data_11470 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11470 _Entry.Title ; NMR chemical shift assignments for the cytoplasmic region of the Mg2+-transporter MgtE in the Mg2+ unbound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-12 _Entry.Accession_date 2012-01-17 _Entry.Last_release_date 2012-01-17 _Entry.Original_release_date 2012-01-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1.1.21 _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 Tatsuro Maruyama . . . . 11470 2 Shunsuke Imai . . . . 11470 3 Masanori Osawa . . . . 11470 4 Ichio Shimada . . . . 11470 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11470 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 602 11470 '15N chemical shifts' 205 11470 '1H chemical shifts' 205 11470 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-08-30 . original BMRB . 11470 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11470 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22477092 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments for the cytoplasmic region of the Mg(2+) transporter MgtE in the Mg (2+)-unbound state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 93 _Citation.Page_last 96 _Citation.Year 2013 _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 Tatsuro Maruyama . . . . 11470 1 2 Shunsuke Imai . . . . 11470 1 3 Masanori Osawa . . . . 11470 1 4 Motoyuki Hattori . . . . 11470 1 5 Ryuichi Ishitani . . . . 11470 1 6 Osamu Nureki . . . . 11470 1 7 Ichio Shimada . . . . 11470 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11470 _Assembly.ID 1 _Assembly.Name homodimer _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 60000 _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 'The cytoplasmic region of MgtE, chain 1' 1 $MgtECP_dimer A . yes native no yes . . . 11470 1 2 'The cytoplasmic region of MgtE, chain 2' 1 $MgtECP_dimer B . yes native no yes . . . 11470 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MgtECP_dimer _Entity.Sf_category entity _Entity.Sf_framecode MgtECP_dimer _Entity.Entry_ID 11470 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MgtECP_dimer _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLHMEEKLAVSLQEALQEG DTRALREVLEEIHPQDLLAL WDELKGEHRYVVLTLLPKAK AAEVLSHLSPEEQAEYLKTL PPWRLREILEELSLDDLADA LQAVRKEDPAYFQRLKDLLD PRTRAEVEALARYEEDEAGG LMTPEYVAVREGMTVEEVLR FLRRAAPDAETIYYIYVVDE KGRLKGVLSLRDLIVADPRT RVAEIMNPKVVYVRTDTDQE EVARLMADYDFTVLPVVDEE GRLVGIVTVDDVLDVLEAEA TED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 11470 1 2 -3 PRO . 11470 1 3 -2 LEU . 11470 1 4 -1 HIS . 11470 1 5 1 MET . 11470 1 6 2 GLU . 11470 1 7 3 GLU . 11470 1 8 4 LYS . 11470 1 9 5 LEU . 11470 1 10 6 ALA . 11470 1 11 7 VAL . 11470 1 12 8 SER . 11470 1 13 9 LEU . 11470 1 14 10 GLN . 11470 1 15 11 GLU . 11470 1 16 12 ALA . 11470 1 17 13 LEU . 11470 1 18 14 GLN . 11470 1 19 15 GLU . 11470 1 20 16 GLY . 11470 1 21 17 ASP . 11470 1 22 18 THR . 11470 1 23 19 ARG . 11470 1 24 20 ALA . 11470 1 25 21 LEU . 11470 1 26 22 ARG . 11470 1 27 23 GLU . 11470 1 28 24 VAL . 11470 1 29 25 LEU . 11470 1 30 26 GLU . 11470 1 31 27 GLU . 11470 1 32 28 ILE . 11470 1 33 29 HIS . 11470 1 34 30 PRO . 11470 1 35 31 GLN . 11470 1 36 32 ASP . 11470 1 37 33 LEU . 11470 1 38 34 LEU . 11470 1 39 35 ALA . 11470 1 40 36 LEU . 11470 1 41 37 TRP . 11470 1 42 38 ASP . 11470 1 43 39 GLU . 11470 1 44 40 LEU . 11470 1 45 41 LYS . 11470 1 46 42 GLY . 11470 1 47 43 GLU . 11470 1 48 44 HIS . 11470 1 49 45 ARG . 11470 1 50 46 TYR . 11470 1 51 47 VAL . 11470 1 52 48 VAL . 11470 1 53 49 LEU . 11470 1 54 50 THR . 11470 1 55 51 LEU . 11470 1 56 52 LEU . 11470 1 57 53 PRO . 11470 1 58 54 LYS . 11470 1 59 55 ALA . 11470 1 60 56 LYS . 11470 1 61 57 ALA . 11470 1 62 58 ALA . 11470 1 63 59 GLU . 11470 1 64 60 VAL . 11470 1 65 61 LEU . 11470 1 66 62 SER . 11470 1 67 63 HIS . 11470 1 68 64 LEU . 11470 1 69 65 SER . 11470 1 70 66 PRO . 11470 1 71 67 GLU . 11470 1 72 68 GLU . 11470 1 73 69 GLN . 11470 1 74 70 ALA . 11470 1 75 71 GLU . 11470 1 76 72 TYR . 11470 1 77 73 LEU . 11470 1 78 74 LYS . 11470 1 79 75 THR . 11470 1 80 76 LEU . 11470 1 81 77 PRO . 11470 1 82 78 PRO . 11470 1 83 79 TRP . 11470 1 84 80 ARG . 11470 1 85 81 LEU . 11470 1 86 82 ARG . 11470 1 87 83 GLU . 11470 1 88 84 ILE . 11470 1 89 85 LEU . 11470 1 90 86 GLU . 11470 1 91 87 GLU . 11470 1 92 88 LEU . 11470 1 93 89 SER . 11470 1 94 90 LEU . 11470 1 95 91 ASP . 11470 1 96 92 ASP . 11470 1 97 93 LEU . 11470 1 98 94 ALA . 11470 1 99 95 ASP . 11470 1 100 96 ALA . 11470 1 101 97 LEU . 11470 1 102 98 GLN . 11470 1 103 99 ALA . 11470 1 104 100 VAL . 11470 1 105 101 ARG . 11470 1 106 102 LYS . 11470 1 107 103 GLU . 11470 1 108 104 ASP . 11470 1 109 105 PRO . 11470 1 110 106 ALA . 11470 1 111 107 TYR . 11470 1 112 108 PHE . 11470 1 113 109 GLN . 11470 1 114 110 ARG . 11470 1 115 111 LEU . 11470 1 116 112 LYS . 11470 1 117 113 ASP . 11470 1 118 114 LEU . 11470 1 119 115 LEU . 11470 1 120 116 ASP . 11470 1 121 117 PRO . 11470 1 122 118 ARG . 11470 1 123 119 THR . 11470 1 124 120 ARG . 11470 1 125 121 ALA . 11470 1 126 122 GLU . 11470 1 127 123 VAL . 11470 1 128 124 GLU . 11470 1 129 125 ALA . 11470 1 130 126 LEU . 11470 1 131 127 ALA . 11470 1 132 128 ARG . 11470 1 133 129 TYR . 11470 1 134 130 GLU . 11470 1 135 131 GLU . 11470 1 136 132 ASP . 11470 1 137 133 GLU . 11470 1 138 134 ALA . 11470 1 139 135 GLY . 11470 1 140 136 GLY . 11470 1 141 137 LEU . 11470 1 142 138 MET . 11470 1 143 139 THR . 11470 1 144 140 PRO . 11470 1 145 141 GLU . 11470 1 146 142 TYR . 11470 1 147 143 VAL . 11470 1 148 144 ALA . 11470 1 149 145 VAL . 11470 1 150 146 ARG . 11470 1 151 147 GLU . 11470 1 152 148 GLY . 11470 1 153 149 MET . 11470 1 154 150 THR . 11470 1 155 151 VAL . 11470 1 156 152 GLU . 11470 1 157 153 GLU . 11470 1 158 154 VAL . 11470 1 159 155 LEU . 11470 1 160 156 ARG . 11470 1 161 157 PHE . 11470 1 162 158 LEU . 11470 1 163 159 ARG . 11470 1 164 160 ARG . 11470 1 165 161 ALA . 11470 1 166 162 ALA . 11470 1 167 163 PRO . 11470 1 168 164 ASP . 11470 1 169 165 ALA . 11470 1 170 166 GLU . 11470 1 171 167 THR . 11470 1 172 168 ILE . 11470 1 173 169 TYR . 11470 1 174 170 TYR . 11470 1 175 171 ILE . 11470 1 176 172 TYR . 11470 1 177 173 VAL . 11470 1 178 174 VAL . 11470 1 179 175 ASP . 11470 1 180 176 GLU . 11470 1 181 177 LYS . 11470 1 182 178 GLY . 11470 1 183 179 ARG . 11470 1 184 180 LEU . 11470 1 185 181 LYS . 11470 1 186 182 GLY . 11470 1 187 183 VAL . 11470 1 188 184 LEU . 11470 1 189 185 SER . 11470 1 190 186 LEU . 11470 1 191 187 ARG . 11470 1 192 188 ASP . 11470 1 193 189 LEU . 11470 1 194 190 ILE . 11470 1 195 191 VAL . 11470 1 196 192 ALA . 11470 1 197 193 ASP . 11470 1 198 194 PRO . 11470 1 199 195 ARG . 11470 1 200 196 THR . 11470 1 201 197 ARG . 11470 1 202 198 VAL . 11470 1 203 199 ALA . 11470 1 204 200 GLU . 11470 1 205 201 ILE . 11470 1 206 202 MET . 11470 1 207 203 ASN . 11470 1 208 204 PRO . 11470 1 209 205 LYS . 11470 1 210 206 VAL . 11470 1 211 207 VAL . 11470 1 212 208 TYR . 11470 1 213 209 VAL . 11470 1 214 210 ARG . 11470 1 215 211 THR . 11470 1 216 212 ASP . 11470 1 217 213 THR . 11470 1 218 214 ASP . 11470 1 219 215 GLN . 11470 1 220 216 GLU . 11470 1 221 217 GLU . 11470 1 222 218 VAL . 11470 1 223 219 ALA . 11470 1 224 220 ARG . 11470 1 225 221 LEU . 11470 1 226 222 MET . 11470 1 227 223 ALA . 11470 1 228 224 ASP . 11470 1 229 225 TYR . 11470 1 230 226 ASP . 11470 1 231 227 PHE . 11470 1 232 228 THR . 11470 1 233 229 VAL . 11470 1 234 230 LEU . 11470 1 235 231 PRO . 11470 1 236 232 VAL . 11470 1 237 233 VAL . 11470 1 238 234 ASP . 11470 1 239 235 GLU . 11470 1 240 236 GLU . 11470 1 241 237 GLY . 11470 1 242 238 ARG . 11470 1 243 239 LEU . 11470 1 244 240 VAL . 11470 1 245 241 GLY . 11470 1 246 242 ILE . 11470 1 247 243 VAL . 11470 1 248 244 THR . 11470 1 249 245 VAL . 11470 1 250 246 ASP . 11470 1 251 247 ASP . 11470 1 252 248 VAL . 11470 1 253 249 LEU . 11470 1 254 250 ASP . 11470 1 255 251 VAL . 11470 1 256 252 LEU . 11470 1 257 253 GLU . 11470 1 258 254 ALA . 11470 1 259 255 GLU . 11470 1 260 256 ALA . 11470 1 261 257 THR . 11470 1 262 258 GLU . 11470 1 263 259 ASP . 11470 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11470 1 . PRO 2 2 11470 1 . LEU 3 3 11470 1 . HIS 4 4 11470 1 . MET 5 5 11470 1 . GLU 6 6 11470 1 . GLU 7 7 11470 1 . LYS 8 8 11470 1 . LEU 9 9 11470 1 . ALA 10 10 11470 1 . VAL 11 11 11470 1 . SER 12 12 11470 1 . LEU 13 13 11470 1 . GLN 14 14 11470 1 . GLU 15 15 11470 1 . ALA 16 16 11470 1 . LEU 17 17 11470 1 . GLN 18 18 11470 1 . GLU 19 19 11470 1 . GLY 20 20 11470 1 . ASP 21 21 11470 1 . THR 22 22 11470 1 . ARG 23 23 11470 1 . ALA 24 24 11470 1 . LEU 25 25 11470 1 . ARG 26 26 11470 1 . GLU 27 27 11470 1 . VAL 28 28 11470 1 . LEU 29 29 11470 1 . GLU 30 30 11470 1 . GLU 31 31 11470 1 . ILE 32 32 11470 1 . HIS 33 33 11470 1 . PRO 34 34 11470 1 . GLN 35 35 11470 1 . ASP 36 36 11470 1 . LEU 37 37 11470 1 . LEU 38 38 11470 1 . ALA 39 39 11470 1 . LEU 40 40 11470 1 . TRP 41 41 11470 1 . ASP 42 42 11470 1 . GLU 43 43 11470 1 . LEU 44 44 11470 1 . LYS 45 45 11470 1 . GLY 46 46 11470 1 . GLU 47 47 11470 1 . HIS 48 48 11470 1 . ARG 49 49 11470 1 . TYR 50 50 11470 1 . VAL 51 51 11470 1 . VAL 52 52 11470 1 . LEU 53 53 11470 1 . THR 54 54 11470 1 . LEU 55 55 11470 1 . LEU 56 56 11470 1 . PRO 57 57 11470 1 . LYS 58 58 11470 1 . ALA 59 59 11470 1 . LYS 60 60 11470 1 . ALA 61 61 11470 1 . ALA 62 62 11470 1 . GLU 63 63 11470 1 . VAL 64 64 11470 1 . LEU 65 65 11470 1 . SER 66 66 11470 1 . HIS 67 67 11470 1 . LEU 68 68 11470 1 . SER 69 69 11470 1 . PRO 70 70 11470 1 . GLU 71 71 11470 1 . GLU 72 72 11470 1 . GLN 73 73 11470 1 . ALA 74 74 11470 1 . GLU 75 75 11470 1 . TYR 76 76 11470 1 . LEU 77 77 11470 1 . LYS 78 78 11470 1 . THR 79 79 11470 1 . LEU 80 80 11470 1 . PRO 81 81 11470 1 . PRO 82 82 11470 1 . TRP 83 83 11470 1 . ARG 84 84 11470 1 . LEU 85 85 11470 1 . ARG 86 86 11470 1 . GLU 87 87 11470 1 . ILE 88 88 11470 1 . LEU 89 89 11470 1 . GLU 90 90 11470 1 . GLU 91 91 11470 1 . LEU 92 92 11470 1 . SER 93 93 11470 1 . LEU 94 94 11470 1 . ASP 95 95 11470 1 . ASP 96 96 11470 1 . LEU 97 97 11470 1 . ALA 98 98 11470 1 . ASP 99 99 11470 1 . ALA 100 100 11470 1 . LEU 101 101 11470 1 . GLN 102 102 11470 1 . ALA 103 103 11470 1 . VAL 104 104 11470 1 . ARG 105 105 11470 1 . LYS 106 106 11470 1 . GLU 107 107 11470 1 . ASP 108 108 11470 1 . PRO 109 109 11470 1 . ALA 110 110 11470 1 . TYR 111 111 11470 1 . PHE 112 112 11470 1 . GLN 113 113 11470 1 . ARG 114 114 11470 1 . LEU 115 115 11470 1 . LYS 116 116 11470 1 . ASP 117 117 11470 1 . LEU 118 118 11470 1 . LEU 119 119 11470 1 . ASP 120 120 11470 1 . PRO 121 121 11470 1 . ARG 122 122 11470 1 . THR 123 123 11470 1 . ARG 124 124 11470 1 . ALA 125 125 11470 1 . GLU 126 126 11470 1 . VAL 127 127 11470 1 . GLU 128 128 11470 1 . ALA 129 129 11470 1 . LEU 130 130 11470 1 . ALA 131 131 11470 1 . ARG 132 132 11470 1 . TYR 133 133 11470 1 . GLU 134 134 11470 1 . GLU 135 135 11470 1 . ASP 136 136 11470 1 . GLU 137 137 11470 1 . ALA 138 138 11470 1 . GLY 139 139 11470 1 . GLY 140 140 11470 1 . LEU 141 141 11470 1 . MET 142 142 11470 1 . THR 143 143 11470 1 . PRO 144 144 11470 1 . GLU 145 145 11470 1 . TYR 146 146 11470 1 . VAL 147 147 11470 1 . ALA 148 148 11470 1 . VAL 149 149 11470 1 . ARG 150 150 11470 1 . GLU 151 151 11470 1 . GLY 152 152 11470 1 . MET 153 153 11470 1 . THR 154 154 11470 1 . VAL 155 155 11470 1 . GLU 156 156 11470 1 . GLU 157 157 11470 1 . VAL 158 158 11470 1 . LEU 159 159 11470 1 . ARG 160 160 11470 1 . PHE 161 161 11470 1 . LEU 162 162 11470 1 . ARG 163 163 11470 1 . ARG 164 164 11470 1 . ALA 165 165 11470 1 . ALA 166 166 11470 1 . PRO 167 167 11470 1 . ASP 168 168 11470 1 . ALA 169 169 11470 1 . GLU 170 170 11470 1 . THR 171 171 11470 1 . ILE 172 172 11470 1 . TYR 173 173 11470 1 . TYR 174 174 11470 1 . ILE 175 175 11470 1 . TYR 176 176 11470 1 . VAL 177 177 11470 1 . VAL 178 178 11470 1 . ASP 179 179 11470 1 . GLU 180 180 11470 1 . LYS 181 181 11470 1 . GLY 182 182 11470 1 . ARG 183 183 11470 1 . LEU 184 184 11470 1 . LYS 185 185 11470 1 . GLY 186 186 11470 1 . VAL 187 187 11470 1 . LEU 188 188 11470 1 . SER 189 189 11470 1 . LEU 190 190 11470 1 . ARG 191 191 11470 1 . ASP 192 192 11470 1 . LEU 193 193 11470 1 . ILE 194 194 11470 1 . VAL 195 195 11470 1 . ALA 196 196 11470 1 . ASP 197 197 11470 1 . PRO 198 198 11470 1 . ARG 199 199 11470 1 . THR 200 200 11470 1 . ARG 201 201 11470 1 . VAL 202 202 11470 1 . ALA 203 203 11470 1 . GLU 204 204 11470 1 . ILE 205 205 11470 1 . MET 206 206 11470 1 . ASN 207 207 11470 1 . PRO 208 208 11470 1 . LYS 209 209 11470 1 . VAL 210 210 11470 1 . VAL 211 211 11470 1 . TYR 212 212 11470 1 . VAL 213 213 11470 1 . ARG 214 214 11470 1 . THR 215 215 11470 1 . ASP 216 216 11470 1 . THR 217 217 11470 1 . ASP 218 218 11470 1 . GLN 219 219 11470 1 . GLU 220 220 11470 1 . GLU 221 221 11470 1 . VAL 222 222 11470 1 . ALA 223 223 11470 1 . ARG 224 224 11470 1 . LEU 225 225 11470 1 . MET 226 226 11470 1 . ALA 227 227 11470 1 . ASP 228 228 11470 1 . TYR 229 229 11470 1 . ASP 230 230 11470 1 . PHE 231 231 11470 1 . THR 232 232 11470 1 . VAL 233 233 11470 1 . LEU 234 234 11470 1 . PRO 235 235 11470 1 . VAL 236 236 11470 1 . VAL 237 237 11470 1 . ASP 238 238 11470 1 . GLU 239 239 11470 1 . GLU 240 240 11470 1 . GLY 241 241 11470 1 . ARG 242 242 11470 1 . LEU 243 243 11470 1 . VAL 244 244 11470 1 . GLY 245 245 11470 1 . ILE 246 246 11470 1 . VAL 247 247 11470 1 . THR 248 248 11470 1 . VAL 249 249 11470 1 . ASP 250 250 11470 1 . ASP 251 251 11470 1 . VAL 252 252 11470 1 . LEU 253 253 11470 1 . ASP 254 254 11470 1 . VAL 255 255 11470 1 . LEU 256 256 11470 1 . GLU 257 257 11470 1 . ALA 258 258 11470 1 . GLU 259 259 11470 1 . ALA 260 260 11470 1 . THR 261 261 11470 1 . GLU 262 262 11470 1 . ASP 263 263 11470 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 11470 _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 $MgtECP_dimer . