data_27613 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27613 _Entry.Title ; 1H, 15N and 13C backbone assignment of apoTDP-43 RNA Recognition Motifs ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-14 _Entry.Accession_date 2018-09-14 _Entry.Last_release_date 2018-09-20 _Entry.Original_release_date 2018-09-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 David Scott . D. . . 27613 2 Vlad Kumirov . K. . . 27613 3 Liberty Francois-Moutal . . . . 27613 4 May Khanna . . . . 27613 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Arizona' . 27613 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27613 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 435 27613 '15N chemical shifts' 142 27613 '1H chemical shifts' 142 27613 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 4 . . 2022-04-04 2018-09-14 update BMRB 'update Polymer_type' 27613 3 . . 2019-04-10 2018-09-14 update BMRB 'update entry citation' 27613 2 . . 2018-11-28 2018-09-14 update author 'update assignment' 27613 1 . . 2018-09-25 2018-09-14 original author 'original release' 27613 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27613 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 30694439 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone assignment of apo TDP-43 RNA recognition motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 163 _Citation.Page_last 167 _Citation.Year 2019 _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 David Scott . D. . . 27613 1 2 Liberty Francois-Moutal . . . . 27613 1 3 Vlad Kumirov . K. . . 27613 1 4 May Khanna . . . . 27613 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27613 _Assembly.ID 1 _Assembly.Name TDP43 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RRM, chain 1' 1 $TDP43 A . yes native no no . . . 27613 1 2 'RRM, chain 2' 1 $TDP43 B . yes native no no . . . 27613 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TDP43 _Entity.Sf_category entity _Entity.Sf_framecode TDP43 _Entity.Entry_ID 27613 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TDP43 _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 ; MGSSHHHHHHSSGLVPRGSH MASMTGGQQMGRGSKTSDLI VLGLPWKTTEQDLKEYFSTF GEVLMVQVKKDLKTGHSKGF GFVRFTEYETQVKVMSQRHM IDGRWCDCKLPNSKQSQDEP LRSRKVFVGRCTEDMTEDEL REFFSQYGDVMDVFIPKPFR AFAFVTFADDQIAQSLCGED LIIKGISVHISNAEPKHNSN RQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 68 MET . 27613 1 2 69 GLY . 27613 1 3 70 SER . 27613 1 4 71 SER . 27613 1 5 72 HIS . 27613 1 6 73 HIS . 27613 1 7 74 HIS . 27613 1 8 75 HIS . 27613 1 9 76 HIS . 27613 1 10 77 HIS . 27613 1 11 78 SER . 27613 1 12 79 SER . 27613 1 13 80 GLY . 27613 1 14 81 LEU . 27613 1 15 82 VAL . 27613 1 16 83 PRO . 27613 1 17 84 ARG . 27613 1 18 85 GLY . 27613 1 19 86 SER . 27613 1 20 87 HIS . 27613 1 21 88 MET . 27613 1 22 89 ALA . 27613 1 23 90 SER . 27613 1 24 91 MET . 27613 1 25 92 THR . 27613 1 26 93 GLY . 27613 1 27 94 GLY . 27613 1 28 95 GLN . 27613 1 29 96 GLN . 27613 1 30 97 MET . 27613 1 31 98 GLY . 27613 1 32 99 ARG . 27613 1 33 100 GLY . 27613 1 34 101 SER . 27613 1 35 102 LYS . 27613 1 36 103 THR . 27613 1 37 104 SER . 27613 1 38 105 ASP . 27613 1 39 106 LEU . 27613 1 40 107 ILE . 27613 1 41 108 VAL . 27613 1 42 109 LEU . 27613 1 43 110 GLY . 27613 1 44 111 LEU . 27613 1 45 112 PRO . 27613 1 46 113 TRP . 27613 1 47 114 LYS . 27613 1 48 115 THR . 27613 1 49 116 THR . 27613 1 50 117 GLU . 27613 1 51 118 GLN . 27613 1 52 119 ASP . 27613 1 53 120 LEU . 27613 1 54 121 LYS . 27613 1 55 122 GLU . 27613 1 56 123 TYR . 27613 1 57 124 PHE . 27613 1 58 125 SER . 27613 1 59 126 THR . 27613 1 60 127 PHE . 27613 1 61 128 GLY . 27613 1 62 129 GLU . 27613 1 63 130 VAL . 27613 1 64 131 LEU . 27613 1 65 132 MET . 27613 1 66 133 VAL . 27613 1 67 134 GLN . 27613 1 68 135 VAL . 27613 1 69 136 LYS . 27613 1 70 137 LYS . 27613 1 71 138 ASP . 27613 1 72 139 LEU . 27613 1 73 140 LYS . 27613 1 74 141 THR . 27613 1 75 142 GLY . 27613 1 76 143 HIS . 27613 1 77 144 SER . 27613 1 78 145 LYS . 27613 1 79 146 GLY . 27613 1 80 147 PHE . 27613 1 81 148 GLY . 27613 1 82 149 PHE . 27613 1 83 150 VAL . 27613 1 84 151 ARG . 27613 1 85 152 PHE . 27613 1 86 153 THR . 27613 1 87 154 GLU . 27613 1 88 155 TYR . 27613 1 89 156 GLU . 27613 1 90 157 THR . 27613 1 91 158 GLN . 27613 1 92 159 VAL . 27613 1 93 160 LYS . 27613 1 94 161 VAL . 27613 1 95 162 MET . 27613 1 96 163 SER . 27613 1 97 164 GLN . 27613 1 98 165 ARG . 27613 1 99 166 HIS . 27613 1 100 167 MET . 27613 1 101 168 ILE . 27613 1 102 169 ASP . 27613 1 103 170 GLY . 27613 1 104 171 ARG . 27613 1 105 172 TRP . 27613 1 106 173 CYS . 27613 1 107 174 ASP . 27613 1 108 175 CYS . 27613 1 109 176 LYS . 27613 1 110 177 LEU . 27613 1 111 178 PRO . 27613 1 112 179 ASN . 27613 1 113 180 SER . 27613 1 114 181 LYS . 27613 1 115 182 GLN . 27613 1 116 183 SER . 27613 1 117 184 GLN . 27613 1 118 185 ASP . 27613 1 119 186 GLU . 27613 1 120 187 PRO . 27613 1 121 188 LEU . 27613 1 122 189 ARG . 27613 1 123 190 SER . 27613 1 124 191 ARG . 27613 1 125 192 LYS . 27613 1 126 193 VAL . 27613 1 127 194 PHE . 27613 1 128 195 VAL . 27613 1 129 196 GLY . 27613 1 130 197 ARG . 27613 1 131 198 CYS . 27613 1 132 199 THR . 27613 1 133 200 GLU . 27613 1 134 201 ASP . 27613 1 135 202 MET . 27613 1 136 203 THR . 27613 1 137 204 GLU . 27613 1 138 205 ASP . 27613 1 139 206 GLU . 27613 1 140 207 LEU . 27613 1 141 208 ARG . 27613 1 142 209 GLU . 27613 1 143 210 PHE . 27613 1 144 211 PHE . 27613 1 145 212 SER . 27613 1 146 213 GLN . 27613 1 147 214 TYR . 27613 1 148 215 GLY . 27613 1 149 216 ASP . 27613 1 150 217 VAL . 27613 1 151 218 MET . 27613 1 152 219 ASP . 27613 1 153 220 VAL . 27613 1 154 221 PHE . 27613 1 155 222 ILE . 27613 1 156 223 PRO . 27613 1 157 224 LYS . 27613 1 158 225 PRO . 27613 1 159 226 PHE . 27613 1 160 227 ARG . 27613 1 161 228 ALA . 27613 1 162 229 PHE . 27613 1 163 230 ALA . 27613 1 164 231 PHE . 27613 1 165 232 VAL . 27613 1 166 233 THR . 27613 1 167 234 PHE . 27613 1 168 235 ALA . 27613 1 169 236 ASP . 27613 1 170 237 ASP . 27613 1 171 238 GLN . 27613 1 172 239 ILE . 27613 1 173 240 ALA . 27613 1 174 241 GLN . 27613 1 175 242 SER . 27613 1 176 243 LEU . 27613 1 177 244 CYS . 27613 1 178 245 GLY . 27613 1 179 246 GLU . 27613 1 180 247 ASP . 27613 1 181 248 LEU . 27613 1 182 249 ILE . 27613 1 183 250 ILE . 27613 1 184 251 LYS . 27613 1 185 252 GLY . 27613 1 186 253 ILE . 27613 1 187 254 SER . 27613 1 188 255 VAL . 27613 1 189 256 HIS . 27613 1 190 257 ILE . 27613 1 191 258 SER . 27613 1 192 259 ASN . 27613 1 193 260 ALA . 27613 1 194 261 GLU . 27613 1 195 262 PRO . 27613 1 196 263 LYS . 27613 1 197 264 HIS . 27613 1 198 265 ASN . 27613 1 199 266 SER . 27613 1 200 267 ASN . 27613 1 201 268 ARG . 27613 1 202 269 GLN . 27613 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27613 1 . GLY 2 2 27613 1 . SER 3 3 27613 1 . SER 4 4 27613 1 . HIS 5 5 27613 1 . HIS 6 6 27613 1 . HIS 7 7 27613 1 . HIS 8 8 27613 1 . HIS 9 9 27613 1 . HIS 10 10 27613 1 . SER 11 11 27613 1 . SER 12 12 27613 1 . GLY 13 13 27613 1 . LEU 14 14 27613 1 . VAL 15 15 27613 1 . PRO 16 16 27613 1 . ARG 17 17 27613 1 . GLY 18 18 27613 1 . SER 19 19 27613 1 . HIS 20 20 27613 1 . MET 21 21 27613 1 . ALA 22 22 27613 1 . SER 23 23 27613 1 . MET 24 24 27613 1 . THR 25 25 27613 1 . GLY 26 26 27613 1 . GLY 27 27 27613 1 . GLN 28 28 27613 1 . GLN 29 29 27613 1 . MET 30 30 27613 1 . GLY 31 31 27613 1 . ARG 32 32 27613 1 . GLY 33 33 27613 1 . SER 34 34 27613 1 . LYS 35 35 27613 1 . THR 36 36 27613 1 . SER 37 37 27613 1 . ASP 38 38 27613 1 . LEU 39 39 27613 1 . ILE 40 40 27613 1 . VAL 41 41 27613 1 . LEU 42 42 27613 1 . GLY 43 43 27613 1 . LEU 44 44 27613 1 . PRO 45 45 27613 1 . TRP 46 46 27613 1 . LYS 47 47 27613 1 . THR 48 48 27613 1 . THR 49 49 27613 1 . GLU 50 50 27613 1 . GLN 51 51 27613 1 . ASP 52 52 27613 1 . LEU 53 53 27613 1 . LYS 54 54 27613 1 . GLU 55 55 27613 1 . TYR 56 56 27613 1 . PHE 57 57 27613 1 . SER 58 58 27613 1 . THR 59 59 27613 1 . PHE 60 60 27613 1 . GLY 61 61 27613 1 . GLU 62 62 27613 1 . VAL 63 63 27613 1 . LEU 64 64 27613 1 . MET 65 65 27613 1 . VAL 66 66 27613 1 . GLN 67 67 27613 1 . VAL 68 68 27613 1 . LYS 69 69 27613 1 . LYS 70 70 27613 1 . ASP 71 71 27613 1 . LEU 72 72 27613 1 . LYS 73 73 27613 1 . THR 74 74 27613 1 . GLY 75 75 27613 1 . HIS 76 76 27613 1 . SER 77 77 27613 1 . LYS 78 78 27613 1 . GLY 79 79 27613 1 . PHE 80 80 27613 1 . GLY 81 81 27613 1 . PHE 82 82 27613 1 . VAL 83 83 27613 1 . ARG 84 84 27613 1 . PHE 85 85 27613 1 . THR 86 86 27613 1 . GLU 87 87 27613 1 . TYR 88 88 27613 1 . GLU 89 89 27613 1 . THR 90 90 27613 1 . GLN 91 91 27613 1 . VAL 92 92 27613 1 . LYS 93 93 27613 1 . VAL 94 94 27613 1 . MET 95 95 27613 1 . SER 96 96 27613 1 . GLN 97 97 27613 1 . ARG 98 98 27613 