data_27135 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27135 _Entry.Title ; Backbone 1H, 15N and 13C assignments of the Sec63 unit of human Brr2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-12 _Entry.Accession_date 2017-06-12 _Entry.Last_release_date 2017-06-12 _Entry.Original_release_date 2017-06-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 Lisa Henning . M. . . 27135 2 Jana Sticht . . . . 27135 3 Christian Freund . . . . 27135 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Freund group, FU Berlin' . 27135 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27135 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 436 27135 '15N chemical shifts' 231 27135 '1H chemical shifts' 231 27135 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-11-03 2017-06-12 update BMRB 'update entry citation' 27135 1 . . 2017-06-14 2017-06-12 original author 'original release' 27135 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4F91 'Structure of Brr2, contains the C-terminal Sec63 unit' 27135 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27135 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkx535 _Citation.PubMed_ID 28838205 _Citation.Full_citation . _Citation.Title ; A new role for FBP21 as regulator of Brr2 helicase activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 45 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 7922 _Citation.Page_last 7937 _Citation.Year 2017 _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 Lisa Henning . M. . . 27135 1 2 Karine Santos . F. . . 27135 1 3 Jana Sticht . . . . 27135 1 4 Stefanie Jehle . . . . 27135 1 5 Chung-Tien Lee . . . . 27135 1 6 Malte Wittwer . . . . 27135 1 7 Henning Urlaub . . . . 27135 1 8 Ulrich Stelzl . . . . 27135 1 9 Markus Wahl . C. . . 27135 1 10 Christian Freund . . . . 27135 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27135 _Assembly.ID 1 _Assembly.Name 'Brr2 C-terminal Sec63 unit' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 Sec63 1 $Brr2_C-terminal_Sec63_unit A . yes native no no . . . 27135 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Brr2_C-terminal_Sec63_unit _Entity.Sf_category entity _Entity.Sf_framecode Brr2_C-terminal_Sec63_unit _Entity.Entry_ID 27135 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Brr2_C-terminal_Sec63_unit _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPEFTKVRGLIEIISN AAEYENIPIRHHEDNLLRQL AQKVPHKLNNPKFNDPHVKT NLLLQAHLSRMQLSAELQSD TEEILSKAIRLIQACVDVLS SNGWLSPALAAMELAQMVTQ AMWSKDSYLKQLPHFTSEHI KRCTDKGVESVFDIMEMEDE ERNALLQLTDSQIADVARFC NRYPNIELSYEVVDKDSIRS GGPVVVLVQLEREEEVTGPV IAPLFPQKREEGWWVVIGDA KSNSLISIKRLTLQQKAKVK LDFVAPATGAHNYTLYFMSD AYMGCDQEYKFSVDVKEAET DSDSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-8 represent a non-native linker that was used for affinity purification; Residues 9-305 represent the C-terminal Sec63 unit of Brr2, including the Helical Bundle, the helix-loop-helix and the immunoglobulin-like domain. ; _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 305 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Sec63 unit' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'pre-mRNA splicing; helicase' 27135 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 27135 1 2 2 PRO . 27135 1 3 3 LEU . 27135 1 4 4 GLY . 27135 1 5 5 SER . 27135 1 6 6 PRO . 27135 1 7 7 GLU . 27135 1 8 8 PHE . 27135 1 9 9 THR . 27135 1 10 10 LYS . 27135 1 11 11 VAL . 27135 1 12 12 ARG . 27135 1 13 13 GLY . 27135 1 14 14 LEU . 27135 1 15 15 ILE . 27135 1 16 16 GLU . 27135 1 17 17 ILE . 27135 1 18 18 ILE . 27135 1 19 19 SER . 27135 1 20 20 ASN . 27135 1 21 21 ALA . 27135 1 22 22 ALA . 27135 1 23 23 GLU . 27135 1 24 24 TYR . 27135 1 25 25 GLU . 27135 1 26 26 ASN . 27135 1 27 27 ILE . 27135 1 28 28 PRO . 27135 1 29 29 ILE . 27135 1 30 30 ARG . 27135 1 31 31 HIS . 27135 1 32 32 HIS . 27135 1 33 33 GLU . 