 1 . . . . A 122 ALA N . 34872 1 151 . 1 . 1 123 123 ILE H H 1 9.434 0.04 . 1 . . . . A 123 ILE H . 34872 1 152 . 1 . 1 123 123 ILE C C 13 173.459 0.02 . 1 . . . . A 123 ILE C . 34872 1 153 . 1 . 1 123 123 ILE CA C 13 60.739 0.06 . 1 . . . . A 123 ILE CA . 34872 1 154 . 1 . 1 123 123 ILE CB C 13 42.399 0.00 . 1 . . . . A 123 ILE CB . 34872 1 155 . 1 . 1 123 123 ILE N N 15 121.964 0.11 . 1 . . . . A 123 ILE N . 34872 1 156 . 1 . 1 124 124 TYR H H 1 9.474 0.03 . 1 . . . . A 124 TYR H . 34872 1 157 . 1 . 1 124 124 TYR C C 13 173.229 0.09 . 1 . . . . A 124 TYR C . 34872 1 158 . 1 . 1 124 124 TYR CA C 13 57.479 0.11 . 1 . . . . A 124 TYR CA . 34872 1 159 . 1 . 1 124 124 TYR CB C 13 40.900 0.00 . 1 . . . . A 124 TYR CB . 34872 1 160 . 1 . 1 124 124 TYR N N 15 127.886 0.07 . 1 . . . . A 124 TYR N . 34872 1 161 . 1 . 1 125 125 ASP H H 1 7.614 0.05 . 1 . . . . A 125 ASP H . 34872 1 162 . 1 . 1 125 125 ASP C C 13 174.556 0.00 . 1 . . . . A 125 ASP C . 34872 1 163 . 1 . 1 125 125 ASP CA C 13 53.027 0.00 . 1 . . . . A 125 ASP CA . 34872 1 164 . 1 . 1 125 125 ASP CB C 13 42.572 0.09 . 1 . . . . A 125 ASP CB . 34872 1 165 . 1 . 1 125 125 ASP N N 15 125.448 0.11 . 1 . . . . A 125 ASP N . 34872 1 166 . 1 . 1 126 126 PHE H H 1 9.149 0.03 . 1 . . . . A 126 PHE H . 34872 1 167 . 1 . 1 126 126 PHE CA C 13 57.637 0.00 . 1 . . . . A 126 PHE CA . 34872 1 168 . 1 . 1 126 126 PHE CB C 13 38.981 0.00 . 1 . . . . A 126 PHE CB . 34872 1 169 . 1 . 1 126 126 PHE N N 15 121.354 0.12 . 1 . . . . A 126 PHE N . 34872 1 170 . 1 . 1 133 133 LYS H H 1 8.621 0.02 . 1 . . . . A 133 LYS H . 34872 1 171 . 1 . 1 133 133 LYS CA C 13 54.366 0.00 . 1 . . . . A 133 LYS CA . 34872 1 172 . 1 . 1 133 133 LYS CB C 13 34.112 0.00 . 1 . . . . A 133 LYS CB . 34872 1 173 . 1 . 1 133 133 LYS N N 15 122.684 0.13 . 1 . . . . A 133 LYS N . 34872 1 174 . 1 . 1 134 134 PRO C C 13 173.144 0.00 . 1 . . . . A 134 PRO C . 34872 1 175 . 1 . 1 134 134 PRO CA C 13 62.209 0.04 . 1 . . . . A 134 PRO CA . 34872 1 176 . 1 . 1 134 134 PRO CB C 13 31.557 0.00 . 1 . . . . A 134 PRO CB . 34872 1 177 . 1 . 1 135 135 TYR H H 1 8.849 0.04 . 1 . . . . A 135 TYR H . 34872 1 178 . 1 . 1 135 135 TYR C C 13 173.505 0.05 . 1 . . . . A 135 TYR C . 34872 1 179 . 1 . 1 135 135 TYR CA C 13 56.110 0.05 . 1 . . . . A 135 TYR CA . 34872 1 180 . 1 . 1 135 135 TYR CB C 13 41.542 0.08 . 1 . . . . A 135 TYR CB . 34872 1 181 . 1 . 1 135 135 TYR N N 15 117.931 0.08 . 1 . . . . A 135 TYR N . 34872 1 182 . 1 . 1 136 136 ILE H H 1 8.697 0.02 . 