1 . HIS 99 99 27613 1 . MET 100 100 27613 1 . ILE 101 101 27613 1 . ASP 102 102 27613 1 . GLY 103 103 27613 1 . ARG 104 104 27613 1 . TRP 105 105 27613 1 . CYS 106 106 27613 1 . ASP 107 107 27613 1 . CYS 108 108 27613 1 . LYS 109 109 27613 1 . LEU 110 110 27613 1 . PRO 111 111 27613 1 . ASN 112 112 27613 1 . SER 113 113 27613 1 . LYS 114 114 27613 1 . GLN 115 115 27613 1 . SER 116 116 27613 1 . GLN 117 117 27613 1 . ASP 118 118 27613 1 . GLU 119 119 27613 1 . PRO 120 120 27613 1 . LEU 121 121 27613 1 . ARG 122 122 27613 1 . SER 123 123 27613 1 . ARG 124 124 27613 1 . LYS 125 125 27613 1 . VAL 126 126 27613 1 . PHE 127 127 27613 1 . VAL 128 128 27613 1 . GLY 129 129 27613 1 . ARG 130 130 27613 1 . CYS 131 131 27613 1 . THR 132 132 27613 1 . GLU 133 133 27613 1 . ASP 134 134 27613 1 . MET 135 135 27613 1 . THR 136 136 27613 1 . GLU 137 137 27613 1 . ASP 138 138 27613 1 . GLU 139 139 27613 1 . LEU 140 140 27613 1 . ARG 141 141 27613 1 . GLU 142 142 27613 1 . PHE 143 143 27613 1 . PHE 144 144 27613 1 . SER 145 145 27613 1 . GLN 146 146 27613 1 . TYR 147 147 27613 1 . GLY 148 148 27613 1 . ASP 149 149 27613 1 . VAL 150 150 27613 1 . MET 151 151 27613 1 . ASP 152 152 27613 1 . VAL 153 153 27613 1 . PHE 154 154 27613 1 . ILE 155 155 27613 1 . PRO 156 156 27613 1 . LYS 157 157 27613 1 . PRO 158 158 27613 1 . PHE 159 159 27613 1 . ARG 160 160 27613 1 . ALA 161 161 27613 1 . PHE 162 162 27613 1 . ALA 163 163 27613 1 . PHE 164 164 27613 1 . VAL 165 165 27613 1 . THR 166 166 27613 1 . PHE 167 167 27613 1 . ALA 168 168 27613 1 . ASP 169 169 27613 1 . ASP 170 170 27613 1 . GLN 171 171 27613 1 . ILE 172 172 27613 1 . ALA 173 173 27613 1 . GLN 174 174 27613 1 . SER 175 175 27613 1 . LEU 176 176 27613 1 . CYS 177 177 27613 1 . GLY 178 178 27613 1 . GLU 179 179 27613 1 . ASP 180 180 27613 1 . LEU 181 181 27613 1 . ILE 182 182 27613 1 . ILE 183 183 27613 1 . LYS 184 184 27613 1 . GLY 185 185 27613 1 . ILE 186 186 27613 1 . SER 187 187 27613 1 . VAL 188 188 27613 1 . HIS 189 189 27613 1 . ILE 190 190 27613 1 . SER 191 191 27613 1 . ASN 192 192 27613 1 . ALA 193 193 27613 1 . GLU 194 194 27613 1 . PRO 195 195 27613 1 . LYS 196 196 27613 1 . HIS 197 197 27613 1 . ASN 198 198 27613 1 . SER 199 199 27613 1 . ASN 200 200 27613 1 . ARG 201 201 27613 1 . GLN 202 202 27613 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 27613 _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 $TDP43 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27613 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 27613 _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 $TDP43 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 27613 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27613 _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 TDP43 '[U-100% 13C; U-100% 15N]' . . 1 $TDP43 . . 450 . . uM . . . . 27613 1 2 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 27613 1 3 'sodium azide' 'natural abundance' . . . . . . 0.5 . . % . . . . 27613 1 4 HEPES 'natural abundance' . . . . . . 40 . . mM . . . . 27613 1 5 'sodium chloride' 'natural abundance' . . . . . . 500 . . mM . . . . 27613 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27613 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27613 _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' 0.5 . M 27613 1 pH 6.5 . pH 27613 1 pressure 1 . atm 27613 1 temperature 298 . K 27613 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27613 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.134 _Software.DOI . _Software.Details NMRFAM-SPARKY loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27613 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27613 1 'data analysis' . 27613 1 'peak picking' . 27613 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27613 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27613 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27613 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27613 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27613 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27613 3 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 27613 _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 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 27613 _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 . 600 . . . 27613 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 27613 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27613 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27613 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27613 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27613 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27613 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27613 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 27613 _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 glucose 'methyl carbons' . . . . ppm 0 internal direct 1.0 . . . . . 27613 1 H 1 water protons . . . . ppm 0 internal direct 1.0 . . . . . 27613 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 internal direct 1.0 . . . . . 27613 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 27613 _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 HSQC' . . . 27613 1 2 '3D CBCA(CO)NH' . . . 27613 1 3 '3D HNCA' . . . 27613 1 4 '3D HNCACB' . . . 27613 1 5 '3D HN(CO)CA' . . . 27613 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 35 35 LYS C C 13 177.065 0.02 . . . . . . . 102 LYS C . 27613 1 2 . 1 . 1 35 35 LYS CA C 13 56.703 0.17 . . . . . . . 102 LYS CA . 27613 1 3 . 1 . 1 35 35 LYS CB C 13 34.292 0.15 . . . . . . . 102 LYS CB . 27613 1 4 . 1 . 1 36 36 THR H H 1 8.061 0.02 . . . . . . . 103 THR H . 27613 1 5 . 1 . 1 36 36 THR C C 13 174.340 0.00 . . . . . . . 103 THR C . 27613 1 6 . 1 . 1 36 36 THR CA C 13 61.011 0.05 . . . . . . . 103 THR CA . 27613 1 7 . 1 . 1 36 36 THR CB C 13 72.165 0.12 . . . . . . . 103 THR CB . 27613 1 8 . 1 . 1 36 36 THR N N 15 111.933 0.10 . . . . . . . 103 THR N . 27613 1 9 . 1 . 1 37 37 SER H H 1 8.516 0.01 . . . . . . . 104 SER H . 27613 1 10 . 1 . 1 37 37 SER C C 13 172.329 0.02 . . . . . . . 104 SER C . 27613 1 11 . 1 . 1 37 37 SER CA C 13 57.960 0.08 . . . . . . . 104 SER CA . 27613 1 12 . 1 . 1 37 37 SER CB C 13 67.278 0.06 . . . . . . . 104 SER CB . 27613 1 13 . 1 . 1 37 37 SER N N 15 114.897 0.09 . . . . . . . 104 SER N . 27613 1 14 . 1 . 1 38 38 ASP H H 1 8.356 0.01 . . . . . . . 105 ASP H . 27613 1 15 . 1 . 1 38 38 ASP C C 13 176.416 0.78 . . . . . . . 105 ASP C . 27613 1 16 . 1 . 1 38 38 ASP CA C 13 56.313 0.08 . . . . . . . 105 ASP CA . 27613 1 17 . 1 . 1 38 38 ASP CB C 13 41.160 0.06 . . . . . . . 105 ASP CB . 27613 1 18 . 1 . 1 38 38 ASP N N 15 123.723 0.05 . . . . . . . 105 ASP N . 27613 1 19 . 1 . 1 39 39 LEU H H 1 9.053 0.01 . . . . . . . 106 LEU H . 27613 1 20 . 1 . 1 39 39 LEU C C 13 176.223 0.68 . . . . . . . 106 LEU C . 27613 1 21 . 1 . 1 39 39 LEU CA C 13 53.946 0.12 . . . . . . . 106 LEU CA . 27613 1 22 . 1 . 1 39 39 LEU CB C 13 43.628 0.17 . . . . . . . 106 LEU CB . 27613 1 23 . 1 . 1 39 39 LEU N N 15 122.326 0.12 . . . . . . . 106 LEU N . 27613 1 24 . 1 . 1 40 40 ILE H H 1 9.070 0.01 . . . . . . . 107 ILE H . 27613 1 25 . 1 . 1 40 40 ILE C C 13 174.430 0.99 . . . . . . . 107 ILE C . 27613 1 26 . 1 . 1 40 40 ILE CA C 13 60.264 0.11 . . . . . . . 107 ILE CA . 27613 1 27 . 1 . 1 40 40 ILE CB C 13 41.947 0.13 . . . . . . . 107 ILE CB . 27613 1 28 . 1 . 1 40 40 ILE N N 15 121.915 0.11 . . . . . . . 107 ILE N . 27613 1 29 . 1 . 1 41 41 VAL H H 1 8.630 0.01 . . . . . . . 108 VAL H . 27613 1 30 . 1 . 1 41 41 VAL C C 13 175.068 0.01 . . . . . . . 108 VAL C . 27613 1 31 . 1 . 1 41 41 VAL CA C 13 61.220 0.04 . . . . . . . 108 VAL CA . 27613 1 32 . 1 . 1 41 41 VAL CB C 13 33.488 0.18 . . . . . . . 108 VAL CB . 27613 1 33 . 1 . 1 41 41 VAL N N 15 127.899 0.07 . . . . . . . 108 VAL N . 27613 1 34 . 1 . 1 42 42 LEU H H 1 8.867 0.01 . . . . . . . 109 LEU H . 27613 1 35 . 1 . 1 42 42 LEU C C 13 177.459 0.06 . . . . . . . 109 LEU C . 27613 1 36 . 1 . 1 42 42 LEU CA C 13 54.952 0.13 . . . . . . . 109 LEU CA . 27613 1 37 . 1 . 1 42 42 LEU CB C 13 45.669 0.13 . . . . . . . 109 LEU CB . 27613 1 38 . 1 . 1 42 42 LEU N N 15 126.286 0.07 . . . . . . . 109 LEU N . 27613 1 39 . 1 . 1 43 43 GLY H H 1 8.472 0.02 . . . . . . . 110 GLY H . 27613 1 40 . 1 . 1 43 43 GLY C C 13 175.674 1.14 . . . . . . . 110 GLY C . 27613 1 41 . 1 . 1 43 43 GLY CA C 13 46.605 0.06 . . . . . . . 110 GLY CA . 27613 1 42 . 1 . 1 43 43 GLY N N 15 108.002 0.11 . . . . . . . 110 GLY N . 27613 1 43 . 1 . 1 44 44 LEU H H 1 7.313 0.01 . . . . . . . 111 LEU H . 27613 1 44 . 1 . 1 44 44 LEU CA C 13 53.766 0.07 . . . . . . . 111 LEU CA . 27613 1 45 . 