27135 1 34 34 ASP . 27135 1 35 35 ASN . 27135 1 36 36 LEU . 27135 1 37 37 LEU . 27135 1 38 38 ARG . 27135 1 39 39 GLN . 27135 1 40 40 LEU . 27135 1 41 41 ALA . 27135 1 42 42 GLN . 27135 1 43 43 LYS . 27135 1 44 44 VAL . 27135 1 45 45 PRO . 27135 1 46 46 HIS . 27135 1 47 47 LYS . 27135 1 48 48 LEU . 27135 1 49 49 ASN . 27135 1 50 50 ASN . 27135 1 51 51 PRO . 27135 1 52 52 LYS . 27135 1 53 53 PHE . 27135 1 54 54 ASN . 27135 1 55 55 ASP . 27135 1 56 56 PRO . 27135 1 57 57 HIS . 27135 1 58 58 VAL . 27135 1 59 59 LYS . 27135 1 60 60 THR . 27135 1 61 61 ASN . 27135 1 62 62 LEU . 27135 1 63 63 LEU . 27135 1 64 64 LEU . 27135 1 65 65 GLN . 27135 1 66 66 ALA . 27135 1 67 67 HIS . 27135 1 68 68 LEU . 27135 1 69 69 SER . 27135 1 70 70 ARG . 27135 1 71 71 MET . 27135 1 72 72 GLN . 27135 1 73 73 LEU . 27135 1 74 74 SER . 27135 1 75 75 ALA . 27135 1 76 76 GLU . 27135 1 77 77 LEU . 27135 1 78 78 GLN . 27135 1 79 79 SER . 27135 1 80 80 ASP . 27135 1 81 81 THR . 27135 1 82 82 GLU . 27135 1 83 83 GLU . 27135 1 84 84 ILE . 27135 1 85 85 LEU . 27135 1 86 86 SER . 27135 1 87 87 LYS . 27135 1 88 88 ALA . 27135 1 89 89 ILE . 27135 1 90 90 ARG . 27135 1 91 91 LEU . 27135 1 92 92 ILE . 27135 1 93 93 GLN . 27135 1 94 94 ALA . 27135 1 95 95 CYS . 27135 1 96 96 VAL . 27135 1 97 97 ASP . 27135 1 98 98 VAL . 27135 1 99 99 LEU . 27135 1 100 100 SER . 27135 1 101 101 SER . 27135 1 102 102 ASN . 27135 1 103 103 GLY . 27135 1 104 104 TRP . 27135 1 105 105 LEU . 27135 1 106 106 SER . 27135 1 107 107 PRO . 27135 1 108 108 ALA . 27135 1 109 109 LEU . 27135 1 110 110 ALA . 27135 1 111 111 ALA . 27135 1 112 112 MET . 27135 1 113 113 GLU . 27135 1 114 114 LEU . 27135 1 115 115 ALA . 27135 1 116 116 GLN . 27135 1 117 117 MET . 27135 1 118 118 VAL . 27135 1 119 119 THR . 27135 1 120 120 GLN . 27135 1 121 121 ALA . 27135 1 122 122 MET . 27135 1 123 123 TRP . 27135 1 124 124 SER . 27135 1 125 125 LYS . 27135 1 126 126 ASP . 27135 1 127 127 SER . 27135 1 128 128 TYR . 27135 1 129 129 LEU . 27135 1 130 130 LYS . 27135 1 131 131 GLN . 27135 1 132 132 LEU . 27135 1 133 133 PRO . 27135 1 134 134 HIS . 27135 1 135 135 PHE . 27135 1 136 136 THR . 27135 1 137 137 SER . 27135 1 138 138 GLU . 27135 1 139 139 HIS . 27135 1 140 140 ILE . 27135 1 141 141 LYS . 27135 1 142 142 ARG . 27135 1 143 143 CYS . 27135 1 144 144 THR . 27135 1 145 145 ASP . 27135 1 146 146 LYS . 27135 1 147 147 GLY . 27135 1 148 148 VAL . 27135 1 149 149 GLU . 27135 1 150 150 SER . 27135 1 151 151 VAL . 27135 1 152 152 PHE . 27135 1 153 153 ASP . 27135 1 154 154 ILE . 27135 1 155 155 MET . 27135 1 156 156 GLU . 27135 1 157 157 MET . 27135 1 158 158 GLU . 27135 1 159 159 ASP . 27135 1 160 160 GLU . 27135 1 161 161 GLU . 27135 1 162 162 ARG . 27135 1 163 163 ASN . 27135 1 164 164 ALA . 27135 1 165 165 LEU . 27135 1 166 166 LEU . 27135 1 167 167 GLN . 27135 1 168 168 LEU . 27135 1 169 169 THR . 27135 1 170 170 ASP . 27135 1 171 171 SER . 27135 1 172 172 GLN . 27135 1 173 173 ILE . 27135 1 174 174 ALA . 27135 1 175 175 ASP . 27135 1 176 176 VAL . 27135 1 177 177 ALA . 27135 1 178 178 ARG . 27135 1 179 179 PHE . 27135 1 180 180 CYS . 27135 1 181 181 ASN . 27135 1 182 182 ARG . 27135 1 183 183 TYR . 27135 1 184 184 PRO . 27135 1 185 185 ASN . 27135 1 186 186 ILE . 27135 1 187 187 GLU . 27135 1 188 188 LEU . 27135 1 189 189 SER . 27135 1 190 190 TYR . 27135 1 191 191 GLU . 27135 1 192 192 VAL . 27135 1 193 193 VAL . 27135 1 194 194 ASP . 27135 1 195 195 LYS . 27135 1 196 196 ASP . 27135 1 197 197 SER . 27135 1 198 198 ILE . 27135 1 199 199 ARG . 27135 1 200 200 SER . 27135 1 201 201 GLY . 27135 1 202 202 GLY . 27135 1 203 203 PRO . 27135 1 204 204 VAL . 27135 1 205 205 VAL . 27135 1 206 206 VAL . 27135 1 207 207 LEU . 27135 1 208 208 VAL . 27135 1 209 209 GLN . 27135 1 210 210 LEU . 27135 1 211 211 GLU . 27135 1 212 212 ARG . 27135 1 213 213 GLU . 