1 . . . . A 136 ILE H . 34872 1 183 . 1 . 1 136 136 ILE C C 13 173.497 0.04 . 1 . . . . A 136 ILE C . 34872 1 184 . 1 . 1 136 136 ILE CA C 13 58.519 0.05 . 1 . . . . A 136 ILE CA . 34872 1 185 . 1 . 1 136 136 ILE CB C 13 42.388 0.02 . 1 . . . . A 136 ILE CB . 34872 1 186 . 1 . 1 136 136 ILE N N 15 114.458 0.11 . 1 . . . . A 136 ILE N . 34872 1 187 . 1 . 1 137 137 GLY H H 1 9.422 0.05 . 1 . . . . A 137 GLY H . 34872 1 188 . 1 . 1 137 137 GLY C C 13 171.086 0.05 . 1 . . . . A 137 GLY C . 34872 1 189 . 1 . 1 137 137 GLY CA C 13 46.863 0.04 . 1 . . . . A 137 GLY CA . 34872 1 190 . 1 . 1 137 137 GLY N N 15 110.776 0.16 . 1 . . . . A 137 GLY N . 34872 1 191 . 1 . 1 138 138 ALA H H 1 8.748 0.05 . 1 . . . . A 138 ALA H . 34872 1 192 . 1 . 1 138 138 ALA C C 13 174.681 0.04 . 1 . . . . A 138 ALA C . 34872 1 193 . 1 . 1 138 138 ALA CA C 13 49.955 0.02 . 1 . . . . A 138 ALA CA . 34872 1 194 . 1 . 1 138 138 ALA CB C 13 22.301 0.03 . 1 . . . . A 138 ALA CB . 34872 1 195 . 1 . 1 138 138 ALA N N 15 120.412 0.15 . 1 . . . . A 138 ALA N . 34872 1 196 . 1 . 1 139 139 ARG H H 1 8.261 0.04 . 1 . . . . A 139 ARG H . 34872 1 197 . 1 . 1 139 139 ARG C C 13 173.805 0.00 . 1 . . . . A 139 ARG C . 34872 1 198 . 1 . 1 139 139 ARG CA C 13 54.494 0.03 . 1 . . . . A 139 ARG CA . 34872 1 199 . 1 . 1 139 139 ARG CB C 13 32.974 0.09 . 1 . . . . A 139 ARG CB . 34872 1 200 . 1 . 1 139 139 ARG N N 15 121.294 0.07 . 1 . . . . A 139 ARG N . 34872 1 201 . 1 . 1 140 140 VAL H H 1 9.098 0.04 . 1 . . . . A 140 VAL H . 34872 1 202 . 1 . 1 140 140 VAL C C 13 173.125 0.04 . 1 . . . . A 140 VAL C . 34872 1 203 . 1 . 1 140 140 VAL CA C 13 58.189 0.04 . 1 . . . . A 140 VAL CA . 34872 1 204 . 1 . 1 140 140 VAL CB C 13 33.894 0.00 . 1 . . . . A 140 VAL CB . 34872 1 205 . 1 . 1 140 140 VAL N N 15 124.524 0.07 . 1 . . . . A 140 VAL N . 34872 1 206 . 1 . 1 141 141 ALA H H 1 8.778 0.03 . 1 . . . . A 141 ALA H . 34872 1 207 . 1 . 1 141 141 ALA C C 13 176.291 0.02 . 1 . . . . A 141 ALA C . 34872 1 208 . 1 . 1 141 141 ALA CA C 13 50.864 0.03 . 1 . . . . A 141 ALA CA . 34872 1 209 . 1 . 1 141 141 ALA CB C 13 22.675 0.00 . 1 . . . . A 141 ALA CB . 34872 1 210 . 1 . 1 141 141 ALA N N 15 123.345 0.09 . 1 . . . . A 141 ALA N . 34872 1 211 . 1 . 1 142 142 TYR H H 1 9.758 0.04 . 1 . . . . A 142 TYR H . 34872 1 212 . 1 . 1 142 142 TYR C C 13 174.288 0.00 . 1 . . . . A 142 TYR C . 34872 1 213 . 1 . 1 142 142 TYR CA C 13 56.209 0.04 . 1 . . . . A 142 TYR CA . 34872 1 214 . 1 . 1 142 142 TYR CB C 13 39.288 0.04 . 