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 11470 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 11470 _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 $MgtECP_dimer . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . pET28a . . . 11470 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_U-2H-13C-15N_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode U-2H-13C-15N_MgtECP _Sample.Entry_ID 11470 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' '[U-13C; U-15N; U-2H]' . . 1 $MgtECP_dimer . protein 570 . . uM . . . . 11470 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 1 4 H2O . . . . . . solvent 90 . . % . . . . 11470 1 5 D2O . . . . . . solvent 10 . . % . . . . 11470 1 stop_ save_ save_U-2H-15N_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode U-2H-15N_MgtECP _Sample.Entry_ID 11470 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' '[U-2H; U-15N]' . . 1 $MgtECP_dimer . protein 300 . . uM . . . . 11470 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 2 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 2 4 H2O . . . . . . solvent 90 . . % . . . . 11470 2 5 D2O . . . . . . solvent 10 . . % . . . . 11470 2 stop_ save_ save_15N_Arg_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode 15N_Arg_MgtECP _Sample.Entry_ID 11470 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' [U-15N]-Arg . . 1 $MgtECP_dimer . protein 120 . . uM . . . . 11470 3 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 3 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 3 4 H2O . . . . . . solvent 90 . . % . . . . 11470 3 5 D2O . . . . . . solvent 10 . . % . . . . 11470 3 stop_ save_ save_15N_Ile_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode 15N_Ile_MgtECP _Sample.Entry_ID 11470 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' [U-15N]-Ile . . 1 $MgtECP_dimer . protein 270 . . uM . . . . 11470 4 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 4 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 4 4 H2O . . . . . . solvent 90 . . % . . . . 11470 4 5 D2O . . . . . . solvent 10 . . % . . . . 11470 4 stop_ save_ save_15N_His_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode 15N_His_MgtECP _Sample.Entry_ID 11470 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' [U-15N]-His . . 1 $MgtECP_dimer . protein 180 . . uM . . . . 11470 5 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 5 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 5 4 H2O . . . . . . solvent 90 . . % . . . . 11470 5 5 D2O . . . . . . solvent 10 . . % . . . . 11470 5 stop_ save_ save_15N_Lys_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode 15N_Lys_MgtECP _Sample.Entry_ID 11470 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' [U-15N]-Lys . . 1 $MgtECP_dimer . protein 120 . . uM . . . . 11470 6 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 6 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 6 4 H2O . . . . . . solvent 90 . . % . . . . 11470 6 5 D2O . . . . . . solvent 10 . . % . . . . 11470 6 stop_ save_ save_U-15N_1-13C_Pro_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode U-15N_1-13C_Pro_MgtECP _Sample.Entry_ID 11470 _Sample.ID 7 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' '[U-15N]; [1-13C]-Pro' . . 1 $MgtECP_dimer . protein 170 . . uM . . . . 11470 7 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 7 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 7 4 H2O . . . . . . solvent 90 . . % . . . . 11470 7 5 D2O . . . . . . solvent 10 . . % . . . . 11470 7 stop_ save_ save_U-15N_1-13C_Gly_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode U-15N_1-13C_Gly_MgtECP _Sample.Entry_ID 11470 _Sample.ID 8 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' '[U-15N]; [1-13C]-Gly' . . 1 $MgtECP_dimer . protein 380 . . uM . . . . 11470 8 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 8 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 8 4 H2O . . . . . . solvent 90 . . % . . . . 11470 8 5 D2O . . . . . . solvent 10 . . % . . . . 11470 8 stop_ save_ save_U-15N_1-13C_Leu_MgtECP _Sample.Sf_category sample _Sample.Sf_framecode U-15N_1-13C_Leu_MgtECP _Sample.Entry_ID 11470 _Sample.ID 9 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MgtECP dimer' '[U-15N]; [1-13C]-Leu' . . 1 $MgtECP_dimer . protein 570 . . uM . . . . 11470 9 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11470 9 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 11470 9 4 H2O . . . . . . solvent 90 . . % . . . . 11470 9 5 D2O . . . . . . solvent 10 . . % . . . . 11470 9 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 11470 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 11470 1 pH 6.10 . pH 11470 1 pressure 1 . atm 11470 1 temperature 313 . K 11470 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11470 _Software.ID 1 _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' . . 11470 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 11470 1 . processing 11470 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 11470 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 11470 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 11470 2 . 'data analysis' 11470 2 . 'peak picking' 11470 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11470 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11470 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11470 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11470 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 11470 1 2 spectrometer_2 Bruker Avance . 500 . . . 11470 1 3 spectrometer_3 Bruker Avance . 600 . . . 11470 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 11470 _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 TROSY' no . . . . . . . . . . 1 $U-2H-13C-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11470 1 2 '3D trHNCA' no . . . . . . . . . . 1 $U-2H-13C-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11470 1 3 '3D trHNCACB' no . . . . . . . . . . 1 $U-2H-13C-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11470 1 4 '3D trHNCO' no . . . . . . . . . . 1 $U-2H-13C-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11470 1 5 '3D trHN(CO)CA' no . . . . . . . . . . 1 $U-2H-13C-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11470 1 6 '3D trHN(CO)CACB' no . . . . . . . . . . 1 $U-2H-13C-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11470 1 7 '3D trHNCACO' no . . . . . . . . . . 1 $U-2H-13C-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11470 1 8 '3D 15N-edited NOESY-TROSY' no . . . . . . . . . . 2 $U-2H-15N_MgtECP isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11470 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_Arg_MgtECP isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11470 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15N_Ile_MgtECP isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11470 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $15N_His_MgtECP isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11470 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $15N_Lys_MgtECP isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11470 1 13 '2D HNCO (1H-15N plane)' no . . . . . . . . . . 7 $U-15N_1-13C_Pro_MgtECP isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11470 1 14 '2D HNCO (1H-15N plane)' no . . . . . . . . . . 8 $U-15N_1-13C_Gly_MgtECP isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11470 1 15 '2D HNCO (1H-15N plane)' no . . . . . . . . . . 9 $U-15N_1-13C_Leu_MgtECP isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11470 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11470 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 11470 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 11470 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 11470 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11470 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 11470 1 2 '3D trHNCA' . . . 11470 1 3 '3D trHNCACB' . . . 11470 1 4 '3D trHNCO' . . . 11470 1 5 '3D trHN(CO)CA' . . . 11470 1 6 '3D trHN(CO)CACB' . . . 11470 1 7 '3D trHNCACO' . . . 11470 1 8 '3D 15N-edited NOESY-TROSY' . . . 11470 1 9 '2D 1H-15N HSQC' . . . 11470 1 10 '2D 1H-15N HSQC' . . . 11470 1 11 '2D 1H-15N HSQC' . . . 11470 1 12 '2D 1H-15N HSQC' . . . 11470 1 13 '2D HNCO (1H-15N plane)' . . . 11470 1 14 '2D HNCO (1H-15N plane)' . . . 11470 1 15 '2D HNCO (1H-15N plane)' . . . 11470 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 H H 1 8.244 0.006 . 1 . . . . . -2 LEU H . 11470 1 2 . 1 1 3 3 LEU C C 13 177.146 0.167 . 1 . . . . . -2 LEU C . 11470 1 3 . 1 1 3 3 LEU CA C 13 55.019 0.184 . 1 . . . . . -2 LEU CA . 11470 1 4 . 1 1 3 3 LEU CB C 13 41.465 0.567 . 1 . . . . . -2 LEU CB . 11470 1 5 . 1 1 3 3 LEU N N 15 122.146 0.125 . 1 . . . . . -2 LEU N . 11470 1 6 . 1 1 4 4 HIS H H 1 8.42 0.006 . 1 . . . . . -1 HIS H . 11470 1 7 . 1 1 4 4 HIS C C 13 174.833 0.167 . 1 . . . . . -1 HIS C . 11470 1 8 . 1 1 4 4 HIS CA C 13 55.285 0.184 . 1 . . . . . -1 HIS CA . 11470 1 9 . 1 1 4 4 HIS CB C 13 28.717 0.567 . 1 . . . . . -1 HIS CB . 11470 1 10 . 1 1 4 4 HIS N N 15 119.303 0.125 . 1 . . . . . -1 HIS N . 11470 1 11 . 1 1 5 5 MET H H 1 8.262 0.006 . 1 . . . . . 1 MET H . 11470 1 12 . 1 1 5 5 MET C C 13 176.221 0.167 . 1 . . . . . 1 MET C . 11470 1 13 . 1 1 5 5 MET CA C 13 55.818 0.184 . 1 . . . . . 1 MET CA . 11470 1 14 . 1 1 5 5 MET CB C 13 31.816 0.567 . 1 . . . . . 1 MET CB . 11470 1 15 . 1 1 5 5 MET N N 15 121.618 0.125 . 1 . . . . . 1 MET N . 11470 1 16 . 1 1 6 6 GLU H H 1 8.632 0.006 . 1 . . . . . 2 GLU H . 11470 1 17 . 1 1 6 6 GLU C C 13 177.049 0.167 . 1 . . . . . 2 GLU C . 11470 1 18 . 1 1 6 6 GLU CA C 13 57.169 0.184 . 1 . . . . . 2 GLU CA . 11470 1 19 . 1 1 6 6 GLU CB C 13 28.765 0.567 . 1 . . . . . 2 GLU CB . 11470 1 20 . 1 1 6 6 GLU N N 15 121.901 0.125 . 1 . . . . . 2 GLU N . 11470 1 21 . 1 1 7 7 GLU H H 1 8.206 0.006 . 1 . . . . . 3 GLU H . 11470 1 22 . 1 1 7 7 GLU C C 13 177.176 0.167 . 1 . . . . . 3 GLU C . 11470 1 23 . 1 1 7 7 GLU CA C 13 57.594 0.184 . 1 . . . . . 3 GLU CA . 11470 1 24 . 1 1 7 7 GLU CB C 13 29.047 0.567 . 1 . . . . . 3 GLU CB . 11470 1 25 . 1 1 7 7 GLU N N 15 122.646 0.125 . 1 . . . . . 3 GLU N . 11470 1 26 . 1 1 8 8 LYS H H 1 8.203 0.006 . 1 . . . . . 4 LYS H . 11470 1 27 . 1 1 8 8 LYS C C 13 178.384 0.167 . 1 . . . . . 4 LYS C . 11470 1 28 . 1 1 8 8 LYS CA C 13 57.732 0.184 . 1 . . . . . 4 LYS CA . 11470 1 29 . 1 1 8 8 LYS CB C 13 31.521 0.567 . 1 . . . . . 4 LYS CB . 11470 1 30 . 1 1 8 8 LYS N N 15 120.462 0.125 . 1 . . . . . 4 LYS N . 11470 1 31 . 1 1 9 9 LEU H H 1 8.076 0.006 . 1 . . . . . 5 LEU H . 11470 1 32 . 1 1 9 9 LEU C C 13 177.773 0.167 . 1 . . . . . 5 LEU C . 11470 1 33 . 1 1 9 9 LEU CA C 13 57.078 0.184 . 1 . . . . . 5 LEU CA . 11470 1 34 . 1 1 9 9 LEU CB C 13 40.84 0.567 . 