data_30286 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30286 _Entry.Title ; Solution NMR structure of the membrane electron transporter CcdA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-24 _Entry.Accession_date 2017-04-24 _Entry.Last_release_date 2017-04-27 _Entry.Original_release_date 2017-04-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Zhou Y. . . . 30286 2 J. Bushweller J. H. . . 30286 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DsbD . 30286 'Membrane transporter' . 30286 Oxidoreductase . 30286 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30286 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 30286 '15N chemical shifts' 185 30286 '1H chemical shifts' 186 30286 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-15 2017-04-24 update BMRB 'update entry citation' 30286 1 . . 2018-01-25 2017-04-24 original author 'original release' 30286 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5VKV 'BMRB Entry Tracking System' 30286 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30286 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41594-018-0022-z _Citation.PubMed_ID 29379172 _Citation.Full_citation . _Citation.Title ; Solution structure and elevator mechanism of the membrane electron transporter CcdA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 25 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 163 _Citation.Page_last 169 _Citation.Year 2018 _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 Y. Zhou Y. . . . 30286 1 2 J. Bushweller J. H. . . 30286 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30286 _Assembly.ID 1 _Assembly.Name 'Cytochrome c-type biogenesis protein CcdA' _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 entity_1 1 $entity_1 A A yes . . . . . . 30286 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 127 127 SG . . . . . . . . . . . . 30286 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30286 _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 ; MSLSLTAAFLAGVLSFLSPC VLPLVPTYLFYLGGARGRPL FNALFFILGFGAVFFLLGLP FTLLGGLLFEHRQTLARVGG VVLVLFGLYMLGLRPRWGVS LRYEGETSRPLGAFLLGATL ALGWTPCIGPILGAILTLTA VGGGVGFLLAYILGLAVPFF VVALFADRIKGWLRRAGRIS HYVEVLAGVVLVLVGVLLFT GTFTALNTFFLRITPEWLQR YLPSHHHHHHHH ; _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 232 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation E35A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25292.143 _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 . 30286 1 2 . SER . 30286 1 3 . LEU . 30286 1 4 . SER . 30286 1 5 . LEU . 30286 1 6 . THR . 30286 1 7 . ALA . 30286 1 8 . ALA . 30286 1 9 . PHE . 30286 1 10 . LEU . 30286 1 11 . ALA . 30286 1 12 . GLY . 30286 1 13 . VAL . 30286 1 14 . LEU . 30286 1 15 . SER . 30286 1 16 . PHE . 30286 1 17 . LEU . 30286 1 18 . SER . 30286 1 19 . PRO . 30286 1 20 . CYS . 30286 1 21 . VAL . 30286 1 22 . LEU . 30286 1 23 . PRO . 30286 1 24 . LEU . 30286 1 25 . VAL . 30286 1 26 . PRO . 30286 1 27 . THR . 30286 1 28 . TYR . 30286 1 29 . LEU . 30286 1 30 . PHE . 30286 1 31 . TYR . 30286 1 32 . LEU . 30286 1 33 . GLY . 30286 1 34 . GLY . 30286 1 35 . ALA . 30286 1 36 . ARG . 30286 1 37 . GLY . 30286 1 38 . ARG . 30286 1 39 . PRO . 30286 1 40 . LEU . 30286 1 41 . PHE . 30286 1 42 . ASN . 30286 1 43 . ALA . 30286 1 44 . LEU . 30286 1 45 . PHE . 30286 1 46 . PHE . 30286 1 47 . ILE . 30286 1 48 . LEU . 30286 1 49 . GLY . 30286 1 50 . PHE . 30286 1 51 . GLY . 30286 1 52 . ALA . 30286 1 53 . VAL . 30286 1 54 . PHE . 30286 1 55 . PHE . 30286 1 56 . LEU . 30286 1 57 . LEU . 30286 1 58 . GLY . 30286 1 59 . LEU . 30286 1 60 . PRO . 30286 1 61 . PHE . 30286 1 62 . THR . 30286 1 63 . LEU . 30286 1 64 . LEU . 30286 1 65 . GLY . 30286 1 66 . GLY . 30286 1 67 . LEU . 30286 1 68 . LEU . 30286 1 69 . PHE . 30286 1 70 . GLU . 30286 1 71 . HIS . 30286 1 72 . ARG . 30286 1 73 . GLN . 30286 1 74 . THR . 30286 1 75 . LEU . 30286 1 76 . ALA . 30286 1 77 . ARG . 30286 1 78 . VAL . 30286 1 79 . GLY . 30286 1 80 . GLY . 30286 1 81 . VAL . 30286 1 82 . VAL . 30286 1 83 . LEU . 30286 1 84 . VAL . 30286 1 85 . LEU . 30286 1 86 . PHE . 30286 1 87 . GLY . 30286 1 88 . LEU . 30286 1 89 . TYR . 30286 1 90 . MET . 30286 1 91 . LEU . 30286 1 92 . GLY . 30286 1 93 . LEU . 30286 1 94 . ARG . 30286 1 95 . PRO . 30286 1 96 . ARG . 30286 1 97 . TRP . 30286 1 98 . GLY . 30286 1 99 . VAL . 30286 1 100 . SER . 30286 1 101 . LEU . 30286 1 102 . ARG . 30286 1 103 . TYR . 30286 1 104 . GLU . 30286 1 105 . GLY . 30286 1 106 . GLU . 30286 1 107 . THR . 30286 1 108 . SER . 30286 1 109 . ARG . 30286 1 110 . PRO . 30286 1 111 . LEU . 30286 1 112 . GLY . 30286 1 113 . ALA . 30286 1 114 . PHE . 30286 1 115 . LEU . 30286 1 116 . LEU . 30286 1 117 . GLY . 30286 1 118 . ALA . 30286 1 119 . THR . 30286 1 120 . LEU . 30286 1 121 . ALA . 30286 1 122 . LEU . 30286 1 123 . GLY . 30286 1 124 . TRP . 30286 1 125 . THR . 30286 1 126 . PRO . 30286 1 127 . CYS . 30286 1 128 . ILE . 30286 1 129 . GLY . 30286 1 130 . PRO . 30286 1 131 . ILE . 30286 1 132 . LEU . 30286 1 133 . GLY . 30286 1 134 . ALA . 30286 1 135 . ILE . 30286 1 136 . LEU . 30286 1 137 . THR . 30286 1 138 . LEU . 30286 1 139 . THR . 30286 1 140 . ALA . 30286 1 141 . VAL . 30286 1 142 . GLY . 30286 1 143 . GLY . 30286 1 144 . GLY . 30286 1 145 . VAL . 30286 1 146 . GLY . 30286 1 147 . PHE . 30286 1 148 . LEU . 30286 1 149 . LEU . 30286 1 150 . ALA . 30286 1 151 . TYR . 30286 1 152 . ILE . 30286 1 153 . LEU . 30286 1 154 . GLY . 30286 1 155 . LEU . 30286 1 156 . ALA . 30286 1 157 . VAL . 30286 1 158 . PRO . 30286 1 159 . PHE . 30286 1 160 . PHE . 30286 1 161 . VAL . 30286 1 162 . VAL . 30286 1 163 . ALA . 30286 1 164 . LEU . 30286 1 165 . PHE . 30286 1 166 . ALA . 30286 1 167 . ASP . 30286 1 168 . ARG . 30286 1 169 . ILE . 30286 1 170 . LYS . 30286 1 171 . GLY . 30286 1 172 . TRP . 30286 1 173 . LEU . 30286 1 174 . ARG . 30286 1 175 . ARG . 30286 1 176 . ALA . 30286 1 177 . GLY . 30286 1 178 . ARG . 30286 1 179 . ILE . 30286 1 180 . SER . 30286 1 181 . HIS . 30286 1 182 . TYR . 30286 1 183 . VAL . 30286 1 184 . GLU . 30286 1 185 . VAL . 30286 1 186 . LEU . 30286 1 187 . ALA . 30286 1 188 . GLY . 30286 1 189 . VAL . 30286 1 190 . VAL . 30286 1 191 . LEU . 30286 1 192 . VAL . 30286 1 193 . LEU . 30286 1 194 . VAL . 30286 1 195 . GLY . 30286 1 196 . VAL . 30286 1 197 . LEU . 30286 1 198 . LEU . 30286 1 199 . PHE . 30286 1 200 . THR . 30286 1 201 . GLY . 30286 1 202 . THR . 30286 1 203 . PHE . 30286 1 204 . THR . 30286 1 205 . ALA . 30286 1 206 . LEU . 30286 1 207 . ASN . 30286 1 208 . THR . 30286 1 209 . PHE . 30286 1 210 . PHE . 30286 1 211 . LEU . 30286 1 212 . ARG . 30286 1 213 . ILE . 30286 1 214 . THR . 30286 1 215 . PRO . 30286 1 216 . GLU . 30286 1 217 . TRP . 30286 1 218 . LEU . 30286 1 219 . GLN . 30286 1 220 . ARG . 30286 1 221 . TYR . 30286 1 222 . LEU . 30286 1 223 . PRO . 30286 1 224 . SER . 30286 1 225 . HIS . 30286 1 226 . HIS . 30286 1 227 . HIS . 30286 1 228 . HIS . 30286 1 229 . HIS . 30286 1 230 . HIS . 30286 1 231 . HIS . 30286 1 232 . HIS . 30286 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 30286 1 . SER 2 2 30286 1 . LEU 3 3 30286 1 . SER 4 4 30286 1 . LEU 5 5 30286 1 . THR 6 6 30286 1 . ALA 7 7 30286 1 . ALA 8 8 30286 1 . PHE 9 9 30286 1 . LEU 10 10 30286 1 . ALA 11 11 30286 1 . GLY 12 12 30286 1 . VAL 13 13 30286 1 . LEU 14 14 30286 1 . SER 15 15 30286 1 . PHE 16 16 30286 1 . LEU 17 17 30286 1 . SER 18 18 30286 1 . PRO 19 19 30286 1 . CYS 20 20 30286 1 . VAL 21 21 30286 1 . LEU 22 22 30286 1 . PRO 23 23 30286 1 . LEU 24 24 30286 1 . VAL 25 25 30286 1 . PRO 26 26 30286 1 . THR 27 27 30286 1 . TYR 28 28 30286 1 . LEU 29 29 30286 1 . PHE 30 30 30286 1 . TYR 31 31 30286 1 . LEU 32 32 30286 1 . GLY 33 33 30286 1 . GLY 34 34 30286 1 . ALA 35 35 30286 1 . ARG 36 36 30286 1 . GLY 37 37 30286 1 . ARG 38 38 30286 1 . PRO 39 39 30286 1 . LEU 40 40 30286 1 . PHE 41 41 30286 1 . ASN 42 42 30286 1 . ALA 43 43 30286 1 . LEU 44 44 30286 1 . PHE 45 45 30286 1 . PHE 46 46 30286 1 . ILE 47 47 30286 1 . LEU 48 48 30286 1 . GLY 49 49 30286 1 . PHE 50 50 30286 1 . GLY 51 51 30286 1 . ALA 52 52 30286 1 . VAL 53 53 30286 1 . PHE 54 54 30286 1 . PHE 55 55 30286 1 . LEU 56 56 30286 1 . LEU 57 57 30286 1 . GLY 58 58 30286 1 . LEU 59 59 30286 1 . PRO 60 60 30286 1 . PHE 61 61 30286 1 . THR 62 62 30286 1 . LEU 63 63 30286 1 . LEU 64 64 30286 1 . GLY 65 65 30286 1 . GLY 66 66 30286 1 . LEU 67 67 30286 1 . LEU 68 68 30286 1 . PHE 69 69 30286 1 . GLU 70 70 30286 1 . HIS 71 71 30286 1 . ARG 72 72 30286 1 . GLN 73 73 30286 1 . THR 74 74 30286 1 . LEU 75 75 30286 1 . ALA 76 76 30286 1 . ARG 77 77 30286 1 . VAL 78 78 30286 1 . GLY 79 79 30286 1 . GLY 80 80 30286 1 . VAL 81 81 30286 1 . VAL 82 82 30286 1 . LEU 83 83 30286 1 . VAL 84 84 30286 1 . LEU 85 85 30286 1 . PHE 86 86 30286 1 . GLY 87 87 30286 1 . LEU 88 88 30286 1 . TYR 89 89 30286 1 . MET 90 90 30286 1 . LEU 91 91 30286 1 . GLY 92 92 30286 1 . LEU 93 93 30286 1 . ARG 94 94 30286 1 . PRO 95 95 30286 1 . ARG 96 96 30286 1 . TRP 97 97 30286 1 . GLY 98 98 30286 1 . VAL 99 99 30286 1 . SER 100 100 30286 1 . LEU 101 101 30286 1 . ARG 102 102 30286 1 . TYR 103 103 30286 1 . GLU 104 104 30286 1 . GLY 105 105 30286 1 . GLU 106 106 30286 1 . THR 107 107 30286 1 . SER 108 108 30286 1 . ARG 109 109 30286 1 . PRO 110 110 30286 1 . LEU 111 111 30286 1 . GLY 112 112 30286 1 . ALA 113 113 30286 1 . PHE 114 114 30286 1 . LEU 115 115 30286 1 . LEU 116 116 30286 1 . GLY 117 117 30286 1 . ALA 118 118 30286 1 . THR 119 119 30286 1 . LEU 120 120 30286 1 . ALA 121 121 30286 1 . LEU 122 122 30286 1 . GLY 123 123 30286 1 . TRP 124 124 30286 1 . THR 125 125 30286 1 . PRO 126 126 30286 1 . CYS 127 127 30286 1 . ILE 128 128 30286 1 . GLY 129 129 30286 1 . PRO 130 130 30286 1 . ILE 131 131 30286 1 . LEU 132 132 30286 1 . GLY 133 133 30286 1 . ALA 134 134 30286 1 . ILE 135 135 30286 1 . LEU 136 136 30286 1 . THR 137 137 30286 1 . LEU 138 138 30286 1 . THR 139 139 30286 1 . ALA 140 140 30286 1 . VAL 141 141 30286 1 . GLY 142 142 30286 1 . GLY 143 143 30286 1 . GLY 144 144 30286 1 . VAL 145 145 30286 1 . GLY 146 146 30286 1 . PHE 147 147 30286 1 . LEU 148 148 30286 1 . LEU 149 149 30286 1 . ALA 150 150 30286 1 . TYR 151 151 30286 1 . ILE 152 152 30286 1 . LEU 153 153 30286 1 . GLY 154 154 30286 1 . LEU 155 155 30286 1 . ALA 156 156 30286 1 . VAL 157 157 30286 1 . PRO 158 158 30286 1 . PHE 159 159 30286 1 . PHE 160 160 30286 1 . VAL 161 161 30286 1 . VAL 162 162 30286 1 . ALA 163 163 30286 1 . LEU 164 164 30286 1 . PHE 165 165 30286 1 . ALA 166 166 30286 1 . ASP 167 167 30286 1 . ARG 168 168 30286 1 . ILE 169 169 30286 1 . LYS 170 170 30286 1 . GLY 171 171 30286 1 . TRP 172 172 30286 1 . LEU 173 173 30286 1 . ARG 174 174 30286 1 . ARG 175 175 30286 1 . ALA 176 176 30286 1 . GLY 177 177 30286 1 . ARG 178 178 30286 1 . ILE 179 179 30286 1 . SER 180 180 30286 1 . HIS 181 181 30286 1 . TYR 182 182 30286 1 . VAL 183 183 30286 1 . GLU 184 184 30286 1 . VAL 185 185 30286 1 . LEU 186 186 30286 1 . ALA 187 187 30286 1 . GLY 188 188 30286 1 . VAL 189 189 30286 1 . VAL 190 190 30286 1 . LEU 191 191 30286 1 . VAL 192 192 30286 1 . LEU 193 193 30286 1 . VAL 194 194 30286 1 . GLY 195 195 30286 1 . VAL 196 196 30286 1 . LEU 197 197 30286 1 . LEU 198 198 30286 1 . PHE 199 199 30286 1 . THR 200 200 30286 1 . GLY 201 201 30286 1 . THR 202 202 30286 1 . PHE 203 203 30286 1 . THR 204 204 30286 1 . ALA 205 205 30286 1 . LEU 206 206 30286 1 . ASN 207 207 30286 1 . THR 208 208 30286 1 . PHE 209 209 30286 1 . PHE 210 210 30286 1 . LEU 211 211 30286 1 . ARG 212 212 30286 1 . ILE 213 213 30286 1 . THR 214 214 30286 1 . PRO 215 215 30286 1 . GLU 216 216 30286 1 . TRP 217 217 30286 1 . LEU 218 218 30286 1 . GLN 219 219 30286 1 . ARG 220 220 30286 1 . TYR 221 221 30286 1 . LEU 222 222 30286 1 . PRO 223 223 30286 1 . SER 224 224 30286 1 . HIS 225 225 30286 1 . HIS 226 226 30286 1 . HIS 227 227 30286 1 . HIS 228 228 30286 1 . HIS 229 229 30286 1 . HIS 230 230 30286 1 . HIS 231 231 30286 1 . HIS 232 232 30286 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 30286 _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 . 