1 . . . . A 142 TYR CB . 34872 1 215 . 1 . 1 142 142 TYR N N 15 127.527 0.15 . 1 . . . . A 142 TYR N . 34872 1 216 . 1 . 1 143 143 GLY H H 1 8.763 0.03 . 1 . . . . A 143 GLY H . 34872 1 217 . 1 . 1 143 143 GLY C C 13 170.683 0.06 . 1 . . . . A 143 GLY C . 34872 1 218 . 1 . 1 143 143 GLY CA C 13 45.047 0.03 . 1 . . . . A 143 GLY CA . 34872 1 219 . 1 . 1 143 143 GLY N N 15 116.721 0.11 . 1 . . . . A 143 GLY N . 34872 1 220 . 1 . 1 144 144 HIS H H 1 8.694 0.06 . 1 . . . . A 144 HIS H . 34872 1 221 . 1 . 1 144 144 HIS CA C 13 52.808 0.00 . 1 . . . . A 144 HIS CA . 34872 1 222 . 1 . 1 144 144 HIS CB C 13 32.019 0.00 . 1 . . . . A 144 HIS CB . 34872 1 223 . 1 . 1 144 144 HIS N N 15 122.863 0.15 . 1 . . . . A 144 HIS N . 34872 1 224 . 1 . 1 190 190 ARG H H 1 8.537 0.02 . 1 . . . . A 190 ARG H . 34872 1 225 . 1 . 1 190 190 ARG CA C 13 55.368 0.03 . 1 . . . . A 190 ARG CA . 34872 1 226 . 1 . 1 190 190 ARG CB C 13 34.541 0.02 . 1 . . . . A 190 ARG CB . 34872 1 227 . 1 . 1 190 190 ARG N N 15 119.781 0.19 . 1 . . . . A 190 ARG N . 34872 1 228 . 1 . 1 191 191 VAL H H 1 9.408 0.01 . 1 . . . . A 191 VAL H . 34872 1 229 . 1 . 1 191 191 VAL CA C 13 61.830 0.06 . 1 . . . . A 191 VAL CA . 34872 1 230 . 1 . 1 191 191 VAL CB C 13 31.565 0.01 . 1 . . . . A 191 VAL CB . 34872 1 231 . 1 . 1 191 191 VAL N N 15 126.497 0.03 . 1 . . . . A 191 VAL N . 34872 1 232 . 1 . 1 192 192 GLY H H 1 8.559 0.04 . 1 . . . . A 192 GLY H . 34872 1 233 . 1 . 1 192 192 GLY C C 13 171.772 0.00 . 1 . . . . A 192 GLY C . 34872 1 234 . 1 . 1 192 192 GLY CA C 13 44.152 0.05 . 1 . . . . A 192 GLY CA . 34872 1 235 . 1 . 1 192 192 GLY N N 15 112.746 0.10 . 1 . . . . A 192 GLY N . 34872 1 236 . 1 . 1 193 193 LEU H H 1 7.750 0.05 . 1 . . . . A 193 LEU H . 34872 1 237 . 1 . 1 193 193 LEU C C 13 174.985 0.00 . 1 . . . . A 193 LEU C . 34872 1 238 . 1 . 1 193 193 LEU CA C 13 53.473 0.05 . 1 . . . . A 193 LEU CA . 34872 1 239 . 1 . 1 193 193 LEU CB C 13 46.766 0.01 . 1 . . . . A 193 LEU CB . 34872 1 240 . 1 . 1 193 193 LEU N N 15 120.234 0.09 . 1 . . . . A 193 LEU N . 34872 1 241 . 1 . 1 194 194 GLY H H 1 9.122 0.04 . 1 . . . . A 194 GLY H . 34872 1 242 . 1 . 1 194 194 GLY C C 13 171.984 0.09 . 1 . . . . A 194 GLY C . 34872 1 243 . 1 . 1 194 194 GLY CA C 13 45.853 0.02 . 1 . . . . A 194 GLY CA . 34872 1 244 . 1 . 1 194 194 GLY N N 15 108.183 0.15 . 1 . . . . A 194 GLY N . 34872 1 245 . 1 . 1 195 195 VAL H H 1 8.588 0.04 . 1 . . . . A 195 VAL H . 34872 1 246 . 1 . 1 195 195 VAL C C 13 173.559 0.00 . 