27135 1 214 214 GLU . 27135 1 215 215 GLU . 27135 1 216 216 VAL . 27135 1 217 217 THR . 27135 1 218 218 GLY . 27135 1 219 219 PRO . 27135 1 220 220 VAL . 27135 1 221 221 ILE . 27135 1 222 222 ALA . 27135 1 223 223 PRO . 27135 1 224 224 LEU . 27135 1 225 225 PHE . 27135 1 226 226 PRO . 27135 1 227 227 GLN . 27135 1 228 228 LYS . 27135 1 229 229 ARG . 27135 1 230 230 GLU . 27135 1 231 231 GLU . 27135 1 232 232 GLY . 27135 1 233 233 TRP . 27135 1 234 234 TRP . 27135 1 235 235 VAL . 27135 1 236 236 VAL . 27135 1 237 237 ILE . 27135 1 238 238 GLY . 27135 1 239 239 ASP . 27135 1 240 240 ALA . 27135 1 241 241 LYS . 27135 1 242 242 SER . 27135 1 243 243 ASN . 27135 1 244 244 SER . 27135 1 245 245 LEU . 27135 1 246 246 ILE . 27135 1 247 247 SER . 27135 1 248 248 ILE . 27135 1 249 249 LYS . 27135 1 250 250 ARG . 27135 1 251 251 LEU . 27135 1 252 252 THR . 27135 1 253 253 LEU . 27135 1 254 254 GLN . 27135 1 255 255 GLN . 27135 1 256 256 LYS . 27135 1 257 257 ALA . 27135 1 258 258 LYS . 27135 1 259 259 VAL . 27135 1 260 260 LYS . 27135 1 261 261 LEU . 27135 1 262 262 ASP . 27135 1 263 263 PHE . 27135 1 264 264 VAL . 27135 1 265 265 ALA . 27135 1 266 266 PRO . 27135 1 267 267 ALA . 27135 1 268 268 THR . 27135 1 269 269 GLY . 27135 1 270 270 ALA . 27135 1 271 271 HIS . 27135 1 272 272 ASN . 27135 1 273 273 TYR . 27135 1 274 274 THR . 27135 1 275 275 LEU . 27135 1 276 276 TYR . 27135 1 277 277 PHE . 27135 1 278 278 MET . 27135 1 279 279 SER . 27135 1 280 280 ASP . 27135 1 281 281 ALA . 27135 1 282 282 TYR . 27135 1 283 283 MET . 27135 1 284 284 GLY . 27135 1 285 285 CYS . 27135 1 286 286 ASP . 27135 1 287 287 GLN . 27135 1 288 288 GLU . 27135 1 289 289 TYR . 27135 1 290 290 LYS . 27135 1 291 291 PHE . 27135 1 292 292 SER . 27135 1 293 293 VAL . 27135 1 294 294 ASP . 27135 1 295 295 VAL . 27135 1 296 296 LYS . 27135 1 297 297 GLU . 27135 1 298 298 ALA . 27135 1 299 299 GLU . 27135 1 300 300 THR . 27135 1 301 301 ASP . 27135 1 302 302 SER . 27135 1 303 303 ASP . 27135 1 304 304 SER . 27135 1 305 305 ASP . 27135 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 27135 1 . PRO 2 2 27135 1 . LEU 3 3 27135 1 . GLY 4 4 27135 1 . SER 5 5 27135 1 . PRO 6 6 27135 1 . GLU 7 7 27135 1 . PHE 8 8 27135 1 . THR 9 9 27135 1 . LYS 10 10 27135 1 . VAL 11 11 27135 1 . ARG 12 12 27135 1 . GLY 13 13 27135 1 . LEU 14 14 27135 1 . ILE 15 15 27135 1 . GLU 16 16 27135 1 . ILE 17 17 27135 1 . ILE 18 18 27135 1 . SER 19 19 27135 1 . ASN 20 20 27135 1 . ALA 21 21 27135 1 . ALA 22 22 27135 1 . GLU 23 23 27135 1 . TYR 24 24 27135 1 . GLU 25 25 27135 1 . ASN 26 26 27135 1 . ILE 27 27 27135 1 . PRO 28 28 27135 1 . ILE 29 29 27135 1 . ARG 30 30 27135 1 . HIS 31 31 27135 1 . HIS 32 32 27135 1 . GLU 33 33 27135 1 . ASP 34 34 27135 1 . ASN 35 35 27135 1 . LEU 36 36 27135 1 . LEU 37 37 27135 1 . ARG 38 38 27135 1 . GLN 39 39 27135 1 . LEU 40 40 27135 1 . ALA 41 41 27135 1 . GLN 42 42 27135 1 . LYS 43 43 27135 1 . VAL 44 44 27135 1 . PRO 45 45 27135 1 . HIS 46 46 27135 1 . LYS 47 47 27135 1 . LEU 48 48 27135 1 . ASN 49 49 27135 1 . ASN 50 50 27135 1 . PRO 51 51 27135 1 . LYS 52 52 27135 1 . PHE 53 53 27135 1 . ASN 54 54 27135 1 . ASP 55 55 27135 1 . PRO 56 56 27135 1 . HIS 57 57 27135 1 . VAL 58 58 27135 1 . LYS 59 59 27135 1 . THR 60 60 27135 1 . ASN 61 61 27135 1 . LEU 62 62 27135 1 . LEU 63 63 27135 1 . LEU 64 64 27135 1 . GLN 65 65 27135 1 . ALA 66 66 27135 1 . HIS 67 67 27135 1 . LEU 68 68 27135 1 . SER 69 69 27135 1 . ARG 70 70 27135 1 . MET 71 71 27135 1 . GLN 72 72 27135 1 . LEU 73 73 27135 1 . SER 74 74 27135 1 . ALA 75 75 27135 1 . GLU 76 76 27135 1 . LEU 77 77 27135 1 . GLN 78 78 27135 1 . SER 79 79 27135 1 . ASP 80 80 27135 1 . THR 81 81 27135 1 . GLU 82 82 27135 1 . GLU 83 83 27135 1 . ILE 84 84 27135 1 . LEU 85 85 27135 1 . SER 86 86 27135 1 . LYS 87 87 27135 1 . ALA 88 88 27135 1 . ILE 89 89 27135 1 . ARG 90 90 