300852 organism . 'Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus 'HB8 / ATCC 27634 / DSM 579' . . . . . . . . . . TTHA1409 . 30286 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 30286 _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 . . . . . . . . pET22b . . . 30286 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30286 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.37 mM [U-13C; U-15N; U-2H] CcdA, 25 mM sodium acetate, 25 mM potassium phosphate, 50 mM sodium chloride, 0.05 % sodium azide, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CcdA '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.37 . . mM . . . . 30286 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 1 3 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30286 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30286 1 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30286 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-15N; U-2H] CcdA, 25 mM sodium acetate, 25 mM potassium phosphate, 50 mM sodium chloride, 0.05 % sodium azide, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CcdA '[U-15N; U-2H]' . . 1 $entity_1 . . 0.7 . . mM . . . . 30286 2 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 2 3 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30286 2 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30286 2 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30286 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-15N; U-2H] CcdA, 25 mM sodium acetate, 25 mM potassium phosphate, 50 mM sodium chloride, 0.05 % sodium azide, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CcdA '[U-15N; U-2H]' . . 1 $entity_1 . . 0.7 . . mM . . . . 30286 3 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 3 3 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 3 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30286 3 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30286 3 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30286 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.2 mM [U-15N] CcdA single Cys mutants labeled with MTSL, 25 mM sodium acetate, 25 mM potassium phosphate, 50 mM sodium chloride, 0.05 % sodium azide, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CcdA single Cys mutants labeled with MTSL' [U-15N] . . 1 $entity_1 . . 0.2 . . mM . . . . 30286 4 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 4 3 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 30286 4 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 30286 4 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 30286 4 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 30286 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30286 1 pH 5.5 . pH 30286 1 pressure 1 . atm 30286 1 temperature 343 . K 30286 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30286 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30286 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30286 1 'peak picking' 30286 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30286 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30286 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30286 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30286 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, and Ad Bax' . . 30286 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30286 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30286 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30286 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30286 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30286 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.39 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30286 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30286 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30286 _Software.ID 6 _Software.Type . _Software.Name XPLOR-NIH _Software.Version 2.39 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30286 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30286 6 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 30286 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30286 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 30286 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 30286 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_4 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30286 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 30286 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 internal indirect 0.25144953 . . . . . 30286 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30286 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30286 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 30286 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . isotropic 30286 1 2 '3D HNCA' . . isotropic 30286 1 3 '3D HN(CO)CA' . . isotropic 30286 1 4 '3D HNCO' . . isotropic 30286 1 5 '3D HN(CA)CO' . . isotropic 30286 1 6 '3D HNCACB' . . isotropic 30286 1 7 '3D 1H-15N NOESY' . . isotropic 30286 1 8 '2D 1H-15N HSQC' . . isotropic 30286 1 9 '2D 1H-15N HSQC' . . isotropic 30286 1 10 '2D 1H-15N HSQC' . . isotropic 30286 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 LEU C C 13 178.0755 0.012 . 1 . . . . A 3 LEU C . 30286 1 2 . 1 1 3 3 LEU CA C 13 57.3567 0.012 . 1 . . . . A 3 LEU CA . 30286 1 3 . 1 1 4 4 SER H H 1 8.0567 0.007 . 1 . . . . A 4 SER H . 30286 1 4 . 1 1 4 4 SER C C 13 175.8908 0.012 . 1 . . . . A 4 SER C . 30286 1 5 . 1 1 4 4 SER CA C 13 61.0398 0.012 . 1 . . . . A 4 SER CA . 30286 1 6 . 1 1 4 4 SER N N 15 114.8515 0.086 . 1 . . . . A 4 SER N . 30286 1 7 . 1 1 5 5 LEU H H 1 7.8359 0.007 . 1 . . . . A 5 LEU H . 30286 1 8 . 1 1 5 5 LEU C C 13 178.8969 0.012 . 1 . . . . A 5 LEU C . 30286 1 9 . 1 1 5 5 LEU CA C 13 57.6922 0.012 . 1 . . . . A 5 LEU CA . 30286 1 10 . 1 1 5 5 LEU N N 15 121.4909 0.086 . 1 . . . . A 5 LEU N . 30286 1 11 . 1 1 6 6 THR H H 1 7.7679 0.007 . 1 . . . . A 6 THR H . 30286 1 12 . 1 1 6 6 THR C C 13 176.1707 0.012 . 1 . . . . A 6 THR C . 30286 1 13 . 1 1 6 6 THR CA C 13 67.1206 0.012 . 1 . . . . A 6 THR CA . 30286 1 14 . 1 1 6 6 THR N N 15 114.9943 0.086 . 1 . . . . A 6 THR N . 30286 1 15 . 1 1 7 7 ALA H H 1 8.1286 0.007 . 1 . . . . A 7 ALA H . 30286 1 16 . 1 1 7 7 ALA C C 13 178.3933 0.012 . 1 . . . . A 7 ALA C . 30286 1 17 . 1 1 7 7 ALA CA C 13 55.1229 0.012 . 1 . . . . A 7 ALA CA . 30286 1 18 . 1 1 7 7 ALA CB C 13 17.0440 0.012 . 1 . . . . A 7 ALA CB . 30286 1 19 . 1 1 7 7 ALA N N 15 123.1655 0.086 . 1 . . . . A 7 ALA N . 30286 1 20 . 1 1 8 8 ALA H H 1 7.5572 0.007 . 1 . . . . A 8 ALA H . 30286 1 21 . 1 1 8 8 ALA C C 13 178.7050 0.012 . 1 . . . . A 8 ALA C . 30286 1 22 . 1 1 8 8 ALA CA C 13 55.2792 0.012 . 1 . . . . A 8 ALA CA . 30286 1 23 . 1 1 8 8 ALA CB C 13 17.2805 0.012 . 1 . . . . A 8 ALA CB . 30286 1 24 . 1 1 8 8 ALA N N 15 119.7418 0.086 . 1 . . . . A 8 ALA N . 30286 1 25 . 1 1 9 9 PHE H H 1 7.8860 0.007 . 1 . . . . A 9 PHE H . 30286 1 26 . 1 1 9 9 PHE C C 13 178.1645 0.012 . 1 . . . . A 9 PHE C . 30286 1 27 . 1 1 9 9 PHE CA C 13 60.3629 0.012 . 1 . . . . A 9 PHE CA . 30286 1 28 . 1 1 9 9 PHE CB C 13 38.5869 0.012 . 1 . . . . A 9 PHE CB . 30286 1 29 . 1 1 9 9 PHE N N 15 118.2186 0.086 . 1 . . . . A 9 PHE N . 30286 1 30 . 1 1 10 10 LEU H H 1 8.5266 0.007 . 1 . . . . A 10 LEU H . 30286 1 31 . 1 1 10 10 LEU C C 13 178.4125 0.012 . 1 . . . . A 10 LEU C . 30286 1 32 . 1 1 10 10 LEU CA C 13 57.2785 0.012 . 1 . . . . A 10 LEU CA . 30286 1 33 . 1 1 10 10 LEU CB C 13 40.0556 0.012 . 1 . . . . A 10 LEU CB . 30286 1 34 . 1 1 10 10 LEU N N 15 119.4293 0.086 . 1 . . . . A 10 LEU N . 30286 1 35 . 1 1 11 11 ALA H H 1 8.4709 0.007 . 1 . . . . A 11 ALA H . 30286 1 36 . 1 1 11 11 ALA C C 13 180.2336 0.012 . 1 . . . . A 11 ALA C . 30286 1 37 . 1 1 11 11 ALA CA C 13 54.7775 0.012 . 1 . . . . A 11 ALA CA . 30286 1 38 . 1 1 11 11 ALA CB C 13 15.8886 0.012 . 1 . . . . A 11 ALA CB . 30286 1 39 . 1 1 11 11 ALA N N 15 120.5532 0.086 . 1 . . . . A 11 ALA N . 30286 1 40 . 1 1 12 12 GLY H H 1 8.0146 0.007 . 1 . . . . A 12 GLY H . 30286 1 41 . 1 1 12 12 GLY C C 13 173.9876 0.012 . 1 . . . . A 12 GLY C . 30286 1 42 . 1 1 12 12 GLY CA C 13 47.6042 0.012 . 1 . . . . A 12 GLY CA . 30286 1 43 . 1 1 12 12 GLY N N 15 111.9927 0.086 . 1 . . . . A 12 GLY N . 30286 1 44 . 1 1 13 13 VAL H H 1 7.3699 0.007 . 1 . . . . A 13 VAL H . 30286 1 45 . 1 1 13 13 VAL C C 13 178.5202 0.012 . 1 . . . . A 13 VAL C . 30286 1 46 . 1 1 13 13 VAL CA C 13 65.9506 0.012 . 1 . . . . A 13 VAL CA . 30286 1 47 . 1 1 13 13 VAL CB C 13 29.7855 0.012 . 1 . . . . A 13 VAL CB . 30286 1 48 . 1 1 13 13 VAL N N 15 122.6898 0.086 . 1 . . . . A 13 VAL N . 30286 1 49 . 1 1 14 14 LEU H H 1 8.1765 0.007 . 1 . . . . A 14 LEU H . 30286 1 50 . 1 1 14 14 LEU C C 13 178.6482 0.012 . 1 . . . . A 14 LEU C . 30286 1 51 . 1 1 14 14 LEU CA C 13 56.8611 0.012 . 1 . . . . A 14 LEU CA . 30286 1 52 . 1 1 14 14 LEU CB C 13 40.1155 0.012 . 1 . . . . A 14 LEU CB . 30286 1 53 . 1 1 14 14 LEU N N 15 115.5462 0.086 . 1 . . . . A 14 LEU N . 30286 1 54 . 1 1 15 15 SER H H 1 7.5837 0.007 . 