1 . . . . A 195 VAL C . 34872 1 247 . 1 . 1 195 195 VAL CA C 13 59.243 0.03 . 1 . . . . A 195 VAL CA . 34872 1 248 . 1 . 1 195 195 VAL CB C 13 35.828 0.01 . 1 . . . . A 195 VAL CB . 34872 1 249 . 1 . 1 195 195 VAL N N 15 113.882 0.11 . 1 . . . . A 195 VAL N . 34872 1 250 . 1 . 1 196 196 ILE H H 1 8.537 0.04 . 1 . . . . A 196 ILE H . 34872 1 251 . 1 . 1 196 196 ILE C C 13 173.611 0.01 . 1 . . . . A 196 ILE C . 34872 1 252 . 1 . 1 196 196 ILE CA C 13 58.125 0.07 . 1 . . . . A 196 ILE CA . 34872 1 253 . 1 . 1 196 196 ILE CB C 13 40.414 0.01 . 1 . . . . A 196 ILE CB . 34872 1 254 . 1 . 1 196 196 ILE N N 15 118.228 0.11 . 1 . . . . A 196 ILE N . 34872 1 255 . 1 . 1 197 197 ALA H H 1 9.250 0.05 . 1 . . . . A 197 ALA H . 34872 1 256 . 1 . 1 197 197 ALA C C 13 175.041 0.01 . 1 . . . . A 197 ALA C . 34872 1 257 . 1 . 1 197 197 ALA CA C 13 51.241 0.04 . 1 . . . . A 197 ALA CA . 34872 1 258 . 1 . 1 197 197 ALA CB C 13 22.579 0.07 . 1 . . . . A 197 ALA CB . 34872 1 259 . 1 . 1 197 197 ALA N N 15 122.912 0.13 . 1 . . . . A 197 ALA N . 34872 1 260 . 1 . 1 198 198 GLY H H 1 7.481 0.03 . 1 . . . . A 198 GLY H . 34872 1 261 . 1 . 1 198 198 GLY C C 13 171.435 0.06 . 1 . . . . A 198 GLY C . 34872 1 262 . 1 . 1 198 198 GLY CA C 13 46.487 0.02 . 1 . . . . A 198 GLY CA . 34872 1 263 . 1 . 1 198 198 GLY N N 15 105.870 0.16 . 1 . . . . A 198 GLY N . 34872 1 264 . 1 . 1 199 199 VAL H H 1 9.334 0.04 . 1 . . . . A 199 VAL H . 34872 1 265 . 1 . 1 199 199 VAL C C 13 173.040 0.07 . 1 . . . . A 199 VAL C . 34872 1 266 . 1 . 1 199 199 VAL CA C 13 60.415 0.04 . 1 . . . . A 199 VAL CA . 34872 1 267 . 1 . 1 199 199 VAL CB C 13 35.034 0.04 . 1 . . . . A 199 VAL CB . 34872 1 268 . 1 . 1 199 199 VAL N N 15 115.019 0.18 . 1 . . . . A 199 VAL N . 34872 1 269 . 1 . 1 200 200 GLY H H 1 7.751 0.04 . 1 . . . . A 200 GLY H . 34872 1 270 . 1 . 1 200 200 GLY C C 13 172.531 0.00 . 1 . . . . A 200 GLY C . 34872 1 271 . 1 . 1 200 200 GLY CA C 13 43.381 0.02 . 1 . . . . A 200 GLY CA . 34872 1 272 . 1 . 1 200 200 GLY N N 15 110.745 0.05 . 1 . . . . A 200 GLY N . 34872 1 273 . 1 . 1 201 201 PHE H H 1 9.381 0.03 . 1 . . . . A 201 PHE H . 34872 1 274 . 1 . 1 201 201 PHE C C 13 174.543 0.00 . 1 . . . . A 201 PHE C . 34872 1 275 . 1 . 1 201 201 PHE CA C 13 55.164 0.00 . 1 . . . . A 201 PHE CA . 34872 1 276 . 1 . 1 201 201 PHE CB C 13 41.638 0.01 . 1 . . . . A 201 PHE CB . 34872 1 277 . 1 . 1 201 201 PHE N N 15 122.861 0.23 . 1 . . . . A 201 PHE N . 34872 1 278 . 1 . 1 205 205 PRO C C 13 177.009 0.03 . 