1 . 1 44 44 LEU CB C 13 42.781 0.00 . . . . . . . 111 LEU CB . 27613 1 46 . 1 . 1 44 44 LEU N N 15 118.190 0.06 . . . . . . . 111 LEU N . 27613 1 47 . 1 . 1 46 46 TRP C C 13 177.233 0.00 . . . . . . . 113 TRP C . 27613 1 48 . 1 . 1 46 46 TRP CA C 13 59.925 0.07 . . . . . . . 113 TRP CA . 27613 1 49 . 1 . 1 46 46 TRP CB C 13 29.848 0.02 . . . . . . . 113 TRP CB . 27613 1 50 . 1 . 1 47 47 LYS H H 1 7.354 0.02 . . . . . . . 114 LYS H . 27613 1 51 . 1 . 1 47 47 LYS C C 13 176.629 0.04 . . . . . . . 114 LYS C . 27613 1 52 . 1 . 1 47 47 LYS CA C 13 57.507 0.12 . . . . . . . 114 LYS CA . 27613 1 53 . 1 . 1 47 47 LYS CB C 13 32.776 0.10 . . . . . . . 114 LYS CB . 27613 1 54 . 1 . 1 47 47 LYS N N 15 113.778 0.07 . . . . . . . 114 LYS N . 27613 1 55 . 1 . 1 48 48 THR H H 1 7.101 0.02 . . . . . . . 115 THR H . 27613 1 56 . 1 . 1 48 48 THR C C 13 175.596 0.16 . . . . . . . 115 THR C . 27613 1 57 . 1 . 1 48 48 THR CA C 13 66.243 0.07 . . . . . . . 115 THR CA . 27613 1 58 . 1 . 1 48 48 THR CB C 13 69.180 0.20 . . . . . . . 115 THR CB . 27613 1 59 . 1 . 1 48 48 THR N N 15 119.554 0.10 . . . . . . . 115 THR N . 27613 1 60 . 1 . 1 49 49 THR H H 1 9.129 0.01 . . . . . . . 116 THR H . 27613 1 61 . 1 . 1 49 49 THR C C 13 175.822 0.00 . . . . . . . 116 THR C . 27613 1 62 . 1 . 1 49 49 THR CA C 13 60.711 0.06 . . . . . . . 116 THR CA . 27613 1 63 . 1 . 1 49 49 THR CB C 13 73.991 0.08 . . . . . . . 116 THR CB . 27613 1 64 . 1 . 1 49 49 THR N N 15 119.828 0.06 . . . . . . . 116 THR N . 27613 1 65 . 1 . 1 50 50 GLU H H 1 9.248 0.02 . . . . . . . 117 GLU H . 27613 1 66 . 1 . 1 50 50 GLU C C 13 178.704 0.67 . . . . . . . 117 GLU C . 27613 1 67 . 1 . 1 50 50 GLU CA C 13 61.659 0.13 . . . . . . . 117 GLU CA . 27613 1 68 . 1 . 1 50 50 GLU CB C 13 29.519 0.00 . . . . . . . 117 GLU CB . 27613 1 69 . 1 . 1 50 50 GLU N N 15 120.463 0.07 . . . . . . . 117 GLU N . 27613 1 70 . 1 . 1 51 51 GLN H H 1 8.312 0.01 . . . . . . . 118 GLN H . 27613 1 71 . 1 . 1 51 51 GLN C C 13 178.300 0.05 . . . . . . . 118 GLN C . 27613 1 72 . 1 . 1 51 51 GLN CA C 13 60.048 0.07 . . . . . . . 118 GLN CA . 27613 1 73 . 1 . 1 51 51 GLN CB C 13 28.448 0.19 . . . . . . . 118 GLN CB . 27613 1 74 . 1 . 1 51 51 GLN N N 15 120.653 0.02 . . . . . . . 118 GLN N . 27613 1 75 . 1 . 1 52 52 ASP H H 1 7.506 0.02 . . . . . . . 119 ASP H . 27613 1 76 . 1 . 1 52 52 ASP C C 13 179.972 0.09 . . . . . . . 119 ASP C . 27613 1 77 . 1 . 1 52 52 ASP CA C 13 58.217 0.11 . . . . . . . 119 ASP CA . 27613 1 78 . 1 . 1 52 52 ASP CB C 13 41.984 0.11 . . . . . . . 119 ASP CB . 27613 1 79 . 1 . 1 52 52 ASP N N 15 120.000 0.06 . . . . . . . 119 ASP N . 27613 1 80 . 1 . 1 53 53 LEU H H 1 8.004 0.01 . . . . . . . 120 LEU H . 27613 1 81 . 1 . 1 53 53 LEU C C 13 178.642 0.12 . . . . . . . 120 LEU C . 27613 1 82 . 1 . 1 53 53 LEU CA C 13 59.126 0.43 . . . . . . . 120 LEU CA . 27613 1 83 . 1 . 1 53 53 LEU CB C 13 43.081 0.10 . . . . . . . 120 LEU CB . 27613 1 84 . 1 . 1 53 53 LEU N N 15 120.024 0.09 . . . . . . . 120 LEU N . 27613 1 85 . 1 . 1 54 54 LYS H H 1 8.904 0.00 . . . . . . . 121 LYS H . 27613 1 86 . 1 . 1 54 54 LYS C C 13 179.003 0.00 . . . . . . . 121 LYS C . 27613 1 87 . 1 . 1 54 54 LYS CA C 13 61.662 0.10 . . . . . . . 121 LYS CA . 27613 1 88 . 1 . 1 54 54 LYS CB C 13 31.081 0.11 . . . . . . . 121 LYS CB . 27613 1 89 . 1 . 1 54 54 LYS N N 15 121.818 0.03 . . . . . . . 121 LYS N . 27613 1 90 . 1 . 1 55 55 GLU H H 1 8.347 0.01 . . . . . . . 122 GLU H . 27613 1 91 . 1 . 1 55 55 GLU C C 13 178.839 0.01 . . . . . . . 122 GLU C . 27613 1 92 . 1 . 1 55 55 GLU CA C 13 60.393 0.08 . . . . . . . 122 GLU CA . 27613 1 93 . 1 . 1 55 55 GLU CB C 13 30.224 0.15 . . . . . . . 122 GLU CB . 27613 1 94 . 1 . 1 55 55 GLU N N 15 120.500 0.06 . . . . . . . 122 GLU N . 27613 1 95 . 1 . 1 56 56 TYR H H 1 7.884 0.02 . . . . . . . 123 TYR H . 27613 1 96 . 1 . 1 56 56 TYR C C 13 178.356 0.09 . . . . . . . 123 TYR C . 27613 1 97 . 1 . 1 56 56 TYR CA C 13 62.693 0.06 . . . . . . . 123 TYR CA . 27613 1 98 . 1 . 1 56 56 TYR CB C 13 39.169 0.17 . . . . . . . 123 TYR CB . 27613 1 99 . 1 . 1 56 56 TYR N N 15 118.651 0.07 . . . . . . . 123 TYR N . 27613 1 100 . 1 . 1 57 57 PHE H H 1 8.928 0.02 . . . . . . . 124 PHE H . 27613 1 101 . 1 . 1 57 57 PHE C C 13 176.972 1.41 . . . . . . . 124 PHE C . 27613 1 102 . 1 . 1 57 57 PHE CA C 13 63.568 0.18 . . . . . . . 124 PHE CA . 27613 1 103 . 1 . 1 57 57 PHE CB C 13 39.148 0.10 . . . . . . . 124 PHE CB . 27613 1 104 . 1 . 1 57 57 PHE N N 15 117.241 0.08 . . . . . . . 124 PHE N . 27613 1 105 . 1 . 1 58 58 SER H H 1 8.202 0.03 . . . . . . . 125 SER H . 27613 1 106 . 1 . 1 58 58 SER C C 13 176.296 1.13 . . . . . . . 125 SER C . 27613 1 107 . 1 . 1 58 58 SER CA C 13 62.289 0.07 . . . . . . . 125 SER CA . 27613 1 108 . 1 . 1 58 58 SER CB C 13 63.975 0.15 . . . . . . . 125 SER CB . 27613 1 109 . 1 . 1 58 58 SER N N 15 115.430 0.06 . . . . . . . 125 SER N . 27613 1 110 . 1 . 1 59 59 THR H H 1 7.298 0.01 . . . . . . . 126 THR H . 27613 1 111 . 1 . 1 59 59 THR C C 13 175.629 0.10 . . . . . . . 126 THR C . 27613 1 112 . 1 . 1 59 59 THR CA C 13 65.286 0.03 . . . . . . . 126 THR CA . 27613 1 113 . 1 . 1 59 59 THR CB C 13 69.696 0.10 . . . . . . . 126 THR CB . 27613 1 114 . 1 . 1 59 59 THR N N 15 112.960 0.06 . . . . . . . 126 THR N . 27613 1 115 . 1 . 1 60 60 PHE H H 1 7.773 0.01 . . . . . . . 127 PHE H . 27613 1 116 . 1 . 1 60 60 PHE C C 13 175.650 0.02 . . . . . . . 127 PHE C . 27613 1 117 . 1 . 1 60 60 PHE CA C 13 60.612 0.08 . . . . . . . 127 PHE CA . 27613 1 118 . 1 . 1 60 60 PHE CB C 13 40.437 0.17 . . . . . . . 127 PHE CB . 27613 1 119 . 1 . 1 60 60 PHE N N 15 119.111 0.10 . . . . . . . 127 PHE N . 27613 1 120 . 1 . 1 61 61 GLY H H 1 7.501 0.02 . . . . . . . 128 GLY H . 27613 1 121 . 1 . 1 61 61 GLY C C 13 170.334 0.03 . . . . . . . 128 GLY C . 27613 1 122 . 1 . 1 61 61 GLY CA C 13 45.497 0.07 . . . . . . . 128 GLY CA . 27613 1 123 . 1 . 1 61 61 GLY N N 15 106.123 0.06 . . . . . . . 128 GLY N . 27613 1 124 . 1 . 1 62 62 GLU H H 1 8.207 0.03 . . . . . . . 129 GLU H . 27613 1 125 . 1 . 1 62 62 GLU C C 13 177.003 0.00 . . . . . . . 129 GLU C . 27613 1 126 . 1 . 1 62 62 GLU CA C 13 58.898 0.07 . . . . . . . 129 GLU CA . 27613 1 127 . 1 . 1 62 62 GLU CB C 13 30.938 0.14 . . . . . . . 129 GLU CB . 27613 1 128 . 1 . 1 62 62 GLU N N 15 117.942 0.06 . . . . . . . 129 GLU N . 27613 1 129 . 1 . 1 63 63 VAL H H 1 8.872 0.00 . . . . . . . 130 VAL H . 27613 1 130 . 1 . 1 63 63 VAL C C 13 176.948 0.00 . . . . . . . 130 VAL C . 27613 1 131 . 1 . 1 63 63 VAL CA C 13 62.578 0.10 . . . . . . . 130 VAL CA . 27613 1 132 . 1 . 1 63 63 VAL CB C 13 34.673 0.16 . . . . . . . 130 VAL CB . 27613 1 133 . 1 . 1 63 63 VAL N N 15 128.267 0.07 . . . . . . . 130 VAL N . 27613 1 134 . 1 . 1 64 64 LEU H H 1 8.880 0.01 . . . . . . . 131 LEU H . 27613 1 135 . 1 . 1 64 64 LEU C C 13 176.756 0.20 . . . . . . . 131 LEU C . 27613 1 136 . 1 . 1 64 64 LEU CA C 13 56.543 0.13 . . . . . . . 131 LEU CA . 27613 1 137 . 1 . 1 64 64 LEU CB C 13 44.862 0.14 . . . . . . . 131 LEU CB . 27613 1 138 . 1 . 1 64 64 LEU N N 15 128.336 0.07 . . . . . . . 131 LEU N . 27613 1 139 . 1 . 1 65 65 MET H H 1 7.366 0.02 . . . . . . . 132 MET H . 27613 1 140 . 1 . 1 65 65 MET C C 13 173.267 0.11 . . . . . . . 132 MET C . 27613 1 141 . 1 . 1 65 65 MET CA C 13 55.725 0.08 . . . . . . . 132 MET CA . 27613 1 142 . 1 . 1 65 65 MET CB C 13 35.719 0.48 . . . . . . . 132 MET CB . 27613 1 143 . 1 . 1 65 65 MET N N 15 118.300 0.05 . . . . . . . 132 MET N . 27613 1 144 . 1 . 1 66 66 VAL H H 1 8.106 0.01 . . . . . . . 133 VAL H . 27613 1 145 . 1 . 1 66 66 VAL C C 13 174.363 0.00 . . . . . . . 133 VAL C . 27613 1 146 . 1 . 1 66 66 VAL CA C 13 61.384 0.12 . . . . . . . 133 VAL CA . 27613 1 147 . 1 . 1 66 66 VAL CB C 13 35.878 0.46 . . . . . . . 133 VAL CB . 27613 1 148 . 1 . 1 66 66 VAL N N 15 119.719 0.11 . . . . . . . 133 VAL N . 27613 1 149 . 1 . 1 67 67 GLN H H 1 8.650 0.01 . . . . . . . 134 GLN H . 27613 1 150 . 1 . 1 67 67 GLN C C 13 174.872 0.07 . . . . . . . 134 GLN C . 27613 1 151 . 1 . 1 67 67 GLN CA C 13 55.867 0.06 . . . . . . . 134 GLN CA . 27613 1 152 . 1 . 1 67 67 GLN CB C 13 35.126 0.12 . . . . . . . 134 GLN CB . 27613 1 153 . 1 . 1 67 67 GLN N N 15 121.304 0.08 . . . . . . . 134 GLN N . 27613 1 154 . 1 . 1 68 68 VAL H H 1 9.033 0.03 . . . . . . . 135 VAL H . 27613 1 155 . 1 . 1 68 68 VAL C C 13 175.829 0.00 . . . . . . . 135 VAL C . 27613 1 156 . 1 . 1 68 68 VAL CA C 13 63.523 0.05 . . . . . . . 135 VAL CA . 27613 1 157 . 1 . 1 68 68 VAL CB C 13 34.630 0.00 . . . . . . . 135 VAL CB . 27613 1 158 . 1 . 1 68 68 VAL N N 15 124.785 0.14 . . . . . . . 135 VAL N . 27613 1 159 . 1 . 1 70 70 LYS H H 1 8.420 0.01 . . . . . . . 137 LYS H . 