1 . . . . . 5 LEU CB . 11470 1 35 . 1 1 9 9 LEU N N 15 122.006 0.125 . 1 . . . . . 5 LEU N . 11470 1 36 . 1 1 10 10 ALA H H 1 7.9 0.006 . 1 . . . . . 6 ALA H . 11470 1 37 . 1 1 10 10 ALA C C 13 179.719 0.167 . 1 . . . . . 6 ALA C . 11470 1 38 . 1 1 10 10 ALA CA C 13 54.769 0.184 . 1 . . . . . 6 ALA CA . 11470 1 39 . 1 1 10 10 ALA CB C 13 18.056 0.567 . 1 . . . . . 6 ALA CB . 11470 1 40 . 1 1 10 10 ALA N N 15 121.396 0.125 . 1 . . . . . 6 ALA N . 11470 1 41 . 1 1 11 11 VAL H H 1 7.735 0.006 . 1 . . . . . 7 VAL H . 11470 1 42 . 1 1 11 11 VAL C C 13 178.1 0.167 . 1 . . . . . 7 VAL C . 11470 1 43 . 1 1 11 11 VAL CA C 13 64.933 0.184 . 1 . . . . . 7 VAL CA . 11470 1 44 . 1 1 11 11 VAL CB C 13 31.109 0.567 . 1 . . . . . 7 VAL CB . 11470 1 45 . 1 1 11 11 VAL N N 15 117.958 0.125 . 1 . . . . . 7 VAL N . 11470 1 46 . 1 1 12 12 SER H H 1 7.951 0.006 . 1 . . . . . 8 SER H . 11470 1 47 . 1 1 12 12 SER C C 13 176.765 0.167 . 1 . . . . . 8 SER C . 11470 1 48 . 1 1 12 12 SER CA C 13 61.028 0.184 . 1 . . . . . 8 SER CA . 11470 1 49 . 1 1 12 12 SER CB C 13 62.447 0.567 . 1 . . . . . 8 SER CB . 11470 1 50 . 1 1 12 12 SER N N 15 117.134 0.125 . 1 . . . . . 8 SER N . 11470 1 51 . 1 1 13 13 LEU H H 1 8.396 0.006 . 1 . . . . . 9 LEU H . 11470 1 52 . 1 1 13 13 LEU C C 13 177.418 0.167 . 1 . . . . . 9 LEU C . 11470 1 53 . 1 1 13 13 LEU CA C 13 58.141 0.184 . 1 . . . . . 9 LEU CA . 11470 1 54 . 1 1 13 13 LEU CB C 13 40.51 0.567 . 1 . . . . . 9 LEU CB . 11470 1 55 . 1 1 13 13 LEU N N 15 123.459 0.125 . 1 . . . . . 9 LEU N . 11470 1 56 . 1 1 14 14 GLN H H 1 7.792 0.006 . 1 . . . . . 10 GLN H . 11470 1 57 . 1 1 14 14 GLN C C 13 178.895 0.167 . 1 . . . . . 10 GLN C . 11470 1 58 . 1 1 14 14 GLN CA C 13 59.205 0.184 . 1 . . . . . 10 GLN CA . 11470 1 59 . 1 1 14 14 GLN CB C 13 27.645 0.567 . 1 . . . . . 10 GLN CB . 11470 1 60 . 1 1 14 14 GLN N N 15 117.146 0.125 . 1 . . . . . 10 GLN N . 11470 1 61 . 1 1 15 15 GLU H H 1 8.212 0.006 . 1 . . . . . 11 GLU H . 11470 1 62 . 1 1 15 15 GLU C C 13 178.668 0.167 . 1 . . . . . 11 GLU C . 11470 1 63 . 1 1 15 15 GLU CA C 13 59.153 0.184 . 1 . . . . . 11 GLU CA . 11470 1 64 . 1 1 15 15 GLU CB C 13 28.635 0.567 . 1 . . . . . 11 GLU CB . 11470 1 65 . 1 1 15 15 GLU N N 15 119.513 0.125 . 1 . . . . . 11 GLU N . 11470 1 66 . 1 1 16 16 ALA H H 1 7.916 0.006 . 1 . . . . . 12 ALA H . 11470 1 67 . 1 1 16 16 ALA C C 13 180.713 0.167 . 1 . . . . . 12 ALA C . 11470 1 68 . 1 1 16 16 ALA CA C 13 54.754 0.184 . 1 . . . . . 12 ALA CA . 11470 1 69 . 1 1 16 16 ALA CB C 13 17.467 0.567 . 1 . . . . . 12 ALA CB . 11470 1 70 . 1 1 16 16 ALA N N 15 121.436 0.125 . 1 . . . . . 12 ALA N . 11470 1 71 . 1 1 17 17 LEU H H 1 8.015 0.006 . 1 . . . . . 13 LEU H . 11470 1 72 . 1 1 17 17 LEU C C 13 179.155 0.167 . 1 . . . . . 13 LEU C . 11470 1 73 . 1 1 17 17 LEU CA C 13 56.942 0.184 . 1 . . . . . 13 LEU CA . 11470 1 74 . 1 1 17 17 LEU CB C 13 40.428 0.567 . 1 . . . . . 13 LEU CB . 11470 1 75 . 1 1 17 17 LEU N N 15 117.958 0.125 . 1 . . . . . 13 LEU N . 11470 1 76 . 1 1 18 18 GLN H H 1 7.936 0.006 . 1 . . . . . 14 GLN H . 11470 1 77 . 1 1 18 18 GLN C C 13 177.999 0.167 . 1 . . . . . 14 GLN C . 11470 1 78 . 1 1 18 18 GLN CA C 13 57.975 0.184 . 1 . . . . . 14 GLN CA . 11470 1 79 . 1 1 18 18 GLN CB C 13 27.775 0.567 . 1 . . . . . 14 GLN CB . 11470 1 80 . 1 1 18 18 GLN N N 15 118.2 0.125 . 1 . . . . . 14 GLN N . 11470 1 81 . 1 1 19 19 GLU H H 1 7.78 0.006 . 1 . . . . . 15 GLU H . 11470 1 82 . 1 1 19 19 GLU C C 13 177.503 0.167 . 1 . . . . . 15 GLU C . 11470 1 83 . 1 1 19 19 GLU CA C 13 56.105 0.184 . 1 . . . . . 15 GLU CA . 11470 1 84 . 1 1 19 19 GLU CB C 13 29.26 0.567 . 1 . . . . . 15 GLU CB . 11470 1 85 . 1 1 19 19 GLU N N 15 115.833 0.125 . 1 . . . . . 15 GLU N . 11470 1 86 . 1 1 20 20 GLY H H 1 7.563 0.006 . 1 . . . . . 16 GLY H . 11470 1 87 . 1 1 20 20 GLY C C 13 174.095 0.167 . 1 . . . . . 16 GLY C . 11470 1 88 . 1 1 20 20 GLY CA C 13 45.957 0.184 . 1 . . . . . 16 GLY CA . 11470 1 89 . 1 1 20 20 GLY N N 15 108.395 0.125 . 1 . . . . . 16 GLY N . 11470 1 90 . 1 1 21 21 ASP H H 1 7.619 0.006 . 1 . . . . . 17 ASP H . 11470 1 91 . 1 1 21 21 ASP C C 13 176.168 0.167 . 1 . . . . . 17 ASP C . 11470 1 92 . 1 1 21 21 ASP CA C 13 52.429 0.184 . 1 . . . . . 17 ASP CA . 11470 1 93 . 1 1 21 21 ASP CB C 13 40.428 0.567 . 1 . . . . . 17 ASP CB . 11470 1 94 . 1 1 21 21 ASP N N 15 119.115 0.125 . 1 . . . . . 17 ASP N . 11470 1 95 . 1 1 22 22 THR H H 1 8.157 0.006 . 1 . . . . . 18 THR H . 11470 1 96 . 1 1 22 22 THR C C 13 175.628 0.167 . 1 . . . . . 18 THR C . 11470 1 97 . 1 1 22 22 THR CA C 13 64.588 0.184 . 1 . . . . . 18 THR CA . 11470 1 98 . 1 1 22 22 THR CB C 13 68.467 0.567 . 1 . . . . . 18 THR CB . 11470 1 99 . 1 1 22 22 THR N N 15 118.771 0.125 . 1 . . . . . 18 THR N . 11470 1 100 . 1 1 23 23 ARG H H 1 8.108 0.006 . 1 . . . . . 19 ARG H . 11470 1 101 . 1 1 23 23 ARG C C 13 178.611 0.167 . 1 . . . . . 19 ARG C . 11470 1 102 . 1 1 23 23 ARG CA C 13 59.569 0.184 . 1 . . . . . 19 ARG CA . 11470 1 103 . 1 1 23 23 ARG CB C 13 28.635 0.567 . 1 . . . . . 19 ARG CB . 11470 1 104 . 1 1 23 23 ARG N N 15 123.583 0.125 . 1 . . . . . 19 ARG N . 11470 1 105 . 1 1 24 24 ALA H H 1 7.887 0.006 . 1 . . . . . 20 ALA H . 11470 1 106 . 1 1 24 24 ALA C C 13 180.457 0.167 . 1 . . . . . 20 ALA C . 11470 1 107 . 1 1 24 24 ALA CA C 13 54.207 0.184 . 1 . . . . . 20 ALA CA . 11470 1 108 . 1 1 24 24 ALA CB C 13 17.584 0.567 . 1 . . . . . 20 ALA CB . 11470 1 109 . 1 1 24 24 ALA N N 15 122.37 0.125 . 1 . . . . . 20 ALA N . 11470 1 110 . 1 1 25 25 LEU H H 1 8.171 0.006 . 1 . . . . . 21 LEU H . 11470 1 111 . 1 1 25 25 LEU C C 13 177.986 0.167 . 1 . . . . . 21 LEU C . 11470 1 112 . 1 1 25 25 LEU CA C 13 57.169 0.184 . 1 . . . . . 21 LEU CA . 11470 1 113 . 1 1 25 25 LEU CB C 13 41.05 0.567 . 1 . . . . . 21 LEU CB . 11470 1 114 . 1 1 25 25 LEU N N 15 117.988 0.125 . 1 . . . . . 21 LEU N . 11470 1 115 . 1 1 26 26 ARG H H 1 8.188 0.006 . 1 . . . . . 22 ARG H . 11470 1 116 . 1 1 26 26 ARG C C 13 178.554 0.167 . 1 . . . . . 22 ARG C . 11470 1 117 . 1 1 26 26 ARG CA C 13 60.132 0.184 . 1 . . . . . 22 ARG CA . 11470 1 118 . 1 1 26 26 ARG CB C 13 28.717 0.567 . 1 . . . . . 22 ARG CB . 11470 1 119 . 1 1 26 26 ARG N N 15 118.193 0.125 . 1 . . . . . 22 ARG N . 11470 1 120 . 1 1 27 27 GLU H H 1 7.474 0.006 . 1 . . . . . 23 GLU H . 11470 1 121 . 1 1 27 27 GLU C C 13 179.52 0.167 . 1 . . . . . 23 GLU C . 11470 1 122 . 1 1 27 27 GLU CA C 13 59.265 0.184 . 1 . . . . . 23 GLU CA . 11470 1 123 . 1 1 27 27 GLU CB C 13 28.965 0.567 . 1 . . . . . 23 GLU CB . 11470 1 124 . 1 1 27 27 GLU N N 15 117.708 0.125 . 1 . . . . . 23 GLU N . 11470 1 125 . 1 1 28 28 VAL H H 1 7.926 0.006 . 1 . . . . . 24 VAL H . 11470 1 126 . 1 1 28 28 VAL C C 13 178.639 0.167 . 1 . . . . . 24 VAL C . 11470 1 127 . 1 1 28 28 VAL CA C 13 65.446 0.184 . 1 . . . . . 24 VAL CA . 11470 1 128 . 1 1 28 28 VAL CB C 13 30.779 0.567 . 1 . . . . . 24 VAL CB . 11470 1 129 . 1 1 28 28 VAL N N 15 119.646 0.125 . 1 . . . . . 24 VAL N . 11470 1 130 . 1 1 29 29 LEU H H 1 8.336 0.006 . 1 . . . . . 25 LEU H . 11470 1 131 . 1 1 29 29 LEU C C 13 178.185 0.167 . 1 . . . . . 25 LEU C . 11470 1 132 . 1 1 29 29 LEU CA C 13 56.358 0.184 . 1 . . . . . 25 LEU CA . 11470 1 133 . 1 1 29 29 LEU CB C 13 39.685 0.567 . 1 . . . . . 25 LEU CB . 11470 1 134 . 1 1 29 29 LEU N N 15 118.097 0.125 . 1 . . . . . 25 LEU N . 11470 1 135 . 1 1 30 30 GLU H H 1 7.735 0.006 . 1 . . . . . 26 GLU H . 11470 1 136 . 1 1 30 30 GLU C C 13 177.96 0.167 . 1 . . . . . 26 GLU C . 11470 1 137 . 1 1 30 30 GLU CA C 13 58.555 0.184 . 1 . . . . . 26 GLU CA . 11470 1 138 . 1 1 30 30 GLU CB C 13 28.93 0.567 . 1 . . . . . 26 GLU CB . 11470 1 139 . 1 1 30 30 GLU N N 15 118.521 0.125 . 1 . . . . . 26 GLU N . 11470 1 140 . 1 1 31 31 GLU H H 1 7.188 0.006 . 1 . . . . . 27 GLU H . 11470 1 141 . 1 1 31 31 GLU C C 13 177.674 0.167 . 1 . . . . . 27 GLU C . 11470 1 142 . 1 1 31 31 GLU CA C 13 56.348 0.184 . 1 . . . . . 27 GLU CA . 11470 1 143 . 1 1 31 31 GLU CB C 13 30.614 0.567 . 1 . . . . . 27 GLU CB . 11470 1 144 . 1 1 31 31 GLU N N 15 116.708 0.125 . 1 . . . . . 27 GLU N . 11470 1 145 . 1 1 32 32 ILE H H 1 7.64 0.006 . 1 . . . . . 28 ILE H . 11470 1 146 . 1 1 32 32 ILE C C 13 174.294 0.167 . 1 . . . . . 28 ILE C . 11470 1 147 . 1 1 32 32 ILE CA C 13 61.76 0.184 . 1 . . . . . 28 ILE CA . 11470 1 148 . 1 1 32 32 ILE CB C 13 38.201 0.567 . 1 . . . . . 28 ILE CB . 11470 1 149 . 1 1 32 32 ILE N N 15 120.021 0.125 . 1 . . . . . 28 ILE N . 11470 1 150 . 1 1 33 33 HIS H H 1 9.35 0.006 . 1 . . . . . 29 HIS H . 11470 1 151 . 1 1 33 33 HIS C C 13 176.026 0.167 . 1 . . . . . 29 HIS C . 11470 1 152 . 1 1 33 33 HIS CA C 13 54.1 0.184 . 1 . . . . . 29 HIS CA . 11470 1 153 . 1 1 33 33 HIS CB C 13 28.847 0.567 . 1 . . . . . 29 HIS CB . 11470 1 154 . 1 1 33 33 HIS N N 15 128.584 0.125 . 1 . . . . . 29 HIS N . 11470 1 155 . 1 1 35 35 GLN H H 1 9.928 0.006 . 1 . . . . . 31 GLN H . 11470 1 156 . 1 1 35 35 GLN C C 13 178.611 0.167 . 1 . . . . . 31 GLN C . 11470 1 157 . 1 1 35 35 GLN CA C 13 58.901 0.184 . 1 . . . . . 31 GLN CA . 11470 1 158 . 1 1 35 35 GLN CB C 13 27.15 0.567 . 1 . . . . . 31 GLN CB . 11470 1 159 . 1 1 35 35 GLN N N 15 116.458 0.125 . 1 . . . . . 31 GLN N . 11470 1 160 . 1 1 36 36 ASP H H 1 7.36 0.006 . 1 . . . . . 32 ASP H . 11470 1 161 . 1 1 36 36 ASP C C 13 178.355 0.167 . 1 . . . . . 32 ASP C . 11470 1 162 . 1 1 36 36 ASP CA C 13 56.665 0.184 . 1 . . . . . 32 ASP CA . 11470 1 163 . 1 1 36 36 ASP CB C 13 39.733 0.567 . 1 . . . . . 32 ASP CB . 11470 1 164 . 1 1 36 36 ASP N N 15 120.066 0.125 . 1 . . . . . 32 ASP N . 11470 1 165 . 1 1 37 37 LEU H H 1 7.328 0.006 . 1 . . . . . 33 LEU H . 11470 1 166 . 1 1 37 37 LEU C C 13 178.725 0.167 . 1 . . . . . 33 LEU C . 11470 1 167 . 1 1 37 37 LEU CA C 13 57.047 0.184 . 1 . . . . . 33 LEU CA . 11470 1 168 . 1 1 37 37 LEU CB C 13 40.758 0.567 . 1 . . . . . 33 LEU CB . 11470 1 169 . 1 1 37 37 LEU N N 15 120.075 0.125 . 1 . . . . . 33 LEU N . 11470 1 170 . 1 1 38 38 LEU H H 1 8.197 0.006 . 1 . . . . . 34 LEU H . 11470 1 171 . 1 1 38 38 LEU C C 13 179.179 0.167 . 1 . . . . . 34 LEU C . 11470 1 172 . 1 1 38 38 LEU CA C 13 57.473 0.184 . 1 . . . . . 34 LEU CA . 11470 1 173 . 1 1 38 38 LEU CB C 13 40.508 0.567 . 1 . . . . . 34 LEU CB . 11470 1 174 . 1 1 38 38 LEU N N 15 118.317 0.125 . 1 . . . . . 34 LEU N . 11470 1 175 . 1 1 39 39 ALA H H 1 7.375 0.006 . 1 . . . . . 35 ALA H . 11470 1 176 . 1 1 39 39 ALA C C 13 178.725 0.167 . 1 . . . . . 35 ALA C . 11470 1 177 . 1 1 39 39 ALA CA C 13 54.07 0.184 . 1 . . . . . 35 ALA CA . 11470 1 178 . 1 1 39 39 ALA CB C 13 17.831 0.567 . 1 . . . . . 35 ALA CB . 11470 1 179 . 1 1 39 39 ALA N N 15 120.842 0.125 . 1 . . . . . 35 ALA N . 11470 1 180 . 1 1 40 40 LEU H H 1 7.322 0.006 . 1 . . . . . 36 LEU H . 11470 1 181 . 1 1 40 40 LEU C C 13 177.418 0.167 . 1 . . . . . 36 LEU C . 11470 1 182 . 1 1 40 40 LEU CA C 13 54.313 0.184 . 1 . . . . . 36 LEU CA . 11470 1 183 . 1 1 40 40 LEU CB C 13 42.16 0.567 . 1 . . . . . 36 LEU CB . 11470 1 184 . 1 1 40 40 LEU N N 15 116.833 0.125 . 1 . . . . . 36 LEU N . 11470 1 185 . 1 1 41 41 TRP H H 1 7.544 0.006 . 1 . . . . . 37 TRP H . 11470 1 186 . 1 1 41 41 TRP C C 13 177.589 0.167 . 1 . . . . . 37 TRP C . 11470 1 187 . 1 1 41 41 TRP CA C 13 61.301 0.184 . 1 . . . . . 37 TRP CA . 11470 1 188 . 1 1 41 41 TRP CB C 13 30.827 0.567 . 1 . . . . . 37 TRP CB . 11470 1 189 . 1 1 41 41 TRP N N 15 122.271 0.125 . 1 . . . . . 37 TRP N . 11470 1 190 . 1 1 42 42 ASP H H 1 8.441 0.006 . 1 . . . . . 38 ASP H . 11470 1 191 . 1 1 42 42 ASP C C 13 177.219 0.167 . 1 . . . . . 38 ASP C . 11470 1 192 . 1 1 42 42 ASP CA C 13 56.379 0.184 . 1 . . . . . 38 ASP CA . 11470 1 193 . 1 1 42 42 ASP CB C 13 40.015 0.567 . 1 . . . . . 38 ASP CB . 11470 1 194 . 1 1 42 42 ASP N N 15 113.52 0.125 . 1 . . . . . 38 ASP N . 11470 1 195 . 1 1 43 43 GLU H H 1 7.991 0.006 . 1 . . . . . 39 GLU H . 11470 1 196 . 1 1 43 43 GLU C C 13 176.935 0.167 . 1 . . . . . 39 GLU C . 11470 1 197 . 1 1 43 43 GLU CA C 13 55.832 0.184 . 1 . . . . . 39 GLU CA . 11470 1 198 . 1 1 43 43 GLU CB C 13 29.095 0.567 . 1 . . . . . 39 GLU CB . 11470 1 199 . 1 1 43 43 GLU N N 15 116.673 0.125 . 1 . . . . . 39 GLU N . 11470 1 200 . 1 1 44 44 LEU H H 1 7.369 0.006 . 1 . . . . . 40 LEU H . 11470 1 201 . 1 1 44 44 LEU C C 13 177.702 0.167 . 1 . . . . . 40 LEU C . 11470 1 202 . 1 1 44 44 LEU CA C 13 53.467 0.184 . 