1 . . . . A 205 PRO C . 34872 1 279 . 1 . 1 205 205 PRO CA C 13 64.683 0.00 . 1 . . . . A 205 PRO CA . 34872 1 280 . 1 . 1 205 205 PRO CB C 13 31.540 0.00 . 1 . . . . A 205 PRO CB . 34872 1 281 . 1 . 1 206 206 LYS H H 1 7.783 0.04 . 1 . . . . A 206 LYS H . 34872 1 282 . 1 . 1 206 206 LYS C C 13 174.554 0.00 . 1 . . . . A 206 LYS C . 34872 1 283 . 1 . 1 206 206 LYS CA C 13 55.845 0.00 . 1 . . . . A 206 LYS CA . 34872 1 284 . 1 . 1 206 206 LYS CB C 13 33.961 0.09 . 1 . . . . A 206 LYS CB . 34872 1 285 . 1 . 1 206 206 LYS N N 15 111.723 0.15 . 1 . . . . A 206 LYS N . 34872 1 286 . 1 . 1 207 207 LEU H H 1 7.524 0.06 . 1 . . . . A 207 LEU H . 34872 1 287 . 1 . 1 207 207 LEU C C 13 175.468 0.01 . 1 . . . . A 207 LEU C . 34872 1 288 . 1 . 1 207 207 LEU CA C 13 53.767 0.05 . 1 . . . . A 207 LEU CA . 34872 1 289 . 1 . 1 207 207 LEU CB C 13 45.252 0.19 . 1 . . . . A 207 LEU CB . 34872 1 290 . 1 . 1 207 207 LEU N N 15 121.020 0.10 . 1 . . . . A 207 LEU N . 34872 1 291 . 1 . 1 208 208 THR H H 1 9.059 0.02 . 1 . . . . A 208 THR H . 34872 1 292 . 1 . 1 208 208 THR C C 13 173.629 0.04 . 1 . . . . A 208 THR C . 34872 1 293 . 1 . 1 208 208 THR CA C 13 61.499 0.01 . 1 . . . . A 208 THR CA . 34872 1 294 . 1 . 1 208 208 THR CB C 13 72.390 0.01 . 1 . . . . A 208 THR CB . 34872 1 295 . 1 . 1 208 208 THR N N 15 122.411 0.13 . 1 . . . . A 208 THR N . 34872 1 296 . 1 . 1 209 209 LEU H H 1 9.341 0.05 . 1 . . . . A 209 LEU H . 34872 1 297 . 1 . 1 209 209 LEU C C 13 174.293 0.03 . 1 . . . . A 209 LEU C . 34872 1 298 . 1 . 1 209 209 LEU CA C 13 53.914 0.04 . 1 . . . . A 209 LEU CA . 34872 1 299 . 1 . 1 209 209 LEU CB C 13 43.224 0.01 . 1 . . . . A 209 LEU CB . 34872 1 300 . 1 . 1 209 209 LEU N N 15 128.108 0.13 . 1 . . . . A 209 LEU N . 34872 1 301 . 1 . 1 210 210 ASP H H 1 9.108 0.06 . 1 . . . . A 210 ASP H . 34872 1 302 . 1 . 1 210 210 ASP C C 13 175.301 0.05 . 1 . . . . A 210 ASP C . 34872 1 303 . 1 . 1 210 210 ASP CA C 13 52.702 0.05 . 1 . . . . A 210 ASP CA . 34872 1 304 . 1 . 1 210 210 ASP CB C 13 44.872 0.01 . 1 . . . . A 210 ASP CB . 34872 1 305 . 1 . 1 210 210 ASP N N 15 126.878 0.30 . 1 . . . . A 210 ASP N . 34872 1 306 . 1 . 1 211 211 ALA H H 1 8.993 0.05 . 1 . . . . A 211 ALA H . 34872 1 307 . 1 . 1 211 211 ALA C C 13 175.142 0.07 . 1 . . . . A 211 ALA C . 34872 1 308 . 1 . 1 211 211 ALA CA C 13 50.177 0.04 . 1 . . . . A 211 ALA CA . 34872 1 309 . 1 . 1 211 211 ALA CB C 13 20.357 0.12 . 1 . . . . A 211 ALA CB . 34872 1 310 . 1 . 