27613 1 160 . 1 . 1 70 70 LYS C C 13 176.465 0.38 . . . . . . . 137 LYS C . 27613 1 161 . 1 . 1 70 70 LYS CA C 13 56.168 0.82 . . . . . . . 137 LYS CA . 27613 1 162 . 1 . 1 70 70 LYS CB C 13 32.235 2.91 . . . . . . . 137 LYS CB . 27613 1 163 . 1 . 1 70 70 LYS N N 15 122.475 0.06 . . . . . . . 137 LYS N . 27613 1 164 . 1 . 1 71 71 ASP H H 1 8.609 0.01 . . . . . . . 138 ASP H . 27613 1 165 . 1 . 1 71 71 ASP C C 13 177.291 0.16 . . . . . . . 138 ASP C . 27613 1 166 . 1 . 1 71 71 ASP CA C 13 54.492 0.52 . . . . . . . 138 ASP CA . 27613 1 167 . 1 . 1 71 71 ASP CB C 13 43.651 0.19 . . . . . . . 138 ASP CB . 27613 1 168 . 1 . 1 71 71 ASP N N 15 122.384 0.09 . . . . . . . 138 ASP N . 27613 1 169 . 1 . 1 72 72 LEU H H 1 8.729 0.01 . . . . . . . 139 LEU H . 27613 1 170 . 1 . 1 72 72 LEU C C 13 178.457 0.03 . . . . . . . 139 LEU C . 27613 1 171 . 1 . 1 72 72 LEU CA C 13 55.828 5.53 . . . . . . . 139 LEU CA . 27613 1 172 . 1 . 1 72 72 LEU CB C 13 42.602 0.14 . . . . . . . 139 LEU CB . 27613 1 173 . 1 . 1 72 72 LEU N N 15 128.597 0.08 . . . . . . . 139 LEU N . 27613 1 174 . 1 . 1 73 73 LYS H H 1 8.421 0.02 . . . . . . . 140 LYS H . 27613 1 175 . 1 . 1 73 73 LYS C C 13 177.265 1.44 . . . . . . . 140 LYS C . 27613 1 176 . 1 . 1 73 73 LYS CA C 13 59.114 0.03 . . . . . . . 140 LYS CA . 27613 1 177 . 1 . 1 73 73 LYS CB C 13 33.452 0.15 . . . . . . . 140 LYS CB . 27613 1 178 . 1 . 1 73 73 LYS N N 15 118.123 0.13 . . . . . . . 140 LYS N . 27613 1 179 . 1 . 1 74 74 THR H H 1 7.986 0.01 . . . . . . . 141 THR H . 27613 1 180 . 1 . 1 74 74 THR C C 13 176.480 0.03 . . . . . . . 141 THR C . 27613 1 181 . 1 . 1 74 74 THR CA C 13 62.562 0.05 . . . . . . . 141 THR CA . 27613 1 182 . 1 . 1 74 74 THR CB C 13 71.370 0.11 . . . . . . . 141 THR CB . 27613 1 183 . 1 . 1 74 74 THR N N 15 107.460 0.08 . . . . . . . 141 THR N . 27613 1 184 . 1 . 1 75 75 GLY H H 1 8.129 0.02 . . . . . . . 142 GLY H . 27613 1 185 . 1 . 1 75 75 GLY C C 13 174.315 0.66 . . . . . . . 142 GLY C . 27613 1 186 . 1 . 1 75 75 GLY CA C 13 46.407 0.06 . . . . . . . 142 GLY CA . 27613 1 187 . 1 . 1 75 75 GLY N N 15 110.659 0.08 . . . . . . . 142 GLY N . 27613 1 188 . 1 . 1 76 76 HIS H H 1 7.806 0.02 . . . . . . . 143 HIS H . 27613 1 189 . 1 . 1 76 76 HIS C C 13 174.659 0.48 . . . . . . . 143 HIS C . 27613 1 190 . 1 . 1 76 76 HIS CA C 13 56.655 0.39 . . . . . . . 143 HIS CA . 27613 1 191 . 1 . 1 76 76 HIS CB C 13 31.686 0.15 . . . . . . . 143 HIS CB . 27613 1 192 . 1 . 1 76 76 HIS N N 15 119.248 0.13 . . . . . . . 143 HIS N . 27613 1 193 . 1 . 1 77 77 SER H H 1 8.117 0.03 . . . . . . . 144 SER H . 27613 1 194 . 1 . 1 77 77 SER C C 13 175.572 0.57 . . . . . . . 144 SER C . 27613 1 195 . 1 . 1 77 77 SER CA C 13 59.215 0.08 . . . . . . . 144 SER CA . 27613 1 196 . 1 . 1 77 77 SER CB C 13 64.997 0.14 . . . . . . . 144 SER CB . 27613 1 197 . 1 . 1 77 77 SER N N 15 115.664 0.07 . . . . . . . 144 SER N . 27613 1 198 . 1 . 1 78 78 LYS H H 1 8.899 0.01 . . . . . . . 145 LYS H . 27613 1 199 . 1 . 1 78 78 LYS C C 13 177.675 0.05 . . . . . . . 145 LYS C . 27613 1 200 . 1 . 1 78 78 LYS CA C 13 56.813 0.10 . . . . . . . 145 LYS CA . 27613 1 201 . 1 . 1 78 78 LYS CB C 13 33.554 0.15 . . . . . . . 145 LYS CB . 27613 1 202 . 1 . 1 78 78 LYS N N 15 123.949 0.07 . . . . . . . 145 LYS N . 27613 1 203 . 1 . 1 79 79 GLY H H 1 9.219 0.01 . . . . . . . 146 GLY H . 27613 1 204 . 1 . 1 79 79 GLY C C 13 173.895 1.87 . . . . . . . 146 GLY C . 27613 1 205 . 1 . 1 79 79 GLY CA C 13 46.475 0.12 . . . . . . . 146 GLY CA . 27613 1 206 . 1 . 1 79 79 GLY N N 15 108.088 0.09 . . . . . . . 146 GLY N . 27613 1 207 . 1 . 1 80 80 PHE H H 1 7.219 0.02 . . . . . . . 147 PHE H . 27613 1 208 . 1 . 1 80 80 PHE C C 13 173.735 1.56 . . . . . . . 147 PHE C . 27613 1 209 . 1 . 1 80 80 PHE CA C 13 56.124 0.06 . . . . . . . 147 PHE CA . 27613 1 210 . 1 . 1 80 80 PHE CB C 13 42.396 0.06 . . . . . . . 147 PHE CB . 27613 1 211 . 1 . 1 80 80 PHE N N 15 112.823 0.05 . . . . . . . 147 PHE N . 27613 1 212 . 1 . 1 81 81 GLY H H 1 8.539 0.01 . . . . . . . 148 GLY H . 27613 1 213 . 1 . 1 81 81 GLY C C 13 170.421 0.04 . . . . . . . 148 GLY C . 27613 1 214 . 1 . 1 81 81 GLY CA C 13 45.616 0.06 . . . . . . . 148 GLY CA . 27613 1 215 . 1 . 1 81 81 GLY N N 15 107.457 0.13 . . . . . . . 148 GLY N . 27613 1 216 . 1 . 1 82 82 PHE H H 1 9.096 0.02 . . . . . . . 149 PHE H . 27613 1 217 . 1 . 1 82 82 PHE C C 13 174.728 0.80 . . . . . . . 149 PHE C . 27613 1 218 . 1 . 1 82 82 PHE CA C 13 56.666 0.14 . . . . . . . 149 PHE CA . 27613 1 219 . 1 . 1 82 82 PHE CB C 13 45.625 0.12 . . . . . . . 149 PHE CB . 27613 1 220 . 1 . 1 82 82 PHE N N 15 117.023 0.09 . . . . . . . 149 PHE N . 27613 1 221 . 1 . 1 83 83 VAL H H 1 8.750 0.02 . . . . . . . 150 VAL H . 27613 1 222 . 1 . 1 83 83 VAL C C 13 171.244 0.03 . . . . . . . 150 VAL C . 27613 1 223 . 1 . 1 83 83 VAL CA C 13 60.004 0.13 . . . . . . . 150 VAL CA . 27613 1 224 . 1 . 1 83 83 VAL CB C 13 35.817 0.12 . . . . . . . 150 VAL CB . 27613 1 225 . 1 . 1 83 83 VAL N N 15 117.214 0.07 . . . . . . . 150 VAL N . 27613 1 226 . 1 . 1 84 84 ARG H H 1 8.176 0.01 . . . . . . . 151 ARG H . 27613 1 227 . 1 . 1 84 84 ARG C C 13 174.621 0.15 . . . . . . . 151 ARG C . 27613 1 228 . 1 . 1 84 84 ARG CA C 13 54.919 0.11 . . . . . . . 151 ARG CA . 27613 1 229 . 1 . 1 84 84 ARG CB C 13 35.192 0.03 . . . . . . . 151 ARG CB . 27613 1 230 . 1 . 1 84 84 ARG N N 15 125.737 0.10 . . . . . . . 151 ARG N . 27613 1 231 . 1 . 1 85 85 PHE H H 1 9.050 0.00 . . . . . . . 152 PHE H . 27613 1 232 . 1 . 1 85 85 PHE C C 13 176.637 0.02 . . . . . . . 152 PHE C . 27613 1 233 . 1 . 1 85 85 PHE CA C 13 59.365 0.09 . . . . . . . 152 PHE CA . 27613 1 234 . 1 . 1 85 85 PHE CB C 13 41.963 0.19 . . . . . . . 152 PHE CB . 27613 1 235 . 1 . 1 85 85 PHE N N 15 127.419 0.09 . . . . . . . 152 PHE N . 27613 1 236 . 1 . 1 86 86 THR H H 1 8.028 0.03 . . . . . . . 153 THR H . 27613 1 237 . 1 . 1 86 86 THR C C 13 175.744 0.15 . . . . . . . 153 THR C . 27613 1 238 . 1 . 1 86 86 THR CA C 13 66.262 0.04 . . . . . . . 153 THR CA . 27613 1 239 . 1 . 1 86 86 THR CB C 13 69.421 0.09 . . . . . . . 153 THR CB . 27613 1 240 . 1 . 1 86 86 THR N N 15 114.140 0.05 . . . . . . . 153 THR N . 27613 1 241 . 1 . 1 87 87 GLU H H 1 8.483 0.01 . . . . . . . 154 GLU H . 27613 1 242 . 1 . 1 87 87 GLU C C 13 176.817 0.03 . . . . . . . 154 GLU C . 27613 1 243 . 1 . 1 87 87 GLU CA C 13 55.428 0.08 . . . . . . . 154 GLU CA . 27613 1 244 . 1 . 1 87 87 GLU CB C 13 32.263 0.14 . . . . . . . 154 GLU CB . 27613 1 245 . 1 . 1 87 87 GLU N N 15 119.072 0.06 . . . . . . . 154 GLU N . 27613 1 246 . 1 . 1 88 88 TYR H H 1 9.143 0.01 . . . . . . . 155 TYR H . 27613 1 247 . 1 . 1 88 88 TYR C C 13 176.732 0.06 . . . . . . . 155 TYR C . 27613 1 248 . 1 . 1 88 88 TYR CA C 13 63.005 0.03 . . . . . . . 155 TYR CA . 27613 1 249 . 1 . 1 88 88 TYR CB C 13 39.318 0.25 . . . . . . . 155 TYR CB . 27613 1 250 . 1 . 1 88 88 TYR N N 15 127.665 0.10 . . . . . . . 155 TYR N . 27613 1 251 . 1 . 1 89 89 GLU H H 1 9.336 0.02 . . . . . . . 156 GLU H . 27613 1 252 . 1 . 1 89 89 GLU C C 13 178.957 0.06 . . . . . . . 156 GLU C . 27613 1 253 . 1 . 1 89 89 GLU CA C 13 60.777 0.14 . . . . . . . 156 GLU CA . 27613 1 254 . 1 . 1 89 89 GLU CB C 13 29.709 0.12 . . . . . . . 156 GLU CB . 27613 1 255 . 1 . 1 89 89 GLU N N 15 117.060 0.06 . . . . . . . 156 GLU N . 27613 1 256 . 1 . 1 90 90 THR H H 1 6.917 0.02 . . . . . . . 157 THR H . 27613 1 257 . 1 . 1 90 90 THR C C 13 173.664 0.74 . . . . . . . 157 THR C . 27613 1 258 . 1 . 1 90 90 THR CA C 13 66.337 0.12 . . . . . . . 157 THR CA . 27613 1 259 . 1 . 1 90 90 THR CB C 13 68.595 0.13 . . . . . . . 157 THR CB . 27613 1 260 . 1 . 1 90 90 THR N N 15 115.733 0.05 . . . . . . . 157 THR N . 27613 1 261 . 1 . 1 91 91 GLN H H 1 7.079 0.02 . . . . . . . 158 GLN H . 27613 1 262 . 1 . 1 91 91 GLN C C 13 174.325 1.73 . . . . . . . 158 GLN C . 27613 1 263 . 1 . 1 91 91 GLN CA C 13 60.551 0.05 . . . . . . . 158 GLN CA . 27613 1 264 . 1 . 1 91 91 GLN CB C 13 30.077 0.13 . . . . . . . 158 GLN CB . 27613 1 265 . 1 . 1 91 91 GLN N N 15 121.857 0.06 . . . . . . . 158 GLN N . 27613 1 266 . 1 . 1 92 92 VAL H H 1 7.789 0.01 . . . . . . . 159 VAL H . 27613 1 267 . 1 . 1 92 92 VAL C C 13 179.382 0.27 . . . . . . . 159 VAL C . 27613 1 268 . 1 . 1 92 92 VAL CA C 13 67.200 0.06 . . . . . . . 159 VAL CA . 27613 1 269 . 1 . 1 92 92 VAL CB C 13 32.545 0.11 . . . . . . . 159 VAL CB . 27613 1 270 . 1 . 1 92 92 VAL N N 15 117.339 0.13 . . . . . . . 159 VAL N . 27613 1 271 . 1 . 1 93 93 LYS H H 1 7.360 0.02 . . . . . . . 160 LYS H . 27613 1 272 . 1 . 1 93 93 LYS C C 13 180.278 0.02 . . . . . . . 160 LYS C . 27613 1 273 . 1 . 1 93 93 LYS CA C 13 60.330 0.10 . . . . . . . 160 LYS CA . 27613 1 274 . 1 . 