27135 1 . LEU 91 91 27135 1 . ILE 92 92 27135 1 . GLN 93 93 27135 1 . ALA 94 94 27135 1 . CYS 95 95 27135 1 . VAL 96 96 27135 1 . ASP 97 97 27135 1 . VAL 98 98 27135 1 . LEU 99 99 27135 1 . SER 100 100 27135 1 . SER 101 101 27135 1 . ASN 102 102 27135 1 . GLY 103 103 27135 1 . TRP 104 104 27135 1 . LEU 105 105 27135 1 . SER 106 106 27135 1 . PRO 107 107 27135 1 . ALA 108 108 27135 1 . LEU 109 109 27135 1 . ALA 110 110 27135 1 . ALA 111 111 27135 1 . MET 112 112 27135 1 . GLU 113 113 27135 1 . LEU 114 114 27135 1 . ALA 115 115 27135 1 . GLN 116 116 27135 1 . MET 117 117 27135 1 . VAL 118 118 27135 1 . THR 119 119 27135 1 . GLN 120 120 27135 1 . ALA 121 121 27135 1 . MET 122 122 27135 1 . TRP 123 123 27135 1 . SER 124 124 27135 1 . LYS 125 125 27135 1 . ASP 126 126 27135 1 . SER 127 127 27135 1 . TYR 128 128 27135 1 . LEU 129 129 27135 1 . LYS 130 130 27135 1 . GLN 131 131 27135 1 . LEU 132 132 27135 1 . PRO 133 133 27135 1 . HIS 134 134 27135 1 . PHE 135 135 27135 1 . THR 136 136 27135 1 . SER 137 137 27135 1 . GLU 138 138 27135 1 . HIS 139 139 27135 1 . ILE 140 140 27135 1 . LYS 141 141 27135 1 . ARG 142 142 27135 1 . CYS 143 143 27135 1 . THR 144 144 27135 1 . ASP 145 145 27135 1 . LYS 146 146 27135 1 . GLY 147 147 27135 1 . VAL 148 148 27135 1 . GLU 149 149 27135 1 . SER 150 150 27135 1 . VAL 151 151 27135 1 . PHE 152 152 27135 1 . ASP 153 153 27135 1 . ILE 154 154 27135 1 . MET 155 155 27135 1 . GLU 156 156 27135 1 . MET 157 157 27135 1 . GLU 158 158 27135 1 . ASP 159 159 27135 1 . GLU 160 160 27135 1 . GLU 161 161 27135 1 . ARG 162 162 27135 1 . ASN 163 163 27135 1 . ALA 164 164 27135 1 . LEU 165 165 27135 1 . LEU 166 166 27135 1 . GLN 167 167 27135 1 . LEU 168 168 27135 1 . THR 169 169 27135 1 . ASP 170 170 27135 1 . SER 171 171 27135 1 . GLN 172 172 27135 1 . ILE 173 173 27135 1 . ALA 174 174 27135 1 . ASP 175 175 27135 1 . VAL 176 176 27135 1 . ALA 177 177 27135 1 . ARG 178 178 27135 1 . PHE 179 179 27135 1 . CYS 180 180 27135 1 . ASN 181 181 27135 1 . ARG 182 182 27135 1 . TYR 183 183 27135 1 . PRO 184 184 27135 1 . ASN 185 185 27135 1 . ILE 186 186 27135 1 . GLU 187 187 27135 1 . LEU 188 188 27135 1 . SER 189 189 27135 1 . TYR 190 190 27135 1 . GLU 191 191 27135 1 . VAL 192 192 27135 1 . VAL 193 193 27135 1 . ASP 194 194 27135 1 . LYS 195 195 27135 1 . ASP 196 196 27135 1 . SER 197 197 27135 1 . ILE 198 198 27135 1 . ARG 199 199 27135 1 . SER 200 200 27135 1 . GLY 201 201 27135 1 . GLY 202 202 27135 1 . PRO 203 203 27135 1 . VAL 204 204 27135 1 . VAL 205 205 27135 1 . VAL 206 206 27135 1 . LEU 207 207 27135 1 . VAL 208 208 27135 1 . GLN 209 209 27135 1 . LEU 210 210 27135 1 . GLU 211 211 27135 1 . ARG 212 212 27135 1 . GLU 213 213 27135 1 . GLU 214 214 27135 1 . GLU 215 215 27135 1 . VAL 216 216 27135 1 . THR 217 217 27135 1 . GLY 218 218 27135 1 . PRO 219 219 27135 1 . VAL 220 220 27135 1 . ILE 221 221 27135 1 . ALA 222 222 27135 1 . PRO 223 223 27135 1 . LEU 224 224 27135 1 . PHE 225 225 27135 1 . PRO 226 226 27135 1 . GLN 227 227 27135 1 . LYS 228 228 27135 1 . ARG 229 229 27135 1 . GLU 230 230 27135 1 . GLU 231 231 27135 1 . GLY 232 232 27135 1 . TRP 233 233 27135 1 . TRP 234 234 27135 1 . VAL 235 235 27135 1 . VAL 236 236 27135 1 . ILE 237 237 27135 1 . GLY 238 238 27135 1 . ASP 239 239 27135 1 . ALA 240 240 27135 1 . LYS 241 241 27135 1 . SER 242 242 27135 1 . ASN 243 243 27135 1 . SER 244 244 27135 1 . LEU 245 245 27135 1 . ILE 246 246 27135 1 . SER 247 247 27135 1 . ILE 248 248 27135 1 . LYS 249 249 27135 1 . ARG 250 250 27135 1 . LEU 251 251 27135 1 . THR 252 252 27135 1 . LEU 253 253 27135 1 . GLN 254 254 27135 1 . GLN 255 255 27135 1 . LYS 256 256 27135 1 . ALA 257 257 27135 1 . LYS 258 258 27135 1 . VAL 259 259 27135 1 . LYS 260 260 27135 1 . LEU 261 261 27135 1 . ASP 262 262 27135 1 . PHE 263 263 27135 1 . VAL 264 264 27135 1 . ALA 265 265 27135 1 . PRO 