1 211 211 ALA N N 15 131.956 0.11 . 1 . . . . A 211 ALA N . 34872 1 311 . 1 . 1 212 212 GLY H H 1 8.917 0.05 . 1 . . . . A 212 GLY H . 34872 1 312 . 1 . 1 212 212 GLY C C 13 171.138 0.06 . 1 . . . . A 212 GLY C . 34872 1 313 . 1 . 1 212 212 GLY CA C 13 45.610 0.05 . 1 . . . . A 212 GLY CA . 34872 1 314 . 1 . 1 212 212 GLY N N 15 107.178 0.09 . 1 . . . . A 212 GLY N . 34872 1 315 . 1 . 1 213 213 TYR H H 1 9.609 0.04 . 1 . . . . A 213 TYR H . 34872 1 316 . 1 . 1 213 213 TYR C C 13 174.616 0.02 . 1 . . . . A 213 TYR C . 34872 1 317 . 1 . 1 213 213 TYR CA C 13 55.477 0.04 . 1 . . . . A 213 TYR CA . 34872 1 318 . 1 . 1 213 213 TYR CB C 13 42.714 0.03 . 1 . . . . A 213 TYR CB . 34872 1 319 . 1 . 1 213 213 TYR N N 15 120.353 0.06 . 1 . . . . A 213 TYR N . 34872 1 320 . 1 . 1 214 214 ARG H H 1 8.349 0.04 . 1 . . . . A 214 ARG H . 34872 1 321 . 1 . 1 214 214 ARG C C 13 173.111 0.01 . 1 . . . . A 214 ARG C . 34872 1 322 . 1 . 1 214 214 ARG CA C 13 54.877 0.09 . 1 . . . . A 214 ARG CA . 34872 1 323 . 1 . 1 214 214 ARG CB C 13 33.992 0.18 . 1 . . . . A 214 ARG CB . 34872 1 324 . 1 . 1 214 214 ARG N N 15 124.580 0.15 . 1 . . . . A 214 ARG N . 34872 1 325 . 1 . 1 215 215 TYR H H 1 8.812 0.03 . 1 . . . . A 215 TYR H . 34872 1 326 . 1 . 1 215 215 TYR C C 13 174.906 0.00 . 1 . . . . A 215 TYR C . 34872 1 327 . 1 . 1 215 215 TYR CA C 13 55.192 0.07 . 1 . . . . A 215 TYR CA . 34872 1 328 . 1 . 1 215 215 TYR CB C 13 39.910 0.00 . 1 . . . . A 215 TYR CB . 34872 1 329 . 1 . 1 215 215 TYR N N 15 126.246 0.12 . 1 . . . . A 215 TYR N . 34872 1 330 . 1 . 1 216 216 HIS H H 1 8.532 0.04 . 1 . . . . A 216 HIS H . 34872 1 331 . 1 . 1 216 216 HIS C C 13 172.738 0.02 . 1 . . . . A 216 HIS C . 34872 1 332 . 1 . 1 216 216 HIS CA C 13 56.960 0.09 . 1 . . . . A 216 HIS CA . 34872 1 333 . 1 . 1 216 216 HIS CB C 13 34.933 0.07 . 1 . . . . A 216 HIS CB . 34872 1 334 . 1 . 1 216 216 HIS N N 15 128.030 0.14 . 1 . . . . A 216 HIS N . 34872 1 335 . 1 . 1 217 217 ASN H H 1 7.797 0.06 . 1 . . . . A 217 ASN H . 34872 1 336 . 1 . 1 217 217 ASN C C 13 175.121 0.03 . 1 . . . . A 217 ASN C . 34872 1 337 . 1 . 1 217 217 ASN CA C 13 51.517 0.04 . 1 . . . . A 217 ASN CA . 34872 1 338 . 1 . 1 217 217 ASN CB C 13 37.792 0.04 . 1 . . . . A 217 ASN CB . 34872 1 339 . 1 . 1 217 217 ASN N N 15 126.651 0.14 . 1 . . . . A 217 ASN N . 34872 1 340 . 1 . 1 218 218 TRP H H 1 9.261 0.03 . 1 . . . . A 218 TRP H . 34872 1 341 . 1 . 1 218 218 TRP CA C 13 58.927 0.00 . 1 . . . . A 218 TRP CA . 34872 1 342 . 1 . 