1 93 93 LYS CB C 13 32.903 0.14 . . . . . . . 160 LYS CB . 27613 1 275 . 1 . 1 93 93 LYS N N 15 121.467 0.07 . . . . . . . 160 LYS N . 27613 1 276 . 1 . 1 94 94 VAL H H 1 8.076 0.01 . . . . . . . 161 VAL H . 27613 1 277 . 1 . 1 94 94 VAL C C 13 178.506 0.00 . . . . . . . 161 VAL C . 27613 1 278 . 1 . 1 94 94 VAL CA C 13 67.535 0.06 . . . . . . . 161 VAL CA . 27613 1 279 . 1 . 1 94 94 VAL CB C 13 31.811 0.26 . . . . . . . 161 VAL CB . 27613 1 280 . 1 . 1 94 94 VAL N N 15 119.646 0.08 . . . . . . . 161 VAL N . 27613 1 281 . 1 . 1 95 95 MET H H 1 8.094 0.01 . . . . . . . 162 MET H . 27613 1 282 . 1 . 1 95 95 MET C C 13 177.077 0.04 . . . . . . . 162 MET C . 27613 1 283 . 1 . 1 95 95 MET CA C 13 58.861 0.12 . . . . . . . 162 MET CA . 27613 1 284 . 1 . 1 95 95 MET CB C 13 34.631 0.16 . . . . . . . 162 MET CB . 27613 1 285 . 1 . 1 95 95 MET N N 15 118.280 0.07 . . . . . . . 162 MET N . 27613 1 286 . 1 . 1 96 96 SER H H 1 7.406 0.02 . . . . . . . 163 SER H . 27613 1 287 . 1 . 1 96 96 SER C C 13 172.187 0.05 . . . . . . . 163 SER C . 27613 1 288 . 1 . 1 96 96 SER CA C 13 60.490 0.08 . . . . . . . 163 SER CA . 27613 1 289 . 1 . 1 96 96 SER CB C 13 64.885 0.11 . . . . . . . 163 SER CB . 27613 1 290 . 1 . 1 96 96 SER N N 15 112.641 0.05 . . . . . . . 163 SER N . 27613 1 291 . 1 . 1 97 97 GLN H H 1 7.328 0.02 . . . . . . . 164 GLN H . 27613 1 292 . 1 . 1 97 97 GLN C C 13 174.016 0.06 . . . . . . . 164 GLN C . 27613 1 293 . 1 . 1 97 97 GLN CA C 13 54.425 0.21 . . . . . . . 164 GLN CA . 27613 1 294 . 1 . 1 97 97 GLN CB C 13 34.410 0.03 . . . . . . . 164 GLN CB . 27613 1 295 . 1 . 1 97 97 GLN N N 15 116.654 0.06 . . . . . . . 164 GLN N . 27613 1 296 . 1 . 1 98 98 ARG H H 1 8.287 0.02 . . . . . . . 165 ARG H . 27613 1 297 . 1 . 1 98 98 ARG C C 13 176.062 0.02 . . . . . . . 165 ARG C . 27613 1 298 . 1 . 1 98 98 ARG CA C 13 57.012 0.05 . . . . . . . 165 ARG CA . 27613 1 299 . 1 . 1 98 98 ARG CB C 13 32.768 0.06 . . . . . . . 165 ARG CB . 27613 1 300 . 1 . 1 98 98 ARG N N 15 118.908 0.08 . . . . . . . 165 ARG N . 27613 1 301 . 1 . 1 99 99 HIS H H 1 8.733 0.02 . . . . . . . 166 HIS H . 27613 1 302 . 1 . 1 99 99 HIS C C 13 173.507 0.03 . . . . . . . 166 HIS C . 27613 1 303 . 1 . 1 99 99 HIS CA C 13 57.504 0.05 . . . . . . . 166 HIS CA . 27613 1 304 . 1 . 1 99 99 HIS CB C 13 35.103 0.13 . . . . . . . 166 HIS CB . 27613 1 305 . 1 . 1 99 99 HIS N N 15 118.617 0.10 . . . . . . . 166 HIS N . 27613 1 306 . 1 . 1 100 100 MET H H 1 8.809 0.01 . . . . . . . 167 MET H . 27613 1 307 . 1 . 1 100 100 MET C C 13 173.492 0.07 . . . . . . . 167 MET C . 27613 1 308 . 1 . 1 100 100 MET CA C 13 54.739 0.15 . . . . . . . 167 MET CA . 27613 1 309 . 1 . 1 100 100 MET CB C 13 29.883 0.16 . . . . . . . 167 MET CB . 27613 1 310 . 1 . 1 100 100 MET N N 15 129.245 0.06 . . . . . . . 167 MET N . 27613 1 311 . 1 . 1 101 101 ILE H H 1 8.283 0.02 . . . . . . . 168 ILE H . 27613 1 312 . 1 . 1 101 101 ILE C C 13 174.239 0.10 . . . . . . . 168 ILE C . 27613 1 313 . 1 . 1 101 101 ILE CA C 13 61.199 0.03 . . . . . . . 168 ILE CA . 27613 1 314 . 1 . 1 101 101 ILE CB C 13 39.834 0.11 . . . . . . . 168 ILE CB . 27613 1 315 . 1 . 1 101 101 ILE N N 15 128.795 0.10 . . . . . . . 168 ILE N . 27613 1 316 . 1 . 1 102 102 ASP H H 1 8.529 0.02 . . . . . . . 169 ASP H . 27613 1 317 . 1 . 1 102 102 ASP C C 13 175.563 0.03 . . . . . . . 169 ASP C . 27613 1 318 . 1 . 1 102 102 ASP CA C 13 55.898 0.08 . . . . . . . 169 ASP CA . 27613 1 319 . 1 . 1 102 102 ASP CB C 13 41.196 0.17 . . . . . . . 169 ASP CB . 27613 1 320 . 1 . 1 102 102 ASP N N 15 125.192 0.07 . . . . . . . 169 ASP N . 27613 1 321 . 1 . 1 103 103 GLY H H 1 7.746 0.02 . . . . . . . 170 GLY H . 27613 1 322 . 1 . 1 103 103 GLY C C 13 174.049 0.29 . . . . . . . 170 GLY C . 27613 1 323 . 1 . 1 103 103 GLY CA C 13 46.342 0.08 . . . . . . . 170 GLY CA . 27613 1 324 . 1 . 1 103 103 GLY N N 15 101.097 0.10 . . . . . . . 170 GLY N . 27613 1 325 . 1 . 1 104 104 ARG H H 1 7.557 0.01 . . . . . . . 171 ARG H . 27613 1 326 . 1 . 1 104 104 ARG C C 13 176.202 0.02 . . . . . . . 171 ARG C . 27613 1 327 . 1 . 1 104 104 ARG CA C 13 54.045 0.06 . . . . . . . 171 ARG CA . 27613 1 328 . 1 . 1 104 104 ARG CB C 13 33.833 0.09 . . . . . . . 171 ARG CB . 27613 1 329 . 1 . 1 104 104 ARG N N 15 121.916 0.05 . . . . . . . 171 ARG N . 27613 1 330 . 1 . 1 105 105 TRP H H 1 8.450 0.01 . . . . . . . 172 TRP H . 27613 1 331 . 1 . 1 105 105 TRP C C 13 177.091 0.04 . . . . . . . 172 TRP C . 27613 1 332 . 1 . 1 105 105 TRP CA C 13 58.358 0.12 . . . . . . . 172 TRP CA . 27613 1 333 . 1 . 1 105 105 TRP CB C 13 30.637 0.38 . . . . . . . 172 TRP CB . 27613 1 334 . 1 . 1 105 105 TRP N N 15 122.094 0.03 . . . . . . . 172 TRP N . 27613 1 335 . 1 . 1 106 106 CYS H H 1 9.936 0.02 . . . . . . . 173 CYS H . 27613 1 336 . 1 . 1 106 106 CYS C C 13 174.408 0.47 . . . . . . . 173 CYS C . 27613 1 337 . 1 . 1 106 106 CYS CA C 13 59.399 0.10 . . . . . . . 173 CYS CA . 27613 1 338 . 1 . 1 106 106 CYS CB C 13 31.971 0.06 . . . . . . . 173 CYS CB . 27613 1 339 . 1 . 1 106 106 CYS N N 15 124.345 0.05 . . . . . . . 173 CYS N . 27613 1 340 . 1 . 1 107 107 ASP H H 1 7.955 0.02 . . . . . . . 174 ASP H . 27613 1 341 . 1 . 1 107 107 ASP C C 13 176.539 2.83 . . . . . . . 174 ASP C . 27613 1 342 . 1 . 1 107 107 ASP CA C 13 54.578 0.06 . . . . . . . 174 ASP CA . 27613 1 343 . 1 . 1 107 107 ASP CB C 13 46.247 0.17 . . . . . . . 174 ASP CB . 27613 1 344 . 1 . 1 107 107 ASP N N 15 120.066 0.09 . . . . . . . 174 ASP N . 27613 1 345 . 1 . 1 108 108 CYS H H 1 9.439 0.02 . . . . . . . 175 CYS H . 27613 1 346 . 1 . 1 108 108 CYS C C 13 175.058 1.40 . . . . . . . 175 CYS C . 27613 1 347 . 1 . 1 108 108 CYS CA C 13 58.208 0.10 . . . . . . . 175 CYS CA . 27613 1 348 . 1 . 1 108 108 CYS CB C 13 30.565 0.12 . . . . . . . 175 CYS CB . 27613 1 349 . 1 . 1 108 108 CYS N N 15 119.978 0.06 . . . . . . . 175 CYS N . 27613 1 350 . 1 . 1 109 109 LYS H H 1 8.947 0.01 . . . . . . . 176 LYS H . 27613 1 351 . 1 . 1 109 109 LYS C C 13 176.197 1.91 . . . . . . . 176 LYS C . 27613 1 352 . 1 . 1 109 109 LYS CA C 13 55.394 1.18 . . . . . . . 176 LYS CA . 27613 1 353 . 1 . 1 109 109 LYS CB C 13 37.248 0.15 . . . . . . . 176 LYS CB . 27613 1 354 . 1 . 1 109 109 LYS N N 15 122.099 0.10 . . . . . . . 176 LYS N . 27613 1 355 . 1 . 1 110 110 LEU H H 1 8.590 0.02 . . . . . . . 177 LEU H . 27613 1 356 . 1 . 1 110 110 LEU C C 13 175.967 0.00 . . . . . . . 177 LEU C . 27613 1 357 . 1 . 1 110 110 LEU CA C 13 53.725 0.00 . . . . . . . 177 LEU CA . 27613 1 358 . 1 . 1 110 110 LEU CB C 13 42.538 0.00 . . . . . . . 177 LEU CB . 27613 1 359 . 1 . 1 110 110 LEU N N 15 123.266 0.09 . . . . . . . 177 LEU N . 27613 1 360 . 1 . 1 118 118 ASP C C 13 176.108 0.00 . . . . . . . 185 ASP C . 27613 1 361 . 1 . 1 118 118 ASP CA C 13 56.944 0.02 . . . . . . . 185 ASP CA . 27613 1 362 . 1 . 1 119 119 GLU H H 1 8.356 0.00 . . . . . . . 186 GLU H . 27613 1 363 . 1 . 1 119 119 GLU CA C 13 55.291 0.11 . . . . . . . 186 GLU CA . 27613 1 364 . 1 . 1 119 119 GLU N N 15 121.644 0.06 . . . . . . . 186 GLU N . 27613 1 365 . 1 . 1 121 121 LEU CA C 13 56.264 0.14 . . . . . . . 188 LEU CA . 27613 1 366 . 1 . 1 121 121 LEU CB C 13 42.945 0.11 . . . . . . . 188 LEU CB . 27613 1 367 . 1 . 1 122 122 ARG H H 1 8.257 0.00 . . . . . . . 189 ARG H . 27613 1 368 . 1 . 1 122 122 ARG CA C 13 57.138 0.06 . . . . . . . 189 ARG CA . 27613 1 369 . 1 . 1 122 122 ARG N N 15 122.436 0.03 . . . . . . . 189 ARG N . 27613 1 370 . 1 . 1 123 123 SER H H 1 8.248 0.02 . . . . . . . 190 SER H . 27613 1 371 . 1 . 1 123 123 SER C C 13 174.835 0.00 . . . . . . . 190 SER C . 27613 1 372 . 1 . 1 123 123 SER CA C 13 59.469 0.07 . . . . . . . 190 SER CA . 27613 1 373 . 1 . 1 123 123 SER CB C 13 64.366 0.01 . . . . . . . 190 SER CB . 27613 1 374 . 1 . 1 123 123 SER N N 15 116.884 0.09 . . . . . . . 190 SER N . 27613 1 375 . 1 . 1 124 124 ARG H H 1 8.321 0.00 . . . . . . . 191 ARG H . 27613 1 376 . 1 . 1 124 124 ARG CA C 13 56.762 0.00 . . . . . . . 191 ARG CA . 27613 1 377 . 1 . 1 124 124 ARG CB C 13 33.798 0.00 . . . . . . . 191 ARG CB . 27613 1 378 . 1 . 1 124 124 ARG N N 15 121.844 0.08 . . . . . . . 191 ARG N . 27613 1 379 . 1 . 1 125 125 LYS C C 13 175.710 0.02 . . . . . . . 192 LYS C . 27613 1 380 . 1 . 1 125 125 LYS CA C 13 55.957 0.09 . . . . . . . 192 LYS CA . 27613 1 381 . 1 . 1 125 125 LYS CB C 13 35.948 0.05 . . . . . . . 192 LYS CB . 27613 1 382 . 1 . 1 126 126 VAL H H 1 9.051 0.02 . . . . . . . 193 VAL H . 27613 1 383 . 1 . 1 126 126 VAL C C 13 173.739 0.12 . . . . . . . 193 VAL C . 27613 1 384 . 1 . 1 126 126 VAL CA C 13 59.871 0.04 . . . . . . . 193 VAL CA . 27613 1 385 . 1 . 1 126 126 VAL CB C 13 34.671 0.13 . . . . . . . 193 VAL CB . 27613 1 386 . 1 . 