1 . . . . A 15 SER H . 30286 1 55 . 1 1 15 15 SER C C 13 174.8875 0.012 . 1 . . . . A 15 SER C . 30286 1 56 . 1 1 15 15 SER CA C 13 62.3237 0.012 . 1 . . . . A 15 SER CA . 30286 1 57 . 1 1 15 15 SER N N 15 114.1932 0.086 . 1 . . . . A 15 SER N . 30286 1 58 . 1 1 16 16 PHE H H 1 7.5027 0.007 . 1 . . . . A 16 PHE H . 30286 1 59 . 1 1 16 16 PHE C C 13 172.6395 0.012 . 1 . . . . A 16 PHE C . 30286 1 60 . 1 1 16 16 PHE CA C 13 59.9424 0.012 . 1 . . . . A 16 PHE CA . 30286 1 61 . 1 1 16 16 PHE CB C 13 39.2596 0.012 . 1 . . . . A 16 PHE CB . 30286 1 62 . 1 1 16 16 PHE N N 15 123.7369 0.086 . 1 . . . . A 16 PHE N . 30286 1 63 . 1 1 17 17 LEU H H 1 6.9335 0.007 . 1 . . . . A 17 LEU H . 30286 1 64 . 1 1 17 17 LEU C C 13 175.1984 0.012 . 1 . . . . A 17 LEU C . 30286 1 65 . 1 1 17 17 LEU CA C 13 53.6452 0.012 . 1 . . . . A 17 LEU CA . 30286 1 66 . 1 1 17 17 LEU CB C 13 39.8268 0.012 . 1 . . . . A 17 LEU CB . 30286 1 67 . 1 1 17 17 LEU N N 15 111.6086 0.086 . 1 . . . . A 17 LEU N . 30286 1 68 . 1 1 18 18 SER H H 1 7.1503 0.007 . 1 . . . . A 18 SER H . 30286 1 69 . 1 1 18 18 SER CA C 13 56.6316 0.012 . 1 . . . . A 18 SER CA . 30286 1 70 . 1 1 18 18 SER CB C 13 62.9404 0.012 . 1 . . . . A 18 SER CB . 30286 1 71 . 1 1 18 18 SER N N 15 111.9611 0.086 . 1 . . . . A 18 SER N . 30286 1 72 . 1 1 20 20 CYS H H 1 7.0656 0.007 . 1 . . . . A 20 CYS H . 30286 1 73 . 1 1 20 20 CYS CA C 13 55.9177 0.012 . 1 . . . . A 20 CYS CA . 30286 1 74 . 1 1 20 20 CYS N N 15 108.2934 0.086 . 1 . . . . A 20 CYS N . 30286 1 75 . 1 1 23 23 PRO C C 13 176.5423 0.012 . 1 . . . . A 23 PRO C . 30286 1 76 . 1 1 23 23 PRO CA C 13 63.5686 0.012 . 1 . . . . A 23 PRO CA . 30286 1 77 . 1 1 24 24 LEU H H 1 7.2369 0.007 . 1 . . . . A 24 LEU H . 30286 1 78 . 1 1 24 24 LEU C C 13 178.7556 0.012 . 1 . . . . A 24 LEU C . 30286 1 79 . 1 1 24 24 LEU CA C 13 58.8881 0.012 . 1 . . . . A 24 LEU CA . 30286 1 80 . 1 1 24 24 LEU CB C 13 39.0081 0.012 . 1 . . . . A 24 LEU CB . 30286 1 81 . 1 1 24 24 LEU N N 15 120.6852 0.086 . 1 . . . . A 24 LEU N . 30286 1 82 . 1 1 25 25 VAL H H 1 8.0735 0.007 . 1 . . . . A 25 VAL H . 30286 1 83 . 1 1 25 25 VAL CA C 13 68.4179 0.012 . 1 . . . . A 25 VAL CA . 30286 1 84 . 1 1 25 25 VAL N N 15 122.2736 0.086 . 1 . . . . A 25 VAL N . 30286 1 85 . 1 1 26 26 PRO C C 13 176.6897 0.012 . 1 . . . . A 26 PRO C . 30286 1 86 . 1 1 27 27 THR H H 1 7.2853 0.007 . 1 . . . . A 27 THR H . 30286 1 87 . 1 1 27 27 THR C C 13 175.5878 0.012 . 1 . . . . A 27 THR C . 30286 1 88 . 1 1 27 27 THR CA C 13 67.2805 0.012 . 1 . . . . A 27 THR CA . 30286 1 89 . 1 1 27 27 THR N N 15 112.2731 0.086 . 1 . . . . A 27 THR N . 30286 1 90 . 1 1 28 28 TYR H H 1 7.6156 0.007 . 1 . . . . A 28 TYR H . 30286 1 91 . 1 1 28 28 TYR C C 13 175.9450 0.012 . 1 . . . . A 28 TYR C . 30286 1 92 . 1 1 28 28 TYR CA C 13 60.3884 0.012 . 1 . . . . A 28 TYR CA . 30286 1 93 . 1 1 28 28 TYR N N 15 122.1697 0.086 . 1 . . . . A 28 TYR N . 30286 1 94 . 1 1 29 29 LEU H H 1 8.0479 0.007 . 1 . . . . A 29 LEU H . 30286 1 95 . 1 1 29 29 LEU C C 13 178.6614 0.012 . 1 . . . . A 29 LEU C . 30286 1 96 . 1 1 29 29 LEU CA C 13 57.7462 0.012 . 1 . . . . A 29 LEU CA . 30286 1 97 . 1 1 29 29 LEU CB C 13 41.1037 0.012 . 1 . . . . A 29 LEU CB . 30286 1 98 . 1 1 29 29 LEU N N 15 118.3700 0.086 . 1 . . . . A 29 LEU N . 30286 1 99 . 1 1 30 30 PHE H H 1 8.3240 0.007 . 1 . . . . A 30 PHE H . 30286 1 100 . 1 1 30 30 PHE C C 13 178.2471 0.012 . 1 . . . . A 30 PHE C . 30286 1 101 . 1 1 30 30 PHE CA C 13 60.3786 0.012 . 1 . . . . A 30 PHE CA . 30286 1 102 . 1 1 30 30 PHE N N 15 117.6581 0.086 . 1 . . . . A 30 PHE N . 30286 1 103 . 1 1 31 31 TYR H H 1 8.1449 0.007 . 1 . . . . A 31 TYR H . 30286 1 104 . 1 1 31 31 TYR C C 13 177.2734 0.012 . 1 . . . . A 31 TYR C . 30286 1 105 . 1 1 31 31 TYR CA C 13 61.4194 0.012 . 1 . . . . A 31 TYR CA . 30286 1 106 . 1 1 31 31 TYR CB C 13 37.6189 0.012 . 1 . . . . A 31 TYR CB . 30286 1 107 . 1 1 31 31 TYR N N 15 120.1364 0.086 . 1 . . . . A 31 TYR N . 30286 1 108 . 1 1 32 32 LEU H H 1 7.8742 0.007 . 1 . . . . A 32 LEU H . 30286 1 109 . 1 1 32 32 LEU C C 13 179.2730 0.012 . 1 . . . . A 32 LEU C . 30286 1 110 . 1 1 32 32 LEU CA C 13 56.7161 0.012 . 1 . . . . A 32 LEU CA . 30286 1 111 . 1 1 32 32 LEU CB C 13 40.9789 0.012 . 1 . . . . A 32 LEU CB . 30286 1 112 . 1 1 32 32 LEU N N 15 117.4006 0.086 . 1 . . . . A 32 LEU N . 30286 1 113 . 1 1 33 33 GLY H H 1 7.8705 0.007 . 1 . . . . A 33 GLY H . 30286 1 114 . 1 1 33 33 GLY C C 13 173.9894 0.012 . 1 . . . . A 33 GLY C . 30286 1 115 . 1 1 33 33 GLY CA C 13 45.8418 0.012 . 1 . . . . A 33 GLY CA . 30286 1 116 . 1 1 33 33 GLY N N 15 103.9780 0.086 . 1 . . . . A 33 GLY N . 30286 1 117 . 1 1 34 34 GLY H H 1 7.5643 0.007 . 1 . . . . A 34 GLY H . 30286 1 118 . 1 1 34 34 GLY C C 13 173.7959 0.012 . 1 . . . . A 34 GLY C . 30286 1 119 . 1 1 34 34 GLY CA C 13 44.7734 0.012 . 1 . . . . A 34 GLY CA . 30286 1 120 . 1 1 34 34 GLY N N 15 106.8676 0.086 . 1 . . . . A 34 GLY N . 30286 1 121 . 1 1 35 35 ALA H H 1 7.5548 0.007 . 1 . . . . A 35 ALA H . 30286 1 122 . 1 1 35 35 ALA CA C 13 52.0999 0.012 . 1 . . . . A 35 ALA CA . 30286 1 123 . 1 1 35 35 ALA N N 15 123.5919 0.086 . 1 . . . . A 35 ALA N . 30286 1 124 . 1 1 39 39 PRO C C 13 178.1358 0.012 . 1 . . . . A 39 PRO C . 30286 1 125 . 1 1 39 39 PRO CA C 13 65.6284 0.012 . 1 . . . . A 39 PRO CA . 30286 1 126 . 1 1 40 40 LEU H H 1 8.2975 0.007 . 1 . . . . A 40 LEU H . 30286 1 127 . 1 1 40 40 LEU C C 13 177.9148 0.012 . 1 . . . . A 40 LEU C . 30286 1 128 . 1 1 40 40 LEU CA C 13 57.7443 0.012 . 1 . . . . A 40 LEU CA . 30286 1 129 . 1 1 40 40 LEU CB C 13 40.8781 0.012 . 1 . . . . A 40 LEU CB . 30286 1 130 . 1 1 40 40 LEU N N 15 116.1061 0.086 . 1 . . . . A 40 LEU N . 30286 1 131 . 1 1 41 41 PHE H H 1 7.2527 0.007 . 1 . . . . A 41 PHE H . 30286 1 132 . 1 1 41 41 PHE C C 13 177.2490 0.012 . 1 . . . . A 41 PHE C . 30286 1 133 . 1 1 41 41 PHE CA C 13 59.9849 0.012 . 1 . . . . A 41 PHE CA . 30286 1 134 . 1 1 41 41 PHE N N 15 117.1039 0.086 . 1 . . . . A 41 PHE N . 30286 1 135 . 1 1 42 42 ASN H H 1 7.8580 0.007 . 1 . . . . A 42 ASN H . 30286 1 136 . 1 1 42 42 ASN C C 13 177.5520 0.012 . 1 . . . . A 42 ASN C . 30286 1 137 . 1 1 42 42 ASN CA C 13 56.3485 0.012 . 1 . . . . A 42 ASN CA . 30286 1 138 . 1 1 42 42 ASN CB C 13 37.9415 0.012 . 1 . . . . A 42 ASN CB . 30286 1 139 . 1 1 42 42 ASN N N 15 116.8150 0.086 . 1 . . . . A 42 ASN N . 30286 1 140 . 1 1 43 43 ALA H H 1 8.4598 0.007 . 1 . . . . A 43 ALA H . 30286 1 141 . 1 1 43 43 ALA C C 13 179.0703 0.012 . 1 . . . . A 43 ALA C . 30286 1 142 . 1 1 43 43 ALA CA C 13 55.1031 0.012 . 1 . . . . A 43 ALA CA . 30286 1 143 . 1 1 43 43 ALA CB C 13 17.0570 0.012 . 1 . . . . A 43 ALA CB . 30286 1 144 . 1 1 43 43 ALA N N 15 121.8140 0.086 . 1 . . . . A 43 ALA N . 30286 1 145 . 1 1 44 44 LEU H H 1 7.6560 0.007 . 1 . . . . A 44 LEU H . 30286 1 146 . 1 1 44 44 LEU C C 13 177.9063 0.012 . 1 . . . . A 44 LEU C . 30286 1 147 . 1 1 44 44 LEU CA C 13 57.9715 0.012 . 1 . . . . A 44 LEU CA . 30286 1 148 . 1 1 44 44 LEU CB C 13 39.8956 0.012 . 1 . . . . A 44 LEU CB . 30286 1 149 . 1 1 44 44 LEU N N 15 116.7985 0.086 . 1 . . . . A 44 LEU N . 30286 1 150 . 1 1 45 45 PHE H H 1 7.4809 0.007 . 1 . . . . A 45 PHE H . 30286 1 151 . 1 1 45 45 PHE C C 13 177.2253 0.012 . 1 . . . . A 45 PHE C . 30286 1 152 . 1 1 45 45 PHE CA C 13 62.4682 0.012 . 1 . . . . A 45 PHE CA . 30286 1 153 . 1 1 45 45 PHE CB C 13 38.9219 0.012 . 1 . . . . A 45 PHE CB . 30286 1 154 . 1 1 45 45 PHE N N 15 116.3185 0.086 . 1 . . . . A 45 PHE N . 30286 1 155 . 1 1 46 46 PHE H H 1 7.9626 0.007 . 1 . . . . A 46 PHE H . 30286 1 156 . 1 1 46 46 PHE C C 13 176.5430 0.012 . 1 . . . . A 46 PHE C . 30286 1 157 . 1 1 46 46 PHE CA C 13 60.9953 0.012 . 1 . . . . A 46 PHE CA . 30286 1 158 . 1 1 46 46 PHE CB C 13 38.4980 0.012 . 1 . . . . A 46 PHE CB . 30286 1 159 . 1 1 46 46 PHE N N 15 121.8006 0.086 . 1 . . . . A 46 PHE N . 30286 1 160 . 1 1 47 47 ILE H H 1 8.0265 0.007 . 1 . . . . A 47 ILE H . 30286 1 161 . 1 1 47 47 ILE C C 13 177.4815 0.012 . 1 . . . . A 47 ILE C . 30286 1 162 . 1 1 47 47 ILE CA C 13 62.8638 0.012 . 1 . . . . A 47 ILE CA . 30286 1 163 . 1 1 47 47 ILE N N 15 119.2602 0.086 . 1 . . . . A 47 ILE N . 30286 1 164 . 1 1 48 48 LEU H H 1 7.9538 0.007 . 1 . . . . A 48 LEU H . 30286 1 165 . 1 1 48 48 LEU C C 13 177.6024 0.012 . 1 . . . . A 48 LEU C . 30286 1 166 . 1 1 48 48 LEU CA C 13 57.4078 0.012 . 1 . . . . A 48 LEU CA . 30286 1 167 . 1 1 48 48 LEU N N 15 119.2658 0.086 . 1 . . . . A 48 LEU N . 30286 1 168 . 1 1 49 49 GLY H H 1 7.6272 0.007 . 1 . . . . A 49 GLY H . 30286 1 169 . 1 1 49 49 GLY C C 13 174.3845 0.012 . 1 . . . . A 49 GLY C . 30286 1 170 . 1 1 49 49 GLY CA C 13 46.8911 0.012 . 1 . . . . A 49 GLY CA . 30286 1 171 . 1 1 49 49 GLY N N 15 107.0665 0.086 . 1 . . . . A 49 GLY N . 30286 1 172 . 1 1 50 50 PHE H H 1 7.2512 0.007 . 1 . . . . A 50 PHE H . 30286 1 173 . 1 1 50 50 PHE C C 13 177.1502 0.012 . 1 . . . . A 50 PHE C . 30286 1 174 . 1 1 50 50 PHE CA C 13 58.6065 0.012 . 1 . . . . A 50 PHE CA . 30286 1 175 . 1 1 50 50 PHE N N 15 118.0556 0.086 . 1 . . . . A 50 PHE N . 30286 1 176 . 1 1 51 51 GLY C C 13 174.6092 0.012 . 1 . . . . A 51 GLY C . 30286 1 177 . 1 1 51 51 GLY CA C 13 46.8572 0.012 . 1 . . . . A 51 GLY CA . 30286 1 178 . 1 1 52 52 ALA H H 1 8.4436 0.007 . 1 . . . . A 52 ALA H . 30286 1 179 . 1 1 52 52 ALA C C 13 179.0866 0.012 . 1 . . . . A 52 ALA C . 30286 1 180 . 1 1 52 52 ALA CA C 13 55.2247 0.012 . 1 . . . . A 52 ALA CA . 30286 1 181 . 1 1 52 52 ALA CB C 13 16.6651 0.012 . 1 . . . . A 52 ALA CB . 30286 1 182 . 1 1 52 52 ALA N N 15 122.3161 0.086 . 1 . . . . A 52 ALA N . 30286 1 183 . 1 1 53 53 VAL H H 1 6.8903 0.007 . 1 . . . . A 53 VAL H . 30286 1 184 . 1 1 53 53 VAL C C 13 177.4011 0.012 . 1 . . . . A 53 VAL C . 30286 1 185 . 1 1 53 53 VAL CA C 13 66.8838 0.012 . 1 . . . . A 53 VAL CA . 30286 1 186 . 1 1 53 53 VAL CB C 13 29.7147 0.012 . 1 . . . . A 53 VAL CB . 30286 1 187 . 1 1 53 53 VAL N N 15 115.7539 0.086 . 1 . . . . A 53 VAL N . 30286 1 188 . 1 1 54 54 PHE C C 13 177.4824 0.012 . 1 . . . . A 54 PHE C . 30286 1 189 . 1 1 54 54 PHE CA C 13 59.8613 0.012 . 1 . . . . A 54 PHE CA . 30286 1 190 . 1 1 55 55 PHE H H 1 8.3271 0.007 . 1 . . . . A 55 PHE H . 30286 1 191 . 1 1 55 55 PHE C C 13 176.8886 0.012 . 1 . . . . A 55 PHE C . 30286 1 192 . 1 1 55 55 PHE CA C 13 61.4277 0.012 . 1 . . . . A 55 PHE CA . 30286 1 193 . 1 1 55 55 PHE CB C 13 39.2533 0.012 . 1 . . . . A 55 PHE CB . 30286 1 194 . 1 1 55 55 PHE N N 15 117.1849 0.086 . 1 . . . . A 55 PHE N . 30286 1 195 . 1 1 56 56 LEU H H 1 8.0105 0.007 . 1 . . . . A 56 LEU H . 30286 1 196 . 1 1 56 56 LEU C C 13 177.7032 0.012 . 