266 266 27135 1 . ALA 267 267 27135 1 . THR 268 268 27135 1 . GLY 269 269 27135 1 . ALA 270 270 27135 1 . HIS 271 271 27135 1 . ASN 272 272 27135 1 . TYR 273 273 27135 1 . THR 274 274 27135 1 . LEU 275 275 27135 1 . TYR 276 276 27135 1 . PHE 277 277 27135 1 . MET 278 278 27135 1 . SER 279 279 27135 1 . ASP 280 280 27135 1 . ALA 281 281 27135 1 . TYR 282 282 27135 1 . MET 283 283 27135 1 . GLY 284 284 27135 1 . CYS 285 285 27135 1 . ASP 286 286 27135 1 . GLN 287 287 27135 1 . GLU 288 288 27135 1 . TYR 289 289 27135 1 . LYS 290 290 27135 1 . PHE 291 291 27135 1 . SER 292 292 27135 1 . VAL 293 293 27135 1 . ASP 294 294 27135 1 . VAL 295 295 27135 1 . LYS 296 296 27135 1 . GLU 297 297 27135 1 . ALA 298 298 27135 1 . GLU 299 299 27135 1 . THR 300 300 27135 1 . ASP 301 301 27135 1 . SER 302 302 27135 1 . ASP 303 303 27135 1 . SER 304 304 27135 1 . ASP 305 305 27135 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 27135 _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 $Brr2_C-terminal_Sec63_unit . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27135 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 27135 _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 $Brr2_C-terminal_Sec63_unit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pGex6p . . . 27135 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_Val _Sample.Sf_category sample _Sample.Sf_framecode sample_Val _Sample.Entry_ID 27135 _Sample.ID 4 _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 'Brr2 C-terminal Sec63 unit' [U-15N]-Val . . 1 $Brr2_C-terminal_Sec63_unit . . 130 . . uM . . . . 27135 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 4 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 4 stop_ save_ save_sample_Ile _Sample.Sf_category sample _Sample.Sf_framecode sample_Ile _Sample.Entry_ID 27135 _Sample.ID 5 _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 'Brr2 C-terminal Sec63 unit' [U-15N]-Ile . . 1 $Brr2_C-terminal_Sec63_unit . . 100 . . uM . . . . 27135 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 5 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 5 stop_ save_ save_sample_Trp-Phe _Sample.Sf_category sample _Sample.Sf_framecode sample_Trp-Phe _Sample.Entry_ID 27135 _Sample.ID 6 _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 'Brr2 C-terminal Sec63 unit' '[U-15N]-Trp, [U-15N]-Phe' . . 1 $Brr2_C-terminal_Sec63_unit . . 130 . . uM . . . . 27135 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 6 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 6 stop_ save_ save_sample_Tyr-Phe _Sample.Sf_category sample _Sample.Sf_framecode sample_Tyr-Phe _Sample.Entry_ID 27135 _Sample.ID 7 _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 'Brr2 C-terminal Sec63 unit' '[U-15N]-Tyr, [U-15N]-Phe' . . 1 $Brr2_C-terminal_Sec63_unit . . 530 . . uM . . . . 27135 7 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 7 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 7 stop_ save_ save_sample_Gly _Sample.Sf_category sample _Sample.Sf_framecode sample_Gly _Sample.Entry_ID 27135 _Sample.ID 8 _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 'Brr2 C-terminal Sec63 unit' [U-15N]-Gly . . 1 $Brr2_C-terminal_Sec63_unit . . 100 . . uM . . . . 27135 8 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 8 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 8 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27135 _Sample.ID 1 _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 'Brr2 C-terminal Sec63 unit' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Brr2_C-terminal_Sec63_unit . . 0.2-0.7 . . mM . . . . 27135 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 1 stop_ save_ save_sample_Leu _Sample.Sf_category sample _Sample.Sf_framecode sample_Leu _Sample.Entry_ID 27135 _Sample.ID 2 _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 'Brr2 C-terminal Sec63 unit' [U-15N]-Leu . . 