1 . . . . . 40 LEU CA . 11470 1 203 . 1 1 44 44 LEU CB C 13 41.912 0.567 . 1 . . . . . 40 LEU CB . 11470 1 204 . 1 1 44 44 LEU N N 15 120.826 0.125 . 1 . . . . . 40 LEU N . 11470 1 205 . 1 1 45 45 LYS H H 1 8.733 0.006 . 1 . . . . . 41 LYS H . 11470 1 206 . 1 1 45 45 LYS C C 13 178.497 0.167 . 1 . . . . . 41 LYS C . 11470 1 207 . 1 1 45 45 LYS CA C 13 55.498 0.184 . 1 . . . . . 41 LYS CA . 11470 1 208 . 1 1 45 45 LYS CB C 13 31.851 0.567 . 1 . . . . . 41 LYS CB . 11470 1 209 . 1 1 45 45 LYS N N 15 123.521 0.125 . 1 . . . . . 41 LYS N . 11470 1 210 . 1 1 46 46 GLY H H 1 8.822 0.006 . 1 . . . . . 42 GLY H . 11470 1 211 . 1 1 46 46 GLY C C 13 176.651 0.167 . 1 . . . . . 42 GLY C . 11470 1 212 . 1 1 46 46 GLY CA C 13 48.145 0.184 . 1 . . . . . 42 GLY CA . 11470 1 213 . 1 1 46 46 GLY N N 15 111.895 0.125 . 1 . . . . . 42 GLY N . 11470 1 214 . 1 1 47 47 GLU H H 1 9.356 0.006 . 1 . . . . . 43 GLU H . 11470 1 215 . 1 1 47 47 GLU C C 13 178.668 0.167 . 1 . . . . . 43 GLU C . 11470 1 216 . 1 1 47 47 GLU CA C 13 58.9 0.184 . 1 . . . . . 43 GLU CA . 11470 1 217 . 1 1 47 47 GLU CB C 13 28.057 0.567 . 1 . . . . . 43 GLU CB . 11470 1 218 . 1 1 47 47 GLU N N 15 120.396 0.125 . 1 . . . . . 43 GLU N . 11470 1 219 . 1 1 48 48 HIS H H 1 6.909 0.006 . 1 . . . . . 44 HIS H . 11470 1 220 . 1 1 48 48 HIS C C 13 177.304 0.167 . 1 . . . . . 44 HIS C . 11470 1 221 . 1 1 48 48 HIS CA C 13 56.358 0.184 . 1 . . . . . 44 HIS CA . 11470 1 222 . 1 1 48 48 HIS CB C 13 31.686 0.567 . 1 . . . . . 44 HIS CB . 11470 1 223 . 1 1 48 48 HIS N N 15 119.021 0.125 . 1 . . . . . 44 HIS N . 11470 1 224 . 1 1 49 49 ARG H H 1 7.907 0.006 . 1 . . . . . 45 ARG H . 11470 1 225 . 1 1 49 49 ARG C C 13 177.446 0.167 . 1 . . . . . 45 ARG C . 11470 1 226 . 1 1 49 49 ARG CA C 13 59.567 0.184 . 1 . . . . . 45 ARG CA . 11470 1 227 . 1 1 49 49 ARG CB C 13 29.789 0.567 . 1 . . . . . 45 ARG CB . 11470 1 228 . 1 1 49 49 ARG N N 15 120.334 0.125 . 1 . . . . . 45 ARG N . 11470 1 229 . 1 1 50 50 TYR H H 1 7.481 0.006 . 1 . . . . . 46 TYR H . 11470 1 230 . 1 1 50 50 TYR C C 13 177.759 0.167 . 1 . . . . . 46 TYR C . 11470 1 231 . 1 1 50 50 TYR CA C 13 62.182 0.184 . 1 . . . . . 46 TYR CA . 11470 1 232 . 1 1 50 50 TYR CB C 13 37.789 0.567 . 1 . . . . . 46 TYR CB . 11470 1 233 . 1 1 50 50 TYR N N 15 116.521 0.125 . 1 . . . . . 46 TYR N . 11470 1 234 . 1 1 51 51 VAL H H 1 7.57 0.006 . 1 . . . . . 47 VAL H . 11470 1 235 . 1 1 51 51 VAL C C 13 179.184 0.167 . 1 . . . . . 47 VAL C . 11470 1 236 . 1 1 51 51 VAL CA C 13 66.209 0.184 . 1 . . . . . 47 VAL CA . 11470 1 237 . 1 1 51 51 VAL CB C 13 30.827 0.567 . 1 . . . . . 47 VAL CB . 11470 1 238 . 1 1 51 51 VAL N N 15 118.969 0.125 . 1 . . . . . 47 VAL N . 11470 1 239 . 1 1 52 52 VAL H H 1 8.345 0.006 . 1 . . . . . 48 VAL H . 11470 1 240 . 1 1 52 52 VAL C C 13 177.674 0.167 . 1 . . . . . 48 VAL C . 11470 1 241 . 1 1 52 52 VAL CA C 13 66.939 0.184 . 1 . . . . . 48 VAL CA . 11470 1 242 . 1 1 52 52 VAL CB C 13 30.424 0.567 . 1 . . . . . 48 VAL CB . 11470 1 243 . 1 1 52 52 VAL N N 15 119.896 0.125 . 1 . . . . . 48 VAL N . 11470 1 244 . 1 1 53 53 LEU H H 1 7.946 0.006 . 1 . . . . . 49 LEU H . 11470 1 245 . 1 1 53 53 LEU C C 13 178.497 0.167 . 1 . . . . . 49 LEU C . 11470 1 246 . 1 1 53 53 LEU CA C 13 57.367 0.184 . 1 . . . . . 49 LEU CA . 11470 1 247 . 1 1 53 53 LEU CB C 13 41.087 0.567 . 1 . . . . . 49 LEU CB . 11470 1 248 . 1 1 53 53 LEU N N 15 117.385 0.125 . 1 . . . . . 49 LEU N . 11470 1 249 . 1 1 54 54 THR H H 1 7.636 0.006 . 1 . . . . . 50 THR H . 11470 1 250 . 1 1 54 54 THR C C 13 174.161 0.167 . 1 . . . . . 50 THR C . 11470 1 251 . 1 1 54 54 THR CA C 13 65.312 0.184 . 1 . . . . . 50 THR CA . 11470 1 252 . 1 1 54 54 THR CB C 13 68.797 0.567 . 1 . . . . . 50 THR CB . 11470 1 253 . 1 1 54 54 THR N N 15 112.921 0.125 . 1 . . . . . 50 THR N . 11470 1 254 . 1 1 55 55 LEU H H 1 7.449 0.006 . 1 . . . . . 51 LEU H . 11470 1 255 . 1 1 55 55 LEU C C 13 178.157 0.167 . 1 . . . . . 51 LEU C . 11470 1 256 . 1 1 55 55 LEU CA C 13 55.058 0.184 . 1 . . . . . 51 LEU CA . 11470 1 257 . 1 1 55 55 LEU CB C 13 43.891 0.567 . 1 . . . . . 51 LEU CB . 11470 1 258 . 1 1 55 55 LEU N N 15 119.333 0.125 . 1 . . . . . 51 LEU N . 11470 1 259 . 1 1 56 56 LEU H H 1 7.829 0.006 . 1 . . . . . 52 LEU H . 11470 1 260 . 1 1 56 56 LEU C C 13 174.493 0.167 . 1 . . . . . 52 LEU C . 11470 1 261 . 1 1 56 56 LEU CA C 13 53.753 0.184 . 1 . . . . . 52 LEU CA . 11470 1 262 . 1 1 56 56 LEU CB C 13 43.232 0.567 . 1 . . . . . 52 LEU CB . 11470 1 263 . 1 1 56 56 LEU N N 15 121.456 0.125 . 1 . . . . . 52 LEU N . 11470 1 264 . 1 1 58 58 LYS H H 1 8.809 0.006 . 1 . . . . . 54 LYS H . 11470 1 265 . 1 1 58 58 LYS C C 13 176.538 0.167 . 1 . . . . . 54 LYS C . 11470 1 266 . 1 1 58 58 LYS CA C 13 60.45 0.184 . 1 . . . . . 54 LYS CA . 11470 1 267 . 1 1 58 58 LYS CB C 13 31.604 0.567 . 1 . . . . . 54 LYS CB . 11470 1 268 . 1 1 58 58 LYS N N 15 125.272 0.125 . 1 . . . . . 54 LYS N . 11470 1 269 . 1 1 59 59 ALA H H 1 8.899 0.006 . 1 . . . . . 55 ALA H . 11470 1 270 . 1 1 59 59 ALA C C 13 181.082 0.167 . 1 . . . . . 55 ALA C . 11470 1 271 . 1 1 59 59 ALA CA C 13 55.315 0.184 . 1 . . . . . 55 ALA CA . 11470 1 272 . 1 1 59 59 ALA CB C 13 17.714 0.567 . 1 . . . . . 55 ALA CB . 11470 1 273 . 1 1 59 59 ALA N N 15 122.011 0.125 . 1 . . . . . 55 ALA N . 11470 1 274 . 1 1 60 60 LYS H H 1 7.119 0.006 . 1 . . . . . 56 LYS H . 11470 1 275 . 1 1 60 60 LYS C C 13 177.901 0.167 . 1 . . . . . 56 LYS C . 11470 1 276 . 1 1 60 60 LYS CA C 13 58.688 0.184 . 1 . . . . . 56 LYS CA . 11470 1 277 . 1 1 60 60 LYS CB C 13 32.748 0.567 . 1 . . . . . 56 LYS CB . 11470 1 278 . 1 1 60 60 LYS N N 15 116.833 0.125 . 1 . . . . . 56 LYS N . 11470 1 279 . 1 1 61 61 ALA H H 1 8.061 0.006 . 1 . . . . . 57 ALA H . 11470 1 280 . 1 1 61 61 ALA C C 13 178.422 0.167 . 1 . . . . . 57 ALA C . 11470 1 281 . 1 1 61 61 ALA CA C 13 54.515 0.184 . 1 . . . . . 57 ALA CA . 11470 1 282 . 1 1 61 61 ALA CB C 13 17.419 0.567 . 1 . . . . . 57 ALA CB . 11470 1 283 . 1 1 61 61 ALA N N 15 121.404 0.125 . 1 . . . . . 57 ALA N . 11470 1 284 . 1 1 62 62 ALA H H 1 7.856 0.006 . 1 . . . . . 58 ALA H . 11470 1 285 . 1 1 62 62 ALA C C 13 178.327 0.167 . 1 . . . . . 58 ALA C . 11470 1 286 . 1 1 62 62 ALA CA C 13 54.768 0.184 . 1 . . . . . 58 ALA CA . 11470 1 287 . 1 1 62 62 ALA CB C 13 17.961 0.567 . 1 . . . . . 58 ALA CB . 11470 1 288 . 1 1 62 62 ALA N N 15 118.704 0.125 . 1 . . . . . 58 ALA N . 11470 1 289 . 1 1 63 63 GLU H H 1 7.316 0.006 . 1 . . . . . 59 GLU H . 11470 1 290 . 1 1 63 63 GLU C C 13 179.264 0.167 . 1 . . . . . 59 GLU C . 11470 1 291 . 1 1 63 63 GLU CA C 13 59.218 0.184 . 1 . . . . . 59 GLU CA . 11470 1 292 . 1 1 63 63 GLU CB C 13 28.635 0.567 . 1 . . . . . 59 GLU CB . 11470 1 293 . 1 1 63 63 GLU N N 15 119.021 0.125 . 1 . . . . . 59 GLU N . 11470 1 294 . 1 1 64 64 VAL H H 1 7.888 0.006 . 1 . . . . . 60 VAL H . 11470 1 295 . 1 1 64 64 VAL C C 13 177.106 0.167 . 1 . . . . . 60 VAL C . 11470 1 296 . 1 1 64 64 VAL CA C 13 66.621 0.184 . 1 . . . . . 60 VAL CA . 11470 1 297 . 1 1 64 64 VAL CB C 13 30.366 0.567 . 1 . . . . . 60 VAL CB . 11470 1 298 . 1 1 64 64 VAL N N 15 118.896 0.125 . 1 . . . . . 60 VAL N . 11470 1 299 . 1 1 65 65 LEU H H 1 8.043 0.006 . 1 . . . . . 61 LEU H . 11470 1 300 . 1 1 65 65 LEU C C 13 179.207 0.167 . 1 . . . . . 61 LEU C . 11470 1 301 . 1 1 65 65 LEU CA C 13 58.02 0.184 . 1 . . . . . 61 LEU CA . 11470 1 302 . 1 1 65 65 LEU CB C 13 40.888 0.567 . 1 . . . . . 61 LEU CB . 11470 1 303 . 1 1 65 65 LEU N N 15 117.771 0.125 . 1 . . . . . 61 LEU N . 11470 1 304 . 1 1 66 66 SER H H 1 7.987 0.006 . 1 . . . . . 62 SER H . 11470 1 305 . 1 1 66 66 SER CA C 13 60.754 0.184 . 1 . . . . . 62 SER CA . 11470 1 306 . 1 1 66 66 SER CB C 13 62.447 0.567 . 1 . . . . . 62 SER CB . 11470 1 307 . 1 1 66 66 SER N N 15 110.71 0.125 . 1 . . . . . 62 SER N . 11470 1 308 . 1 1 67 67 HIS H H 1 7.449 0.006 . 1 . . . . . 63 HIS H . 11470 1 309 . 1 1 67 67 HIS C C 13 174.095 0.167 . 1 . . . . . 63 HIS C . 11470 1 310 . 1 1 67 67 HIS CA C 13 55.953 0.184 . 1 . . . . . 63 HIS CA . 11470 1 311 . 1 1 67 67 HIS CB C 13 29.459 0.567 . 1 . . . . . 63 HIS CB . 11470 1 312 . 1 1 67 67 HIS N N 15 117.208 0.125 . 1 . . . . . 63 HIS N . 11470 1 313 . 1 1 68 68 LEU H H 1 7.082 0.006 . 1 . . . . . 64 LEU H . 11470 1 314 . 1 1 68 68 LEU C C 13 175.913 0.167 . 1 . . . . . 64 LEU C . 11470 1 315 . 1 1 68 68 LEU CA C 13 53.562 0.184 . 1 . . . . . 64 LEU CA . 11470 1 316 . 1 1 68 68 LEU CB C 13 41.17 0.567 . 1 . . . . . 64 LEU CB . 11470 1 317 . 1 1 68 68 LEU N N 15 120.716 0.125 . 1 . . . . . 64 LEU N . 11470 1 318 . 1 1 69 69 SER H H 1 8.562 0.006 . 1 . . . . . 65 SER H . 11470 1 319 . 1 1 69 69 SER C C 13 173.385 0.167 . 1 . . . . . 65 SER C . 11470 1 320 . 1 1 69 69 SER CA C 13 56.987 0.184 . 1 . . . . . 65 SER CA . 11470 1 321 . 1 1 69 69 SER CB C 13 62.117 0.567 . 1 . . . . . 65 SER CB . 11470 1 322 . 1 1 69 69 SER N N 15 116.708 0.125 . 1 . . . . . 65 SER N . 11470 1 323 . 1 1 71 71 GLU H H 1 8.638 0.006 . 1 . . . . . 67 GLU H . 11470 1 324 . 1 1 71 71 GLU C C 13 179.293 0.167 . 1 . . . . . 67 GLU C . 11470 1 325 . 1 1 71 71 GLU CA C 13 59.873 0.184 . 1 . . . . . 67 GLU CA . 11470 1 326 . 1 1 71 71 GLU CB C 13 27.892 0.567 . 1 . . . . . 67 GLU CB . 11470 1 327 . 1 1 71 71 GLU N N 15 116.208 0.125 . 1 . . . . . 67 GLU N . 11470 1 328 . 1 1 72 72 GLU H H 1 7.572 0.006 . 1 . . . . . 68 GLU H . 11470 1 329 . 1 1 72 72 GLU C C 13 178.469 0.167 . 1 . . . . . 68 GLU C . 11470 1 330 . 1 1 72 72 GLU CA C 13 58.81 0.184 . 1 . . . . . 68 GLU CA . 11470 1 331 . 1 1 72 72 GLU CB C 13 30.002 0.567 . 1 . . . . . 68 GLU CB . 11470 1 332 . 1 1 72 72 GLU N N 15 122.249 0.125 . 1 . . . . . 68 GLU N . 11470 1 333 . 1 1 73 73 GLN H H 1 8.778 0.006 . 1 . . . . . 69 GLN H . 11470 1 334 . 1 1 73 73 GLN C C 13 178.673 0.167 . 1 . . . . . 69 GLN C . 11470 1 335 . 1 1 73 73 GLN CA C 13 59.889 0.184 . 1 . . . . . 69 GLN CA . 11470 1 336 . 1 1 73 73 GLN CB C 13 28.47 0.567 . 1 . . . . . 69 GLN CB . 11470 1 337 . 1 1 73 73 GLN N N 15 117.833 0.125 . 1 . . . . . 69 GLN N . 11470 1 338 . 1 1 74 74 ALA H H 1 8.178 0.006 . 1 . . . . . 70 ALA H . 11470 1 339 . 1 1 74 74 ALA C C 13 178.52 0.167 . 1 . . . . . 70 ALA C . 11470 1 340 . 1 1 74 74 ALA CA C 13 54.92 0.184 . 1 . . . . . 70 ALA CA . 11470 1 341 . 1 1 74 74 ALA CB C 13 17.501 0.567 . 1 . . . . . 70 ALA CB . 11470 1 342 . 1 1 74 74 ALA N N 15 118.089 0.125 . 1 . . . . . 70 ALA N . 11470 1 343 . 1 1 75 75 GLU H H 1 7.123 0.006 . 1 . . . . . 71 GLU H . 11470 1 344 . 1 1 75 75 GLU C C 13 180.202 0.167 . 1 . . . . . 71 GLU C . 11470 1 345 . 1 1 75 75 GLU CA C 13 58.779 0.184 . 1 . . . . . 71 GLU CA . 11470 1 346 . 1 1 75 75 GLU CB C 13 27.727 0.567 . 1 . . . . . 71 GLU CB . 11470 1 347 . 1 1 75 75 GLU N N 15 117.032 0.125 . 1 . . . . . 71 GLU N . 11470 1 348 . 1 1 76 76 TYR H H 1 7.732 0.006 . 1 . . . . . 72 TYR H . 11470 1 349 . 1 1 76 76 TYR C C 13 178.422 0.167 . 1 . . . . . 72 TYR C . 11470 1 350 . 1 1 76 76 TYR CA C 13 61.283 0.184 . 1 . . . . . 72 TYR CA . 11470 1 351 . 1 1 76 76 TYR CB C 13 36.222 0.567 . 1 . . . . . 72 TYR CB . 11470 1 352 . 1 1 76 76 TYR N N 15 119.271 0.125 . 1 . . . . . 72 TYR N . 11470 1 353 . 1 1 77 77 LEU H H 1 8.568 0.006 . 1 . . . . . 73 LEU H . 11470 1 354 . 1 1 77 77 LEU C C 13 177.617 0.167 . 1 . . . . . 73 LEU C . 11470 1 355 . 1 1 77 77 LEU CA C 13 57.153 0.184 . 1 . . . . . 73 LEU CA . 11470 1 356 . 1 1 77 77 LEU CB C 13 40.18 0.567 . 1 . . . . . 73 LEU CB . 11470 1 357 . 1 1 77 77 LEU N N 15 119.521 0.125 . 1 . . . . . 73 LEU N . 11470 1 358 . 1 1 78 78 LYS H H 1 7.398 0.006 . 1 . . . . . 74 LYS H . 11470 1 359 . 1 1 78 78 LYS C C 13 177.759 0.167 . 1 . . . . . 74 LYS C . 11470 1 360 . 1 1 78 78 LYS CA C 13 57.594 0.184 . 1 . . . . . 74 LYS CA . 11470 1 361 . 1 1 78 78 LYS CB C 13 32.758 0.567 . 1 . . . . . 74 LYS CB . 11470 1 362 . 1 1 78 78 LYS N N 15 114.646 0.125 . 1 . . . . . 74 LYS N . 11470 1 363 . 1 1 79 79 THR H H 1 7.576 0.006 . 1 . . . . . 75 THR H . 11470 1 364 . 1 1 79 79 THR C C 13 176.85 0.167 . 1 . . . . . 75 THR C . 11470 1 365 . 1 1 79 79 THR CA C 13 62.486 0.184 . 1 . . . . . 75 THR CA . 11470 1 366 . 1 1 79 79 THR CB C 13 71.271 0.567 . 1 . . . . . 75 THR CB . 11470 1 367 . 1 1 79 79 THR N N 15 106.957 0.125 . 1 . . . . . 75 THR N . 11470 1 368 . 1 1 80 80 LEU H H 1 8.307 0.006 . 1 . . . . . 76 LEU H . 11470 1 369 . 