1 . . . . A 56 LEU C . 30286 1 197 . 1 1 56 56 LEU CA C 13 57.5455 0.012 . 1 . . . . A 56 LEU CA . 30286 1 198 . 1 1 56 56 LEU N N 15 117.4503 0.086 . 1 . . . . A 56 LEU N . 30286 1 199 . 1 1 57 57 LEU C C 13 177.6996 0.012 . 1 . . . . A 57 LEU C . 30286 1 200 . 1 1 57 57 LEU CA C 13 55.4476 0.012 . 1 . . . . A 57 LEU CA . 30286 1 201 . 1 1 58 58 GLY H H 1 7.8158 0.007 . 1 . . . . A 58 GLY H . 30286 1 202 . 1 1 58 58 GLY C C 13 177.8273 0.012 . 1 . . . . A 58 GLY C . 30286 1 203 . 1 1 58 58 GLY CA C 13 46.0423 0.012 . 1 . . . . A 58 GLY CA . 30286 1 204 . 1 1 58 58 GLY N N 15 104.5891 0.086 . 1 . . . . A 58 GLY N . 30286 1 205 . 1 1 59 59 LEU H H 1 7.9844 0.007 . 1 . . . . A 59 LEU H . 30286 1 206 . 1 1 59 59 LEU CA C 13 56.0072 0.012 . 1 . . . . A 59 LEU CA . 30286 1 207 . 1 1 59 59 LEU N N 15 114.3169 0.086 . 1 . . . . A 59 LEU N . 30286 1 208 . 1 1 60 60 PRO C C 13 176.9339 0.012 . 1 . . . . A 60 PRO C . 30286 1 209 . 1 1 60 60 PRO CA C 13 64.9302 0.012 . 1 . . . . A 60 PRO CA . 30286 1 210 . 1 1 61 61 PHE H H 1 7.3618 0.007 . 1 . . . . A 61 PHE H . 30286 1 211 . 1 1 61 61 PHE C C 13 176.6644 0.012 . 1 . . . . A 61 PHE C . 30286 1 212 . 1 1 61 61 PHE CA C 13 59.5209 0.012 . 1 . . . . A 61 PHE CA . 30286 1 213 . 1 1 61 61 PHE N N 15 115.5702 0.086 . 1 . . . . A 61 PHE N . 30286 1 214 . 1 1 62 62 THR H H 1 7.7328 0.007 . 1 . . . . A 62 THR H . 30286 1 215 . 1 1 62 62 THR C C 13 175.7129 0.012 . 1 . . . . A 62 THR C . 30286 1 216 . 1 1 62 62 THR CA C 13 63.8227 0.012 . 1 . . . . A 62 THR CA . 30286 1 217 . 1 1 62 62 THR N N 15 112.0420 0.086 . 1 . . . . A 62 THR N . 30286 1 218 . 1 1 63 63 LEU H H 1 7.8162 0.007 . 1 . . . . A 63 LEU H . 30286 1 219 . 1 1 63 63 LEU C C 13 177.7960 0.012 . 1 . . . . A 63 LEU C . 30286 1 220 . 1 1 63 63 LEU CA C 13 56.5161 0.012 . 1 . . . . A 63 LEU CA . 30286 1 221 . 1 1 63 63 LEU CB C 13 41.7064 0.012 . 1 . . . . A 63 LEU CB . 30286 1 222 . 1 1 63 63 LEU N N 15 120.8408 0.086 . 1 . . . . A 63 LEU N . 30286 1 223 . 1 1 64 64 LEU H H 1 7.7915 0.007 . 1 . . . . A 64 LEU H . 30286 1 224 . 1 1 64 64 LEU C C 13 177.8003 0.012 . 1 . . . . A 64 LEU C . 30286 1 225 . 1 1 64 64 LEU CA C 13 55.1177 0.012 . 1 . . . . A 64 LEU CA . 30286 1 226 . 1 1 64 64 LEU CB C 13 41.2703 0.012 . 1 . . . . A 64 LEU CB . 30286 1 227 . 1 1 64 64 LEU N N 15 117.3639 0.086 . 1 . . . . A 64 LEU N . 30286 1 228 . 1 1 65 65 GLY H H 1 7.7610 0.007 . 1 . . . . A 65 GLY H . 30286 1 229 . 1 1 65 65 GLY C C 13 175.1691 0.012 . 1 . . . . A 65 GLY C . 30286 1 230 . 1 1 65 65 GLY CA C 13 46.5445 0.012 . 1 . . . . A 65 GLY CA . 30286 1 231 . 1 1 65 65 GLY N N 15 107.2400 0.086 . 1 . . . . A 65 GLY N . 30286 1 232 . 1 1 66 66 GLY H H 1 8.0470 0.007 . 1 . . . . A 66 GLY H . 30286 1 233 . 1 1 66 66 GLY C C 13 175.1426 0.012 . 1 . . . . A 66 GLY C . 30286 1 234 . 1 1 66 66 GLY CA C 13 45.9258 0.012 . 1 . . . . A 66 GLY CA . 30286 1 235 . 1 1 66 66 GLY N N 15 108.3694 0.086 . 1 . . . . A 66 GLY N . 30286 1 236 . 1 1 67 67 LEU H H 1 7.6307 0.007 . 1 . . . . A 67 LEU H . 30286 1 237 . 1 1 67 67 LEU C C 13 178.0127 0.012 . 1 . . . . A 67 LEU C . 30286 1 238 . 1 1 67 67 LEU CA C 13 56.5246 0.012 . 1 . . . . A 67 LEU CA . 30286 1 239 . 1 1 67 67 LEU CB C 13 41.6744 0.012 . 1 . . . . A 67 LEU CB . 30286 1 240 . 1 1 67 67 LEU N N 15 121.2045 0.086 . 1 . . . . A 67 LEU N . 30286 1 241 . 1 1 68 68 LEU H H 1 7.9240 0.007 . 1 . . . . A 68 LEU H . 30286 1 242 . 1 1 68 68 LEU CA C 13 56.1770 0.012 . 1 . . . . A 68 LEU CA . 30286 1 243 . 1 1 68 68 LEU CB C 13 40.5480 0.012 . 1 . . . . A 68 LEU CB . 30286 1 244 . 1 1 68 68 LEU N N 15 118.2390 0.086 . 1 . . . . A 68 LEU N . 30286 1 245 . 1 1 69 69 PHE C C 13 177.8917 0.012 . 1 . . . . A 69 PHE C . 30286 1 246 . 1 1 69 69 PHE CA C 13 60.2286 0.012 . 1 . . . . A 69 PHE CA . 30286 1 247 . 1 1 70 70 GLU H H 1 8.3485 0.007 . 1 . . . . A 70 GLU H . 30286 1 248 . 1 1 70 70 GLU C C 13 177.7112 0.012 . 1 . . . . A 70 GLU C . 30286 1 249 . 1 1 70 70 GLU CA C 13 58.2154 0.012 . 1 . . . . A 70 GLU CA . 30286 1 250 . 1 1 70 70 GLU N N 15 119.4020 0.086 . 1 . . . . A 70 GLU N . 30286 1 251 . 1 1 73 73 GLN H H 1 7.9829 0.007 . 1 . . . . A 73 GLN H . 30286 1 252 . 1 1 73 73 GLN C C 13 178.1365 0.012 . 1 . . . . A 73 GLN C . 30286 1 253 . 1 1 73 73 GLN CA C 13 58.5428 0.012 . 1 . . . . A 73 GLN CA . 30286 1 254 . 1 1 73 73 GLN N N 15 116.2188 0.086 . 1 . . . . A 73 GLN N . 30286 1 255 . 1 1 74 74 THR H H 1 7.6189 0.007 . 1 . . . . A 74 THR H . 30286 1 256 . 1 1 74 74 THR C C 13 176.0724 0.012 . 1 . . . . A 74 THR C . 30286 1 257 . 1 1 74 74 THR CA C 13 66.5537 0.012 . 1 . . . . A 74 THR CA . 30286 1 258 . 1 1 74 74 THR N N 15 117.2025 0.086 . 1 . . . . A 74 THR N . 30286 1 259 . 1 1 75 75 LEU H H 1 7.8572 0.007 . 1 . . . . A 75 LEU H . 30286 1 260 . 1 1 75 75 LEU C C 13 178.3758 0.012 . 1 . . . . A 75 LEU C . 30286 1 261 . 1 1 75 75 LEU CA C 13 57.8945 0.012 . 1 . . . . A 75 LEU CA . 30286 1 262 . 1 1 75 75 LEU CB C 13 40.0849 0.012 . 1 . . . . A 75 LEU CB . 30286 1 263 . 1 1 75 75 LEU N N 15 120.2222 0.086 . 1 . . . . A 75 LEU N . 30286 1 264 . 1 1 76 76 ALA H H 1 7.6927 0.007 . 1 . . . . A 76 ALA H . 30286 1 265 . 1 1 76 76 ALA C C 13 179.0208 0.012 . 1 . . . . A 76 ALA C . 30286 1 266 . 1 1 76 76 ALA CA C 13 54.9766 0.012 . 1 . . . . A 76 ALA CA . 30286 1 267 . 1 1 76 76 ALA CB C 13 16.9095 0.012 . 1 . . . . A 76 ALA CB . 30286 1 268 . 1 1 76 76 ALA N N 15 120.6323 0.086 . 1 . . . . A 76 ALA N . 30286 1 269 . 1 1 77 77 ARG H H 1 7.5784 0.007 . 1 . . . . A 77 ARG H . 30286 1 270 . 1 1 77 77 ARG C C 13 178.2763 0.012 . 1 . . . . A 77 ARG C . 30286 1 271 . 1 1 77 77 ARG CA C 13 59.6847 0.012 . 1 . . . . A 77 ARG CA . 30286 1 272 . 1 1 77 77 ARG CB C 13 28.3498 0.012 . 1 . . . . A 77 ARG CB . 30286 1 273 . 1 1 77 77 ARG N N 15 116.1430 0.086 . 1 . . . . A 77 ARG N . 30286 1 274 . 1 1 78 78 VAL H H 1 7.9751 0.007 . 1 . . . . A 78 VAL H . 30286 1 275 . 1 1 78 78 VAL C C 13 177.6346 0.012 . 1 . . . . A 78 VAL C . 30286 1 276 . 1 1 78 78 VAL CA C 13 66.3649 0.012 . 1 . . . . A 78 VAL CA . 30286 1 277 . 1 1 78 78 VAL CB C 13 29.9832 0.012 . 1 . . . . A 78 VAL CB . 30286 1 278 . 1 1 78 78 VAL N N 15 117.7589 0.086 . 1 . . . . A 78 VAL N . 30286 1 279 . 1 1 79 79 GLY H H 1 8.3878 0.007 . 1 . . . . A 79 GLY H . 30286 1 280 . 1 1 79 79 GLY C C 13 175.1548 0.012 . 1 . . . . A 79 GLY C . 30286 1 281 . 1 1 79 79 GLY CA C 13 47.2171 0.012 . 1 . . . . A 79 GLY CA . 30286 1 282 . 1 1 79 79 GLY N N 15 105.8409 0.086 . 1 . . . . A 79 GLY N . 30286 1 283 . 1 1 80 80 GLY H H 1 8.3548 0.007 . 1 . . . . A 80 GLY H . 30286 1 284 . 1 1 80 80 GLY C C 13 174.6834 0.012 . 1 . . . . A 80 GLY C . 30286 1 285 . 1 1 80 80 GLY CA C 13 48.5487 0.012 . 1 . . . . A 80 GLY CA . 30286 1 286 . 1 1 80 80 GLY N N 15 107.7767 0.086 . 1 . . . . A 80 GLY N . 30286 1 287 . 1 1 81 81 VAL H H 1 7.8089 0.007 . 1 . . . . A 81 VAL H . 30286 1 288 . 1 1 81 81 VAL C C 13 177.2915 0.012 . 1 . . . . A 81 VAL C . 30286 1 289 . 1 1 81 81 VAL CA C 13 66.8562 0.012 . 1 . . . . A 81 VAL CA . 30286 1 290 . 1 1 81 81 VAL CB C 13 30.1300 0.012 . 1 . . . . A 81 VAL CB . 30286 1 291 . 1 1 81 81 VAL N N 15 120.2813 0.086 . 1 . . . . A 81 VAL N . 30286 1 292 . 1 1 82 82 VAL H H 1 7.7767 0.007 . 1 . . . . A 82 VAL H . 30286 1 293 . 1 1 82 82 VAL C C 13 177.4568 0.012 . 1 . . . . A 82 VAL C . 30286 1 294 . 1 1 82 82 VAL CA C 13 67.3428 0.012 . 1 . . . . A 82 VAL CA . 30286 1 295 . 1 1 82 82 VAL CB C 13 29.7288 0.012 . 1 . . . . A 82 VAL CB . 30286 1 296 . 1 1 82 82 VAL N N 15 118.7709 0.086 . 1 . . . . A 82 VAL N . 30286 1 297 . 1 1 83 83 LEU H H 1 7.9685 0.007 . 1 . . . . A 83 LEU H . 30286 1 298 . 1 1 83 83 LEU C C 13 179.1650 0.012 . 1 . . . . A 83 LEU C . 30286 1 299 . 1 1 83 83 LEU CA C 13 58.5973 0.012 . 1 . . . . A 83 LEU CA . 30286 1 300 . 1 1 83 83 LEU CB C 13 40.0462 0.012 . 1 . . . . A 83 LEU CB . 30286 1 301 . 1 1 83 83 LEU N N 15 118.4746 0.086 . 1 . . . . A 83 LEU N . 30286 1 302 . 1 1 84 84 VAL H H 1 8.0337 0.007 . 1 . . . . A 84 VAL H . 30286 1 303 . 1 1 84 84 VAL C C 13 177.8082 0.012 . 1 . . . . A 84 VAL C . 30286 1 304 . 1 1 84 84 VAL CA C 13 67.0303 0.012 . 1 . . . . A 84 VAL CA . 30286 1 305 . 1 1 84 84 VAL CB C 13 29.9637 0.012 . 1 . . . . A 84 VAL CB . 30286 1 306 . 1 1 84 84 VAL N N 15 117.9396 0.086 . 1 . . . . A 84 VAL N . 30286 1 307 . 1 1 85 85 LEU H H 1 8.1738 0.007 . 1 . . . . A 85 LEU H . 30286 1 308 . 1 1 85 85 LEU C C 13 178.8788 0.012 . 1 . . . . A 85 LEU C . 30286 1 309 . 1 1 85 85 LEU CA C 13 58.4190 0.012 . 1 . . . . A 85 LEU CA . 30286 1 310 . 1 1 85 85 LEU CB C 13 39.8776 0.012 . 1 . . . . A 85 LEU CB . 30286 1 311 . 1 1 85 85 LEU N N 15 119.0841 0.086 . 1 . . . . A 85 LEU N . 30286 1 312 . 1 1 86 86 PHE H H 1 8.6092 0.007 . 1 . . . . A 86 PHE H . 30286 1 313 . 1 1 86 86 PHE C C 13 178.8917 0.012 . 1 . . . . A 86 PHE C . 30286 1 314 . 1 1 86 86 PHE CA C 13 60.8348 0.012 . 1 . . . . A 86 PHE CA . 30286 1 315 . 1 1 86 86 PHE N N 15 118.7237 0.086 . 1 . . . . A 86 PHE N . 30286 1 316 . 1 1 87 87 GLY H H 1 8.8668 0.007 . 1 . . . . A 87 GLY H . 30286 1 317 . 1 1 87 87 GLY C C 13 175.3491 0.012 . 1 . . . . A 87 GLY C . 30286 1 318 . 1 1 87 87 GLY CA C 13 48.7149 0.012 . 1 . . . . A 87 GLY CA . 30286 1 319 . 1 1 87 87 GLY N N 15 108.8456 0.086 . 1 . . . . A 87 GLY N . 30286 1 320 . 1 1 88 88 LEU H H 1 8.6615 0.007 . 1 . . . . A 88 LEU H . 30286 1 321 . 1 1 88 88 LEU C C 13 179.1499 0.012 . 1 . . . . A 88 LEU C . 30286 1 322 . 1 1 88 88 LEU CA C 13 57.7969 0.012 . 1 . . . . A 88 LEU CA . 30286 1 323 . 1 1 88 88 LEU CB C 13 39.4200 0.012 . 1 . . . . A 88 LEU CB . 30286 1 324 . 1 1 88 88 LEU N N 15 120.7458 0.086 . 1 . . . . A 88 LEU N . 30286 1 325 . 1 1 89 89 TYR H H 1 8.2414 0.007 . 1 . . . . A 89 TYR H . 30286 1 326 . 1 1 89 89 TYR C C 13 174.1335 0.012 . 1 . . . . A 89 TYR C . 30286 1 327 . 1 1 89 89 TYR CA C 13 61.0643 0.012 . 1 . . . . A 89 TYR CA . 30286 1 328 . 1 1 89 89 TYR CB C 13 37.5871 0.012 . 1 . . . . A 89 TYR CB . 30286 1 329 . 1 1 89 89 TYR N N 15 121.1635 0.086 . 1 . . . . A 89 TYR N . 30286 1 330 . 1 1 90 90 MET H H 1 8.4409 0.007 . 1 . . . . A 90 MET H . 30286 1 331 . 1 1 90 90 MET C C 13 177.4335 0.012 . 1 . . . . A 90 MET C . 30286 1 332 . 1 1 90 90 MET CA C 13 58.5859 0.012 . 1 . . . . A 90 MET CA . 30286 1 333 . 1 1 91 91 LEU H H 1 7.7998 0.007 . 1 . . . . A 91 LEU H . 30286 1 334 . 1 1 91 91 LEU C C 13 176.2680 0.012 . 1 . . . . A 91 LEU C . 30286 1 335 . 1 1 91 91 LEU CA C 13 55.7825 0.012 . 1 . . . . A 91 LEU CA . 30286 1 336 . 1 1 91 91 LEU CB C 13 41.6205 0.012 . 1 . . . . A 91 LEU CB . 30286 1 337 . 1 1 91 91 LEU N N 15 116.7853 0.086 . 