1 218 218 TRP CB C 13 26.956 0.08 . 1 . . . . A 218 TRP CB . 34872 1 343 . 1 . 1 218 218 TRP N N 15 123.598 0.11 . 1 . . . . A 218 TRP N . 34872 1 344 . 1 . 1 219 219 GLY H H 1 8.087 0.03 . 1 . . . . A 219 GLY H . 34872 1 345 . 1 . 1 219 219 GLY CA C 13 43.728 0.05 . 1 . . . . A 219 GLY CA . 34872 1 346 . 1 . 1 219 219 GLY N N 15 104.488 0.16 . 1 . . . . A 219 GLY N . 34872 1 347 . 1 . 1 226 226 PHE H H 1 9.382 0.01 . 1 . . . . A 226 PHE H . 34872 1 348 . 1 . 1 226 226 PHE CA C 13 56.834 0.07 . 1 . . . . A 226 PHE CA . 34872 1 349 . 1 . 1 226 226 PHE CB C 13 42.213 0.03 . 1 . . . . A 226 PHE CB . 34872 1 350 . 1 . 1 226 226 PHE N N 15 122.762 0.04 . 1 . . . . A 226 PHE N . 34872 1 351 . 1 . 1 227 227 LYS H H 1 8.480 0.03 . 1 . . . . A 227 LYS H . 34872 1 352 . 1 . 1 227 227 LYS C C 13 175.565 0.03 . 1 . . . . A 227 LYS C . 34872 1 353 . 1 . 1 227 227 LYS CA C 13 54.185 0.04 . 1 . . . . A 227 LYS CA . 34872 1 354 . 1 . 1 227 227 LYS CB C 13 36.249 0.02 . 1 . . . . A 227 LYS CB . 34872 1 355 . 1 . 1 227 227 LYS N N 15 126.588 0.10 . 1 . . . . A 227 LYS N . 34872 1 356 . 1 . 1 228 228 THR H H 1 8.932 0.04 . 1 . . . . A 228 THR H . 34872 1 357 . 1 . 1 228 228 THR C C 13 173.286 0.02 . 1 . . . . A 228 THR C . 34872 1 358 . 1 . 1 228 228 THR CA C 13 59.037 0.10 . 1 . . . . A 228 THR CA . 34872 1 359 . 1 . 1 228 228 THR CB C 13 72.074 0.01 . 1 . . . . A 228 THR CB . 34872 1 360 . 1 . 1 228 228 THR N N 15 106.475 0.17 . 1 . . . . A 228 THR N . 34872 1 361 . 1 . 1 229 229 HIS H H 1 8.520 0.03 . 1 . . . . A 229 HIS H . 34872 1 362 . 1 . 1 229 229 HIS C C 13 176.031 0.04 . 1 . . . . A 229 HIS C . 34872 1 363 . 1 . 1 229 229 HIS CA C 13 55.325 0.03 . 1 . . . . A 229 HIS CA . 34872 1 364 . 1 . 1 229 229 HIS CB C 13 34.916 0.05 . 1 . . . . A 229 HIS CB . 34872 1 365 . 1 . 1 229 229 HIS N N 15 119.137 0.26 . 1 . . . . A 229 HIS N . 34872 1 366 . 1 . 1 230 230 GLU H H 1 9.548 0.05 . 1 . . . . A 230 GLU H . 34872 1 367 . 1 . 1 230 230 GLU C C 13 175.430 0.00 . 1 . . . . A 230 GLU C . 34872 1 368 . 1 . 1 230 230 GLU CA C 13 53.811 0.01 . 1 . . . . A 230 GLU CA . 34872 1 369 . 1 . 1 230 230 GLU CB C 13 31.708 0.00 . 1 . . . . A 230 GLU CB . 34872 1 370 . 1 . 1 230 230 GLU N N 15 120.631 0.07 . 1 . . . . A 230 GLU N . 34872 1 371 . 1 . 1 231 231 ALA C C 13 175.919 0.09 . 1 . . . . A 231 ALA C . 34872 1 372 . 1 . 1 231 231 ALA CA C 13 49.576 0.01 . 1 . . . . A 231 ALA CA . 34872 1 373 . 1 . 1 231 231 ALA CB C 13 22.279 0.00 . 1 . . . . A 231 ALA CB . 34872 1 374 . 1 . 