1 1 80 80 LEU C C 13 172.476 0.167 . 1 . . . . . 76 LEU C . 11470 1 370 . 1 1 80 80 LEU CA C 13 53.979 0.184 . 1 . . . . . 76 LEU CA . 11470 1 371 . 1 1 80 80 LEU CB C 13 39.568 0.567 . 1 . . . . . 76 LEU CB . 11470 1 372 . 1 1 80 80 LEU N N 15 126.272 0.125 . 1 . . . . . 76 LEU N . 11470 1 373 . 1 1 83 83 TRP H H 1 7.201 0.006 . 1 . . . . . 79 TRP H . 11470 1 374 . 1 1 83 83 TRP C C 13 177.39 0.167 . 1 . . . . . 79 TRP C . 11470 1 375 . 1 1 83 83 TRP CA C 13 57.898 0.184 . 1 . . . . . 79 TRP CA . 11470 1 376 . 1 1 83 83 TRP CB C 13 26.408 0.567 . 1 . . . . . 79 TRP CB . 11470 1 377 . 1 1 83 83 TRP N N 15 113.153 0.125 . 1 . . . . . 79 TRP N . 11470 1 378 . 1 1 84 84 ARG H H 1 6.113 0.006 . 1 . . . . . 80 ARG H . 11470 1 379 . 1 1 84 84 ARG CA C 13 55.355 0.184 . 1 . . . . . 80 ARG CA . 11470 1 380 . 1 1 84 84 ARG CB C 13 27.48 0.567 . 1 . . . . . 80 ARG CB . 11470 1 381 . 1 1 84 84 ARG N N 15 123.813 0.125 . 1 . . . . . 80 ARG N . 11470 1 382 . 1 1 85 85 LEU H H 1 7.884 0.006 . 1 . . . . . 81 LEU H . 11470 1 383 . 1 1 85 85 LEU C C 13 178.083 0.167 . 1 . . . . . 81 LEU C . 11470 1 384 . 1 1 85 85 LEU CA C 13 57.884 0.184 . 1 . . . . . 81 LEU CA . 11470 1 385 . 1 1 85 85 LEU CB C 13 40.888 0.567 . 1 . . . . . 81 LEU CB . 11470 1 386 . 1 1 85 85 LEU N N 15 121.406 0.125 . 1 . . . . . 81 LEU N . 11470 1 387 . 1 1 86 86 ARG H H 1 7.964 0.006 . 1 . . . . . 82 ARG H . 11470 1 388 . 1 1 86 86 ARG C C 13 177.787 0.167 . 1 . . . . . 82 ARG C . 11470 1 389 . 1 1 86 86 ARG CA C 13 59.812 0.184 . 1 . . . . . 82 ARG CA . 11470 1 390 . 1 1 86 86 ARG CB C 13 29.129 0.567 . 1 . . . . . 82 ARG CB . 11470 1 391 . 1 1 86 86 ARG N N 15 116.146 0.125 . 1 . . . . . 82 ARG N . 11470 1 392 . 1 1 87 87 GLU H H 1 6.928 0.006 . 1 . . . . . 83 GLU H . 11470 1 393 . 1 1 87 87 GLU C C 13 178.412 0.167 . 1 . . . . . 83 GLU C . 11470 1 394 . 1 1 87 87 GLU CA C 13 58.445 0.184 . 1 . . . . . 83 GLU CA . 11470 1 395 . 1 1 87 87 GLU CB C 13 29.542 0.567 . 1 . . . . . 83 GLU CB . 11470 1 396 . 1 1 87 87 GLU N N 15 115.021 0.125 . 1 . . . . . 83 GLU N . 11470 1 397 . 1 1 88 88 ILE H H 1 7.85 0.006 . 1 . . . . . 84 ILE H . 11470 1 398 . 1 1 88 88 ILE C C 13 177.816 0.167 . 1 . . . . . 84 ILE C . 11470 1 399 . 1 1 88 88 ILE CA C 13 64.704 0.184 . 1 . . . . . 84 ILE CA . 11470 1 400 . 1 1 88 88 ILE CB C 13 37.211 0.567 . 1 . . . . . 84 ILE CB . 11470 1 401 . 1 1 88 88 ILE N N 15 116.646 0.125 . 1 . . . . . 84 ILE N . 11470 1 402 . 1 1 89 89 LEU H H 1 8.263 0.006 . 1 . . . . . 85 LEU H . 11470 1 403 . 1 1 89 89 LEU C C 13 178.1 0.167 . 1 . . . . . 85 LEU C . 11470 1 404 . 1 1 89 89 LEU CA C 13 57.458 0.184 . 1 . . . . . 85 LEU CA . 11470 1 405 . 1 1 89 89 LEU CB C 13 39.521 0.567 . 1 . . . . . 85 LEU CB . 11470 1 406 . 1 1 89 89 LEU N N 15 118.083 0.125 . 1 . . . . . 85 LEU N . 11470 1 407 . 1 1 90 90 GLU H H 1 7.182 0.006 . 1 . . . . . 86 GLU H . 11470 1 408 . 1 1 90 90 GLU C C 13 177.333 0.167 . 1 . . . . . 86 GLU C . 11470 1 409 . 1 1 90 90 GLU CA C 13 57.367 0.184 . 1 . . . . . 86 GLU CA . 11470 1 410 . 1 1 90 90 GLU CB C 13 28.965 0.567 . 1 . . . . . 86 GLU CB . 11470 1 411 . 1 1 90 90 GLU N N 15 114.521 0.125 . 1 . . . . . 86 GLU N . 11470 1 412 . 1 1 91 91 GLU H H 1 7.347 0.006 . 1 . . . . . 87 GLU H . 11470 1 413 . 1 1 91 91 GLU C C 13 176.367 0.167 . 1 . . . . . 87 GLU C . 11470 1 414 . 1 1 91 91 GLU CA C 13 55.635 0.184 . 1 . . . . . 87 GLU CA . 11470 1 415 . 1 1 91 91 GLU CB C 13 30.092 0.567 . 1 . . . . . 87 GLU CB . 11470 1 416 . 1 1 91 91 GLU N N 15 116.781 0.125 . 1 . . . . . 87 GLU N . 11470 1 417 . 1 1 92 92 LEU H H 1 7.148 0.006 . 1 . . . . . 88 LEU H . 11470 1 418 . 1 1 92 92 LEU C C 13 176.302 0.167 . 1 . . . . . 88 LEU C . 11470 1 419 . 1 1 92 92 LEU CA C 13 53.766 0.184 . 1 . . . . . 88 LEU CA . 11470 1 420 . 1 1 92 92 LEU CB C 13 42.819 0.567 . 1 . . . . . 88 LEU CB . 11470 1 421 . 1 1 92 92 LEU N N 15 118.735 0.125 . 1 . . . . . 88 LEU N . 11470 1 422 . 1 1 93 93 SER H H 1 8.739 0.006 . 1 . . . . . 89 SER H . 11470 1 423 . 1 1 93 93 SER C C 13 175.458 0.167 . 1 . . . . . 89 SER C . 11470 1 424 . 1 1 93 93 SER CA C 13 56.895 0.184 . 1 . . . . . 89 SER CA . 11470 1 425 . 1 1 93 93 SER CB C 13 63.519 0.567 . 1 . . . . . 89 SER CB . 11470 1 426 . 1 1 93 93 SER N N 15 116.771 0.125 . 1 . . . . . 89 SER N . 11470 1 427 . 1 1 94 94 LEU H H 1 8.634 0.006 . 1 . . . . . 90 LEU H . 11470 1 428 . 1 1 94 94 LEU C C 13 178.554 0.167 . 1 . . . . . 90 LEU C . 11470 1 429 . 1 1 94 94 LEU CA C 13 57.807 0.184 . 1 . . . . . 90 LEU CA . 11470 1 430 . 1 1 94 94 LEU CB C 13 40.18 0.567 . 1 . . . . . 90 LEU CB . 11470 1 431 . 1 1 94 94 LEU N N 15 125.474 0.125 . 1 . . . . . 90 LEU N . 11470 1 432 . 1 1 95 95 ASP H H 1 8.044 0.006 . 1 . . . . . 91 ASP H . 11470 1 433 . 1 1 95 95 ASP C C 13 178.441 0.167 . 1 . . . . . 91 ASP C . 11470 1 434 . 1 1 95 95 ASP CA C 13 56.956 0.184 . 1 . . . . . 91 ASP CA . 11470 1 435 . 1 1 95 95 ASP CB C 13 39.685 0.567 . 1 . . . . . 91 ASP CB . 11470 1 436 . 1 1 95 95 ASP N N 15 116.385 0.125 . 1 . . . . . 91 ASP N . 11470 1 437 . 1 1 96 96 ASP H H 1 7.571 0.006 . 1 . . . . . 92 ASP H . 11470 1 438 . 1 1 96 96 ASP C C 13 177.321 0.167 . 1 . . . . . 92 ASP C . 11470 1 439 . 1 1 96 96 ASP CA C 13 56.486 0.184 . 1 . . . . . 92 ASP CA . 11470 1 440 . 1 1 96 96 ASP CB C 13 40.098 0.567 . 1 . . . . . 92 ASP CB . 11470 1 441 . 1 1 96 96 ASP N N 15 118.793 0.125 . 1 . . . . . 92 ASP N . 11470 1 442 . 1 1 97 97 LEU H H 1 8.035 0.006 . 1 . . . . . 93 LEU H . 11470 1 443 . 1 1 97 97 LEU C C 13 177.321 0.167 . 1 . . . . . 93 LEU C . 11470 1 444 . 1 1 97 97 LEU CA C 13 54.967 0.184 . 1 . . . . . 93 LEU CA . 11470 1 445 . 1 1 97 97 LEU N N 15 120.39 0.125 . 1 . . . . . 93 LEU N . 11470 1 446 . 1 1 98 98 ALA H H 1 7.684 0.006 . 1 . . . . . 94 ALA H . 11470 1 447 . 1 1 98 98 ALA C C 13 179.917 0.167 . 1 . . . . . 94 ALA C . 11470 1 448 . 1 1 98 98 ALA CA C 13 56.075 0.184 . 1 . . . . . 94 ALA CA . 11470 1 449 . 1 1 98 98 ALA CB C 13 17.996 0.567 . 1 . . . . . 94 ALA CB . 11470 1 450 . 1 1 98 98 ALA N N 15 122.286 0.125 . 1 . . . . . 94 ALA N . 11470 1 451 . 1 1 99 99 ASP H H 1 7.97 0.006 . 1 . . . . . 95 ASP H . 11470 1 452 . 1 1 99 99 ASP C C 13 179.043 0.167 . 1 . . . . . 95 ASP C . 11470 1 453 . 1 1 99 99 ASP CA C 13 57.351 0.184 . 1 . . . . . 95 ASP CA . 11470 1 454 . 1 1 99 99 ASP CB C 13 39.438 0.567 . 1 . . . . . 95 ASP CB . 11470 1 455 . 1 1 99 99 ASP N N 15 117.708 0.125 . 1 . . . . . 95 ASP N . 11470 1 456 . 1 1 100 100 ALA H H 1 8.485 0.006 . 1 . . . . . 96 ALA H . 11470 1 457 . 1 1 100 100 ALA C C 13 179.605 0.167 . 1 . . . . . 96 ALA C . 11470 1 458 . 1 1 100 100 ALA CA C 13 54.647 0.184 . 1 . . . . . 96 ALA CA . 11470 1 459 . 1 1 100 100 ALA CB C 13 17.714 0.567 . 1 . . . . . 96 ALA CB . 11470 1 460 . 1 1 100 100 ALA N N 15 125.834 0.125 . 1 . . . . . 96 ALA N . 11470 1 461 . 1 1 101 101 LEU H H 1 8.612 0.006 . 1 . . . . . 97 LEU H . 11470 1 462 . 1 1 101 101 LEU C C 13 179.268 0.167 . 1 . . . . . 97 LEU C . 11470 1 463 . 1 1 101 101 LEU CA C 13 57.687 0.184 . 1 . . . . . 97 LEU CA . 11470 1 464 . 1 1 101 101 LEU CB C 13 40.51 0.567 . 1 . . . . . 97 LEU CB . 11470 1 465 . 1 1 101 101 LEU N N 15 116.583 0.125 . 1 . . . . . 97 LEU N . 11470 1 466 . 1 1 102 102 GLN H H 1 7.922 0.006 . 1 . . . . . 98 GLN H . 11470 1 467 . 1 1 102 102 GLN C C 13 177.929 0.167 . 1 . . . . . 98 GLN C . 11470 1 468 . 1 1 102 102 GLN CA C 13 58.232 0.184 . 1 . . . . . 98 GLN CA . 11470 1 469 . 1 1 102 102 GLN CB C 13 27.645 0.567 . 1 . . . . . 98 GLN CB . 11470 1 470 . 1 1 102 102 GLN N N 15 118.165 0.125 . 1 . . . . . 98 GLN N . 11470 1 471 . 1 1 103 103 ALA H H 1 7.633 0.006 . 1 . . . . . 99 ALA H . 11470 1 472 . 1 1 103 103 ALA C C 13 180.741 0.167 . 1 . . . . . 99 ALA C . 11470 1 473 . 1 1 103 103 ALA CA C 13 54.86 0.184 . 1 . . . . . 99 ALA CA . 11470 1 474 . 1 1 103 103 ALA CB C 13 16.972 0.567 . 1 . . . . . 99 ALA CB . 11470 1 475 . 1 1 103 103 ALA N N 15 122.459 0.125 . 1 . . . . . 99 ALA N . 11470 1 476 . 1 1 104 104 VAL H H 1 7.903 0.006 . 1 . . . . . 100 VAL H . 11470 1 477 . 1 1 104 104 VAL C C 13 177.039 0.167 . 1 . . . . . 100 VAL C . 11470 1 478 . 1 1 104 104 VAL CA C 13 65.919 0.184 . 1 . . . . . 100 VAL CA . 11470 1 479 . 1 1 104 104 VAL CB C 13 30.944 0.567 . 1 . . . . . 100 VAL CB . 11470 1 480 . 1 1 104 104 VAL N N 15 118.037 0.125 . 1 . . . . . 100 VAL N . 11470 1 481 . 1 1 105 105 ARG H H 1 8.008 0.006 . 1 . . . . . 101 ARG H . 11470 1 482 . 1 1 105 105 ARG C C 13 176.822 0.167 . 1 . . . . . 101 ARG C . 11470 1 483 . 1 1 105 105 ARG CA C 13 59.44 0.184 . 1 . . . . . 101 ARG CA . 11470 1 484 . 1 1 105 105 ARG CB C 13 28.717 0.567 . 1 . . . . . 101 ARG CB . 11470 1 485 . 1 1 105 105 ARG N N 15 119.959 0.125 . 1 . . . . . 101 ARG N . 11470 1 486 . 1 1 106 106 LYS H H 1 7.417 0.006 . 1 . . . . . 102 LYS H . 11470 1 487 . 1 1 106 106 LYS C C 13 177.759 0.167 . 1 . . . . . 102 LYS C . 11470 1 488 . 1 1 106 106 LYS CA C 13 58.232 0.184 . 1 . . . . . 102 LYS CA . 11470 1 489 . 1 1 106 106 LYS CB C 13 31.933 0.567 . 1 . . . . . 102 LYS CB . 11470 1 490 . 1 1 106 106 LYS N N 15 114.896 0.125 . 1 . . . . . 102 LYS N . 11470 1 491 . 1 1 107 107 GLU H H 1 7.462 0.006 . 1 . . . . . 103 GLU H . 11470 1 492 . 1 1 107 107 GLU C C 13 177.049 0.167 . 1 . . . . . 103 GLU C . 11470 1 493 . 1 1 107 107 GLU CA C 13 57.26 0.184 . 1 . . . . . 103 GLU CA . 11470 1 494 . 1 1 107 107 GLU CB C 13 30.084 0.567 . 1 . . . . . 103 GLU CB . 11470 1 495 . 1 1 107 107 GLU N N 15 116.771 0.125 . 1 . . . . . 103 GLU N . 11470 1 496 . 1 1 108 108 ASP H H 1 8.492 0.006 . 1 . . . . . 104 ASP H . 11470 1 497 . 1 1 108 108 ASP C C 13 172.362 0.167 . 1 . . . . . 104 ASP C . 11470 1 498 . 1 1 108 108 ASP CA C 13 51.365 0.184 . 1 . . . . . 104 ASP CA . 11470 1 499 . 1 1 108 108 ASP CB C 13 40.923 0.567 . 1 . . . . . 104 ASP CB . 11470 1 500 . 1 1 108 108 ASP N N 15 116.646 0.125 . 1 . . . . . 104 ASP N . 11470 1 501 . 1 1 110 110 ALA H H 1 8.127 0.006 . 1 . . . . . 106 ALA H . 11470 1 502 . 1 1 110 110 ALA C C 13 180.566 0.167 . 1 . . . . . 106 ALA C . 11470 1 503 . 1 1 110 110 ALA CA C 13 54.663 0.184 . 1 . . . . . 106 ALA CA . 11470 1 504 . 1 1 110 110 ALA CB C 13 17.666 0.567 . 1 . . . . . 106 ALA CB . 11470 1 505 . 1 1 110 110 ALA N N 15 121.197 0.125 . 1 . . . . . 106 ALA N . 11470 1 506 . 1 1 111 111 TYR H H 1 7.951 0.006 . 1 . . . . . 107 TYR H . 11470 1 507 . 1 1 111 111 TYR C C 13 177.475 0.167 . 1 . . . . . 107 TYR C . 11470 1 508 . 1 1 111 111 TYR CA C 13 60.724 0.184 . 1 . . . . . 107 TYR CA . 11470 1 509 . 1 1 111 111 TYR CB C 13 37.589 0.567 . 1 . . . . . 107 TYR CB . 11470 1 510 . 1 1 111 111 TYR N N 15 121.959 0.125 . 1 . . . . . 107 TYR N . 11470 1 511 . 1 1 112 112 PHE H H 1 8.242 0.006 . 1 . . . . . 108 PHE H . 11470 1 512 . 1 1 112 112 PHE C C 13 175.742 0.167 . 1 . . . . . 108 PHE C . 11470 1 513 . 1 1 112 112 PHE CA C 13 61.21 0.184 . 1 . . . . . 108 PHE CA . 11470 1 514 . 1 1 112 112 PHE CB C 13 38.166 0.567 . 1 . . . . . 108 PHE CB . 11470 1 515 . 1 1 112 112 PHE N N 15 119.334 0.125 . 1 . . . . . 108 PHE N . 11470 1 516 . 1 1 113 113 GLN H H 1 7.532 0.006 . 1 . . . . . 109 GLN H . 11470 1 517 . 1 1 113 113 GLN C C 13 177.463 0.167 . 1 . . . . . 109 GLN C . 11470 1 518 . 1 1 113 113 GLN CA C 13 58.354 0.184 . 1 . . . . . 109 GLN CA . 11470 1 519 . 1 1 113 113 GLN CB C 13 27.398 0.567 . 1 . . . . . 109 GLN CB . 11470 1 520 . 1 1 113 113 GLN N N 15 116.583 0.125 . 1 . . . . . 109 GLN N . 11470 1 521 . 1 1 114 114 ARG H H 1 7.142 0.006 . 1 . . . . . 110 ARG H . 11470 1 522 . 1 1 114 114 ARG C C 13 178.901 0.167 . 1 . . . . . 110 ARG C . 11470 1 523 . 1 1 114 114 ARG CA C 13 58.487 0.184 . 1 . . . . . 110 ARG CA . 11470 1 524 . 1 1 114 114 ARG CB C 13 28.8 0.567 . 1 . . . . . 110 ARG CB . 11470 1 525 . 1 1 114 114 ARG N N 15 118.562 0.125 . 1 . . . . . 110 ARG N . 11470 1 526 . 1 1 115 115 LEU H H 1 7.837 0.006 . 1 . . . . . 111 LEU H . 11470 1 527 . 1 1 115 115 LEU C C 13 178.591 0.167 . 1 . . . . . 111 LEU C . 11470 1 528 . 1 1 115 115 LEU CA C 13 57.094 0.184 . 1 . . . . . 111 LEU CA . 11470 1 529 . 1 1 115 115 LEU CB C 13 40.593 0.567 . 1 . . . . . 111 LEU CB . 11470 1 530 . 1 1 115 115 LEU N N 15 120.146 0.125 . 1 . . . . . 111 LEU N . 11470 1 531 . 1 1 116 116 LYS H H 1 7.525 0.006 . 1 . . . . . 112 LYS H . 11470 1 532 . 1 1 116 116 LYS C C 13 178.563 0.167 . 1 . . . . . 112 LYS C . 