1 . . . . A 91 LEU N . 30286 1 338 . 1 1 92 92 GLY H H 1 7.3700 0.007 . 1 . . . . A 92 GLY H . 30286 1 339 . 1 1 92 92 GLY C C 13 174.2186 0.012 . 1 . . . . A 92 GLY C . 30286 1 340 . 1 1 92 92 GLY CA C 13 44.6115 0.012 . 1 . . . . A 92 GLY CA . 30286 1 341 . 1 1 92 92 GLY N N 15 102.7674 0.086 . 1 . . . . A 92 GLY N . 30286 1 342 . 1 1 93 93 LEU H H 1 7.8997 0.007 . 1 . . . . A 93 LEU H . 30286 1 343 . 1 1 93 93 LEU C C 13 174.5664 0.012 . 1 . . . . A 93 LEU C . 30286 1 344 . 1 1 93 93 LEU CA C 13 54.6901 0.012 . 1 . . . . A 93 LEU CA . 30286 1 345 . 1 1 93 93 LEU CB C 13 39.6892 0.012 . 1 . . . . A 93 LEU CB . 30286 1 346 . 1 1 93 93 LEU N N 15 124.4407 0.086 . 1 . . . . A 93 LEU N . 30286 1 347 . 1 1 94 94 ARG H H 1 7.4879 0.007 . 1 . . . . A 94 ARG H . 30286 1 348 . 1 1 94 94 ARG C C 13 173.6661 0.012 . 1 . . . . A 94 ARG C . 30286 1 349 . 1 1 94 94 ARG CA C 13 52.0342 0.012 . 1 . . . . A 94 ARG CA . 30286 1 350 . 1 1 94 94 ARG CB C 13 29.7696 0.012 . 1 . . . . A 94 ARG CB . 30286 1 351 . 1 1 94 94 ARG N N 15 120.6632 0.086 . 1 . . . . A 94 ARG N . 30286 1 352 . 1 1 96 96 ARG C C 13 175.9042 0.012 . 1 . . . . A 96 ARG C . 30286 1 353 . 1 1 96 96 ARG CA C 13 55.8778 0.012 . 1 . . . . A 96 ARG CA . 30286 1 354 . 1 1 97 97 TRP H H 1 7.4086 0.007 . 1 . . . . A 97 TRP H . 30286 1 355 . 1 1 97 97 TRP HE1 H 1 10.0612 0.007 . 1 . . . . A 97 TRP HE1 . 30286 1 356 . 1 1 97 97 TRP C C 13 176.3833 0.012 . 1 . . . . A 97 TRP C . 30286 1 357 . 1 1 97 97 TRP CA C 13 55.8785 0.012 . 1 . . . . A 97 TRP CA . 30286 1 358 . 1 1 97 97 TRP CB C 13 29.1297 0.012 . 1 . . . . A 97 TRP CB . 30286 1 359 . 1 1 97 97 TRP N N 15 120.0812 0.086 . 1 . . . . A 97 TRP N . 30286 1 360 . 1 1 97 97 TRP NE1 N 15 129.8872 0.086 . 1 . . . . A 97 TRP NE1 . 30286 1 361 . 1 1 98 98 GLY H H 1 8.1066 0.007 . 1 . . . . A 98 GLY H . 30286 1 362 . 1 1 98 98 GLY C C 13 173.9888 0.012 . 1 . . . . A 98 GLY C . 30286 1 363 . 1 1 98 98 GLY CA C 13 45.5217 0.012 . 1 . . . . A 98 GLY CA . 30286 1 364 . 1 1 98 98 GLY N N 15 108.9008 0.086 . 1 . . . . A 98 GLY N . 30286 1 365 . 1 1 99 99 VAL H H 1 7.3955 0.007 . 1 . . . . A 99 VAL H . 30286 1 366 . 1 1 99 99 VAL C C 13 175.6120 0.012 . 1 . . . . A 99 VAL C . 30286 1 367 . 1 1 99 99 VAL CA C 13 61.6717 0.012 . 1 . . . . A 99 VAL CA . 30286 1 368 . 1 1 99 99 VAL CB C 13 31.7513 0.012 . 1 . . . . A 99 VAL CB . 30286 1 369 . 1 1 99 99 VAL N N 15 117.8925 0.086 . 1 . . . . A 99 VAL N . 30286 1 370 . 1 1 100 100 SER H H 1 8.0181 0.007 . 1 . . . . A 100 SER H . 30286 1 371 . 1 1 100 100 SER C C 13 174.1220 0.012 . 1 . . . . A 100 SER C . 30286 1 372 . 1 1 100 100 SER CA C 13 57.8935 0.012 . 1 . . . . A 100 SER CA . 30286 1 373 . 1 1 100 100 SER CB C 13 62.6015 0.012 . 1 . . . . A 100 SER CB . 30286 1 374 . 1 1 100 100 SER N N 15 118.0600 0.086 . 1 . . . . A 100 SER N . 30286 1 375 . 1 1 101 101 LEU H H 1 7.7945 0.007 . 1 . . . . A 101 LEU H . 30286 1 376 . 1 1 101 101 LEU C C 13 176.3814 0.012 . 1 . . . . A 101 LEU C . 30286 1 377 . 1 1 101 101 LEU CA C 13 54.7019 0.012 . 1 . . . . A 101 LEU CA . 30286 1 378 . 1 1 101 101 LEU CB C 13 41.1433 0.012 . 1 . . . . A 101 LEU CB . 30286 1 379 . 1 1 101 101 LEU N N 15 123.7676 0.086 . 1 . . . . A 101 LEU N . 30286 1 380 . 1 1 102 102 ARG H H 1 7.8588 0.007 . 1 . . . . A 102 ARG H . 30286 1 381 . 1 1 102 102 ARG C C 13 175.5685 0.012 . 1 . . . . A 102 ARG C . 30286 1 382 . 1 1 102 102 ARG CA C 13 55.7479 0.012 . 1 . . . . A 102 ARG CA . 30286 1 383 . 1 1 102 102 ARG N N 15 120.8076 0.086 . 1 . . . . A 102 ARG N . 30286 1 384 . 1 1 103 103 TYR H H 1 7.7734 0.007 . 1 . . . . A 103 TYR H . 30286 1 385 . 1 1 103 103 TYR C C 13 175.3560 0.012 . 1 . . . . A 103 TYR C . 30286 1 386 . 1 1 103 103 TYR CA C 13 57.4098 0.012 . 1 . . . . A 103 TYR CA . 30286 1 387 . 1 1 103 103 TYR N N 15 121.1633 0.086 . 1 . . . . A 103 TYR N . 30286 1 388 . 1 1 104 104 GLU H H 1 8.0869 0.007 . 1 . . . . A 104 GLU H . 30286 1 389 . 1 1 104 104 GLU C C 13 176.5493 0.012 . 1 . . . . A 104 GLU C . 30286 1 390 . 1 1 104 104 GLU CA C 13 56.2059 0.012 . 1 . . . . A 104 GLU CA . 30286 1 391 . 1 1 104 104 GLU CB C 13 29.6871 0.012 . 1 . . . . A 104 GLU CB . 30286 1 392 . 1 1 104 104 GLU N N 15 122.7971 0.086 . 1 . . . . A 104 GLU N . 30286 1 393 . 1 1 105 105 GLY H H 1 7.7609 0.007 . 1 . . . . A 105 GLY H . 30286 1 394 . 1 1 105 105 GLY CA C 13 45.2242 0.012 . 1 . . . . A 105 GLY CA . 30286 1 395 . 1 1 105 105 GLY N N 15 108.8394 0.086 . 1 . . . . A 105 GLY N . 30286 1 396 . 1 1 108 108 SER H H 1 7.8527 0.007 . 1 . . . . A 108 SER H . 30286 1 397 . 1 1 108 108 SER C C 13 174.6519 0.012 . 1 . . . . A 108 SER C . 30286 1 398 . 1 1 108 108 SER CA C 13 58.8406 0.012 . 1 . . . . A 108 SER CA . 30286 1 399 . 1 1 108 108 SER N N 15 116.1071 0.086 . 1 . . . . A 108 SER N . 30286 1 400 . 1 1 109 109 ARG H H 1 8.0129 0.007 . 1 . . . . A 109 ARG H . 30286 1 401 . 1 1 109 109 ARG CA C 13 56.3136 0.012 . 1 . . . . A 109 ARG CA . 30286 1 402 . 1 1 109 109 ARG N N 15 122.4740 0.086 . 1 . . . . A 109 ARG N . 30286 1 403 . 1 1 110 110 PRO C C 13 176.9595 0.012 . 1 . . . . A 110 PRO C . 30286 1 404 . 1 1 110 110 PRO CA C 13 64.4130 0.012 . 1 . . . . A 110 PRO CA . 30286 1 405 . 1 1 111 111 LEU H H 1 7.5661 0.007 . 1 . . . . A 111 LEU H . 30286 1 406 . 1 1 111 111 LEU C C 13 178.7259 0.012 . 1 . . . . A 111 LEU C . 30286 1 407 . 1 1 111 111 LEU CA C 13 57.4035 0.012 . 1 . . . . A 111 LEU CA . 30286 1 408 . 1 1 111 111 LEU N N 15 118.1528 0.086 . 1 . . . . A 111 LEU N . 30286 1 409 . 1 1 112 112 GLY H H 1 8.2177 0.007 . 1 . . . . A 112 GLY H . 30286 1 410 . 1 1 112 112 GLY C C 13 174.7592 0.012 . 1 . . . . A 112 GLY C . 30286 1 411 . 1 1 112 112 GLY CA C 13 47.3113 0.012 . 1 . . . . A 112 GLY CA . 30286 1 412 . 1 1 112 112 GLY N N 15 106.3601 0.086 . 1 . . . . A 112 GLY N . 30286 1 413 . 1 1 113 113 ALA H H 1 7.6655 0.007 . 1 . . . . A 113 ALA H . 30286 1 414 . 1 1 113 113 ALA C C 13 179.2279 0.012 . 1 . . . . A 113 ALA C . 30286 1 415 . 1 1 113 113 ALA CA C 13 55.1695 0.012 . 1 . . . . A 113 ALA CA . 30286 1 416 . 1 1 113 113 ALA CB C 13 18.4901 0.012 . 1 . . . . A 113 ALA CB . 30286 1 417 . 1 1 113 113 ALA N N 15 123.4098 0.086 . 1 . . . . A 113 ALA N . 30286 1 418 . 1 1 114 114 PHE H H 1 7.7796 0.007 . 1 . . . . A 114 PHE H . 30286 1 419 . 1 1 114 114 PHE C C 13 177.1188 0.012 . 1 . . . . A 114 PHE C . 30286 1 420 . 1 1 114 114 PHE CA C 13 60.5443 0.012 . 1 . . . . A 114 PHE CA . 30286 1 421 . 1 1 114 114 PHE CB C 13 39.3452 0.012 . 1 . . . . A 114 PHE CB . 30286 1 422 . 1 1 114 114 PHE N N 15 118.4134 0.086 . 1 . . . . A 114 PHE N . 30286 1 423 . 1 1 115 115 LEU H H 1 8.3599 0.007 . 1 . . . . A 115 LEU H . 30286 1 424 . 1 1 115 115 LEU C C 13 179.5660 0.012 . 1 . . . . A 115 LEU C . 30286 1 425 . 1 1 115 115 LEU CA C 13 57.1239 0.012 . 1 . . . . A 115 LEU CA . 30286 1 426 . 1 1 115 115 LEU CB C 13 39.9349 0.012 . 1 . . . . A 115 LEU CB . 30286 1 427 . 1 1 115 115 LEU N N 15 118.2240 0.086 . 1 . . . . A 115 LEU N . 30286 1 428 . 1 1 116 116 LEU H H 1 8.3459 0.007 . 1 . . . . A 116 LEU H . 30286 1 429 . 1 1 116 116 LEU C C 13 177.8550 0.012 . 1 . . . . A 116 LEU C . 30286 1 430 . 1 1 116 116 LEU CA C 13 57.8746 0.012 . 1 . . . . A 116 LEU CA . 30286 1 431 . 1 1 116 116 LEU CB C 13 40.1286 0.012 . 1 . . . . A 116 LEU CB . 30286 1 432 . 1 1 116 116 LEU N N 15 122.6620 0.086 . 1 . . . . A 116 LEU N . 30286 1 433 . 1 1 117 117 GLY H H 1 7.9409 0.007 . 1 . . . . A 117 GLY H . 30286 1 434 . 1 1 117 117 GLY C C 13 174.4518 0.012 . 1 . . . . A 117 GLY C . 30286 1 435 . 1 1 117 117 GLY CA C 13 47.1523 0.012 . 1 . . . . A 117 GLY CA . 30286 1 436 . 1 1 117 117 GLY N N 15 107.3486 0.086 . 1 . . . . A 117 GLY N . 30286 1 437 . 1 1 118 118 ALA H H 1 7.6595 0.007 . 1 . . . . A 118 ALA H . 30286 1 438 . 1 1 118 118 ALA C C 13 178.1744 0.012 . 1 . . . . A 118 ALA C . 30286 1 439 . 1 1 118 118 ALA CA C 13 53.9835 0.012 . 1 . . . . A 118 ALA CA . 30286 1 440 . 1 1 118 118 ALA CB C 13 16.4259 0.012 . 1 . . . . A 118 ALA CB . 30286 1 441 . 1 1 118 118 ALA N N 15 122.0243 0.086 . 1 . . . . A 118 ALA N . 30286 1 442 . 1 1 119 119 THR H H 1 7.6126 0.007 . 1 . . . . A 119 THR H . 30286 1 443 . 1 1 119 119 THR C C 13 177.2681 0.012 . 1 . . . . A 119 THR C . 30286 1 444 . 1 1 119 119 THR CA C 13 66.7697 0.012 . 1 . . . . A 119 THR CA . 30286 1 445 . 1 1 119 119 THR CB C 13 67.2332 0.012 . 1 . . . . A 119 THR CB . 30286 1 446 . 1 1 119 119 THR N N 15 110.9497 0.086 . 1 . . . . A 119 THR N . 30286 1 447 . 1 1 120 120 LEU H H 1 7.9634 0.007 . 1 . . . . A 120 LEU H . 30286 1 448 . 1 1 120 120 LEU C C 13 178.0437 0.012 . 1 . . . . A 120 LEU C . 30286 1 449 . 1 1 120 120 LEU CA C 13 57.4015 0.012 . 1 . . . . A 120 LEU CA . 30286 1 450 . 1 1 120 120 LEU N N 15 120.7658 0.086 . 1 . . . . A 120 LEU N . 30286 1 451 . 1 1 121 121 ALA H H 1 7.2066 0.007 . 1 . . . . A 121 ALA H . 30286 1 452 . 1 1 121 121 ALA C C 13 180.3708 0.012 . 1 . . . . A 121 ALA C . 30286 1 453 . 1 1 121 121 ALA CA C 13 54.4879 0.012 . 1 . . . . A 121 ALA CA . 30286 1 454 . 1 1 121 121 ALA CB C 13 17.3821 0.012 . 1 . . . . A 121 ALA CB . 30286 1 455 . 1 1 121 121 ALA N N 15 118.7514 0.086 . 1 . . . . A 121 ALA N . 30286 1 456 . 1 1 122 122 LEU H H 1 7.2114 0.007 . 1 . . . . A 122 LEU H . 30286 1 457 . 1 1 122 122 LEU CA C 13 57.8276 0.012 . 1 . . . . A 122 LEU CA . 30286 1 458 . 1 1 122 122 LEU N N 15 117.2814 0.086 . 1 . . . . A 122 LEU N . 30286 1 459 . 1 1 126 126 PRO C C 13 176.0579 0.012 . 1 . . . . A 126 PRO C . 30286 1 460 . 1 1 126 126 PRO CA C 13 65.3812 0.012 . 1 . . . . A 126 PRO CA . 30286 1 461 . 1 1 127 127 CYS H H 1 7.3014 0.007 . 1 . . . . A 127 CYS H . 30286 1 462 . 1 1 127 127 CYS CA C 13 58.9243 0.012 . 1 . . . . A 127 CYS CA . 30286 1 463 . 1 1 127 127 CYS N N 15 112.2036 0.086 . 1 . . . . A 127 CYS N . 30286 1 464 . 1 1 128 128 ILE C C 13 174.6413 0.012 . 1 . . . . A 128 ILE C . 30286 1 465 . 1 1 128 128 ILE CA C 13 61.2930 0.012 . 1 . . . . A 128 ILE CA . 30286 1 466 . 1 1 129 129 GLY H H 1 7.9818 0.007 . 1 . . . . A 129 GLY H . 30286 1 467 . 1 1 129 129 GLY C C 13 174.6699 0.012 . 1 . . . . A 129 GLY C . 30286 1 468 . 1 1 129 129 GLY CA C 13 45.6659 0.012 . 1 . . . . A 129 GLY CA . 30286 1 469 . 1 1 129 129 GLY N N 15 108.4811 0.086 . 1 . . . . A 129 GLY N . 30286 1 470 . 1 1 130 130 PRO C C 13 177.9432 0.012 . 1 . . . . A 130 PRO C . 30286 1 471 . 1 1 130 130 PRO CA C 13 65.2259 0.012 . 1 . . . . A 130 PRO CA . 30286 1 472 . 1 1 131 131 ILE H H 1 7.0437 0.007 . 1 . . . . A 131 ILE H . 30286 1 473 . 1 1 131 131 ILE C C 13 178.1967 0.012 . 1 . . . . A 131 ILE C . 30286 1 474 . 1 1 131 131 ILE CA C 13 63.9519 0.012 . 