1 $Brr2_C-terminal_Sec63_unit . . 480 . . uM . . . . 27135 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 2 stop_ save_ save_sample_Ala _Sample.Sf_category sample _Sample.Sf_framecode sample_Ala _Sample.Entry_ID 27135 _Sample.ID 3 _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 'Brr2 C-terminal Sec63 unit' [U-15N]-Ala . . 1 $Brr2_C-terminal_Sec63_unit . . 140 . . uM . . . . 27135 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27135 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27135 3 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 27135 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27135 1 pH 7.0 . pH 27135 1 pressure 1 . atm 27135 1 temperature 300 . K 27135 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27135 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27135 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27135 1 processing 27135 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27135 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27135 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27135 2 'data analysis' 27135 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 27135 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27135 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27135 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 27135 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_Leu isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_Ala isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_Val isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_Ile isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_Trp-Phe isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_Tyr-Phe isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $sample_Gly isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27135 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 27135 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 27135 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 27135 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 27135 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 27135 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 27135 1 2 '3D HNCA' . . . 27135 1 3 '3D HN(CO)CA' . . . 27135 1 4 '3D HNCO' . . . 27135 1 5 '2D 1H-15N HSQC' . . . 27135 1 6 '2D 1H-15N HSQC' . . . 27135 1 7 '2D 1H-15N HSQC' . . . 27135 1 8 '2D 1H-15N HSQC' . . . 27135 1 9 '2D 1H-15N HSQC' . . . 27135 1 10 '2D 1H-15N HSQC' . . . 27135 1 11 '2D 1H-15N HSQC' . . . 27135 1 12 '3D 1H-15N NOESY' . . . 27135 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 2 2 PRO C C 13 177.145 0.016 . 1 . . . . . 2 Pro C . 27135 1 2 . 1 1 3 3 LEU H H 1 8.507 0.002 . 1 . . . . . 3 Leu H . 27135 1 3 . 1 1 3 3 LEU C C 13 177.869 0.000 . 1 . . . . . 3 Leu C . 27135 1 4 . 1 1 3 3 LEU CA C 13 55.084 0.000 . 1 . . . . . 3 Leu CA . 27135 1 5 . 1 1 3 3 LEU N N 15 122.266 0.054 . 1 . . . . . 3 Leu N . 27135 1 6 . 1 1 4 4 GLY H H 1 8.341 0.004 . 1 . . . . . 4 Gly H . 27135 1 7 . 1 1 4 4 GLY C C 13 171.786 0.000 . 1 . . . . . 4 Gly C . 27135 1 8 . 1 1 4 4 GLY CA C 13 44.733 0.000 . 1 . . . . . 4 Gly CA . 27135 1 9 . 1 1 4 4 GLY N N 15 109.694 0.120 . 1 . . . . . 4 Gly N . 27135 1 10 . 1 1 13 13 GLY H H 1 7.694 0.013 . 1 . . . . . 13 Gly H . 27135 1 11 . 1 1 13 13 GLY N N 15 106.801 0.119 . 1 . . . . . 13 Gly N . 27135 1 12 . 1 1 14 14 LEU H H 1 7.947 0.006 . 1 . . . . . 14 Leu H . 27135 1 13 . 1 1 14 14 LEU C C 13 178.708 0.000 . 1 . . . . . 14 Leu C . 27135 1 14 . 1 1 14 14 LEU N N 15 123.134 0.061 . 1 . . . . . 14 Leu N . 27135 1 15 . 1 1 15 15 ILE H H 1 8.373 0.008 . 1 . . . . . 15 Ile H . 27135 1 16 . 1 1 15 15 ILE C C 13 178.161 0.000 . 1 . . . . . 15 Ile C . 27135 1 17 . 1 1 15 15 ILE CA C 13 65.933 0.000 . 1 . . . . . 15 Ile CA . 27135 1 18 . 