11470 1 533 . 1 1 116 116 LYS CA C 13 59.691 0.184 . 1 . . . . . 112 LYS CA . 11470 1 534 . 1 1 116 116 LYS CB C 13 30.366 0.567 . 1 . . . . . 112 LYS CB . 11470 1 535 . 1 1 116 116 LYS N N 15 116.521 0.125 . 1 . . . . . 112 LYS N . 11470 1 536 . 1 1 117 117 ASP H H 1 7.411 0.006 . 1 . . . . . 113 ASP H . 11470 1 537 . 1 1 117 117 ASP C C 13 177.253 0.167 . 1 . . . . . 113 ASP C . 11470 1 538 . 1 1 117 117 ASP CA C 13 55.953 0.184 . 1 . . . . . 113 ASP CA . 11470 1 539 . 1 1 117 117 ASP CB C 13 39.933 0.567 . 1 . . . . . 113 ASP CB . 11470 1 540 . 1 1 117 117 ASP N N 15 117.458 0.125 . 1 . . . . . 113 ASP N . 11470 1 541 . 1 1 118 118 LEU H H 1 7.455 0.006 . 1 . . . . . 114 LEU H . 11470 1 542 . 1 1 118 118 LEU C C 13 177.217 0.167 . 1 . . . . . 114 LEU C . 11470 1 543 . 1 1 118 118 LEU CA C 13 55.214 0.184 . 1 . . . . . 114 LEU CA . 11470 1 544 . 1 1 118 118 LEU CB C 13 41.417 0.567 . 1 . . . . . 114 LEU CB . 11470 1 545 . 1 1 118 118 LEU N N 15 118.646 0.125 . 1 . . . . . 114 LEU N . 11470 1 546 . 1 1 119 119 LEU H H 1 7.049 0.006 . 1 . . . . . 115 LEU H . 11470 1 547 . 1 1 119 119 LEU C C 13 176.736 0.167 . 1 . . . . . 115 LEU C . 11470 1 548 . 1 1 119 119 LEU CA C 13 53.735 0.184 . 1 . . . . . 115 LEU CA . 11470 1 549 . 1 1 119 119 LEU CB C 13 41.995 0.567 . 1 . . . . . 115 LEU CB . 11470 1 550 . 1 1 119 119 LEU N N 15 117.501 0.125 . 1 . . . . . 115 LEU N . 11470 1 551 . 1 1 120 120 ASP H H 1 8.301 0.006 . 1 . . . . . 116 ASP H . 11470 1 552 . 1 1 120 120 ASP C C 13 174.436 0.167 . 1 . . . . . 116 ASP C . 11470 1 553 . 1 1 120 120 ASP CA C 13 52.55 0.184 . 1 . . . . . 116 ASP CA . 11470 1 554 . 1 1 120 120 ASP CB C 13 40.51 0.567 . 1 . . . . . 116 ASP CB . 11470 1 555 . 1 1 120 120 ASP N N 15 121.715 0.125 . 1 . . . . . 116 ASP N . 11470 1 556 . 1 1 122 122 ARG H H 1 8.404 0.006 . 1 . . . . . 118 ARG H . 11470 1 557 . 1 1 122 122 ARG C C 13 178.441 0.167 . 1 . . . . . 118 ARG C . 11470 1 558 . 1 1 122 122 ARG CA C 13 58.709 0.184 . 1 . . . . . 118 ARG CA . 11470 1 559 . 1 1 122 122 ARG CB C 13 28.717 0.567 . 1 . . . . . 118 ARG CB . 11470 1 560 . 1 1 122 122 ARG N N 15 119.459 0.125 . 1 . . . . . 118 ARG N . 11470 1 561 . 1 1 123 123 THR H H 1 7.845 0.006 . 1 . . . . . 119 THR H . 11470 1 562 . 1 1 123 123 THR C C 13 176.334 0.167 . 1 . . . . . 119 THR C . 11470 1 563 . 1 1 123 123 THR CA C 13 65.145 0.184 . 1 . . . . . 119 THR CA . 11470 1 564 . 1 1 123 123 THR CB C 13 67.56 0.567 . 1 . . . . . 119 THR CB . 11470 1 565 . 1 1 123 123 THR N N 15 118.37 0.125 . 1 . . . . . 119 THR N . 11470 1 566 . 1 1 124 124 ARG H H 1 8.61 0.006 . 1 . . . . . 120 ARG H . 11470 1 567 . 1 1 124 124 ARG C C 13 177.096 0.167 . 1 . . . . . 120 ARG C . 11470 1 568 . 1 1 124 124 ARG CA C 13 59.204 0.184 . 1 . . . . . 120 ARG CA . 11470 1 569 . 1 1 124 124 ARG CB C 13 28.965 0.567 . 1 . . . . . 120 ARG CB . 11470 1 570 . 1 1 124 124 ARG N N 15 121.524 0.125 . 1 . . . . . 120 ARG N . 11470 1 571 . 1 1 125 125 ALA H H 1 7.602 0.006 . 1 . . . . . 121 ALA H . 11470 1 572 . 1 1 125 125 ALA C C 13 180.453 0.167 . 1 . . . . . 121 ALA C . 11470 1 573 . 1 1 125 125 ALA CA C 13 54.325 0.184 . 1 . . . . . 121 ALA CA . 11470 1 574 . 1 1 125 125 ALA CB C 13 17.419 0.567 . 1 . . . . . 121 ALA CB . 11470 1 575 . 1 1 125 125 ALA N N 15 120.146 0.125 . 1 . . . . . 121 ALA N . 11470 1 576 . 1 1 126 126 GLU H H 1 7.716 0.006 . 1 . . . . . 122 GLU H . 11470 1 577 . 1 1 126 126 GLU C C 13 178.986 0.167 . 1 . . . . . 122 GLU C . 11470 1 578 . 1 1 126 126 GLU CA C 13 58.552 0.184 . 1 . . . . . 122 GLU CA . 11470 1 579 . 1 1 126 126 GLU CB C 13 28.93 0.567 . 1 . . . . . 122 GLU CB . 11470 1 580 . 1 1 126 126 GLU N N 15 119.139 0.125 . 1 . . . . . 122 GLU N . 11470 1 581 . 1 1 127 127 VAL H H 1 8.224 0.006 . 1 . . . . . 123 VAL H . 11470 1 582 . 1 1 127 127 VAL C C 13 178.14 0.167 . 1 . . . . . 123 VAL C . 11470 1 583 . 1 1 127 127 VAL CA C 13 65.251 0.184 . 1 . . . . . 123 VAL CA . 11470 1 584 . 1 1 127 127 VAL CB C 13 30.579 0.567 . 1 . . . . . 123 VAL CB . 11470 1 585 . 1 1 127 127 VAL N N 15 119.602 0.125 . 1 . . . . . 123 VAL N . 11470 1 586 . 1 1 128 128 GLU H H 1 8.182 0.006 . 1 . . . . . 124 GLU H . 11470 1 587 . 1 1 128 128 GLU C C 13 178.22 0.167 . 1 . . . . . 124 GLU C . 11470 1 588 . 1 1 128 128 GLU CA C 13 58.499 0.184 . 1 . . . . . 124 GLU CA . 11470 1 589 . 1 1 128 128 GLU CB C 13 28.93 0.567 . 1 . . . . . 124 GLU CB . 11470 1 590 . 1 1 128 128 GLU N N 15 120.427 0.125 . 1 . . . . . 124 GLU N . 11470 1 591 . 1 1 129 129 ALA H H 1 7.585 0.006 . 1 . . . . . 125 ALA H . 11470 1 592 . 1 1 129 129 ALA C C 13 179.094 0.167 . 1 . . . . . 125 ALA C . 11470 1 593 . 1 1 129 129 ALA CA C 13 53.53 0.184 . 1 . . . . . 125 ALA CA . 11470 1 594 . 1 1 129 129 ALA CB C 13 17.914 0.567 . 1 . . . . . 125 ALA CB . 11470 1 595 . 1 1 129 129 ALA N N 15 121.08 0.125 . 1 . . . . . 125 ALA N . 11470 1 596 . 1 1 130 130 LEU H H 1 7.557 0.006 . 1 . . . . . 126 LEU H . 11470 1 597 . 1 1 130 130 LEU C C 13 177.942 0.167 . 1 . . . . . 126 LEU C . 11470 1 598 . 1 1 130 130 LEU CA C 13 56.072 0.184 . 1 . . . . . 126 LEU CA . 11470 1 599 . 1 1 130 130 LEU CB C 13 41.335 0.567 . 1 . . . . . 126 LEU CB . 11470 1 600 . 1 1 130 130 LEU N N 15 118.708 0.125 . 1 . . . . . 126 LEU N . 11470 1 601 . 1 1 131 131 ALA H H 1 7.735 0.006 . 1 . . . . . 127 ALA H . 11470 1 602 . 1 1 131 131 ALA C C 13 177.475 0.167 . 1 . . . . . 127 ALA C . 11470 1 603 . 1 1 131 131 ALA CA C 13 52.459 0.184 . 1 . . . . . 127 ALA CA . 11470 1 604 . 1 1 131 131 ALA CB C 13 18.044 0.567 . 1 . . . . . 127 ALA CB . 11470 1 605 . 1 1 131 131 ALA N N 15 121.959 0.125 . 1 . . . . . 127 ALA N . 11470 1 606 . 1 1 132 132 ARG H H 1 7.614 0.006 . 1 . . . . . 128 ARG H . 11470 1 607 . 1 1 132 132 ARG C C 13 176.14 0.167 . 1 . . . . . 128 ARG C . 11470 1 608 . 1 1 132 132 ARG CA C 13 56.358 0.184 . 1 . . . . . 128 ARG CA . 11470 1 609 . 1 1 132 132 ARG CB C 13 29.377 0.567 . 1 . . . . . 128 ARG CB . 11470 1 610 . 1 1 132 132 ARG N N 15 118.833 0.125 . 1 . . . . . 128 ARG N . 11470 1 611 . 1 1 133 133 TYR H H 1 7.85 0.006 . 1 . . . . . 129 TYR H . 11470 1 612 . 1 1 133 133 TYR C C 13 175.913 0.167 . 1 . . . . . 129 TYR C . 11470 1 613 . 1 1 133 133 TYR CA C 13 57.82 0.184 . 1 . . . . . 129 TYR CA . 11470 1 614 . 1 1 133 133 TYR CB C 13 37.871 0.567 . 1 . . . . . 129 TYR CB . 11470 1 615 . 1 1 133 133 TYR N N 15 120.396 0.125 . 1 . . . . . 129 TYR N . 11470 1 616 . 1 1 134 134 GLU H H 1 8.085 0.006 . 1 . . . . . 130 GLU H . 11470 1 617 . 1 1 134 134 GLU C C 13 176.225 0.167 . 1 . . . . . 130 GLU C . 11470 1 618 . 1 1 134 134 GLU CA C 13 56.263 0.184 . 1 . . . . . 130 GLU CA . 11470 1 619 . 1 1 134 134 GLU CB C 13 29.624 0.567 . 1 . . . . . 130 GLU CB . 11470 1 620 . 1 1 134 134 GLU N N 15 121.896 0.125 . 1 . . . . . 130 GLU N . 11470 1 621 . 1 1 135 135 GLU H H 1 8.123 0.006 . 1 . . . . . 131 GLU H . 11470 1 622 . 1 1 135 135 GLU C C 13 176.31 0.167 . 1 . . . . . 131 GLU C . 11470 1 623 . 1 1 135 135 GLU CA C 13 56.39 0.184 . 1 . . . . . 131 GLU CA . 11470 1 624 . 1 1 135 135 GLU CB C 13 29.707 0.567 . 1 . . . . . 131 GLU CB . 11470 1 625 . 1 1 135 135 GLU N N 15 121.334 0.125 . 1 . . . . . 131 GLU N . 11470 1 626 . 1 1 136 136 ASP H H 1 8.161 0.006 . 1 . . . . . 132 ASP H . 11470 1 627 . 1 1 136 136 ASP C C 13 176.452 0.167 . 1 . . . . . 132 ASP C . 11470 1 628 . 1 1 136 136 ASP CA C 13 54.116 0.184 . 1 . . . . . 132 ASP CA . 11470 1 629 . 1 1 136 136 ASP CB C 13 41.005 0.567 . 1 . . . . . 132 ASP CB . 11470 1 630 . 1 1 136 136 ASP N N 15 121.334 0.125 . 1 . . . . . 132 ASP N . 11470 1 631 . 1 1 137 137 GLU H H 1 8.258 0.006 . 1 . . . . . 133 GLU H . 11470 1 632 . 1 1 137 137 GLU C C 13 176.282 0.167 . 1 . . . . . 133 GLU C . 11470 1 633 . 1 1 137 137 GLU CA C 13 56.612 0.184 . 1 . . . . . 133 GLU CA . 11470 1 634 . 1 1 137 137 GLU CB C 13 29.047 0.567 . 1 . . . . . 133 GLU CB . 11470 1 635 . 1 1 137 137 GLU N N 15 121.805 0.125 . 1 . . . . . 133 GLU N . 11470 1 636 . 1 1 138 138 ALA H H 1 8.097 0.006 . 1 . . . . . 134 ALA H . 11470 1 637 . 1 1 138 138 ALA C C 13 177.702 0.167 . 1 . . . . . 134 ALA C . 11470 1 638 . 1 1 138 138 ALA CA C 13 52.141 0.184 . 1 . . . . . 134 ALA CA . 11470 1 639 . 1 1 138 138 ALA CB C 13 18.573 0.567 . 1 . . . . . 134 ALA CB . 11470 1 640 . 1 1 138 138 ALA N N 15 123.896 0.125 . 1 . . . . . 134 ALA N . 11470 1 641 . 1 1 139 139 GLY H H 1 7.993 0.006 . 1 . . . . . 135 GLY H . 11470 1 642 . 1 1 139 139 GLY C C 13 174.048 0.167 . 1 . . . . . 135 GLY C . 11470 1 643 . 1 1 139 139 GLY CA C 13 45.106 0.184 . 1 . . . . . 135 GLY CA . 11470 1 644 . 1 1 139 139 GLY N N 15 107.404 0.125 . 1 . . . . . 135 GLY N . 11470 1 645 . 1 1 140 140 GLY H H 1 7.532 0.006 . 1 . . . . . 136 GLY H . 11470 1 646 . 1 1 140 140 GLY C C 13 172.135 0.167 . 1 . . . . . 136 GLY C . 11470 1 647 . 1 1 140 140 GLY CA C 13 43.709 0.184 . 1 . . . . . 136 GLY CA . 11470 1 648 . 1 1 140 140 GLY N N 15 107.403 0.125 . 1 . . . . . 136 GLY N . 11470 1 649 . 1 1 142 142 MET H H 1 8.575 0.006 . 1 . . . . . 138 MET H . 11470 1 650 . 1 1 142 142 MET C C 13 174.464 0.167 . 1 . . . . . 138 MET C . 11470 1 651 . 1 1 142 142 MET CA C 13 54.617 0.184 . 1 . . . . . 138 MET CA . 11470 1 652 . 1 1 142 142 MET CB C 13 34.29 0.567 . 1 . . . . . 138 MET CB . 11470 1 653 . 1 1 142 142 MET N N 15 123.448 0.125 . 1 . . . . . 138 MET N . 11470 1 654 . 1 1 143 143 THR H H 1 8.494 0.006 . 1 . . . . . 139 THR H . 11470 1 655 . 1 1 143 143 THR C C 13 172.214 0.167 . 1 . . . . . 139 THR C . 11470 1 656 . 1 1 143 143 THR CA C 13 58.81 0.184 . 1 . . . . . 139 THR CA . 11470 1 657 . 1 1 143 143 THR CB C 13 68.715 0.567 . 1 . . . . . 139 THR CB . 11470 1 658 . 1 1 143 143 THR N N 15 119.88 0.125 . 1 . . . . . 139 THR N . 11470 1 659 . 1 1 145 145 GLU H H 1 8.421 0.006 . 1 . . . . . 141 GLU H . 11470 1 660 . 1 1 145 145 GLU C C 13 176.757 0.167 . 1 . . . . . 141 GLU C . 11470 1 661 . 1 1 145 145 GLU CA C 13 55.028 0.184 . 1 . . . . . 141 GLU CA . 11470 1 662 . 1 1 145 145 GLU CB C 13 29.26 0.567 . 1 . . . . . 141 GLU CB . 11470 1 663 . 1 1 145 145 GLU N N 15 122.762 0.125 . 1 . . . . . 141 GLU N . 11470 1 664 . 1 1 152 152 GLY H H 1 8.026 0.006 . 1 . . . . . 148 GLY H . 11470 1 665 . 1 1 152 152 GLY C C 13 175.487 0.167 . 1 . . . . . 148 GLY C . 11470 1 666 . 1 1 152 152 GLY CA C 13 44.468 0.184 . 1 . . . . . 148 GLY CA . 11470 1 667 . 1 1 152 152 GLY N N 15 103.777 0.125 . 1 . . . . . 148 GLY N . 11470 1 668 . 1 1 153 153 MET H H 1 7.348 0.006 . 1 . . . . . 149 MET H . 11470 1 669 . 1 1 153 153 MET C C 13 176.055 0.167 . 1 . . . . . 149 MET C . 11470 1 670 . 1 1 153 153 MET CA C 13 56.379 0.184 . 1 . . . . . 149 MET CA . 11470 1 671 . 1 1 153 153 MET CB C 13 34.243 0.567 . 1 . . . . . 149 MET CB . 11470 1 672 . 1 1 153 153 MET N N 15 119.847 0.125 . 1 . . . . . 149 MET N . 11470 1 673 . 1 1 154 154 THR H H 1 8.568 0.006 . 1 . . . . . 150 THR H . 11470 1 674 . 1 1 154 154 THR C C 13 176.531 0.167 . 1 . . . . . 150 THR C . 11470 1 675 . 1 1 154 154 THR CA C 13 60.025 0.184 . 1 . . . . . 150 THR CA . 11470 1 676 . 1 1 154 154 THR CB C 13 71.024 0.567 . 1 . . . . . 150 THR CB . 11470 1 677 . 1 1 154 154 THR N N 15 111.208 0.125 . 1 . . . . . 150 THR N . 11470 1 678 . 1 1 155 155 VAL H H 1 8.556 0.006 . 1 . . . . . 151 VAL H . 11470 1 679 . 1 1 155 155 VAL C C 13 177.858 0.167 . 1 . . . . . 151 VAL C . 11470 1 680 . 1 1 155 155 VAL CA C 13 67.226 0.184 . 1 . . . . . 151 VAL CA . 11470 1 681 . 1 1 155 155 VAL CB C 13 30.861 0.567 . 1 . . . . . 151 VAL CB . 11470 1 682 . 1 1 155 155 VAL N N 15 123.373 0.125 . 1 . . . . . 151 VAL N . 11470 1 683 . 1 1 156 156 GLU H H 1 8.911 0.006 . 1 . . . . . 152 GLU H . 11470 1 684 . 1 1 156 156 GLU C C 13 178.895 0.167 . 1 . . . . . 152 GLU C . 11470 1 685 . 1 1 156 156 GLU CA C 13 59.356 0.184 . 1 . . . . . 152 GLU CA . 11470 1 686 . 1 1 156 156 GLU CB C 13 28.552 0.567 . 1 . . . . . 152 GLU CB . 11470 1 687 . 1 1 156 156 GLU N N 15 119.15 0.125 . 1 . . . . . 152 GLU N . 11470 1 688 . 1 1 157 157 GLU H H 1 7.661 0.006 . 1 . . . . . 153 GLU H . 11470 1 689 . 1 1 157 157 GLU C C 13 177.209 0.167 . 1 . . . . . 153 GLU C . 11470 1 690 . 1 1 157 157 GLU CA C 13 59.13 0.184 . 1 . . . . . 153 GLU CA . 11470 1 691 . 1 1 157 157 GLU CB C 13 29.177 0.567 . 1 . . . . . 153 GLU CB . 11470 1 692 . 1 1 157 157 GLU N N 15 119.162 0.125 . 1 . . . . . 153 GLU N . 11470 1 693 . 