1 126 126 VAL N N 15 117.904 0.02 . . . . . . . 193 VAL N . 27613 1 387 . 1 . 1 127 127 PHE H H 1 9.007 0.02 . . . . . . . 194 PHE H . 27613 1 388 . 1 . 1 127 127 PHE C C 13 178.522 0.00 . . . . . . . 194 PHE C . 27613 1 389 . 1 . 1 127 127 PHE CA C 13 58.255 0.26 . . . . . . . 194 PHE CA . 27613 1 390 . 1 . 1 127 127 PHE CB C 13 42.882 0.68 . . . . . . . 194 PHE CB . 27613 1 391 . 1 . 1 127 127 PHE N N 15 123.198 0.07 . . . . . . . 194 PHE N . 27613 1 392 . 1 . 1 128 128 VAL H H 1 8.617 0.23 . . . . . . . 195 VAL H . 27613 1 393 . 1 . 1 128 128 VAL C C 13 174.897 0.03 . . . . . . . 195 VAL C . 27613 1 394 . 1 . 1 128 128 VAL CA C 13 62.396 1.98 . . . . . . . 195 VAL CA . 27613 1 395 . 1 . 1 128 128 VAL CB C 13 32.919 0.06 . . . . . . . 195 VAL CB . 27613 1 396 . 1 . 1 128 128 VAL N N 15 121.025 1.04 . . . . . . . 195 VAL N . 27613 1 397 . 1 . 1 129 129 GLY H H 1 9.329 0.01 . . . . . . . 196 GLY H . 27613 1 398 . 1 . 1 129 129 GLY C C 13 173.631 0.05 . . . . . . . 196 GLY C . 27613 1 399 . 1 . 1 129 129 GLY CA C 13 45.020 0.08 . . . . . . . 196 GLY CA . 27613 1 400 . 1 . 1 129 129 GLY N N 15 113.778 0.05 . . . . . . . 196 GLY N . 27613 1 401 . 1 . 1 130 130 ARG H H 1 8.264 0.02 . . . . . . . 197 ARG H . 27613 1 402 . 1 . 1 130 130 ARG C C 13 176.468 0.02 . . . . . . . 197 ARG C . 27613 1 403 . 1 . 1 130 130 ARG CA C 13 58.897 0.08 . . . . . . . 197 ARG CA . 27613 1 404 . 1 . 1 130 130 ARG CB C 13 29.074 0.15 . . . . . . . 197 ARG CB . 27613 1 405 . 1 . 1 130 130 ARG N N 15 111.835 0.04 . . . . . . . 197 ARG N . 27613 1 406 . 1 . 1 131 131 CYS H H 1 7.152 0.02 . . . . . . . 198 CYS H . 27613 1 407 . 1 . 1 131 131 CYS C C 13 174.867 0.03 . . . . . . . 198 CYS C . 27613 1 408 . 1 . 1 131 131 CYS CA C 13 61.481 0.04 . . . . . . . 198 CYS CA . 27613 1 409 . 1 . 1 131 131 CYS CB C 13 29.154 0.13 . . . . . . . 198 CYS CB . 27613 1 410 . 1 . 1 131 131 CYS N N 15 114.047 0.05 . . . . . . . 198 CYS N . 27613 1 411 . 1 . 1 132 132 THR H H 1 7.695 0.02 . . . . . . . 199 THR H . 27613 1 412 . 1 . 1 132 132 THR C C 13 177.817 0.83 . . . . . . . 199 THR C . 27613 1 413 . 1 . 1 132 132 THR CA C 13 61.060 0.06 . . . . . . . 199 THR CA . 27613 1 414 . 1 . 1 132 132 THR CB C 13 71.384 0.12 . . . . . . . 199 THR CB . 27613 1 415 . 1 . 1 132 132 THR N N 15 110.478 0.06 . . . . . . . 199 THR N . 27613 1 416 . 1 . 1 133 133 GLU H H 1 8.991 0.01 . . . . . . . 200 GLU H . 27613 1 417 . 1 . 1 133 133 GLU C C 13 175.237 0.31 . . . . . . . 200 GLU C . 27613 1 418 . 1 . 1 133 133 GLU CA C 13 59.485 0.09 . . . . . . . 200 GLU CA . 27613 1 419 . 1 . 1 133 133 GLU CB C 13 29.915 0.17 . . . . . . . 200 GLU CB . 27613 1 420 . 1 . 1 133 133 GLU N N 15 122.183 0.06 . . . . . . . 200 GLU N . 27613 1 421 . 1 . 1 134 134 ASP H H 1 7.930 0.01 . . . . . . . 201 ASP H . 27613 1 422 . 1 . 1 134 134 ASP C C 13 176.009 0.02 . . . . . . . 201 ASP C . 27613 1 423 . 1 . 1 134 134 ASP CA C 13 54.303 0.06 . . . . . . . 201 ASP CA . 27613 1 424 . 1 . 1 134 134 ASP CB C 13 41.821 0.13 . . . . . . . 201 ASP CB . 27613 1 425 . 1 . 1 134 134 ASP N N 15 114.052 0.06 . . . . . . . 201 ASP N . 27613 1 426 . 1 . 1 135 135 MET H H 1 7.096 0.02 . . . . . . . 202 MET H . 27613 1 427 . 1 . 1 135 135 MET C C 13 175.790 2.94 . . . . . . . 202 MET C . 27613 1 428 . 1 . 1 135 135 MET CA C 13 57.192 0.05 . . . . . . . 202 MET CA . 27613 1 429 . 1 . 1 135 135 MET CB C 13 33.080 0.17 . . . . . . . 202 MET CB . 27613 1 430 . 1 . 1 135 135 MET N N 15 120.280 0.05 . . . . . . . 202 MET N . 27613 1 431 . 1 . 1 136 136 THR H H 1 8.152 0.01 . . . . . . . 203 THR H . 27613 1 432 . 1 . 1 136 136 THR C C 13 175.265 0.17 . . . . . . . 203 THR C . 27613 1 433 . 1 . 1 136 136 THR CA C 13 60.358 0.10 . . . . . . . 203 THR CA . 27613 1 434 . 1 . 1 136 136 THR CB C 13 72.551 0.06 . . . . . . . 203 THR CB . 27613 1 435 . 1 . 1 136 136 THR N N 15 114.042 0.06 . . . . . . . 203 THR N . 27613 1 436 . 1 . 1 137 137 GLU H H 1 9.541 0.01 . . . . . . . 204 GLU H . 27613 1 437 . 1 . 1 137 137 GLU C C 13 176.444 1.67 . . . . . . . 204 GLU C . 27613 1 438 . 1 . 1 137 137 GLU CA C 13 61.879 0.05 . . . . . . . 204 GLU CA . 27613 1 439 . 1 . 1 137 137 GLU CB C 13 29.702 0.11 . . . . . . . 204 GLU CB . 27613 1 440 . 1 . 1 137 137 GLU N N 15 121.570 0.08 . . . . . . . 204 GLU N . 27613 1 441 . 1 . 1 138 138 ASP H H 1 8.317 0.02 . . . . . . . 205 ASP H . 27613 1 442 . 1 . 1 138 138 ASP C C 13 178.875 0.03 . . . . . . . 205 ASP C . 27613 1 443 . 1 . 1 138 138 ASP CA C 13 58.300 0.07 . . . . . . . 205 ASP CA . 27613 1 444 . 1 . 1 138 138 ASP CB C 13 41.484 0.15 . . . . . . . 205 ASP CB . 27613 1 445 . 1 . 1 138 138 ASP N N 15 117.517 0.06 . . . . . . . 205 ASP N . 27613 1 446 . 1 . 1 139 139 GLU H H 1 7.823 0.02 . . . . . . . 206 GLU H . 27613 1 447 . 1 . 1 139 139 GLU C C 13 179.015 1.29 . . . . . . . 206 GLU C . 27613 1 448 . 1 . 1 139 139 GLU CA C 13 57.989 1.80 . . . . . . . 206 GLU CA . 27613 1 449 . 1 . 1 139 139 GLU CB C 13 31.267 0.67 . . . . . . . 206 GLU CB . 27613 1 450 . 1 . 1 139 139 GLU N N 15 121.443 0.07 . . . . . . . 206 GLU N . 27613 1 451 . 1 . 1 140 140 LEU H H 1 8.222 0.02 . . . . . . . 207 LEU H . 27613 1 452 . 1 . 1 140 140 LEU C C 13 175.274 0.00 . . . . . . . 207 LEU C . 27613 1 453 . 1 . 1 140 140 LEU CA C 13 54.130 0.01 . . . . . . . 207 LEU CA . 27613 1 454 . 1 . 1 140 140 LEU CB C 13 43.294 0.00 . . . . . . . 207 LEU CB . 27613 1 455 . 1 . 1 140 140 LEU N N 15 119.773 0.20 . . . . . . . 207 LEU N . 27613 1 456 . 1 . 1 143 143 PHE C C 13 178.702 0.03 . . . . . . . 210 PHE C . 27613 1 457 . 1 . 1 143 143 PHE CA C 13 63.096 0.07 . . . . . . . 210 PHE CA . 27613 1 458 . 1 . 1 143 143 PHE CB C 13 40.219 0.13 . . . . . . . 210 PHE CB . 27613 1 459 . 1 . 1 144 144 PHE H H 1 8.926 0.02 . . . . . . . 211 PHE H . 27613 1 460 . 1 . 1 144 144 PHE C C 13 177.358 0.02 . . . . . . . 211 PHE C . 27613 1 461 . 1 . 1 144 144 PHE CA C 13 63.093 2.67 . . . . . . . 211 PHE CA . 27613 1 462 . 1 . 1 144 144 PHE CB C 13 39.227 0.08 . . . . . . . 211 PHE CB . 27613 1 463 . 1 . 1 144 144 PHE N N 15 116.076 0.07 . . . . . . . 211 PHE N . 27613 1 464 . 1 . 1 145 145 SER H H 1 8.161 0.01 . . . . . . . 212 SER H . 27613 1 465 . 1 . 1 145 145 SER C C 13 176.212 1.19 . . . . . . . 212 SER C . 27613 1 466 . 1 . 1 145 145 SER CA C 13 62.059 0.10 . . . . . . . 212 SER CA . 27613 1 467 . 1 . 1 145 145 SER CB C 13 63.810 0.15 . . . . . . . 212 SER CB . 27613 1 468 . 1 . 1 145 145 SER N N 15 116.902 0.11 . . . . . . . 212 SER N . 27613 1 469 . 1 . 1 146 146 GLN H H 1 7.034 0.01 . . . . . . . 213 GLN H . 27613 1 470 . 1 . 1 146 146 GLN C C 13 176.536 0.16 . . . . . . . 213 GLN C . 27613 1 471 . 1 . 1 146 146 GLN CA C 13 58.280 0.08 . . . . . . . 213 GLN CA . 27613 1 472 . 1 . 1 146 146 GLN CB C 13 30.058 0.13 . . . . . . . 213 GLN CB . 27613 1 473 . 1 . 1 146 146 GLN N N 15 118.167 0.08 . . . . . . . 213 GLN N . 27613 1 474 . 1 . 1 147 147 TYR H H 1 7.805 0.01 . . . . . . . 214 TYR H . 27613 1 475 . 1 . 1 147 147 TYR C C 13 175.724 0.09 . . . . . . . 214 TYR C . 27613 1 476 . 1 . 1 147 147 TYR CA C 13 60.337 0.05 . . . . . . . 214 TYR CA . 27613 1 477 . 1 . 1 147 147 TYR CB C 13 39.790 0.12 . . . . . . . 214 TYR CB . 27613 1 478 . 1 . 1 147 147 TYR N N 15 117.959 0.11 . . . . . . . 214 TYR N . 27613 1 479 . 1 . 1 148 148 GLY H H 1 7.553 0.02 . . . . . . . 215 GLY H . 27613 1 480 . 1 . 1 148 148 GLY C C 13 171.667 2.32 . . . . . . . 215 GLY C . 27613 1 481 . 1 . 1 148 148 GLY CA C 13 45.607 0.08 . . . . . . . 215 GLY CA . 27613 1 482 . 1 . 1 148 148 GLY N N 15 105.401 0.11 . . . . . . . 215 GLY N . 27613 1 483 . 1 . 1 149 149 ASP H H 1 8.048 0.03 . . . . . . . 216 ASP H . 27613 1 484 . 1 . 1 149 149 ASP C C 13 176.774 0.05 . . . . . . . 216 ASP C . 27613 1 485 . 1 . 1 149 149 ASP CA C 13 56.491 0.13 . . . . . . . 216 ASP CA . 27613 1 486 . 1 . 1 149 149 ASP CB C 13 41.701 0.06 . . . . . . . 216 ASP CB . 27613 1 487 . 1 . 1 149 149 ASP N N 15 116.892 0.07 . . . . . . . 216 ASP N . 27613 1 488 . 1 . 1 150 150 VAL H H 1 9.066 0.01 . . . . . . . 217 VAL H . 27613 1 489 . 1 . 1 150 150 VAL C C 13 175.977 0.01 . . . . . . . 217 VAL C . 27613 1 490 . 1 . 1 150 150 VAL CA C 13 62.976 0.05 . . . . . . . 217 VAL CA . 27613 1 491 . 1 . 1 150 150 VAL CB C 13 34.199 0.29 . . . . . . . 217 VAL CB . 27613 1 492 . 1 . 1 150 150 VAL N N 15 127.923 0.08 . . . . . . . 217 VAL N . 27613 1 493 . 1 . 1 151 151 MET H H 1 8.920 0.01 . . . . . . . 218 MET H . 27613 1 494 . 1 . 1 151 151 MET C C 13 175.936 0.00 . . . . . . . 218 MET C . 27613 1 495 . 1 . 1 151 151 MET CA C 13 53.674 7.72 . . . . . . . 218 MET CA . 27613 1 496 . 1 . 1 151 151 MET CB C 13 34.483 0.10 . . . . . . . 218 MET CB . 27613 1 497 . 1 . 1 151 151 MET N N 15 126.025 0.12 . . . . . . . 