1 1 15 15 ILE N N 15 118.869 0.035 . 1 . . . . . 15 Ile N . 27135 1 19 . 1 1 19 19 SER H H 1 8.470 0.019 . 1 . . . . . 19 Ser H . 27135 1 20 . 1 1 19 19 SER CA C 13 61.989 0.000 . 1 . . . . . 19 Ser CA . 27135 1 21 . 1 1 19 19 SER N N 15 113.862 0.135 . 1 . . . . . 19 Ser N . 27135 1 22 . 1 1 20 20 ASN H H 1 7.931 0.005 . 1 . . . . . 20 Asn H . 27135 1 23 . 1 1 20 20 ASN C C 13 174.288 0.043 . 1 . . . . . 20 Asn C . 27135 1 24 . 1 1 20 20 ASN CA C 13 53.355 0.052 . 1 . . . . . 20 Asn CA . 27135 1 25 . 1 1 20 20 ASN N N 15 119.479 0.033 . 1 . . . . . 20 Asn N . 27135 1 26 . 1 1 21 21 ALA H H 1 7.967 0.015 . 1 . . . . . 21 Ala H . 27135 1 27 . 1 1 21 21 ALA C C 13 179.338 0.041 . 1 . . . . . 21 Ala C . 27135 1 28 . 1 1 21 21 ALA CA C 13 53.342 0.000 . 1 . . . . . 21 Ala CA . 27135 1 29 . 1 1 21 21 ALA N N 15 125.250 0.099 . 1 . . . . . 21 Ala N . 27135 1 30 . 1 1 22 22 ALA H H 1 8.945 0.009 . 1 . . . . . 22 Ala H . 27135 1 31 . 1 1 22 22 ALA C C 13 180.413 0.005 . 1 . . . . . 22 Ala C . 27135 1 32 . 1 1 22 22 ALA CA C 13 54.760 0.014 . 1 . . . . . 22 Ala CA . 27135 1 33 . 1 1 22 22 ALA N N 15 126.966 0.056 . 1 . . . . . 22 Ala N . 27135 1 34 . 1 1 23 23 GLU H H 1 9.313 0.006 . 1 . . . . . 23 Glu H . 27135 1 35 . 1 1 23 23 GLU C C 13 177.582 0.130 . 1 . . . . . 23 Glu C . 27135 1 36 . 1 1 23 23 GLU CA C 13 59.107 0.009 . 1 . . . . . 23 Glu CA . 27135 1 37 . 1 1 23 23 GLU N N 15 117.709 0.049 . 1 . . . . . 23 Glu N . 27135 1 38 . 1 1 24 24 TYR H H 1 7.866 0.003 . 1 . . . . . 24 Tyr H . 27135 1 39 . 1 1 24 24 TYR C C 13 175.557 0.030 . 1 . . . . . 24 Tyr C . 27135 1 40 . 1 1 24 24 TYR CA C 13 56.184 0.031 . 1 . . . . . 24 Tyr CA . 27135 1 41 . 1 1 24 24 TYR N N 15 117.250 0.054 . 1 . . . . . 24 Tyr N . 27135 1 42 . 1 1 25 25 GLU H H 1 7.955 0.014 . 1 . . . . . 25 Glu H . 27135 1 43 . 1 1 25 25 GLU C C 13 175.782 0.012 . 1 . . . . . 25 Glu C . 27135 1 44 . 1 1 25 25 GLU CA C 13 58.020 0.022 . 1 . . . . . 25 Glu CA . 27135 1 45 . 1 1 25 25 GLU N N 15 118.397 0.113 . 1 . . . . . 25 Glu N . 27135 1 46 . 1 1 26 26 ASN H H 1 7.774 0.017 . 1 . . . . . 26 Asn H . 27135 1 47 . 1 1 26 26 ASN C C 13 175.748 0.068 . 1 . . . . . 26 Asn C . 27135 1 48 . 1 1 26 26 ASN CA C 13 52.036 0.000 . 1 . . . . . 26 Asn CA . 27135 1 49 . 1 1 26 26 ASN N N 15 111.869 0.127 . 1 . . . . . 26 Asn N . 27135 1 50 . 1 1 27 27 ILE H H 1 6.982 0.012 . 1 . . . . . 27 Ile H . 27135 1 51 . 1 1 27 27 ILE C C 13 173.831 0.000 . 1 . . . . . 27 Ile C . 27135 1 52 . 1 1 27 27 ILE CA C 13 56.717 0.000 . 1 . . . . . 27 Ile CA . 27135 1 53 . 1 1 27 27 ILE N N 15 124.563 0.043 . 1 . . . . . 27 Ile N . 27135 1 54 . 1 1 35 35 ASN C C 13 177.724 0.002 . 1 . . . . . 35 Asn C . 27135 1 55 . 1 1 36 36 LEU H H 1 7.523 0.018 . 1 . . . . . 36 Leu H . 27135 1 56 . 1 1 36 36 LEU C C 13 180.598 0.037 . 1 . . . . . 36 Leu C . 27135 1 57 . 1 1 36 36 LEU CA C 13 57.314 0.021 . 1 . . . . . 36 Leu CA . 27135 1 58 . 1 1 36 36 LEU N N 15 120.957 0.212 . 1 . . . . . 36 Leu N . 27135 1 59 . 1 1 37 37 LEU H H 1 8.511 0.006 . 1 . . . . . 37 Leu H . 27135 1 60 . 1 1 37 37 LEU C C 13 178.318 0.042 . 1 . . . . . 37 Leu C . 27135 1 61 . 1 1 37 37 LEU N N 15 119.941 0.067 . 1 . . . . . 37 Leu N . 27135 1 62 . 1 1 38 38 ARG H H 1 7.889 0.012 . 1 . . . . . 38 Arg H . 27135 1 63 . 1 1 38 38 ARG C C 13 179.674 0.007 . 1 . . . . . 38 Arg C . 27135 1 64 . 1 1 38 38 ARG CA C 13 59.112 0.000 . 1 . . . . . 38 Arg CA . 27135 1 65 . 1 1 38 38 ARG N N 15 119.631 0.060 . 1 . . . . . 38 Arg N . 27135 1 66 . 1 1 39 39 GLN H H 1 7.606 0.015 . 1 . . . . . 39 Gln H . 27135 1 67 . 1 1 39 39 GLN C C 13 179.593 0.074 . 1 . . . . . 39 Gln C . 27135 1 68 . 1 1 39 39 GLN CA C 13 58.267 0.000 . 1 . . . . . 39 Gln CA . 27135 1 69 . 1 1 39 39 GLN N N 15 117.886 0.031 . 1 . . . . . 39 Gln N . 27135 1 70 . 1 1 40 40 LEU C C 13 179.305 0.023 . 1 . . . . . 40 Leu C . 27135 1 71 . 