1 1 175 175 ILE H H 1 8.352 0.006 . 1 . . . . . 171 ILE H . 11470 1 694 . 1 1 175 175 ILE C C 13 174.635 0.167 . 1 . . . . . 171 ILE C . 11470 1 695 . 1 1 175 175 ILE CA C 13 59.758 0.184 . 1 . . . . . 171 ILE CA . 11470 1 696 . 1 1 175 175 ILE CB C 13 38.991 0.567 . 1 . . . . . 171 ILE CB . 11470 1 697 . 1 1 175 175 ILE N N 15 121.771 0.125 . 1 . . . . . 171 ILE N . 11470 1 698 . 1 1 180 180 GLU H H 1 9.031 0.006 . 1 . . . . . 176 GLU H . 11470 1 699 . 1 1 180 180 GLU C C 13 176.672 0.167 . 1 . . . . . 176 GLU C . 11470 1 700 . 1 1 180 180 GLU CA C 13 58.718 0.184 . 1 . . . . . 176 GLU CA . 11470 1 701 . 1 1 180 180 GLU CB C 13 27.892 0.567 . 1 . . . . . 176 GLU CB . 11470 1 702 . 1 1 180 180 GLU N N 15 117.897 0.125 . 1 . . . . . 176 GLU N . 11470 1 703 . 1 1 181 181 LYS H H 1 7.905 0.006 . 1 . . . . . 177 LYS H . 11470 1 704 . 1 1 181 181 LYS C C 13 176.396 0.167 . 1 . . . . . 177 LYS C . 11470 1 705 . 1 1 181 181 LYS CA C 13 54.724 0.184 . 1 . . . . . 177 LYS CA . 11470 1 706 . 1 1 181 181 LYS CB C 13 31.569 0.567 . 1 . . . . . 177 LYS CB . 11470 1 707 . 1 1 181 181 LYS N N 15 119.005 0.125 . 1 . . . . . 177 LYS N . 11470 1 708 . 1 1 182 182 GLY H H 1 7.87 0.006 . 1 . . . . . 178 GLY H . 11470 1 709 . 1 1 182 182 GLY C C 13 174.521 0.167 . 1 . . . . . 178 GLY C . 11470 1 710 . 1 1 182 182 GLY CA C 13 44.545 0.184 . 1 . . . . . 178 GLY CA . 11470 1 711 . 1 1 182 182 GLY N N 15 107.014 0.125 . 1 . . . . . 178 GLY N . 11470 1 712 . 1 1 183 183 ARG H H 1 8.611 0.006 . 1 . . . . . 179 ARG H . 11470 1 713 . 1 1 183 183 ARG C C 13 176.277 0.167 . 1 . . . . . 179 ARG C . 11470 1 714 . 1 1 183 183 ARG CA C 13 55.992 0.184 . 1 . . . . . 179 ARG CA . 11470 1 715 . 1 1 183 183 ARG CB C 13 28.8 0.567 . 1 . . . . . 179 ARG CB . 11470 1 716 . 1 1 183 183 ARG N N 15 121.946 0.125 . 1 . . . . . 179 ARG N . 11470 1 717 . 1 1 184 184 LEU H H 1 7.481 0.006 . 1 . . . . . 180 LEU H . 11470 1 718 . 1 1 184 184 LEU C C 13 175.854 0.167 . 1 . . . . . 180 LEU C . 11470 1 719 . 1 1 184 184 LEU CA C 13 55.948 0.184 . 1 . . . . . 180 LEU CA . 11470 1 720 . 1 1 184 184 LEU CB C 13 41.877 0.567 . 1 . . . . . 180 LEU CB . 11470 1 721 . 1 1 184 184 LEU N N 15 121.964 0.125 . 1 . . . . . 180 LEU N . 11470 1 722 . 1 1 185 185 LYS H H 1 9.464 0.006 . 1 . . . . . 181 LYS H . 11470 1 723 . 1 1 185 185 LYS C C 13 175.854 0.167 . 1 . . . . . 181 LYS C . 11470 1 724 . 1 1 185 185 LYS CA C 13 53.644 0.184 . 1 . . . . . 181 LYS CA . 11470 1 725 . 1 1 185 185 LYS CB C 13 32.841 0.567 . 1 . . . . . 181 LYS CB . 11470 1 726 . 1 1 185 185 LYS N N 15 126.139 0.125 . 1 . . . . . 181 LYS N . 11470 1 727 . 1 1 186 186 GLY H H 1 7.564 0.006 . 1 . . . . . 182 GLY H . 11470 1 728 . 1 1 186 186 GLY C C 13 170.8 0.167 . 1 . . . . . 182 GLY C . 11470 1 729 . 1 1 186 186 GLY CA C 13 46.352 0.184 . 1 . . . . . 182 GLY CA . 11470 1 730 . 1 1 186 186 GLY N N 15 103.131 0.125 . 1 . . . . . 182 GLY N . 11470 1 731 . 1 1 187 187 VAL H H 1 8.352 0.006 . 1 . . . . . 183 VAL H . 11470 1 732 . 1 1 187 187 VAL C C 13 172.362 0.167 . 1 . . . . . 183 VAL C . 11470 1 733 . 1 1 187 187 VAL CA C 13 59.782 0.184 . 1 . . . . . 183 VAL CA . 11470 1 734 . 1 1 187 187 VAL CB C 13 35.067 0.567 . 1 . . . . . 183 VAL CB . 11470 1 735 . 1 1 187 187 VAL N N 15 117.583 0.125 . 1 . . . . . 183 VAL N . 11470 1 736 . 1 1 199 199 ARG H H 1 8.405 0.006 . 1 . . . . . 195 ARG H . 11470 1 737 . 1 1 199 199 ARG C C 13 176.822 0.167 . 1 . . . . . 195 ARG C . 11470 1 738 . 1 1 199 199 ARG CA C 13 55.909 0.184 . 1 . . . . . 195 ARG CA . 11470 1 739 . 1 1 199 199 ARG CB C 13 29.212 0.567 . 1 . . . . . 195 ARG CB . 11470 1 740 . 1 1 199 199 ARG N N 15 114.34 0.125 . 1 . . . . . 195 ARG N . 11470 1 741 . 1 1 200 200 THR H H 1 7.875 0.006 . 1 . . . . . 196 THR H . 11470 1 742 . 1 1 200 200 THR C C 13 173.499 0.167 . 1 . . . . . 196 THR C . 11470 1 743 . 1 1 200 200 THR CA C 13 63.625 0.184 . 1 . . . . . 196 THR CA . 11470 1 744 . 1 1 200 200 THR CB C 13 69.191 0.567 . 1 . . . . . 196 THR CB . 11470 1 745 . 1 1 200 200 THR N N 15 118.546 0.125 . 1 . . . . . 196 THR N . 11470 1 746 . 1 1 201 201 ARG H H 1 8.65 0.006 . 1 . . . . . 197 ARG H . 11470 1 747 . 1 1 201 201 ARG C C 13 178.563 0.167 . 1 . . . . . 197 ARG C . 11470 1 748 . 1 1 201 201 ARG CA C 13 55.498 0.184 . 1 . . . . . 197 ARG CA . 11470 1 749 . 1 1 201 201 ARG CB C 13 29.872 0.567 . 1 . . . . . 197 ARG CB . 11470 1 750 . 1 1 201 201 ARG N N 15 125.147 0.125 . 1 . . . . . 197 ARG N . 11470 1 751 . 1 1 204 204 GLU H H 1 7.662 0.006 . 1 . . . . . 200 GLU H . 11470 1 752 . 1 1 204 204 GLU C C 13 177.56 0.167 . 1 . . . . . 200 GLU C . 11470 1 753 . 1 1 204 204 GLU CA C 13 57.564 0.184 . 1 . . . . . 200 GLU CA . 11470 1 754 . 1 1 204 204 GLU CB C 13 29.707 0.567 . 1 . . . . . 200 GLU CB . 11470 1 755 . 1 1 204 204 GLU N N 15 112.962 0.125 . 1 . . . . . 200 GLU N . 11470 1 756 . 1 1 205 205 ILE H H 1 7.176 0.006 . 1 . . . . . 201 ILE H . 11470 1 757 . 1 1 205 205 ILE C C 13 175.799 0.167 . 1 . . . . . 201 ILE C . 11470 1 758 . 1 1 205 205 ILE CA C 13 60.39 0.184 . 1 . . . . . 201 ILE CA . 11470 1 759 . 1 1 205 205 ILE CB C 13 39.058 0.567 . 1 . . . . . 201 ILE CB . 11470 1 760 . 1 1 205 205 ILE N N 15 109.512 0.125 . 1 . . . . . 201 ILE N . 11470 1 761 . 1 1 206 206 MET H H 1 7.493 0.006 . 1 . . . . . 202 MET H . 11470 1 762 . 1 1 206 206 MET C C 13 172.533 0.167 . 1 . . . . . 202 MET C . 11470 1 763 . 1 1 206 206 MET CA C 13 55.103 0.184 . 1 . . . . . 202 MET CA . 11470 1 764 . 1 1 206 206 MET CB C 13 31.521 0.567 . 1 . . . . . 202 MET CB . 11470 1 765 . 1 1 206 206 MET N N 15 119.604 0.125 . 1 . . . . . 202 MET N . 11470 1 766 . 1 1 207 207 ASN H H 1 8.997 0.006 . 1 . . . . . 203 ASN H . 11470 1 767 . 1 1 207 207 ASN C C 13 175.345 0.167 . 1 . . . . . 203 ASN C . 11470 1 768 . 1 1 207 207 ASN CA C 13 49.285 0.184 . 1 . . . . . 203 ASN CA . 11470 1 769 . 1 1 207 207 ASN CB C 13 38.331 0.567 . 1 . . . . . 203 ASN CB . 11470 1 770 . 1 1 207 207 ASN N N 15 120.937 0.125 . 1 . . . . . 203 ASN N . 11470 1 771 . 1 1 209 209 LYS H H 1 7.85 0.006 . 1 . . . . . 205 LYS H . 11470 1 772 . 1 1 209 209 LYS C C 13 174.606 0.167 . 1 . . . . . 205 LYS C . 11470 1 773 . 1 1 209 209 LYS CA C 13 54.829 0.184 . 1 . . . . . 205 LYS CA . 11470 1 774 . 1 1 209 209 LYS CB C 13 29.212 0.567 . 1 . . . . . 205 LYS CB . 11470 1 775 . 1 1 209 209 LYS N N 15 123.497 0.125 . 1 . . . . . 205 LYS N . 11470 1 776 . 1 1 210 210 VAL H H 1 7.252 0.006 . 1 . . . . . 206 VAL H . 11470 1 777 . 1 1 210 210 VAL C C 13 174.152 0.167 . 1 . . . . . 206 VAL C . 11470 1 778 . 1 1 210 210 VAL CA C 13 59.44 0.184 . 1 . . . . . 206 VAL CA . 11470 1 779 . 1 1 210 210 VAL CB C 13 32.728 0.567 . 1 . . . . . 206 VAL CB . 11470 1 780 . 1 1 210 210 VAL N N 15 120.959 0.125 . 1 . . . . . 206 VAL N . 11470 1 781 . 1 1 211 211 VAL H H 1 7.85 0.006 . 1 . . . . . 207 VAL H . 11470 1 782 . 1 1 211 211 VAL C C 13 173.669 0.167 . 1 . . . . . 207 VAL C . 11470 1 783 . 1 1 211 211 VAL CA C 13 62.091 0.184 . 1 . . . . . 207 VAL CA . 11470 1 784 . 1 1 211 211 VAL CB C 13 30.249 0.567 . 1 . . . . . 207 VAL CB . 11470 1 785 . 1 1 211 211 VAL N N 15 128.834 0.125 . 1 . . . . . 207 VAL N . 11470 1 786 . 1 1 212 212 TYR H H 1 7.063 0.006 . 1 . . . . . 208 TYR H . 11470 1 787 . 1 1 212 212 TYR C C 13 173.243 0.167 . 1 . . . . . 208 TYR C . 11470 1 788 . 1 1 212 212 TYR CA C 13 54.495 0.184 . 1 . . . . . 208 TYR CA . 11470 1 789 . 1 1 212 212 TYR CB C 13 41.252 0.567 . 1 . . . . . 208 TYR CB . 11470 1 790 . 1 1 212 212 TYR N N 15 120.641 0.125 . 1 . . . . . 208 TYR N . 11470 1 791 . 1 1 213 213 VAL H H 1 8.288 0.006 . 1 . . . . . 209 VAL H . 11470 1 792 . 1 1 213 213 VAL C C 13 174.01 0.167 . 1 . . . . . 209 VAL C . 11470 1 793 . 1 1 213 213 VAL CA C 13 58.627 0.184 . 1 . . . . . 209 VAL CA . 11470 1 794 . 1 1 213 213 VAL CB C 13 33.583 0.567 . 1 . . . . . 209 VAL CB . 11470 1 795 . 1 1 213 213 VAL N N 15 111.645 0.125 . 1 . . . . . 209 VAL N . 11470 1 796 . 1 1 214 214 ARG H H 1 8.349 0.006 . 1 . . . . . 210 ARG H . 11470 1 797 . 1 1 214 214 ARG C C 13 179.633 0.167 . 1 . . . . . 210 ARG C . 11470 1 798 . 1 1 214 214 ARG CA C 13 53.766 0.184 . 1 . . . . . 210 ARG CA . 11470 1 799 . 1 1 214 214 ARG CB C 13 32.888 0.567 . 1 . . . . . 210 ARG CB . 11470 1 800 . 1 1 214 214 ARG N N 15 118.64 0.125 . 1 . . . . . 210 ARG N . 11470 1 801 . 1 1 215 215 THR H H 1 8.11 0.006 . 1 . . . . . 211 THR H . 11470 1 802 . 1 1 215 215 THR C C 13 175.032 0.167 . 1 . . . . . 211 THR C . 11470 1 803 . 1 1 215 215 THR CA C 13 63.884 0.184 . 1 . . . . . 211 THR CA . 11470 1 804 . 1 1 215 215 THR CB C 13 67.972 0.567 . 1 . . . . . 211 THR CB . 11470 1 805 . 1 1 215 215 THR N N 15 112.833 0.125 . 1 . . . . . 211 THR N . 11470 1 806 . 1 1 216 216 ASP H H 1 7.789 0.006 . 1 . . . . . 212 ASP H . 11470 1 807 . 1 1 216 216 ASP C C 13 176.396 0.167 . 1 . . . . . 212 ASP C . 11470 1 808 . 1 1 216 216 ASP CA C 13 52.399 0.184 . 1 . . . . . 212 ASP CA . 11470 1 809 . 1 1 216 216 ASP CB C 13 39.356 0.567 . 1 . . . . . 212 ASP CB . 11470 1 810 . 1 1 216 216 ASP N N 15 116.209 0.125 . 1 . . . . . 212 ASP N . 11470 1 811 . 1 1 217 217 THR H H 1 7.424 0.006 . 1 . . . . . 213 THR H . 11470 1 812 . 1 1 217 217 THR C C 13 174.095 0.167 . 1 . . . . . 213 THR C . 11470 1 813 . 1 1 217 217 THR CA C 13 64.143 0.184 . 1 . . . . . 213 THR CA . 11470 1 814 . 1 1 217 217 THR CB C 13 68.467 0.567 . 1 . . . . . 213 THR CB . 11470 1 815 . 1 1 217 217 THR N N 15 120.334 0.125 . 1 . . . . . 213 THR N . 11470 1 816 . 1 1 218 218 ASP H H 1 8.708 0.006 . 1 . . . . . 214 ASP H . 11470 1 817 . 1 1 218 218 ASP C C 13 177.162 0.167 . 1 . . . . . 214 ASP C . 11470 1 818 . 1 1 218 218 ASP CA C 13 54.556 0.184 . 1 . . . . . 214 ASP CA . 11470 1 819 . 1 1 218 218 ASP CB C 13 41.548 0.567 . 1 . . . . . 214 ASP CB . 11470 1 820 . 1 1 218 218 ASP N N 15 128.397 0.125 . 1 . . . . . 214 ASP N . 11470 1 821 . 1 1 219 219 GLN H H 1 8.743 0.006 . 1 . . . . . 215 GLN H . 11470 1 822 . 1 1 219 219 GLN C C 13 177.716 0.167 . 1 . . . . . 215 GLN C . 11470 1 823 . 1 1 219 219 GLN CA C 13 59.448 0.184 . 1 . . . . . 215 GLN CA . 11470 1 824 . 1 1 219 219 GLN CB C 13 27.81 0.567 . 1 . . . . . 215 GLN CB . 11470 1 825 . 1 1 219 219 GLN N N 15 123.448 0.125 . 1 . . . . . 215 GLN N . 11470 1 826 . 1 1 220 220 GLU H H 1 8.727 0.006 . 1 . . . . . 216 GLU H . 11470 1 827 . 1 1 220 220 GLU C C 13 178.98 0.167 . 1 . . . . . 216 GLU C . 11470 1 828 . 1 1 220 220 GLU CA C 13 59.25 0.184 . 1 . . . . . 216 GLU CA . 11470 1 829 . 1 1 220 220 GLU CB C 13 27.973 0.567 . 1 . . . . . 216 GLU CB . 11470 1 830 . 1 1 220 220 GLU N N 15 118.896 0.125 . 1 . . . . . 216 GLU N . 11470 1 831 . 1 1 221 221 GLU H H 1 7.43 0.006 . 1 . . . . . 217 GLU H . 11470 1 832 . 1 1 221 221 GLU C C 13 178.696 0.167 . 1 . . . . . 217 GLU C . 11470 1 833 . 1 1 221 221 GLU CA C 13 58.233 0.184 . 1 . . . . . 217 GLU CA . 11470 1 834 . 1 1 221 221 GLU N N 15 120.896 0.125 . 1 . . . . . 217 GLU N . 11470 1 835 . 1 1 222 222 VAL H H 1 7.694 0.006 . 1 . . . . . 218 VAL H . 11470 1 836 . 1 1 222 222 VAL C C 13 177.418 0.167 . 1 . . . . . 218 VAL C . 11470 1 837 . 1 1 222 222 VAL CA C 13 66.812 0.184 . 1 . . . . . 218 VAL CA . 11470 1 838 . 1 1 222 222 VAL CB C 13 30.531 0.567 . 1 . . . . . 218 VAL CB . 11470 1 839 . 1 1 222 222 VAL N N 15 120.079 0.125 . 1 . . . . . 218 VAL N . 11470 1 840 . 1 1 223 223 ALA H H 1 7.977 0.006 . 1 . . . . . 219 ALA H . 11470 1 841 . 1 1 223 223 ALA C C 13 180.312 0.167 . 1 . . . . . 219 ALA C . 11470 1 842 . 1 1 223 223 ALA CA C 13 54.865 0.184 . 1 . . . . . 219 ALA CA . 11470 1 843 . 1 1 223 223 ALA CB C 13 17.501 0.567 . 1 . . . . . 219 ALA CB . 11470 1 844 . 1 1 223 223 ALA N N 15 119.333 0.125 . 1 . . . . . 219 ALA N . 11470 1 845 . 1 1 224 224 ARG H H 1 7.709 0.006 . 1 . . . . . 220 ARG H . 11470 1 846 . 1 1 224 224 ARG C C 13 178.111 0.167 . 1 . . . . . 220 ARG C . 11470 1 847 . 1 1 224 224 ARG CA C 13 58.931 0.184 . 1 . . . . . 220 ARG CA . 11470 1 848 . 1 1 224 224 ARG CB C 13 28.93 0.567 . 1 . . . . . 220 ARG CB . 11470 1 849 . 1 1 224 224 ARG N N 15 119.378 0.125 . 1 . . . . . 220 ARG N . 11470 1 850 . 1 1 225 225 LEU H H 1 7.932 0.006 . 1 . . . . . 221 LEU H . 11470 1 851 . 1 1 225 225 LEU C C 13 179.494 0.167 . 1 . . . . . 221 LEU C . 11470 1 852 . 1 1 225 225 LEU CA C 13 57.979 0.184 . 1 . . . . . 221 LEU CA . 11470 1 853 . 