1 231 231 ALA N N 15 123.041 0.00 . 1 . . . . A 231 ALA N . 34872 1 375 . 1 . 1 232 232 SER H H 1 9.594 0.04 . 1 . . . . A 232 SER H . 34872 1 376 . 1 . 1 232 232 SER C C 13 172.136 0.06 . 1 . . . . A 232 SER C . 34872 1 377 . 1 . 1 232 232 SER CA C 13 56.792 0.05 . 1 . . . . A 232 SER CA . 34872 1 378 . 1 . 1 232 232 SER CB C 13 66.303 0.01 . 1 . . . . A 232 SER CB . 34872 1 379 . 1 . 1 232 232 SER N N 15 112.786 0.16 . 1 . . . . A 232 SER N . 34872 1 380 . 1 . 1 233 233 LEU H H 1 8.239 0.04 . 1 . . . . A 233 LEU H . 34872 1 381 . 1 . 1 233 233 LEU C C 13 175.319 0.03 . 1 . . . . A 233 LEU C . 34872 1 382 . 1 . 1 233 233 LEU CA C 13 53.307 0.05 . 1 . . . . A 233 LEU CA . 34872 1 383 . 1 . 1 233 233 LEU CB C 13 45.858 0.01 . 1 . . . . A 233 LEU CB . 34872 1 384 . 1 . 1 233 233 LEU N N 15 120.579 0.35 . 1 . . . . A 233 LEU N . 34872 1 385 . 1 . 1 234 234 GLY H H 1 9.182 0.06 . 1 . . . . A 234 GLY H . 34872 1 386 . 1 . 1 234 234 GLY C C 13 172.590 0.02 . 1 . . . . A 234 GLY C . 34872 1 387 . 1 . 1 234 234 GLY CA C 13 46.015 0.04 . 1 . . . . A 234 GLY CA . 34872 1 388 . 1 . 1 234 234 GLY N N 15 111.846 0.07 . 1 . . . . A 234 GLY N . 34872 1 389 . 1 . 1 235 235 VAL H H 1 8.553 0.03 . 1 . . . . A 235 VAL H . 34872 1 390 . 1 . 1 235 235 VAL C C 13 173.581 0.00 . 1 . . . . A 235 VAL C . 34872 1 391 . 1 . 1 235 235 VAL CA C 13 58.599 0.03 . 1 . . . . A 235 VAL CA . 34872 1 392 . 1 . 1 235 235 VAL CB C 13 34.802 0.04 . 1 . . . . A 235 VAL CB . 34872 1 393 . 1 . 1 235 235 VAL N N 15 113.352 0.11 . 1 . . . . A 235 VAL N . 34872 1 394 . 1 . 1 236 236 ARG H H 1 9.025 0.04 . 1 . . . . A 236 ARG H . 34872 1 395 . 1 . 1 236 236 ARG C C 13 175.357 0.00 . 1 . . . . A 236 ARG C . 34872 1 396 . 1 . 1 236 236 ARG CA C 13 52.502 0.23 . 1 . . . . A 236 ARG CA . 34872 1 397 . 1 . 1 236 236 ARG CB C 13 32.637 0.00 . 1 . . . . A 236 ARG CB . 34872 1 398 . 1 . 1 236 236 ARG N N 15 117.987 0.08 . 1 . . . . A 236 ARG N . 34872 1 399 . 1 . 1 237 237 TYR H H 1 9.465 0.02 . 1 . . . . A 237 TYR H . 34872 1 400 . 1 . 1 237 237 TYR CA C 13 52.593 0.04 . 1 . . . . A 237 TYR CA . 34872 1 401 . 1 . 1 237 237 TYR CB C 13 41.401 0.00 . 1 . . . . A 237 TYR CB . 34872 1 402 . 1 . 1 237 237 TYR N N 15 125.440 0.15 . 1 . . . . A 237 TYR N . 34872 1 403 . 1 . 1 238 238 ARG H H 1 9.439 0.01 . 1 . . . . A 238 ARG H . 34872 1 404 . 1 . 1 238 238 ARG CA C 13 55.960 0.00 . 1 . . . . A 238 ARG CA . 34872 1 405 . 1 . 1 238 238 ARG N N 15 124.783 0.02 . 1 . . . . A 238 ARG N . 34872 1 stop_ save_