1 . . . . A 131 ILE CA . 30286 1 475 . 1 1 131 131 ILE CB C 13 35.8279 0.012 . 1 . . . . A 131 ILE CB . 30286 1 476 . 1 1 131 131 ILE N N 15 115.8310 0.086 . 1 . . . . A 131 ILE N . 30286 1 477 . 1 1 132 132 LEU C C 13 178.9045 0.012 . 1 . . . . A 132 LEU C . 30286 1 478 . 1 1 132 132 LEU CA C 13 57.2634 0.012 . 1 . . . . A 132 LEU CA . 30286 1 479 . 1 1 132 132 LEU CB C 13 40.0833 0.012 . 1 . . . . A 132 LEU CB . 30286 1 480 . 1 1 133 133 GLY H H 1 8.6005 0.007 . 1 . . . . A 133 GLY H . 30286 1 481 . 1 1 133 133 GLY C C 13 175.7452 0.012 . 1 . . . . A 133 GLY C . 30286 1 482 . 1 1 133 133 GLY CA C 13 46.8960 0.012 . 1 . . . . A 133 GLY CA . 30286 1 483 . 1 1 133 133 GLY N N 15 104.6785 0.086 . 1 . . . . A 133 GLY N . 30286 1 484 . 1 1 134 134 ALA H H 1 7.4573 0.007 . 1 . . . . A 134 ALA H . 30286 1 485 . 1 1 134 134 ALA C C 13 179.2250 0.012 . 1 . . . . A 134 ALA C . 30286 1 486 . 1 1 134 134 ALA CA C 13 54.8133 0.012 . 1 . . . . A 134 ALA CA . 30286 1 487 . 1 1 134 134 ALA CB C 13 16.9495 0.012 . 1 . . . . A 134 ALA CB . 30286 1 488 . 1 1 134 134 ALA N N 15 124.8614 0.086 . 1 . . . . A 134 ALA N . 30286 1 489 . 1 1 135 135 ILE H H 1 7.7518 0.007 . 1 . . . . A 135 ILE H . 30286 1 490 . 1 1 135 135 ILE C C 13 178.9242 0.012 . 1 . . . . A 135 ILE C . 30286 1 491 . 1 1 135 135 ILE CA C 13 63.0555 0.012 . 1 . . . . A 135 ILE CA . 30286 1 492 . 1 1 135 135 ILE CB C 13 36.5582 0.012 . 1 . . . . A 135 ILE CB . 30286 1 493 . 1 1 135 135 ILE N N 15 117.7461 0.086 . 1 . . . . A 135 ILE N . 30286 1 494 . 1 1 136 136 LEU H H 1 8.4561 0.007 . 1 . . . . A 136 LEU H . 30286 1 495 . 1 1 136 136 LEU C C 13 179.0268 0.012 . 1 . . . . A 136 LEU C . 30286 1 496 . 1 1 136 136 LEU CA C 13 57.5245 0.012 . 1 . . . . A 136 LEU CA . 30286 1 497 . 1 1 136 136 LEU N N 15 121.3173 0.086 . 1 . . . . A 136 LEU N . 30286 1 498 . 1 1 137 137 THR H H 1 7.6793 0.007 . 1 . . . . A 137 THR H . 30286 1 499 . 1 1 137 137 THR C C 13 175.8673 0.012 . 1 . . . . A 137 THR C . 30286 1 500 . 1 1 137 137 THR CA C 13 66.1763 0.012 . 1 . . . . A 137 THR CA . 30286 1 501 . 1 1 137 137 THR N N 15 114.9977 0.086 . 1 . . . . A 137 THR N . 30286 1 502 . 1 1 138 138 LEU H H 1 7.7121 0.007 . 1 . . . . A 138 LEU H . 30286 1 503 . 1 1 138 138 LEU C C 13 178.4759 0.012 . 1 . . . . A 138 LEU C . 30286 1 504 . 1 1 138 138 LEU CA C 13 56.8101 0.012 . 1 . . . . A 138 LEU CA . 30286 1 505 . 1 1 138 138 LEU CB C 13 40.7385 0.012 . 1 . . . . A 138 LEU CB . 30286 1 506 . 1 1 138 138 LEU N N 15 120.6496 0.086 . 1 . . . . A 138 LEU N . 30286 1 507 . 1 1 139 139 THR C C 13 175.4174 0.012 . 1 . . . . A 139 THR C . 30286 1 508 . 1 1 139 139 THR CA C 13 64.1859 0.012 . 1 . . . . A 139 THR CA . 30286 1 509 . 1 1 140 140 ALA H H 1 7.7073 0.007 . 1 . . . . A 140 ALA H . 30286 1 510 . 1 1 140 140 ALA C C 13 178.4423 0.012 . 1 . . . . A 140 ALA C . 30286 1 511 . 1 1 140 140 ALA CA C 13 53.6654 0.012 . 1 . . . . A 140 ALA CA . 30286 1 512 . 1 1 140 140 ALA CB C 13 17.7375 0.012 . 1 . . . . A 140 ALA CB . 30286 1 513 . 1 1 140 140 ALA N N 15 123.4936 0.086 . 1 . . . . A 140 ALA N . 30286 1 514 . 1 1 141 141 VAL H H 1 7.6381 0.007 . 1 . . . . A 141 VAL H . 30286 1 515 . 1 1 141 141 VAL C C 13 176.4464 0.012 . 1 . . . . A 141 VAL C . 30286 1 516 . 1 1 141 141 VAL CA C 13 62.2760 0.012 . 1 . . . . A 141 VAL CA . 30286 1 517 . 1 1 141 141 VAL CB C 13 30.4860 0.012 . 1 . . . . A 141 VAL CB . 30286 1 518 . 1 1 141 141 VAL N N 15 114.0997 0.086 . 1 . . . . A 141 VAL N . 30286 1 519 . 1 1 142 142 GLY C C 13 174.6910 0.012 . 1 . . . . A 142 GLY C . 30286 1 520 . 1 1 142 142 GLY CA C 13 45.2540 0.012 . 1 . . . . A 142 GLY CA . 30286 1 521 . 1 1 143 143 GLY H H 1 8.0032 0.007 . 1 . . . . A 143 GLY H . 30286 1 522 . 1 1 143 143 GLY C C 13 174.6117 0.012 . 1 . . . . A 143 GLY C . 30286 1 523 . 1 1 143 143 GLY CA C 13 45.6585 0.012 . 1 . . . . A 143 GLY CA . 30286 1 524 . 1 1 143 143 GLY N N 15 108.6766 0.086 . 1 . . . . A 143 GLY N . 30286 1 525 . 1 1 144 144 GLY H H 1 8.0452 0.007 . 1 . . . . A 144 GLY H . 30286 1 526 . 1 1 144 144 GLY C C 13 174.6733 0.012 . 1 . . . . A 144 GLY C . 30286 1 527 . 1 1 144 144 GLY CA C 13 45.2723 0.012 . 1 . . . . A 144 GLY CA . 30286 1 528 . 1 1 144 144 GLY N N 15 107.8452 0.086 . 1 . . . . A 144 GLY N . 30286 1 529 . 1 1 145 145 VAL H H 1 8.4480 0.007 . 1 . . . . A 145 VAL H . 30286 1 530 . 1 1 145 145 VAL C C 13 177.0832 0.012 . 1 . . . . A 145 VAL C . 30286 1 531 . 1 1 145 145 VAL CA C 13 64.6352 0.012 . 1 . . . . A 145 VAL CA . 30286 1 532 . 1 1 145 145 VAL CB C 13 30.3309 0.012 . 1 . . . . A 145 VAL CB . 30286 1 533 . 1 1 145 145 VAL N N 15 118.3496 0.086 . 1 . . . . A 145 VAL N . 30286 1 534 . 1 1 146 146 GLY H H 1 8.7169 0.007 . 1 . . . . A 146 GLY H . 30286 1 535 . 1 1 146 146 GLY C C 13 174.5292 0.012 . 1 . . . . A 146 GLY C . 30286 1 536 . 1 1 146 146 GLY CA C 13 47.2806 0.012 . 1 . . . . A 146 GLY CA . 30286 1 537 . 1 1 146 146 GLY N N 15 109.0020 0.086 . 1 . . . . A 146 GLY N . 30286 1 538 . 1 1 147 147 PHE H H 1 7.2948 0.007 . 1 . . . . A 147 PHE H . 30286 1 539 . 1 1 147 147 PHE C C 13 176.5508 0.012 . 1 . . . . A 147 PHE C . 30286 1 540 . 1 1 147 147 PHE CA C 13 61.3842 0.012 . 1 . . . . A 147 PHE CA . 30286 1 541 . 1 1 147 147 PHE CB C 13 38.1662 0.012 . 1 . . . . A 147 PHE CB . 30286 1 542 . 1 1 147 147 PHE N N 15 119.1395 0.086 . 1 . . . . A 147 PHE N . 30286 1 543 . 1 1 148 148 LEU H H 1 7.2646 0.007 . 1 . . . . A 148 LEU H . 30286 1 544 . 1 1 148 148 LEU C C 13 178.4577 0.012 . 1 . . . . A 148 LEU C . 30286 1 545 . 1 1 148 148 LEU CA C 13 57.3914 0.012 . 1 . . . . A 148 LEU CA . 30286 1 546 . 1 1 148 148 LEU CB C 13 40.5215 0.012 . 1 . . . . A 148 LEU CB . 30286 1 547 . 1 1 148 148 LEU N N 15 118.7845 0.086 . 1 . . . . A 148 LEU N . 30286 1 548 . 1 1 149 149 LEU H H 1 8.1527 0.007 . 1 . . . . A 149 LEU H . 30286 1 549 . 1 1 149 149 LEU C C 13 177.8987 0.012 . 1 . . . . A 149 LEU C . 30286 1 550 . 1 1 149 149 LEU CA C 13 57.7315 0.012 . 1 . . . . A 149 LEU CA . 30286 1 551 . 1 1 149 149 LEU CB C 13 40.6239 0.012 . 1 . . . . A 149 LEU CB . 30286 1 552 . 1 1 149 149 LEU N N 15 117.4823 0.086 . 1 . . . . A 149 LEU N . 30286 1 553 . 1 1 150 150 ALA H H 1 8.2177 0.007 . 1 . . . . A 150 ALA H . 30286 1 554 . 1 1 150 150 ALA C C 13 178.4306 0.012 . 1 . . . . A 150 ALA C . 30286 1 555 . 1 1 150 150 ALA CA C 13 55.4978 0.012 . 1 . . . . A 150 ALA CA . 30286 1 556 . 1 1 150 150 ALA CB C 13 17.8668 0.012 . 1 . . . . A 150 ALA CB . 30286 1 557 . 1 1 150 150 ALA N N 15 120.4773 0.086 . 1 . . . . A 150 ALA N . 30286 1 558 . 1 1 151 151 TYR H H 1 7.6485 0.007 . 1 . . . . A 151 TYR H . 30286 1 559 . 1 1 151 151 TYR C C 13 177.0197 0.012 . 1 . . . . A 151 TYR C . 30286 1 560 . 1 1 151 151 TYR CA C 13 61.4742 0.012 . 1 . . . . A 151 TYR CA . 30286 1 561 . 1 1 151 151 TYR CB C 13 37.8763 0.012 . 1 . . . . A 151 TYR CB . 30286 1 562 . 1 1 151 151 TYR N N 15 118.0386 0.086 . 1 . . . . A 151 TYR N . 30286 1 563 . 1 1 152 152 ILE H H 1 8.1040 0.007 . 1 . . . . A 152 ILE H . 30286 1 564 . 1 1 152 152 ILE C C 13 177.6136 0.012 . 1 . . . . A 152 ILE C . 30286 1 565 . 1 1 152 152 ILE CA C 13 65.0137 0.012 . 1 . . . . A 152 ILE CA . 30286 1 566 . 1 1 152 152 ILE CB C 13 37.1252 0.012 . 1 . . . . A 152 ILE CB . 30286 1 567 . 1 1 152 152 ILE N N 15 117.8564 0.086 . 1 . . . . A 152 ILE N . 30286 1 568 . 1 1 153 153 LEU H H 1 8.4013 0.007 . 1 . . . . A 153 LEU H . 30286 1 569 . 1 1 153 153 LEU C C 13 177.7956 0.012 . 1 . . . . A 153 LEU C . 30286 1 570 . 1 1 153 153 LEU CA C 13 57.5081 0.012 . 1 . . . . A 153 LEU CA . 30286 1 571 . 1 1 153 153 LEU CB C 13 40.2974 0.012 . 1 . . . . A 153 LEU CB . 30286 1 572 . 1 1 153 153 LEU N N 15 119.2460 0.086 . 1 . . . . A 153 LEU N . 30286 1 573 . 1 1 154 154 GLY H H 1 7.9730 0.007 . 1 . . . . A 154 GLY H . 30286 1 574 . 1 1 154 154 GLY C C 13 173.5072 0.012 . 1 . . . . A 154 GLY C . 30286 1 575 . 1 1 154 154 GLY CA C 13 47.2215 0.012 . 1 . . . . A 154 GLY CA . 30286 1 576 . 1 1 154 154 GLY N N 15 107.6081 0.086 . 1 . . . . A 154 GLY N . 30286 1 577 . 1 1 155 155 LEU H H 1 7.1761 0.007 . 1 . . . . A 155 LEU H . 30286 1 578 . 1 1 155 155 LEU C C 13 177.7534 0.012 . 1 . . . . A 155 LEU C . 30286 1 579 . 1 1 155 155 LEU CA C 13 56.6686 0.012 . 1 . . . . A 155 LEU CA . 30286 1 580 . 1 1 155 155 LEU N N 15 120.1007 0.086 . 1 . . . . A 155 LEU N . 30286 1 581 . 1 1 156 156 ALA H H 1 8.2754 0.007 . 1 . . . . A 156 ALA H . 30286 1 582 . 1 1 156 156 ALA C C 13 179.9870 0.012 . 1 . . . . A 156 ALA C . 30286 1 583 . 1 1 156 156 ALA CA C 13 54.4975 0.012 . 1 . . . . A 156 ALA CA . 30286 1 584 . 1 1 156 156 ALA CB C 13 18.2410 0.012 . 1 . . . . A 156 ALA CB . 30286 1 585 . 1 1 156 156 ALA N N 15 116.5656 0.086 . 1 . . . . A 156 ALA N . 30286 1 586 . 1 1 157 157 VAL H H 1 8.0194 0.007 . 1 . . . . A 157 VAL H . 30286 1 587 . 1 1 157 157 VAL CA C 13 69.1525 0.012 . 1 . . . . A 157 VAL CA . 30286 1 588 . 1 1 157 157 VAL CB C 13 28.6816 0.012 . 1 . . . . A 157 VAL CB . 30286 1 589 . 1 1 157 157 VAL N N 15 116.3307 0.086 . 1 . . . . A 157 VAL N . 30286 1 590 . 1 1 158 158 PRO C C 13 177.7909 0.012 . 1 . . . . A 158 PRO C . 30286 1 591 . 1 1 158 158 PRO CA C 13 65.5256 0.012 . 1 . . . . A 158 PRO CA . 30286 1 592 . 1 1 158 158 PRO CB C 13 28.1985 0.012 . 1 . . . . A 158 PRO CB . 30286 1 593 . 1 1 159 159 PHE H H 1 6.6732 0.007 . 1 . . . . A 159 PHE H . 30286 1 594 . 1 1 159 159 PHE C C 13 180.2506 0.012 . 1 . . . . A 159 PHE C . 30286 1 595 . 1 1 159 159 PHE CA C 13 63.2079 0.012 . 1 . . . . A 159 PHE CA . 30286 1 596 . 1 1 159 159 PHE CB C 13 37.4200 0.012 . 1 . . . . A 159 PHE CB . 30286 1 597 . 1 1 159 159 PHE N N 15 113.4083 0.086 . 1 . . . . A 159 PHE N . 30286 1 598 . 1 1 160 160 PHE H H 1 8.7600 0.007 . 1 . . . . A 160 PHE H . 30286 1 599 . 1 1 160 160 PHE C C 13 176.7638 0.012 . 1 . . . . A 160 PHE C . 30286 1 600 . 1 1 160 160 PHE CA C 13 61.5010 0.012 . 1 . . . . A 160 PHE CA . 30286 1 601 . 1 1 160 160 PHE N N 15 124.6293 0.086 . 1 . . . . A 160 PHE N . 30286 1 602 . 1 1 161 161 VAL H H 1 8.3214 0.007 . 1 . . . . A 161 VAL H . 30286 1 603 . 1 1 161 161 VAL C C 13 177.8486 0.012 . 1 . . . . A 161 VAL C . 30286 1 604 . 1 1 161 161 VAL CA C 13 66.7616 0.012 . 1 . . . . A 161 VAL CA . 30286 1 605 . 1 1 161 161 VAL CB C 13 29.9006 0.012 . 1 . . . . A 161 VAL CB . 30286 1 606 . 1 1 161 161 VAL N N 15 118.6199 0.086 . 1 . . . . A 161 VAL N . 30286 1 607 . 1 1 162 162 VAL H H 1 8.0274 0.007 . 1 . . . . A 162 VAL H . 30286 1 608 . 1 1 162 162 VAL C C 13 177.0788 0.012 . 1 . . . . A 162 VAL C . 30286 1 609 . 1 1 162 162 VAL CA C 13 66.5616 0.012 . 1 . . . . A 162 VAL CA . 30286 1 610 . 