1 1 225 225 LEU CB C 13 41.665 0.567 . 1 . . . . . 221 LEU CB . 11470 1 854 . 1 1 225 225 LEU N N 15 120.771 0.125 . 1 . . . . . 221 LEU N . 11470 1 855 . 1 1 226 226 MET H H 1 8.034 0.006 . 1 . . . . . 222 MET H . 11470 1 856 . 1 1 226 226 MET C C 13 178.422 0.167 . 1 . . . . . 222 MET C . 11470 1 857 . 1 1 226 226 MET CA C 13 59.934 0.184 . 1 . . . . . 222 MET CA . 11470 1 858 . 1 1 226 226 MET CB C 13 31.274 0.567 . 1 . . . . . 222 MET CB . 11470 1 859 . 1 1 226 226 MET N N 15 115.958 0.125 . 1 . . . . . 222 MET N . 11470 1 860 . 1 1 227 227 ALA H H 1 7.757 0.006 . 1 . . . . . 223 ALA H . 11470 1 861 . 1 1 227 227 ALA C C 13 180.372 0.167 . 1 . . . . . 223 ALA C . 11470 1 862 . 1 1 227 227 ALA CA C 13 54.07 0.184 . 1 . . . . . 223 ALA CA . 11470 1 863 . 1 1 227 227 ALA CB C 13 17.914 0.567 . 1 . . . . . 223 ALA CB . 11470 1 864 . 1 1 227 227 ALA N N 15 119.953 0.125 . 1 . . . . . 223 ALA N . 11470 1 865 . 1 1 228 228 ASP H H 1 8.587 0.006 . 1 . . . . . 224 ASP H . 11470 1 866 . 1 1 228 228 ASP C C 13 177.873 0.167 . 1 . . . . . 224 ASP C . 11470 1 867 . 1 1 228 228 ASP CA C 13 56.282 0.184 . 1 . . . . . 224 ASP CA . 11470 1 868 . 1 1 228 228 ASP CB C 13 39.603 0.567 . 1 . . . . . 224 ASP CB . 11470 1 869 . 1 1 228 228 ASP N N 15 118.583 0.125 . 1 . . . . . 224 ASP N . 11470 1 870 . 1 1 229 229 TYR H H 1 7.468 0.006 . 1 . . . . . 225 TYR H . 11470 1 871 . 1 1 229 229 TYR C C 13 174.123 0.167 . 1 . . . . . 225 TYR C . 11470 1 872 . 1 1 229 229 TYR CA C 13 57.685 0.184 . 1 . . . . . 225 TYR CA . 11470 1 873 . 1 1 229 229 TYR CB C 13 37.871 0.567 . 1 . . . . . 225 TYR CB . 11470 1 874 . 1 1 229 229 TYR N N 15 115.143 0.125 . 1 . . . . . 225 TYR N . 11470 1 875 . 1 1 230 230 ASP H H 1 7.53 0.006 . 1 . . . . . 226 ASP H . 11470 1 876 . 1 1 230 230 ASP C C 13 175.004 0.167 . 1 . . . . . 226 ASP C . 11470 1 877 . 1 1 230 230 ASP CA C 13 54.769 0.184 . 1 . . . . . 226 ASP CA . 11470 1 878 . 1 1 230 230 ASP CB C 13 38.201 0.567 . 1 . . . . . 226 ASP CB . 11470 1 879 . 1 1 230 230 ASP N N 15 118.565 0.125 . 1 . . . . . 226 ASP N . 11470 1 880 . 1 1 231 231 PHE H H 1 8.065 0.006 . 1 . . . . . 227 PHE H . 11470 1 881 . 1 1 231 231 PHE C C 13 176.367 0.167 . 1 . . . . . 227 PHE C . 11470 1 882 . 1 1 231 231 PHE CA C 13 56.014 0.184 . 1 . . . . . 227 PHE CA . 11470 1 883 . 1 1 231 231 PHE CB C 13 41.912 0.567 . 1 . . . . . 227 PHE CB . 11470 1 884 . 1 1 231 231 PHE N N 15 116.783 0.125 . 1 . . . . . 227 PHE N . 11470 1 885 . 1 1 232 232 THR H H 1 8.657 0.006 . 1 . . . . . 228 THR H . 11470 1 886 . 1 1 232 232 THR C C 13 174.01 0.167 . 1 . . . . . 228 THR C . 11470 1 887 . 1 1 232 232 THR CA C 13 61.848 0.184 . 1 . . . . . 228 THR CA . 11470 1 888 . 1 1 232 232 THR CB C 13 69.127 0.567 . 1 . . . . . 228 THR CB . 11470 1 889 . 1 1 232 232 THR N N 15 109.523 0.125 . 1 . . . . . 228 THR N . 11470 1 890 . 1 1 233 233 VAL H H 1 7.397 0.006 . 1 . . . . . 229 VAL H . 11470 1 891 . 1 1 233 233 VAL C C 13 174.549 0.167 . 1 . . . . . 229 VAL C . 11470 1 892 . 1 1 233 233 VAL CA C 13 60.086 0.184 . 1 . . . . . 229 VAL CA . 11470 1 893 . 1 1 233 233 VAL CB C 13 34.325 0.567 . 1 . . . . . 229 VAL CB . 11470 1 894 . 1 1 233 233 VAL N N 15 120.048 0.125 . 1 . . . . . 229 VAL N . 11470 1 895 . 1 1 234 234 LEU H H 1 8.658 0.006 . 1 . . . . . 230 LEU H . 11470 1 896 . 1 1 234 234 LEU C C 13 172.987 0.167 . 1 . . . . . 230 LEU C . 11470 1 897 . 1 1 234 234 LEU CA C 13 51.122 0.184 . 1 . . . . . 230 LEU CA . 11470 1 898 . 1 1 234 234 LEU CB C 13 44.963 0.567 . 1 . . . . . 230 LEU CB . 11470 1 899 . 1 1 234 234 LEU N N 15 124.624 0.125 . 1 . . . . . 230 LEU N . 11470 1 900 . 1 1 236 236 VAL H H 1 8.008 0.006 . 1 . . . . . 232 VAL H . 11470 1 901 . 1 1 236 236 VAL C C 13 175.884 0.167 . 1 . . . . . 232 VAL C . 11470 1 902 . 1 1 236 236 VAL CA C 13 59.663 0.184 . 1 . . . . . 232 VAL CA . 11470 1 903 . 1 1 236 236 VAL CB C 13 32.346 0.567 . 1 . . . . . 232 VAL CB . 11470 1 904 . 1 1 236 236 VAL N N 15 120.584 0.125 . 1 . . . . . 232 VAL N . 11470 1 905 . 1 1 237 237 VAL H H 1 8.701 0.006 . 1 . . . . . 233 VAL H . 11470 1 906 . 1 1 237 237 VAL C C 13 175.316 0.167 . 1 . . . . . 233 VAL C . 11470 1 907 . 1 1 237 237 VAL CA C 13 56.93 0.184 . 1 . . . . . 233 VAL CA . 11470 1 908 . 1 1 237 237 VAL CB C 13 33.913 0.567 . 1 . . . . . 233 VAL CB . 11470 1 909 . 1 1 237 237 VAL N N 15 119.333 0.125 . 1 . . . . . 233 VAL N . 11470 1 910 . 1 1 238 238 ASP H H 1 8.028 0.006 . 1 . . . . . 234 ASP H . 11470 1 911 . 1 1 238 238 ASP C C 13 178.639 0.167 . 1 . . . . . 234 ASP C . 11470 1 912 . 1 1 238 238 ASP CA C 13 51.37 0.184 . 1 . . . . . 234 ASP CA . 11470 1 913 . 1 1 238 238 ASP CB C 13 40.758 0.567 . 1 . . . . . 234 ASP CB . 11470 1 914 . 1 1 238 238 ASP N N 15 119.709 0.125 . 1 . . . . . 234 ASP N . 11470 1 915 . 1 1 239 239 GLU H H 1 8.892 0.006 . 1 . . . . . 235 GLU H . 11470 1 916 . 1 1 239 239 GLU C C 13 177.361 0.167 . 1 . . . . . 235 GLU C . 11470 1 917 . 1 1 239 239 GLU CA C 13 58.931 0.184 . 1 . . . . . 235 GLU CA . 11470 1 918 . 1 1 239 239 GLU CB C 13 27.975 0.567 . 1 . . . . . 235 GLU CB . 11470 1 919 . 1 1 239 239 GLU N N 15 117.021 0.125 . 1 . . . . . 235 GLU N . 11470 1 920 . 1 1 240 240 GLU H H 1 7.874 0.006 . 1 . . . . . 236 GLU H . 11470 1 921 . 1 1 240 240 GLU C C 13 176.339 0.167 . 1 . . . . . 236 GLU C . 11470 1 922 . 1 1 240 240 GLU CA C 13 55.271 0.184 . 1 . . . . . 236 GLU CA . 11470 1 923 . 1 1 240 240 GLU CB C 13 29.342 0.567 . 1 . . . . . 236 GLU CB . 11470 1 924 . 1 1 240 240 GLU N N 15 118.325 0.125 . 1 . . . . . 236 GLU N . 11470 1 925 . 1 1 241 241 GLY H H 1 8.015 0.006 . 1 . . . . . 237 GLY H . 11470 1 926 . 1 1 241 241 GLY C C 13 174.691 0.167 . 1 . . . . . 237 GLY C . 11470 1 927 . 1 1 241 241 GLY CA C 13 44.499 0.184 . 1 . . . . . 237 GLY CA . 11470 1 928 . 1 1 241 241 GLY N N 15 107.805 0.125 . 1 . . . . . 237 GLY N . 11470 1 929 . 1 1 242 242 ARG H H 1 8.536 0.006 . 1 . . . . . 238 ARG H . 11470 1 930 . 1 1 242 242 ARG C C 13 175.856 0.167 . 1 . . . . . 238 ARG C . 11470 1 931 . 1 1 242 242 ARG CA C 13 55.704 0.184 . 1 . . . . . 238 ARG CA . 11470 1 932 . 1 1 242 242 ARG CB C 13 28.888 0.567 . 1 . . . . . 238 ARG CB . 11470 1 933 . 1 1 242 242 ARG N N 15 122.146 0.125 . 1 . . . . . 238 ARG N . 11470 1 934 . 1 1 243 243 LEU H H 1 7.417 0.006 . 1 . . . . . 239 LEU H . 11470 1 935 . 1 1 243 243 LEU C C 13 176.623 0.167 . 1 . . . . . 239 LEU C . 11470 1 936 . 1 1 243 243 LEU CA C 13 55.301 0.184 . 1 . . . . . 239 LEU CA . 11470 1 937 . 1 1 243 243 LEU CB C 13 41.912 0.567 . 1 . . . . . 239 LEU CB . 11470 1 938 . 1 1 243 243 LEU N N 15 122.521 0.125 . 1 . . . . . 239 LEU N . 11470 1 939 . 1 1 244 244 VAL H H 1 8.912 0.006 . 1 . . . . . 240 VAL H . 11470 1 940 . 1 1 244 244 VAL C C 13 175.713 0.167 . 1 . . . . . 240 VAL C . 11470 1 941 . 1 1 244 244 VAL CA C 13 60.74 0.184 . 1 . . . . . 240 VAL CA . 11470 1 942 . 1 1 244 244 VAL CB C 13 33.006 0.567 . 1 . . . . . 240 VAL CB . 11470 1 943 . 1 1 244 244 VAL N N 15 121.64 0.125 . 1 . . . . . 240 VAL N . 11470 1 944 . 1 1 245 245 GLY H H 1 7.265 0.006 . 1 . . . . . 241 GLY H . 11470 1 945 . 1 1 245 245 GLY C C 13 169.948 0.167 . 1 . . . . . 241 GLY C . 11470 1 946 . 1 1 245 245 GLY CA C 13 44.994 0.184 . 1 . . . . . 241 GLY CA . 11470 1 947 . 1 1 245 245 GLY N N 15 108.771 0.125 . 1 . . . . . 241 GLY N . 11470 1 948 . 1 1 246 246 ILE H H 1 8.085 0.006 . 1 . . . . . 242 ILE H . 11470 1 949 . 1 1 246 246 ILE C C 13 175.118 0.167 . 1 . . . . . 242 ILE C . 11470 1 950 . 1 1 246 246 ILE CA C 13 58.658 0.184 . 1 . . . . . 242 ILE CA . 11470 1 951 . 1 1 246 246 ILE CB C 13 42.207 0.567 . 1 . . . . . 242 ILE CB . 11470 1 952 . 1 1 246 246 ILE N N 15 112.578 0.125 . 1 . . . . . 242 ILE N . 11470 1 953 . 1 1 247 247 VAL H H 1 8.936 0.006 . 1 . . . . . 243 VAL H . 11470 1 954 . 1 1 247 247 VAL C C 13 173.328 0.167 . 1 . . . . . 243 VAL C . 11470 1 955 . 1 1 247 247 VAL CA C 13 59.646 0.184 . 1 . . . . . 243 VAL CA . 11470 1 956 . 1 1 247 247 VAL CB C 13 33.913 0.567 . 1 . . . . . 243 VAL CB . 11470 1 957 . 1 1 247 247 VAL N N 15 121.34 0.125 . 1 . . . . . 243 VAL N . 11470 1 958 . 1 1 248 248 THR H H 1 8.511 0.006 . 1 . . . . . 244 THR H . 11470 1 959 . 1 1 248 248 THR C C 13 176.197 0.167 . 1 . . . . . 244 THR C . 11470 1 960 . 1 1 248 248 THR CA C 13 59.448 0.184 . 1 . . . . . 244 THR CA . 11470 1 961 . 1 1 248 248 THR CB C 13 72.013 0.567 . 1 . . . . . 244 THR CB . 11470 1 962 . 1 1 248 248 THR N N 15 116.021 0.125 . 1 . . . . . 244 THR N . 11470 1 963 . 1 1 254 254 ASP H H 1 8.086 0.006 . 1 . . . . . 250 ASP H . 11470 1 964 . 1 1 254 254 ASP C C 13 176.503 0.167 . 1 . . . . . 250 ASP C . 11470 1 965 . 1 1 254 254 ASP CA C 13 54.515 0.184 . 1 . . . . . 250 ASP CA . 11470 1 966 . 1 1 254 254 ASP CB C 13 40.015 0.567 . 1 . . . . . 250 ASP CB . 11470 1 967 . 1 1 254 254 ASP N N 15 120.058 0.125 . 1 . . . . . 250 ASP N . 11470 1 968 . 1 1 255 255 VAL H H 1 7.714 0.006 . 1 . . . . . 251 VAL H . 11470 1 969 . 1 1 255 255 VAL C C 13 176.39 0.167 . 1 . . . . . 251 VAL C . 11470 1 970 . 1 1 255 255 VAL CA C 13 62.395 0.184 . 1 . . . . . 251 VAL CA . 11470 1 971 . 1 1 255 255 VAL CB C 13 31.604 0.567 . 1 . . . . . 251 VAL CB . 11470 1 972 . 1 1 255 255 VAL N N 15 119.26 0.125 . 1 . . . . . 251 VAL N . 11470 1 973 . 1 1 256 256 LEU H H 1 7.987 0.006 . 1 . . . . . 252 LEU H . 11470 1 974 . 1 1 256 256 LEU C C 13 177.561 0.167 . 1 . . . . . 252 LEU C . 11470 1 975 . 1 1 256 256 LEU CA C 13 55.103 0.184 . 1 . . . . . 252 LEU CA . 11470 1 976 . 1 1 256 256 LEU CB C 13 41.252 0.567 . 1 . . . . . 252 LEU CB . 11470 1 977 . 1 1 256 256 LEU N N 15 124.519 0.125 . 1 . . . . . 252 LEU N . 11470 1 978 . 1 1 257 257 GLU H H 1 8.133 0.006 . 1 . . . . . 253 GLU H . 11470 1 979 . 1 1 257 257 GLU C C 13 176.164 0.167 . 1 . . . . . 253 GLU C . 11470 1 980 . 1 1 257 257 GLU CA C 13 56.075 0.184 . 1 . . . . . 253 GLU CA . 11470 1 981 . 1 1 257 257 GLU CB C 13 29.177 0.567 . 1 . . . . . 253 GLU CB . 11470 1 982 . 1 1 257 257 GLU N N 15 121.688 0.125 . 1 . . . . . 253 GLU N . 11470 1 983 . 1 1 258 258 ALA H H 1 7.977 0.006 . 1 . . . . . 254 ALA H . 11470 1 984 . 1 1 258 258 ALA C C 13 177.674 0.167 . 1 . . . . . 254 ALA C . 11470 1 985 . 1 1 258 258 ALA CA C 13 52.159 0.184 . 1 . . . . . 254 ALA CA . 11470 1 986 . 1 1 258 258 ALA CB C 13 18.656 0.567 . 1 . . . . . 254 ALA CB . 11470 1 987 . 1 1 258 258 ALA N N 15 125.272 0.125 . 1 . . . . . 254 ALA N . 11470 1 988 . 1 1 259 259 GLU H H 1 8.136 0.006 . 1 . . . . . 255 GLU H . 11470 1 989 . 1 1 259 259 GLU C C 13 176.112 0.167 . 1 . . . . . 255 GLU C . 11470 1 990 . 1 1 259 259 GLU CA C 13 55.977 0.184 . 1 . . . . . 255 GLU CA . 11470 1 991 . 1 1 259 259 GLU CB C 13 29.377 0.567 . 1 . . . . . 255 GLU CB . 11470 1 992 . 1 1 259 259 GLU N N 15 120.396 0.125 . 1 . . . . . 255 GLU N . 11470 1 993 . 1 1 260 260 ALA H H 1 8.151 0.006 . 1 . . . . . 256 ALA H . 11470 1 994 . 1 1 260 260 ALA C C 13 177.674 0.167 . 1 . . . . . 256 ALA C . 11470 1 995 . 1 1 260 260 ALA CA C 13 52.004 0.184 . 1 . . . . . 256 ALA CA . 11470 1 996 . 1 1 260 260 ALA CB C 13 18.573 0.567 . 1 . . . . . 256 ALA CB . 11470 1 997 . 1 1 260 260 ALA N N 15 125.793 0.125 . 1 . . . . . 256 ALA N . 11470 1 998 . 1 1 261 261 THR H H 1 8.015 0.006 . 1 . . . . . 257 THR H . 11470 1 999 . 1 1 261 261 THR C C 13 174.351 0.167 . 1 . . . . . 257 THR C . 11470 1 1000 . 1 1 261 261 THR CA C 13 61.21 0.184 . 1 . . . . . 257 THR CA . 11470 1 1001 . 1 1 261 261 THR CB C 13 69.539 0.567 . 1 . . . . . 257 THR CB . 11470 1 1002 . 1 1 261 261 THR N N 15 114.145 0.125 . 1 . . . . . 257 THR N . 11470 1 1003 . 1 1 262 262 GLU H H 1 8.256 0.006 . 1 . . . . . 258 GLU H . 11470 1 1004 . 1 1 262 262 GLU C C 13 175.174 0.167 . 1 . . . . . 258 GLU C . 11470 1 1005 . 1 1 262 262 GLU CA C 13 55.953 0.184 . 1 . . . . . 258 GLU CA . 11470 1 1006 . 1 1 262 262 GLU CB C 13 29.872 0.567 . 1 . . . . . 258 GLU CB . 11470 1 1007 . 1 1 262 262 GLU N N 15 123.584 0.125 . 1 . . . . . 258 GLU N . 11470 1 1008 . 1 1 263 263 ASP H H 1 7.875 0.006 . 1 . . . . . 259 ASP H . 11470 1 1009 . 1 1 263 263 ASP C C 13 180.599 0.167 . 1 . . . . . 259 ASP C . 11470 1 1010 . 1 1 263 263 ASP CA C 13 55.498 0.184 . 1 . . . . . 259 ASP CA . 11470 1 1011 . 1 1 263 263 ASP CB C 13 41.218 0.567 . 1 . . . . . 259 ASP CB . 11470 1 1012 . 1 1 263 263 ASP N N 15 127.147 0.125 . 1 . . . . . 259 ASP N . 11470 1 stop_ save_