218 MET N . 27613 1 498 . 1 . 1 152 152 ASP H H 1 7.490 0.02 . . . . . . . 219 ASP H . 27613 1 499 . 1 . 1 152 152 ASP C C 13 173.752 0.11 . . . . . . . 219 ASP C . 27613 1 500 . 1 . 1 152 152 ASP CA C 13 55.047 0.08 . . . . . . . 219 ASP CA . 27613 1 501 . 1 . 1 152 152 ASP CB C 13 45.444 0.19 . . . . . . . 219 ASP CB . 27613 1 502 . 1 . 1 152 152 ASP N N 15 116.757 0.05 . . . . . . . 219 ASP N . 27613 1 503 . 1 . 1 153 153 VAL H H 1 7.948 0.04 . . . . . . . 220 VAL H . 27613 1 504 . 1 . 1 153 153 VAL C C 13 174.556 1.83 . . . . . . . 220 VAL C . 27613 1 505 . 1 . 1 153 153 VAL CA C 13 62.785 0.17 . . . . . . . 220 VAL CA . 27613 1 506 . 1 . 1 153 153 VAL CB C 13 36.122 0.22 . . . . . . . 220 VAL CB . 27613 1 507 . 1 . 1 153 153 VAL N N 15 121.535 0.06 . . . . . . . 220 VAL N . 27613 1 508 . 1 . 1 154 154 PHE H H 1 8.916 0.02 . . . . . . . 221 PHE H . 27613 1 509 . 1 . 1 154 154 PHE C C 13 174.843 1.92 . . . . . . . 221 PHE C . 27613 1 510 . 1 . 1 154 154 PHE CA C 13 56.531 0.08 . . . . . . . 221 PHE CA . 27613 1 511 . 1 . 1 154 154 PHE CB C 13 43.498 0.23 . . . . . . . 221 PHE CB . 27613 1 512 . 1 . 1 154 154 PHE N N 15 127.210 0.11 . . . . . . . 221 PHE N . 27613 1 513 . 1 . 1 155 155 ILE H H 1 8.762 0.03 . . . . . . . 222 ILE H . 27613 1 514 . 1 . 1 155 155 ILE C C 13 173.198 0.00 . . . . . . . 222 ILE C . 27613 1 515 . 1 . 1 155 155 ILE CA C 13 59.051 0.09 . . . . . . . 222 ILE CA . 27613 1 516 . 1 . 1 155 155 ILE CB C 13 39.783 0.00 . . . . . . . 222 ILE CB . 27613 1 517 . 1 . 1 155 155 ILE N N 15 129.731 0.07 . . . . . . . 222 ILE N . 27613 1 518 . 1 . 1 158 158 PRO C C 13 175.620 0.00 . . . . . . . 225 PRO C . 27613 1 519 . 1 . 1 158 158 PRO CA C 13 63.207 0.07 . . . . . . . 225 PRO CA . 27613 1 520 . 1 . 1 158 158 PRO CB C 13 35.247 0.13 . . . . . . . 225 PRO CB . 27613 1 521 . 1 . 1 159 159 PHE H H 1 8.792 0.02 . . . . . . . 226 PHE H . 27613 1 522 . 1 . 1 159 159 PHE C C 13 176.415 0.46 . . . . . . . 226 PHE C . 27613 1 523 . 1 . 1 159 159 PHE CA C 13 60.684 0.06 . . . . . . . 226 PHE CA . 27613 1 524 . 1 . 1 159 159 PHE CB C 13 40.138 0.19 . . . . . . . 226 PHE CB . 27613 1 525 . 1 . 1 159 159 PHE N N 15 123.015 0.06 . . . . . . . 226 PHE N . 27613 1 526 . 1 . 1 160 160 ARG H H 1 8.565 0.02 . . . . . . . 227 ARG H . 27613 1 527 . 1 . 1 160 160 ARG C C 13 174.579 0.00 . . . . . . . 227 ARG C . 27613 1 528 . 1 . 1 160 160 ARG CA C 13 55.093 0.06 . . . . . . . 227 ARG CA . 27613 1 529 . 1 . 1 160 160 ARG CB C 13 32.012 0.00 . . . . . . . 227 ARG CB . 27613 1 530 . 1 . 1 160 160 ARG N N 15 128.056 0.08 . . . . . . . 227 ARG N . 27613 1 531 . 1 . 1 161 161 ALA CA C 13 54.571 0.10 . . . . . . . 228 ALA CA . 27613 1 532 . 1 . 1 161 161 ALA CB C 13 16.812 0.05 . . . . . . . 228 ALA CB . 27613 1 533 . 1 . 1 162 162 PHE H H 1 6.637 0.54 . . . . . . . 229 PHE H . 27613 1 534 . 1 . 1 162 162 PHE C C 13 174.227 0.98 . . . . . . . 229 PHE C . 27613 1 535 . 1 . 1 162 162 PHE CA C 13 56.012 0.91 . . . . . . . 229 PHE CA . 27613 1 536 . 1 . 1 162 162 PHE CB C 13 44.075 0.08 . . . . . . . 229 PHE CB . 27613 1 537 . 1 . 1 162 162 PHE N N 15 112.874 2.59 . . . . . . . 229 PHE N . 27613 1 538 . 1 . 1 163 163 ALA H H 1 8.269 0.01 . . . . . . . 230 ALA H . 27613 1 539 . 1 . 1 163 163 ALA C C 13 175.536 0.51 . . . . . . . 230 ALA C . 27613 1 540 . 1 . 1 163 163 ALA CA C 13 50.833 0.11 . . . . . . . 230 ALA CA . 27613 1 541 . 1 . 1 163 163 ALA CB C 13 25.375 0.14 . . . . . . . 230 ALA CB . 27613 1 542 . 1 . 1 163 163 ALA N N 15 120.001 0.05 . . . . . . . 230 ALA N . 27613 1 543 . 1 . 1 164 164 PHE H H 1 9.122 0.01 . . . . . . . 231 PHE H . 27613 1 544 . 1 . 1 164 164 PHE C C 13 175.851 0.02 . . . . . . . 231 PHE C . 27613 1 545 . 1 . 1 164 164 PHE CA C 13 56.510 0.10 . . . . . . . 231 PHE CA . 27613 1 546 . 1 . 1 164 164 PHE CB C 13 43.115 0.10 . . . . . . . 231 PHE CB . 27613 1 547 . 1 . 1 164 164 PHE N N 15 116.645 0.04 . . . . . . . 231 PHE N . 27613 1 548 . 1 . 1 165 165 VAL H H 1 8.630 0.02 . . . . . . . 232 VAL H . 27613 1 549 . 1 . 1 165 165 VAL C C 13 173.882 0.00 . . . . . . . 232 VAL C . 27613 1 550 . 1 . 1 165 165 VAL CA C 13 61.885 0.06 . . . . . . . 232 VAL CA . 27613 1 551 . 1 . 1 165 165 VAL CB C 13 35.490 0.13 . . . . . . . 232 VAL CB . 27613 1 552 . 1 . 1 165 165 VAL N N 15 124.013 0.11 . . . . . . . 232 VAL N . 27613 1 553 . 1 . 1 166 166 THR H H 1 8.713 0.02 . . . . . . . 233 THR H . 27613 1 554 . 1 . 1 166 166 THR C C 13 175.130 1.05 . . . . . . . 233 THR C . 27613 1 555 . 1 . 1 166 166 THR CA C 13 61.954 0.08 . . . . . . . 233 THR CA . 27613 1 556 . 1 . 1 166 166 THR CB C 13 70.192 0.10 . . . . . . . 233 THR CB . 27613 1 557 . 1 . 1 166 166 THR N N 15 122.294 0.05 . . . . . . . 233 THR N . 27613 1 558 . 1 . 1 167 167 PHE H H 1 9.036 0.02 . . . . . . . 234 PHE H . 27613 1 559 . 1 . 1 167 167 PHE C C 13 174.745 0.02 . . . . . . . 234 PHE C . 27613 1 560 . 1 . 1 167 167 PHE CA C 13 59.056 0.21 . . . . . . . 234 PHE CA . 27613 1 561 . 1 . 1 167 167 PHE CB C 13 42.088 0.19 . . . . . . . 234 PHE CB . 27613 1 562 . 1 . 1 167 167 PHE N N 15 127.866 0.06 . . . . . . . 234 PHE N . 27613 1 563 . 1 . 1 168 168 ALA H H 1 8.001 0.01 . . . . . . . 235 ALA H . 27613 1 564 . 1 . 1 168 168 ALA C C 13 176.994 0.16 . . . . . . . 235 ALA C . 27613 1 565 . 1 . 1 168 168 ALA CA C 13 55.070 0.06 . . . . . . . 235 ALA CA . 27613 1 566 . 1 . 1 168 168 ALA CB C 13 20.237 0.17 . . . . . . . 235 ALA CB . 27613 1 567 . 1 . 1 168 168 ALA N N 15 121.144 0.09 . . . . . . . 235 ALA N . 27613 1 568 . 1 . 1 169 169 ASP H H 1 8.460 0.02 . . . . . . . 236 ASP H . 27613 1 569 . 1 . 1 169 169 ASP C C 13 176.631 0.00 . . . . . . . 236 ASP C . 27613 1 570 . 1 . 1 169 169 ASP CA C 13 53.516 0.07 . . . . . . . 236 ASP CA . 27613 1 571 . 1 . 1 169 169 ASP CB C 13 44.097 0.11 . . . . . . . 236 ASP CB . 27613 1 572 . 1 . 1 169 169 ASP N N 15 116.910 0.06 . . . . . . . 236 ASP N . 27613 1 573 . 1 . 1 170 170 ASP H H 1 8.875 0.02 . . . . . . . 237 ASP H . 27613 1 574 . 1 . 1 170 170 ASP C C 13 177.098 0.05 . . . . . . . 237 ASP C . 27613 1 575 . 1 . 1 170 170 ASP CA C 13 57.425 0.10 . . . . . . . 237 ASP CA . 27613 1 576 . 1 . 1 170 170 ASP CB C 13 41.551 0.11 . . . . . . . 237 ASP CB . 27613 1 577 . 1 . 1 170 170 ASP N N 15 125.281 0.10 . . . . . . . 237 ASP N . 27613 1 578 . 1 . 1 171 171 GLN H H 1 8.607 0.02 . . . . . . . 238 GLN H . 27613 1 579 . 1 . 1 171 171 GLN C C 13 179.386 0.02 . . . . . . . 238 GLN C . 27613 1 580 . 1 . 1 171 171 GLN CA C 13 59.424 0.07 . . . . . . . 238 GLN CA . 27613 1 581 . 1 . 1 171 171 GLN CB C 13 29.110 0.08 . . . . . . . 238 GLN CB . 27613 1 582 . 1 . 1 171 171 GLN N N 15 120.110 0.09 . . . . . . . 238 GLN N . 27613 1 583 . 1 . 1 172 172 ILE H H 1 7.319 0.01 . . . . . . . 239 ILE H . 27613 1 584 . 1 . 1 172 172 ILE C C 13 178.480 0.01 . . . . . . . 239 ILE C . 27613 1 585 . 1 . 1 172 172 ILE CA C 13 62.889 0.06 . . . . . . . 239 ILE CA . 27613 1 586 . 1 . 1 172 172 ILE CB C 13 36.831 0.04 . . . . . . . 239 ILE CB . 27613 1 587 . 1 . 1 172 172 ILE N N 15 121.055 0.07 . . . . . . . 239 ILE N . 27613 1 588 . 1 . 1 173 173 ALA H H 1 6.900 0.01 . . . . . . . 240 ALA H . 27613 1 589 . 1 . 1 173 173 ALA C C 13 178.966 0.05 . . . . . . . 240 ALA C . 27613 1 590 . 1 . 1 173 173 ALA CA C 13 56.272 0.08 . . . . . . . 240 ALA CA . 27613 1 591 . 1 . 1 173 173 ALA CB C 13 19.752 0.10 . . . . . . . 240 ALA CB . 27613 1 592 . 1 . 1 173 173 ALA N N 15 121.522 0.10 . . . . . . . 240 ALA N . 27613 1 593 . 1 . 1 174 174 GLN H H 1 8.033 0.02 . . . . . . . 241 GLN H . 27613 1 594 . 1 . 1 174 174 GLN C C 13 177.749 1.75 . . . . . . . 241 GLN C . 27613 1 595 . 1 . 1 174 174 GLN CA C 13 59.437 0.06 . . . . . . . 241 GLN CA . 27613 1 596 . 1 . 1 174 174 GLN CB C 13 29.136 0.17 . . . . . . . 241 GLN CB . 27613 1 597 . 1 . 1 174 174 GLN N N 15 113.676 0.08 . . . . . . . 241 GLN N . 27613 1 598 . 1 . 1 175 175 SER H H 1 7.566 0.01 . . . . . . . 242 SER H . 27613 1 599 . 1 . 1 175 175 SER C C 13 176.892 2.18 . . . . . . . 242 SER C . 27613 1 600 . 1 . 1 175 175 SER CA C 13 61.852 0.07 . . . . . . . 242 SER CA . 27613 1 601 . 1 . 1 175 175 SER CB C 13 63.865 0.20 . . . . . . . 242 SER CB . 27613 1 602 . 1 . 1 175 175 SER N N 15 115.104 0.09 . . . . . . . 242 SER N . 27613 1 603 . 1 . 1 176 176 LEU H H 1 6.971 0.02 . . . . . . . 243 LEU H . 27613 1 604 . 1 . 1 176 176 LEU C C 13 176.853 0.02 . . . . . . . 243 LEU C . 27613 1 605 . 1 . 1 176 176 LEU CA C 13 55.687 0.09 . . . . . . . 243 LEU CA . 27613 1 606 . 1 . 1 176 176 LEU CB C 13 45.017 0.09 . . . . . . . 243 LEU CB . 27613 1 607 . 1 . 1 176 176 LEU N N 15 120.505 0.06 . . . . . . . 243 LEU N . 27613 1 608 . 1 . 1 177 177 CYS H H 1 6.969 0.02 . . . . . . . 244 CYS H . 