1 1 162 162 VAL CB C 13 29.9453 0.012 . 1 . . . . A 162 VAL CB . 30286 1 611 . 1 1 162 162 VAL N N 15 117.0018 0.086 . 1 . . . . A 162 VAL N . 30286 1 612 . 1 1 163 163 ALA H H 1 7.3842 0.007 . 1 . . . . A 163 ALA H . 30286 1 613 . 1 1 163 163 ALA C C 13 179.2892 0.012 . 1 . . . . A 163 ALA C . 30286 1 614 . 1 1 163 163 ALA CA C 13 54.6608 0.012 . 1 . . . . A 163 ALA CA . 30286 1 615 . 1 1 163 163 ALA CB C 13 17.2919 0.012 . 1 . . . . A 163 ALA CB . 30286 1 616 . 1 1 163 163 ALA N N 15 120.2859 0.086 . 1 . . . . A 163 ALA N . 30286 1 617 . 1 1 164 164 LEU H H 1 7.8089 0.007 . 1 . . . . A 164 LEU H . 30286 1 618 . 1 1 164 164 LEU C C 13 178.7054 0.012 . 1 . . . . A 164 LEU C . 30286 1 619 . 1 1 164 164 LEU CA C 13 57.2848 0.012 . 1 . . . . A 164 LEU CA . 30286 1 620 . 1 1 164 164 LEU CB C 13 41.0191 0.012 . 1 . . . . A 164 LEU CB . 30286 1 621 . 1 1 164 164 LEU N N 15 118.6692 0.086 . 1 . . . . A 164 LEU N . 30286 1 622 . 1 1 165 165 PHE H H 1 7.5955 0.007 . 1 . . . . A 165 PHE H . 30286 1 623 . 1 1 165 165 PHE C C 13 176.8796 0.012 . 1 . . . . A 165 PHE C . 30286 1 624 . 1 1 165 165 PHE CA C 13 58.5464 0.012 . 1 . . . . A 165 PHE CA . 30286 1 625 . 1 1 165 165 PHE CB C 13 39.1527 0.012 . 1 . . . . A 165 PHE CB . 30286 1 626 . 1 1 165 165 PHE N N 15 116.5598 0.086 . 1 . . . . A 165 PHE N . 30286 1 627 . 1 1 166 166 ALA H H 1 7.7531 0.007 . 1 . . . . A 166 ALA H . 30286 1 628 . 1 1 166 166 ALA C C 13 178.7656 0.012 . 1 . . . . A 166 ALA C . 30286 1 629 . 1 1 166 166 ALA CA C 13 55.4587 0.012 . 1 . . . . A 166 ALA CA . 30286 1 630 . 1 1 166 166 ALA N N 15 122.8083 0.086 . 1 . . . . A 166 ALA N . 30286 1 631 . 1 1 167 167 ASP H H 1 8.3128 0.007 . 1 . . . . A 167 ASP H . 30286 1 632 . 1 1 167 167 ASP C C 13 178.8437 0.012 . 1 . . . . A 167 ASP C . 30286 1 633 . 1 1 167 167 ASP CA C 13 57.3306 0.012 . 1 . . . . A 167 ASP CA . 30286 1 634 . 1 1 167 167 ASP CB C 13 40.3028 0.012 . 1 . . . . A 167 ASP CB . 30286 1 635 . 1 1 167 167 ASP N N 15 116.7160 0.086 . 1 . . . . A 167 ASP N . 30286 1 636 . 1 1 168 168 ARG H H 1 7.5897 0.007 . 1 . . . . A 168 ARG H . 30286 1 637 . 1 1 168 168 ARG C C 13 178.9248 0.012 . 1 . . . . A 168 ARG C . 30286 1 638 . 1 1 168 168 ARG CA C 13 57.5386 0.012 . 1 . . . . A 168 ARG CA . 30286 1 639 . 1 1 168 168 ARG N N 15 119.1230 0.086 . 1 . . . . A 168 ARG N . 30286 1 640 . 1 1 169 169 ILE H H 1 7.7324 0.007 . 1 . . . . A 169 ILE H . 30286 1 641 . 1 1 169 169 ILE C C 13 177.4293 0.012 . 1 . . . . A 169 ILE C . 30286 1 642 . 1 1 169 169 ILE CA C 13 63.5403 0.012 . 1 . . . . A 169 ILE CA . 30286 1 643 . 1 1 169 169 ILE N N 15 117.7498 0.086 . 1 . . . . A 169 ILE N . 30286 1 644 . 1 1 170 170 LYS H H 1 8.0551 0.007 . 1 . . . . A 170 LYS H . 30286 1 645 . 1 1 170 170 LYS C C 13 178.7748 0.012 . 1 . . . . A 170 LYS C . 30286 1 646 . 1 1 170 170 LYS CA C 13 59.8306 0.012 . 1 . . . . A 170 LYS CA . 30286 1 647 . 1 1 170 170 LYS CB C 13 31.0315 0.012 . 1 . . . . A 170 LYS CB . 30286 1 648 . 1 1 170 170 LYS N N 15 120.6217 0.086 . 1 . . . . A 170 LYS N . 30286 1 649 . 1 1 171 171 GLY H H 1 7.9078 0.007 . 1 . . . . A 171 GLY H . 30286 1 650 . 1 1 171 171 GLY C C 13 176.0307 0.012 . 1 . . . . A 171 GLY C . 30286 1 651 . 1 1 171 171 GLY CA C 13 46.7264 0.012 . 1 . . . . A 171 GLY CA . 30286 1 652 . 1 1 171 171 GLY N N 15 106.0444 0.086 . 1 . . . . A 171 GLY N . 30286 1 653 . 1 1 172 172 TRP H H 1 7.7467 0.007 . 1 . . . . A 172 TRP H . 30286 1 654 . 1 1 172 172 TRP HE1 H 1 10.1408 0.007 . 1 . . . . A 172 TRP HE1 . 30286 1 655 . 1 1 172 172 TRP C C 13 178.2740 0.012 . 1 . . . . A 172 TRP C . 30286 1 656 . 1 1 172 172 TRP CA C 13 59.8198 0.012 . 1 . . . . A 172 TRP CA . 30286 1 657 . 1 1 172 172 TRP CB C 13 27.9356 0.012 . 1 . . . . A 172 TRP CB . 30286 1 658 . 1 1 172 172 TRP N N 15 123.1156 0.086 . 1 . . . . A 172 TRP N . 30286 1 659 . 1 1 172 172 TRP NE1 N 15 129.9047 0.086 . 1 . . . . A 172 TRP NE1 . 30286 1 660 . 1 1 173 173 LEU H H 1 8.1283 0.007 . 1 . . . . A 173 LEU H . 30286 1 661 . 1 1 173 173 LEU C C 13 178.9275 0.012 . 1 . . . . A 173 LEU C . 30286 1 662 . 1 1 173 173 LEU CA C 13 56.8873 0.012 . 1 . . . . A 173 LEU CA . 30286 1 663 . 1 1 173 173 LEU CB C 13 40.4249 0.012 . 1 . . . . A 173 LEU CB . 30286 1 664 . 1 1 173 173 LEU N N 15 118.2704 0.086 . 1 . . . . A 173 LEU N . 30286 1 665 . 1 1 174 174 ARG H H 1 7.7374 0.007 . 1 . . . . A 174 ARG H . 30286 1 666 . 1 1 174 174 ARG C C 13 178.0502 0.012 . 1 . . . . A 174 ARG C . 30286 1 667 . 1 1 174 174 ARG CA C 13 58.1464 0.012 . 1 . . . . A 174 ARG CA . 30286 1 668 . 1 1 174 174 ARG CB C 13 29.3187 0.012 . 1 . . . . A 174 ARG CB . 30286 1 669 . 1 1 174 174 ARG N N 15 117.6645 0.086 . 1 . . . . A 174 ARG N . 30286 1 670 . 1 1 175 175 ARG H H 1 7.4454 0.007 . 1 . . . . A 175 ARG H . 30286 1 671 . 1 1 175 175 ARG C C 13 176.6143 0.012 . 1 . . . . A 175 ARG C . 30286 1 672 . 1 1 175 175 ARG CA C 13 56.3988 0.012 . 1 . . . . A 175 ARG CA . 30286 1 673 . 1 1 175 175 ARG CB C 13 29.6342 0.012 . 1 . . . . A 175 ARG CB . 30286 1 674 . 1 1 175 175 ARG N N 15 117.8649 0.086 . 1 . . . . A 175 ARG N . 30286 1 675 . 1 1 176 176 ALA H H 1 7.4853 0.007 . 1 . . . . A 176 ALA H . 30286 1 676 . 1 1 176 176 ALA C C 13 177.8208 0.012 . 1 . . . . A 176 ALA C . 30286 1 677 . 1 1 176 176 ALA CA C 13 52.0857 0.012 . 1 . . . . A 176 ALA CA . 30286 1 678 . 1 1 176 176 ALA CB C 13 17.2945 0.012 . 1 . . . . A 176 ALA CB . 30286 1 679 . 1 1 176 176 ALA N N 15 122.3521 0.086 . 1 . . . . A 176 ALA N . 30286 1 680 . 1 1 177 177 GLY H H 1 7.7378 0.007 . 1 . . . . A 177 GLY H . 30286 1 681 . 1 1 177 177 GLY CA C 13 45.9740 0.012 . 1 . . . . A 177 GLY CA . 30286 1 682 . 1 1 177 177 GLY N N 15 106.7405 0.086 . 1 . . . . A 177 GLY N . 30286 1 683 . 1 1 178 178 ARG C C 13 177.3783 0.012 . 1 . . . . A 178 ARG C . 30286 1 684 . 1 1 178 178 ARG CA C 13 57.7740 0.012 . 1 . . . . A 178 ARG CA . 30286 1 685 . 1 1 179 179 ILE H H 1 7.7071 0.007 . 1 . . . . A 179 ILE H . 30286 1 686 . 1 1 179 179 ILE C C 13 177.2137 0.012 . 1 . . . . A 179 ILE C . 30286 1 687 . 1 1 179 179 ILE CA C 13 62.9126 0.012 . 1 . . . . A 179 ILE CA . 30286 1 688 . 1 1 179 179 ILE CB C 13 37.5034 0.012 . 1 . . . . A 179 ILE CB . 30286 1 689 . 1 1 179 179 ILE N N 15 117.0646 0.086 . 1 . . . . A 179 ILE N . 30286 1 690 . 1 1 180 180 SER H H 1 7.8613 0.007 . 1 . . . . A 180 SER H . 30286 1 691 . 1 1 180 180 SER CA C 13 61.3632 0.012 . 1 . . . . A 180 SER CA . 30286 1 692 . 1 1 180 180 SER N N 15 115.7180 0.086 . 1 . . . . A 180 SER N . 30286 1 693 . 1 1 181 181 HIS C C 13 176.6872 0.012 . 1 . . . . A 181 HIS C . 30286 1 694 . 1 1 181 181 HIS CA C 13 57.5882 0.012 . 1 . . . . A 181 HIS CA . 30286 1 695 . 1 1 181 181 HIS CB C 13 27.8990 0.012 . 1 . . . . A 181 HIS CB . 30286 1 696 . 1 1 182 182 TYR H H 1 7.5997 0.007 . 1 . . . . A 182 TYR H . 30286 1 697 . 1 1 182 182 TYR C C 13 177.4779 0.012 . 1 . . . . A 182 TYR C . 30286 1 698 . 1 1 182 182 TYR CA C 13 59.6540 0.012 . 1 . . . . A 182 TYR CA . 30286 1 699 . 1 1 182 182 TYR CB C 13 36.7070 0.012 . 1 . . . . A 182 TYR CB . 30286 1 700 . 1 1 182 182 TYR N N 15 117.1269 0.086 . 1 . . . . A 182 TYR N . 30286 1 701 . 1 1 183 183 VAL H H 1 7.7371 0.007 . 1 . . . . A 183 VAL H . 30286 1 702 . 1 1 183 183 VAL C C 13 176.7258 0.012 . 1 . . . . A 183 VAL C . 30286 1 703 . 1 1 183 183 VAL CA C 13 66.3412 0.012 . 1 . . . . A 183 VAL CA . 30286 1 704 . 1 1 183 183 VAL N N 15 117.7664 0.086 . 1 . . . . A 183 VAL N . 30286 1 705 . 1 1 184 184 GLU H H 1 7.7637 0.007 . 1 . . . . A 184 GLU H . 30286 1 706 . 1 1 184 184 GLU C C 13 178.0066 0.012 . 1 . . . . A 184 GLU C . 30286 1 707 . 1 1 184 184 GLU CA C 13 59.7510 0.012 . 1 . . . . A 184 GLU CA . 30286 1 708 . 1 1 184 184 GLU CB C 13 28.6925 0.012 . 1 . . . . A 184 GLU CB . 30286 1 709 . 1 1 184 184 GLU N N 15 119.8801 0.086 . 1 . . . . A 184 GLU N . 30286 1 710 . 1 1 185 185 VAL H H 1 7.3942 0.007 . 1 . . . . A 185 VAL H . 30286 1 711 . 1 1 185 185 VAL C C 13 177.5651 0.012 . 1 . . . . A 185 VAL C . 30286 1 712 . 1 1 185 185 VAL CA C 13 65.5024 0.012 . 1 . . . . A 185 VAL CA . 30286 1 713 . 1 1 185 185 VAL CB C 13 30.1532 0.012 . 1 . . . . A 185 VAL CB . 30286 1 714 . 1 1 185 185 VAL N N 15 117.4440 0.086 . 1 . . . . A 185 VAL N . 30286 1 715 . 1 1 186 186 LEU H H 1 7.9216 0.007 . 1 . . . . A 186 LEU H . 30286 1 716 . 1 1 186 186 LEU C C 13 177.8940 0.012 . 1 . . . . A 186 LEU C . 30286 1 717 . 1 1 186 186 LEU CA C 13 57.8793 0.012 . 1 . . . . A 186 LEU CA . 30286 1 718 . 1 1 186 186 LEU CB C 13 40.1650 0.012 . 1 . . . . A 186 LEU CB . 30286 1 719 . 1 1 186 186 LEU N N 15 119.5134 0.086 . 1 . . . . A 186 LEU N . 30286 1 720 . 1 1 187 187 ALA H H 1 8.2022 0.007 . 1 . . . . A 187 ALA H . 30286 1 721 . 1 1 187 187 ALA C C 13 179.1871 0.012 . 1 . . . . A 187 ALA C . 30286 1 722 . 1 1 187 187 ALA CA C 13 55.1328 0.012 . 1 . . . . A 187 ALA CA . 30286 1 723 . 1 1 187 187 ALA CB C 13 17.0386 0.012 . 1 . . . . A 187 ALA CB . 30286 1 724 . 1 1 187 187 ALA N N 15 119.2656 0.086 . 1 . . . . A 187 ALA N . 30286 1 725 . 1 1 188 188 GLY H H 1 8.0203 0.007 . 1 . . . . A 188 GLY H . 30286 1 726 . 1 1 188 188 GLY C C 13 174.8172 0.012 . 1 . . . . A 188 GLY C . 30286 1 727 . 1 1 188 188 GLY CA C 13 47.9240 0.012 . 1 . . . . A 188 GLY CA . 30286 1 728 . 1 1 188 188 GLY N N 15 104.3575 0.086 . 1 . . . . A 188 GLY N . 30286 1 729 . 1 1 189 189 VAL H H 1 8.2470 0.007 . 1 . . . . A 189 VAL H . 30286 1 730 . 1 1 189 189 VAL C C 13 177.5526 0.012 . 1 . . . . A 189 VAL C . 30286 1 731 . 1 1 189 189 VAL CA C 13 66.7420 0.012 . 1 . . . . A 189 VAL CA . 30286 1 732 . 1 1 189 189 VAL CB C 13 30.0835 0.012 . 1 . . . . A 189 VAL CB . 30286 1 733 . 1 1 189 189 VAL N N 15 120.6300 0.086 . 1 . . . . A 189 VAL N . 30286 1 734 . 1 1 190 190 VAL H H 1 8.0736 0.007 . 1 . . . . A 190 VAL H . 30286 1 735 . 1 1 190 190 VAL C C 13 177.1469 0.012 . 1 . . . . A 190 VAL C . 30286 1 736 . 1 1 190 190 VAL CA C 13 67.1502 0.012 . 1 . . . . A 190 VAL CA . 30286 1 737 . 1 1 190 190 VAL CB C 13 29.7717 0.012 . 1 . . . . A 190 VAL CB . 30286 1 738 . 1 1 190 190 VAL N N 15 118.4760 0.086 . 1 . . . . A 190 VAL N . 30286 1 739 . 1 1 191 191 LEU H H 1 7.9073 0.007 . 1 . . . . A 191 LEU H . 30286 1 740 . 1 1 191 191 LEU C C 13 178.8233 0.012 . 1 . . . . A 191 LEU C . 30286 1 741 . 1 1 191 191 LEU CA C 13 58.6359 0.012 . 1 . . . . A 191 LEU CA . 30286 1 742 . 1 1 191 191 LEU N N 15 119.4498 0.086 . 1 . . . . A 191 LEU N . 30286 1 743 . 1 1 192 192 VAL H H 1 7.8443 0.007 . 1 . . . . A 192 VAL H . 30286 1 744 . 1 1 192 192 VAL C C 13 177.4348 0.012 . 1 . . . . A 192 VAL C . 30286 1 745 . 1 1 192 192 VAL CA C 13 66.7302 0.012 . 1 . . . . A 192 VAL CA . 30286 1 746 . 1 1 192 192 VAL CB C 13 30.1577 0.012 . 1 . . . . A 192 VAL CB . 30286 1 747 . 1 1 192 192 VAL N N 15 116.8188 0.086 . 1 . . . . A 192 VAL N . 30286 1 748 . 1 1 193 193 LEU H H 1 8.1216 0.007 . 1 . . . . A 193 LEU H . 30286 1 749 . 1 1 193 193 LEU C C 13 178.7201 0.012 . 1 . . . . A 193 LEU C . 30286 1 750 . 1 1 193 193 LEU CA C 13 58.3362 0.012 . 1 . . . . A 193 LEU CA . 30286 1 751 . 1 1 193 193 LEU CB C 13 40.5751 0.012 . 1 . . . . A 193 LEU CB . 30286 1 752 . 1 1 193 193 LEU N N 15 118.5218 0.086 . 1 . . . . A 193 LEU N . 30286 1 753 . 1 1 194 194 VAL H H 1 8.7862 0.007 . 1 . . . . A 194 VAL H . 30286 1 754 . 1 1 194 194 VAL C C 13 178.0977 0.012 . 1 . . . . A 194 VAL C . 30286 1 755 . 1 1 194 194 VAL CA C 13 66.7912 0.012 . 1 . . . . A 194 VAL CA . 30286 1 756 . 1 1 194 194 VAL CB C 13 30.1682 0.012 . 1 . . . . A 194 VAL CB . 30286 1 757 . 1 1 194 194 VAL N N 15 117.7925 0.086 . 1 . . . . A 194 VAL N . 30286 1 758 . 1 1 195 195 GLY H H 1 8.5790 0.007 . 1 . . . . A 195 GLY H . 30286 1 759 . 1 1 195 195 GLY C C 13 175.7516 0.012 . 1 . . . . A 195 GLY C . 30286 1 760 . 1 1 195 195 GLY CA C 13 48.7768 0.012 . 1 . . . . A 195 GLY CA . 30286 1 761 . 1 1 195 195 GLY N N 15 108.5441 0.086 . 1 . . . . A 195 GLY N . 30286 1 762 . 1 1 196 196 VAL H H 1 8.4514 0.007 . 1 . . . . A 196 VAL H . 30286 1 763 . 1 1 196 196 VAL C C 13 179.3075 0.012 . 1 . . . . A 196 VAL C . 30286 1 764 . 1 1 196 196 VAL CA C 13 66.6970 0.012 . 1 . . . . A 196 VAL CA . 30286 1 765 . 1 1 196 196 VAL CB C 13 30.1518 0.012 . 1 . . . . A 196 VAL CB . 30286 1 766 . 1 1 196 196 VAL N N 15 121.5350 0.086 . 1 . . . . A 196 VAL N . 30286 1 767 . 1 1 197 197 LEU H H 1 8.3052 0.007 . 1 . . . . A 197 LEU H . 30286 1 768 . 1 1 197 197 LEU C C 13 179.5142 0.012 . 1 . . . . A 197 LEU C . 30286 1 769 . 1 1 197 197 LEU CA C 13 58.0763 0.012 . 1 . . . . A 197 LEU CA . 30286 1 770 . 1 1 197 197 LEU CB C 13 39.7248 0.012 . 1 . . . . A 197 LEU CB . 30286 1 771 . 1 1 197 197 LEU N N 15 122.9637 0.086 . 1 . . . . A 197 LEU N . 30286 1 772 . 1 1 198 198 LEU H H 1 8.5853 0.007 . 1 . . . . A 198 LEU H . 30286 1 773 . 1 1 198 198 LEU C C 13 179.3700 0.012 . 1 . . . . A 198 LEU C . 30286 1 774 . 1 1 198 198 LEU CA C 13 57.8810 0.012 . 1 . . . . A 198 LEU CA . 30286 1 775 . 1 1 198 198 LEU CB C 13 40.4838 0.012 . 1 . . . . A 198 LEU CB . 30286 1 776 . 1 1 198 198 LEU N N 15 121.1154 0.086 . 1 . . . . A 198 LEU N . 30286 1 777 . 1 1 199 199 PHE H H 1 8.6762 0.007 . 1 . . . . A 199 PHE H . 30286 1 778 . 1 1 199 199 PHE C C 13 177.0377 0.012 . 1 . . . . A 199 PHE C . 30286 1 779 . 1 1 199 199 PHE CA C 13 61.2819 0.012 . 1 . . . . A 199 PHE CA . 30286 1 780 . 1 1 199 199 PHE CB C 13 39.7963 0.012 . 1 . . . . A 199 PHE CB . 30286 1 781 . 1 1 199 199 PHE N N 15 119.0744 0.086 . 1 . . . . A 199 PHE N . 30286 1 782 . 1 1 200 200 THR H H 1 8.0648 0.007 . 1 . . . . A 200 THR H . 30286 1 783 . 1 1 200 200 THR C C 13 175.7020 0.012 . 1 . . . . A 200 THR C . 30286 1 784 . 1 1 200 200 THR CA C 13 62.5503 0.012 . 1 . . . . A 200 THR CA . 30286 1 785 . 1 1 200 200 THR N N 15 105.4852 0.086 . 1 . . . . A 200 THR N . 30286 1 786 . 1 1 201 201 GLY H H 1 7.7783 0.007 . 1 . . . . A 201 GLY H . 30286 1 787 . 1 1 201 201 GLY C C 13 175.1615 0.012 . 1 . . . . A 201 GLY C . 30286 1 788 . 1 1 201 201 GLY CA C 13 45.8701 0.012 . 1 . . . . A 201 GLY CA . 30286 1 789 . 1 1 201 201 GLY N N 15 110.0382 0.086 . 1 . . . . A 201 GLY N . 30286 1 790 . 1 1 204 204 THR C C 13 175.9068 0.012 . 1 . . . . A 204 THR C . 30286 1 791 . 1 1 204 204 THR CA C 13 64.0838 0.012 . 1 . . . . A 204 THR CA . 30286 1 792 . 1 1 205 205 ALA H H 1 7.6118 0.007 . 1 . . . . A 205 ALA H . 30286 1 793 . 1 1 205 205 ALA C C 13 178.5239 0.012 . 1 . . . . A 205 ALA C . 30286 1 794 . 1 1 205 205 ALA CA C 13 53.7439 0.012 . 1 . . . . A 205 ALA CA . 30286 1 795 . 1 1 205 205 ALA CB C 13 17.5944 0.012 . 1 . . . . A 205 ALA CB . 30286 1 796 . 1 1 205 205 ALA N N 15 123.7393 0.086 . 1 . . . . A 205 ALA N . 30286 1 797 . 1 1 206 206 LEU H H 1 7.4748 0.007 . 1 . . . . A 206 LEU H . 30286 1 798 . 1 1 206 206 LEU C C 13 177.6682 0.012 . 1 . . . . A 206 LEU C . 30286 1 799 . 1 1 206 206 LEU CA C 13 56.3211 0.012 . 1 . . . . A 206 LEU CA . 30286 1 800 . 1 1 206 206 LEU N N 15 117.2819 0.086 . 1 . . . . A 206 LEU N . 30286 1 801 . 1 1 207 207 ASN H H 1 7.8412 0.007 . 1 . . . . A 207 ASN H . 30286 1 802 . 1 1 207 207 ASN C C 13 176.6804 0.012 . 1 . . . . A 207 ASN C . 30286 1 803 . 1 1 207 207 ASN CA C 13 55.6126 0.012 . 1 . . . . A 207 ASN CA . 30286 1 804 . 1 1 207 207 ASN CB C 13 37.6903 0.012 . 1 . . . . A 207 ASN CB . 30286 1 805 . 1 1 207 207 ASN N N 15 117.6180 0.086 . 1 . . . . A 207 ASN N . 30286 1 806 . 1 1 208 208 THR H H 1 7.7584 0.007 . 1 . . . . A 208 THR H . 30286 1 807 . 1 1 208 208 THR C C 13 175.5695 0.012 . 1 . . . . A 208 THR C . 30286 1 808 . 1 1 208 208 THR CA C 13 64.7185 0.012 . 1 . . . . A 208 THR CA . 30286 1 809 . 1 1 208 208 THR N N 15 113.0904 0.086 . 1 . . . . A 208 THR N . 30286 1 810 . 1 1 209 209 PHE H H 1 7.6834 0.007 . 1 . . . . A 209 PHE H . 30286 1 811 . 1 1 209 209 PHE C C 13 176.3194 0.012 . 1 . . . . A 209 PHE C . 30286 1 812 . 1 1 209 209 PHE CA C 13 60.0892 0.012 . 1 . . . . A 209 PHE CA . 30286 1 813 . 1 1 209 209 PHE CB C 13 38.0793 0.012 . 1 . . . . A 209 PHE CB . 30286 1 814 . 1 1 209 209 PHE N N 15 121.1139 0.086 . 1 . . . . A 209 PHE N . 30286 1 815 . 1 1 210 210 PHE H H 1 7.7661 0.007 . 1 . . . . A 210 PHE H . 30286 1 816 . 1 1 210 210 PHE C C 13 176.8084 0.012 . 1 . . . . A 210 PHE C . 30286 1 817 . 1 1 210 210 PHE CA C 13 59.7636 0.012 . 1 . . . . A 210 PHE CA . 30286 1 818 . 1 1 210 210 PHE CB C 13 37.9903 0.012 . 1 . . . . A 210 PHE CB . 30286 1 819 . 1 1 210 210 PHE N N 15 116.6522 0.086 . 1 . . . . A 210 PHE N . 30286 1 820 . 1 1 211 211 LEU H H 1 7.7191 0.007 . 1 . . . . A 211 LEU H . 30286 1 821 . 1 1 211 211 LEU C C 13 177.4369 0.012 . 1 . . . . A 211 LEU C . 30286 1 822 . 1 1 211 211 LEU CA C 13 56.2157 0.012 . 1 . . . . A 211 LEU CA . 30286 1 823 . 1 1 211 211 LEU CB C 13 40.7035 0.012 . 1 . . . . A 211 LEU CB . 30286 1 824 . 1 1 211 211 LEU N N 15 118.6914 0.086 . 1 . . . . A 211 LEU N . 30286 1 825 . 1 1 212 212 ARG H H 1 7.5160 0.007 . 1 . . . . A 212 ARG H . 30286 1 826 . 1 1 212 212 ARG C C 13 176.7234 0.012 . 1 . . . . A 212 ARG C . 30286 1 827 . 1 1 212 212 ARG CA C 13 56.6171 0.012 . 1 . . . . A 212 ARG CA . 30286 1 828 . 1 1 212 212 ARG CB C 13 28.4025 0.012 . 1 . . . . A 212 ARG CB . 30286 1 829 . 1 1 212 212 ARG N N 15 117.1106 0.086 . 1 . . . . A 212 ARG N . 30286 1 830 . 1 1 213 213 ILE H H 1 7.3110 0.007 . 1 . . . . A 213 ILE H . 30286 1 831 . 1 1 213 213 ILE C C 13 175.2278 0.012 . 1 . . . . A 213 ILE C . 30286 1 832 . 1 1 213 213 ILE CA C 13 61.0190 0.012 . 1 . . . . A 213 ILE CA . 30286 1 833 . 1 1 213 213 ILE CB C 13 37.2139 0.012 . 1 . . . . A 213 ILE CB . 30286 1 834 . 1 1 213 213 ILE N N 15 115.4714 0.086 . 1 . . . . A 213 ILE N . 30286 1 835 . 1 1 214 214 THR H H 1 7.1648 0.007 . 1 . . . . A 214 THR H . 30286 1 836 . 1 1 214 214 THR CA C 13 61.8002 0.012 . 1 . . . . A 214 THR CA . 30286 1 837 . 1 1 214 214 THR N N 15 115.7117 0.086 . 1 . . . . A 214 THR N . 30286 1 838 . 1 1 215 215 PRO C C 13 175.0500 0.012 . 1 . . . . A 215 PRO C . 30286 1 839 . 1 1 215 215 PRO CA C 13 62.2374 0.012 . 1 . . . . A 215 PRO CA . 30286 1 840 . 1 1 216 216 GLU H H 1 7.7276 0.007 . 1 . . . . A 216 GLU H . 30286 1 841 . 1 1 216 216 GLU C C 13 178.2281 0.012 . 1 . . . . A 216 GLU C . 30286 1 842 . 1 1 216 216 GLU CA C 13 59.3043 0.012 . 1 . . . . A 216 GLU CA . 30286 1 843 . 1 1 216 216 GLU N N 15 120.4811 0.086 . 1 . . . . A 216 GLU N . 30286 1 844 . 1 1 217 217 TRP H H 1 7.5382 0.007 . 1 . . . . A 217 TRP H . 30286 1 845 . 1 1 217 217 TRP HE1 H 1 10.2158 0.007 . 1 . . . . A 217 TRP HE1 . 30286 1 846 . 1 1 217 217 TRP C C 13 177.3898 0.012 . 1 . . . . A 217 TRP C . 30286 1 847 . 1 1 217 217 TRP CA C 13 58.5194 0.012 . 1 . . . . A 217 TRP CA . 30286 1 848 . 1 1 217 217 TRP CB C 13 27.5376 0.012 . 1 . . . . A 217 TRP CB . 30286 1 849 . 1 1 217 217 TRP N N 15 117.2523 0.086 . 1 . . . . A 217 TRP N . 30286 1 850 . 1 1 217 217 TRP NE1 N 15 130.6003 0.086 . 1 . . . . A 217 TRP NE1 . 30286 1 851 . 1 1 218 218 LEU H H 1 7.1438 0.007 . 1 . . . . A 218 LEU H . 30286 1 852 . 1 1 218 218 LEU C C 13 178.1296 0.012 . 1 . . . . A 218 LEU C . 30286 1 853 . 1 1 218 218 LEU CA C 13 56.5514 0.012 . 1 . . . . A 218 LEU CA . 30286 1 854 . 1 1 218 218 LEU CB C 13 40.8804 0.012 . 1 . . . . A 218 LEU CB . 30286 1 855 . 1 1 218 218 LEU N N 15 118.8385 0.086 . 1 . . . . A 218 LEU N . 30286 1 856 . 1 1 219 219 GLN H H 1 7.5413 0.007 . 1 . . . . A 219 GLN H . 30286 1 857 . 1 1 219 219 GLN C C 13 177.2405 0.012 . 1 . . . . A 219 GLN C . 30286 1 858 . 1 1 219 219 GLN CA C 13 58.2234 0.012 . 1 . . . . A 219 GLN CA . 30286 1 859 . 1 1 219 219 GLN CB C 13 27.4639 0.012 . 1 . . . . A 219 GLN CB . 30286 1 860 . 1 1 219 219 GLN N N 15 116.2825 0.086 . 1 . . . . A 219 GLN N . 30286 1 861 . 1 1 220 220 ARG H H 1 7.2539 0.007 . 1 . . . . A 220 ARG H . 30286 1 862 . 1 1 220 220 ARG C C 13 176.5226 0.012 . 1 . . . . A 220 ARG C . 30286 1 863 . 1 1 220 220 ARG CA C 13 57.2557 0.012 . 1 . . . . A 220 ARG CA . 30286 1 864 . 1 1 220 220 ARG CB C 13 28.2920 0.012 . 1 . . . . A 220 ARG CB . 30286 1 865 . 1 1 220 220 ARG N N 15 115.9063 0.086 . 1 . . . . A 220 ARG N . 30286 1 866 . 1 1 221 221 TYR H H 1 7.4018 0.007 . 1 . . . . A 221 TYR H . 30286 1 867 . 1 1 221 221 TYR C C 13 174.9427 0.012 . 1 . . . . A 221 TYR C . 30286 1 868 . 1 1 221 221 TYR CA C 13 58.2986 0.012 . 1 . . . . A 221 TYR CA . 30286 1 869 . 1 1 221 221 TYR CB C 13 38.3244 0.012 . 1 . . . . A 221 TYR CB . 30286 1 870 . 1 1 221 221 TYR N N 15 116.5619 0.086 . 1 . . . . A 221 TYR N . 30286 1 871 . 1 1 222 222 LEU H H 1 7.2567 0.007 . 1 . . . . A 222 LEU H . 30286 1 872 . 1 1 222 222 LEU C C 13 175.0860 0.012 . 1 . . . . A 222 LEU C . 30286 1 873 . 1 1 222 222 LEU CA C 13 52.6806 0.012 . 1 . . . . A 222 LEU CA . 30286 1 874 . 1 1 222 222 LEU CB C 13 40.0713 0.012 . 1 . . . . A 222 LEU CB . 30286 1 875 . 1 1 222 222 LEU N N 15 119.3967 0.086 . 1 . . . . A 222 LEU N . 30286 1 876 . 1 1 223 223 PRO C C 13 176.7727 0.012 . 1 . . . . A 223 PRO C . 30286 1 877 . 1 1 223 223 PRO CA C 13 64.4130 0.012 . 1 . . . . A 223 PRO CA . 30286 1 878 . 1 1 224 224 SER H H 1 7.8975 0.007 . 1 . . . . A 224 SER H . 30286 1 879 . 1 1 224 224 SER CA C 13 57.9002 0.012 . 1 . . . . A 224 SER CA . 30286 1 880 . 1 1 224 224 SER N N 15 114.5311 0.086 . 1 . . . . A 224 SER N . 30286 1 stop_ save_