27613 1 609 . 1 . 1 177 177 CYS C C 13 175.716 0.01 . . . . . . . 244 CYS C . 27613 1 610 . 1 . 1 177 177 CYS CA C 13 64.306 0.06 . . . . . . . 244 CYS CA . 27613 1 611 . 1 . 1 177 177 CYS CB C 13 27.801 0.09 . . . . . . . 244 CYS CB . 27613 1 612 . 1 . 1 177 177 CYS N N 15 116.400 0.06 . . . . . . . 244 CYS N . 27613 1 613 . 1 . 1 178 178 GLY H H 1 8.993 0.01 . . . . . . . 245 GLY H . 27613 1 614 . 1 . 1 178 178 GLY C C 13 174.038 0.10 . . . . . . . 245 GLY C . 27613 1 615 . 1 . 1 178 178 GLY CA C 13 45.890 0.06 . . . . . . . 245 GLY CA . 27613 1 616 . 1 . 1 178 178 GLY N N 15 114.373 0.04 . . . . . . . 245 GLY N . 27613 1 617 . 1 . 1 179 179 GLU H H 1 7.620 0.02 . . . . . . . 246 GLU H . 27613 1 618 . 1 . 1 179 179 GLU C C 13 175.230 0.00 . . . . . . . 246 GLU C . 27613 1 619 . 1 . 1 179 179 GLU CA C 13 56.778 0.30 . . . . . . . 246 GLU CA . 27613 1 620 . 1 . 1 179 179 GLU CB C 13 30.755 0.53 . . . . . . . 246 GLU CB . 27613 1 621 . 1 . 1 179 179 GLU N N 15 119.629 0.05 . . . . . . . 246 GLU N . 27613 1 622 . 1 . 1 180 180 ASP H H 1 8.180 0.00 . . . . . . . 247 ASP H . 27613 1 623 . 1 . 1 180 180 ASP C C 13 175.816 0.00 . . . . . . . 247 ASP C . 27613 1 624 . 1 . 1 180 180 ASP CA C 13 54.591 0.47 . . . . . . . 247 ASP CA . 27613 1 625 . 1 . 1 180 180 ASP CB C 13 42.993 0.62 . . . . . . . 247 ASP CB . 27613 1 626 . 1 . 1 180 180 ASP N N 15 121.071 0.05 . . . . . . . 247 ASP N . 27613 1 627 . 1 . 1 181 181 LEU H H 1 8.649 0.01 . . . . . . . 248 LEU H . 27613 1 628 . 1 . 1 181 181 LEU C C 13 175.200 1.89 . . . . . . . 248 LEU C . 27613 1 629 . 1 . 1 181 181 LEU CA C 13 53.691 0.08 . . . . . . . 248 LEU CA . 27613 1 630 . 1 . 1 181 181 LEU CB C 13 46.638 0.11 . . . . . . . 248 LEU CB . 27613 1 631 . 1 . 1 181 181 LEU N N 15 123.271 0.05 . . . . . . . 248 LEU N . 27613 1 632 . 1 . 1 182 182 ILE H H 1 8.125 0.01 . . . . . . . 249 ILE H . 27613 1 633 . 1 . 1 182 182 ILE C C 13 175.207 0.06 . . . . . . . 249 ILE C . 27613 1 634 . 1 . 1 182 182 ILE CA C 13 60.334 0.06 . . . . . . . 249 ILE CA . 27613 1 635 . 1 . 1 182 182 ILE CB C 13 38.267 0.10 . . . . . . . 249 ILE CB . 27613 1 636 . 1 . 1 182 182 ILE N N 15 120.674 0.06 . . . . . . . 249 ILE N . 27613 1 637 . 1 . 1 183 183 ILE H H 1 8.740 0.02 . . . . . . . 250 ILE H . 27613 1 638 . 1 . 1 183 183 ILE C C 13 174.057 1.63 . . . . . . . 250 ILE C . 27613 1 639 . 1 . 1 183 183 ILE CA C 13 61.209 0.03 . . . . . . . 250 ILE CA . 27613 1 640 . 1 . 1 183 183 ILE CB C 13 40.022 0.09 . . . . . . . 250 ILE CB . 27613 1 641 . 1 . 1 183 183 ILE N N 15 127.696 0.10 . . . . . . . 250 ILE N . 27613 1 642 . 1 . 1 184 184 LYS H H 1 9.012 0.02 . . . . . . . 251 LYS H . 27613 1 643 . 1 . 1 184 184 LYS C C 13 176.481 0.02 . . . . . . . 251 LYS C . 27613 1 644 . 1 . 1 184 184 LYS CA C 13 57.938 0.06 . . . . . . . 251 LYS CA . 27613 1 645 . 1 . 1 184 184 LYS CB C 13 31.817 0.17 . . . . . . . 251 LYS CB . 27613 1 646 . 1 . 1 184 184 LYS N N 15 126.514 0.08 . . . . . . . 251 LYS N . 27613 1 647 . 1 . 1 185 185 GLY H H 1 7.745 0.01 . . . . . . . 252 GLY H . 27613 1 648 . 1 . 1 185 185 GLY C C 13 173.425 0.08 . . . . . . . 252 GLY C . 27613 1 649 . 1 . 1 185 185 GLY CA C 13 46.120 0.07 . . . . . . . 252 GLY CA . 27613 1 650 . 1 . 1 185 185 GLY N N 15 102.123 0.11 . . . . . . . 252 GLY N . 27613 1 651 . 1 . 1 186 186 ILE H H 1 8.081 0.00 . . . . . . . 253 ILE H . 27613 1 652 . 1 . 1 186 186 ILE C C 13 173.991 0.00 . . . . . . . 253 ILE C . 27613 1 653 . 1 . 1 186 186 ILE CA C 13 58.979 0.08 . . . . . . . 253 ILE CA . 27613 1 654 . 1 . 1 186 186 ILE CB C 13 38.529 0.06 . . . . . . . 253 ILE CB . 27613 1 655 . 1 . 1 186 186 ILE N N 15 124.993 0.05 . . . . . . . 253 ILE N . 27613 1 656 . 1 . 1 187 187 SER H H 1 8.180 0.01 . . . . . . . 254 SER H . 27613 1 657 . 1 . 1 187 187 SER C C 13 175.029 0.49 . . . . . . . 254 SER C . 27613 1 658 . 1 . 1 187 187 SER CA C 13 57.896 0.07 . . . . . . . 254 SER CA . 27613 1 659 . 1 . 1 187 187 SER CB C 13 63.425 0.15 . . . . . . . 254 SER CB . 27613 1 660 . 1 . 1 187 187 SER N N 15 119.575 0.14 . . . . . . . 254 SER N . 27613 1 661 . 1 . 1 188 188 VAL H H 1 9.401 0.02 . . . . . . . 255 VAL H . 27613 1 662 . 1 . 1 188 188 VAL C C 13 174.575 0.30 . . . . . . . 255 VAL C . 27613 1 663 . 1 . 1 188 188 VAL CA C 13 60.504 0.08 . . . . . . . 255 VAL CA . 27613 1 664 . 1 . 1 188 188 VAL CB C 13 33.971 0.07 . . . . . . . 255 VAL CB . 27613 1 665 . 1 . 1 188 188 VAL N N 15 126.438 0.08 . . . . . . . 255 VAL N . 27613 1 666 . 1 . 1 189 189 HIS H H 1 7.989 0.01 . . . . . . . 256 HIS H . 27613 1 667 . 1 . 1 189 189 HIS C C 13 176.454 2.94 . . . . . . . 256 HIS C . 27613 1 668 . 1 . 1 189 189 HIS CA C 13 55.176 0.04 . . . . . . . 256 HIS CA . 27613 1 669 . 1 . 1 189 189 HIS CB C 13 32.698 0.14 . . . . . . . 256 HIS CB . 27613 1 670 . 1 . 1 189 189 HIS N N 15 117.994 0.07 . . . . . . . 256 HIS N . 27613 1 671 . 1 . 1 190 190 ILE H H 1 8.285 0.03 . . . . . . . 257 ILE H . 27613 1 672 . 1 . 1 190 190 ILE C C 13 175.522 0.13 . . . . . . . 257 ILE C . 27613 1 673 . 1 . 1 190 190 ILE CA C 13 59.562 0.05 . . . . . . . 257 ILE CA . 27613 1 674 . 1 . 1 190 190 ILE CB C 13 36.445 0.15 . . . . . . . 257 ILE CB . 27613 1 675 . 1 . 1 190 190 ILE N N 15 130.031 0.11 . . . . . . . 257 ILE N . 27613 1 676 . 1 . 1 191 191 SER H H 1 9.497 0.02 . . . . . . . 258 SER H . 27613 1 677 . 1 . 1 191 191 SER C C 13 173.166 0.01 . . . . . . . 258 SER C . 27613 1 678 . 1 . 1 191 191 SER CA C 13 57.741 0.07 . . . . . . . 258 SER CA . 27613 1 679 . 1 . 1 191 191 SER CB C 13 67.267 0.09 . . . . . . . 258 SER CB . 27613 1 680 . 1 . 1 191 191 SER N N 15 121.349 0.13 . . . . . . . 258 SER N . 27613 1 681 . 1 . 1 192 192 ASN H H 1 8.705 0.01 . . . . . . . 259 ASN H . 27613 1 682 . 1 . 1 192 192 ASN C C 13 175.014 0.05 . . . . . . . 259 ASN C . 27613 1 683 . 1 . 1 192 192 ASN CA C 13 55.315 0.12 . . . . . . . 259 ASN CA . 27613 1 684 . 1 . 1 192 192 ASN CB C 13 39.927 0.09 . . . . . . . 259 ASN CB . 27613 1 685 . 1 . 1 192 192 ASN N N 15 119.380 0.09 . . . . . . . 259 ASN N . 27613 1 686 . 1 . 1 193 193 ALA H H 1 7.925 0.02 . . . . . . . 260 ALA H . 27613 1 687 . 1 . 1 193 193 ALA C C 13 176.634 1.07 . . . . . . . 260 ALA C . 27613 1 688 . 1 . 1 193 193 ALA CA C 13 52.567 0.87 . . . . . . . 260 ALA CA . 27613 1 689 . 1 . 1 193 193 ALA CB C 13 21.454 0.12 . . . . . . . 260 ALA CB . 27613 1 690 . 1 . 1 193 193 ALA N N 15 122.964 0.11 . . . . . . . 260 ALA N . 27613 1 691 . 1 . 1 194 194 GLU H H 1 8.202 0.01 . . . . . . . 261 GLU H . 27613 1 692 . 1 . 1 194 194 GLU CA C 13 54.796 0.00 . . . . . . . 261 GLU CA . 27613 1 693 . 1 . 1 194 194 GLU CB C 13 30.740 0.00 . . . . . . . 261 GLU CB . 27613 1 694 . 1 . 1 194 194 GLU N N 15 122.899 0.12 . . . . . . . 261 GLU N . 27613 1 695 . 1 . 1 195 195 PRO C C 13 175.781 0.17 . . . . . . . 262 PRO C . 27613 1 696 . 1 . 1 195 195 PRO CA C 13 63.299 0.52 . . . . . . . 262 PRO CA . 27613 1 697 . 1 . 1 195 195 PRO CB C 13 34.699 0.30 . . . . . . . 262 PRO CB . 27613 1 698 . 1 . 1 196 196 LYS H H 1 8.241 0.02 . . . . . . . 263 LYS H . 27613 1 699 . 1 . 1 196 196 LYS C C 13 174.927 0.19 . . . . . . . 263 LYS C . 27613 1 700 . 1 . 1 196 196 LYS CA C 13 56.144 0.17 . . . . . . . 263 LYS CA . 27613 1 701 . 1 . 1 196 196 LYS CB C 13 32.170 0.17 . . . . . . . 263 LYS CB . 27613 1 702 . 1 . 1 196 196 LYS N N 15 128.162 0.09 . . . . . . . 263 LYS N . 27613 1 703 . 1 . 1 197 197 HIS H H 1 8.338 0.01 . . . . . . . 264 HIS H . 27613 1 704 . 1 . 1 197 197 HIS C C 13 176.766 0.00 . . . . . . . 264 HIS C . 27613 1 705 . 1 . 1 197 197 HIS CA C 13 55.277 0.01 . . . . . . . 264 HIS CA . 27613 1 706 . 1 . 1 197 197 HIS CB C 13 36.270 0.00 . . . . . . . 264 HIS CB . 27613 1 707 . 1 . 1 197 197 HIS N N 15 123.073 0.08 . . . . . . . 264 HIS N . 27613 1 708 . 1 . 1 200 200 ASN C C 13 175.872 0.00 . . . . . . . 267 ASN C . 27613 1 709 . 1 . 1 200 200 ASN CA C 13 55.345 0.06 . . . . . . . 267 ASN CA . 27613 1 710 . 1 . 1 200 200 ASN CB C 13 42.101 0.07 . . . . . . . 267 ASN CB . 27613 1 711 . 1 . 1 201 201 ARG H H 1 8.058 0.01 . . . . . . . 268 ARG H . 27613 1 712 . 1 . 1 201 201 ARG C C 13 175.363 0.01 . . . . . . . 268 ARG C . 27613 1 713 . 1 . 1 201 201 ARG CA C 13 57.655 1.37 . . . . . . . 268 ARG CA . 27613 1 714 . 1 . 1 201 201 ARG CB C 13 31.052 0.41 . . . . . . . 268 ARG CB . 27613 1 715 . 1 . 1 201 201 ARG N N 15 122.298 0.05 . . . . . . . 268 ARG N . 27613 1 716 . 1 . 1 202 202 GLN H H 1 7.936 0.01 . . . . . . . 269 GLN H . 27613 1 717 . 1 . 1 202 202 GLN CA C 13 58.093 0.13 . . . . . . . 269 GLN CA . 27613 1 718 . 1 . 1 202 202 GLN CB C 13 33.835 0.00 . . . . . . . 269 GLN CB . 27613 1 719 . 1 . 1 202 202 GLN N N 15 127.019 0.06 . . . . . . . 269 GLN N . 27613 1 stop_ save_