1 1 41 41 ALA H H 1 8.601 0.004 . 1 . . . . . 41 Ala H . 27135 1 72 . 1 1 41 41 ALA C C 13 178.878 0.015 . 1 . . . . . 41 Ala C . 27135 1 73 . 1 1 41 41 ALA CA C 13 54.171 0.050 . 1 . . . . . 41 Ala CA . 27135 1 74 . 1 1 41 41 ALA N N 15 119.533 0.035 . 1 . . . . . 41 Ala N . 27135 1 75 . 1 1 42 42 GLN H H 1 7.283 0.009 . 1 . . . . . 42 Gln H . 27135 1 76 . 1 1 42 42 GLN C C 13 177.030 0.000 . 1 . . . . . 42 Gln C . 27135 1 77 . 1 1 42 42 GLN CA C 13 56.126 0.000 . 1 . . . . . 42 Gln CA . 27135 1 78 . 1 1 42 42 GLN N N 15 112.606 0.135 . 1 . . . . . 42 Gln N . 27135 1 79 . 1 1 45 45 PRO C C 13 177.540 0.001 . 1 . . . . . 45 Pro C . 27135 1 80 . 1 1 46 46 HIS H H 1 8.710 0.003 . 1 . . . . . 46 His H . 27135 1 81 . 1 1 46 46 HIS C C 13 175.062 0.052 . 1 . . . . . 46 His C . 27135 1 82 . 1 1 46 46 HIS CA C 13 53.856 0.054 . 1 . . . . . 46 His CA . 27135 1 83 . 1 1 46 46 HIS N N 15 117.095 0.072 . 1 . . . . . 46 His N . 27135 1 84 . 1 1 47 47 LYS H H 1 8.406 0.003 . 1 . . . . . 47 Lys H . 27135 1 85 . 1 1 47 47 LYS C C 13 177.287 0.014 . 1 . . . . . 47 Lys C . 27135 1 86 . 1 1 47 47 LYS CA C 13 55.804 0.017 . 1 . . . . . 47 Lys CA . 27135 1 87 . 1 1 47 47 LYS N N 15 123.836 0.078 . 1 . . . . . 47 Lys N . 27135 1 88 . 1 1 48 48 LEU H H 1 8.820 0.003 . 1 . . . . . 48 Leu H . 27135 1 89 . 1 1 48 48 LEU C C 13 176.750 0.000 . 1 . . . . . 48 Leu C . 27135 1 90 . 1 1 48 48 LEU CA C 13 54.022 0.000 . 1 . . . . . 48 Leu CA . 27135 1 91 . 1 1 48 48 LEU N N 15 125.079 0.037 . 1 . . . . . 48 Leu N . 27135 1 92 . 1 1 51 51 PRO C C 13 175.975 0.020 . 1 . . . . . 51 Pro C . 27135 1 93 . 1 1 52 52 LYS H H 1 7.534 0.005 . 1 . . . . . 52 Lys H . 27135 1 94 . 1 1 52 52 LYS C C 13 176.300 0.004 . 1 . . . . . 52 Lys C . 27135 1 95 . 1 1 52 52 LYS CA C 13 54.389 0.019 . 1 . . . . . 52 Lys CA . 27135 1 96 . 1 1 52 52 LYS N N 15 121.117 0.029 . 1 . . . . . 52 Lys N . 27135 1 97 . 1 1 53 53 PHE H H 1 8.330 0.003 . 1 . . . . . 53 Phe H . 27135 1 98 . 1 1 53 53 PHE C C 13 174.072 0.004 . 1 . . . . . 53 Phe C . 27135 1 99 . 1 1 53 53 PHE CA C 13 60.721 0.001 . 1 . . . . . 53 Phe CA . 27135 1 100 . 1 1 53 53 PHE N N 15 120.490 0.022 . 1 . . . . . 53 Phe N . 27135 1 101 . 1 1 54 54 ASN H H 1 7.961 0.014 . 1 . . . . . 54 Asn H . 27135 1 102 . 1 1 54 54 ASN C C 13 173.333 0.030 . 1 . . . . . 54 Asn C . 27135 1 103 . 1 1 54 54 ASN CA C 13 51.462 0.002 . 1 . . . . . 54 Asn CA . 27135 1 104 . 1 1 54 54 ASN N N 15 114.080 0.137 . 1 . . . . . 54 Asn N . 27135 1 105 . 1 1 55 55 ASP H H 1 7.378 0.006 . 1 . . . . . 55 Asp H . 27135 1 106 . 1 1 55 55 ASP C C 13 175.666 0.000 . 1 . . . . . 55 Asp C . 27135 1 107 . 1 1 55 55 ASP CA C 13 50.213 0.000 . 1 . . . . . 55 Asp CA . 27135 1 108 . 1 1 55 55 ASP N N 15 120.985 0.046 . 1 . . . . . 55 Asp N . 27135 1 109 . 1 1 56 56 PRO CA C 13 64.585 0.000 . 1 . . . . . 56 Pro CA . 27135 1 110 . 1 1 57 57 HIS H H 1 8.952 0.005 . 1 . . . . . 57 His H . 27135 1 111 . 1 1 57 57 HIS C C 13 177.652 0.003 . 1 . . . . . 57 His C . 27135 1 112 . 1 1 57 57 HIS CA C 13 58.525 0.000 . 1 . . . . . 57 His CA . 27135 1 113 . 1 1 57 57 HIS N N 15 120.820 0.127 . 1 . . . . . 57 His N . 27135 1 114 . 1 1 58 58 VAL H H 1 7.618 0.015 . 1 . . . . . 58 Val H . 27135 1 115 . 1 1 58 58 VAL C C 13 177.641 0.050 . 1 . . . . . 58 Val C . 27135 1 116 . 1 1 58 58 VAL CA C 13 65.690 0.000 . 1 . . . . . 58 Val CA . 27135 1 117 . 1 1 58 58 VAL N N 15 123.968 0.093 . 1 . . . . . 58 Val N . 27135 1 118 . 1 1 59 59 LYS H H 1 7.850 0.004 . 1 . . . . . 59 Lys H . 27135 1 119 . 1 1 59 59 LYS C C 13 177.122 0.000 . 1 . . . . . 59 Lys C . 27135 1 120 . 1 1 59 59 LYS CA C 13 60.330 0.000 . 1 . . . . . 59 Lys CA . 27135 1 121 . 1 1 59 59 LYS N N 15 118.430 0.081 . 1 . . . . . 59 Lys N . 27135 1 122 . 1 1 64 64 LEU C C 13 179.262 0.000 . 1 . . . . . 64 Leu C . 27135 1 123 . 1 1 65 65 GLN H H 1 8.698 0.005 . 1 . . . . . 65 Gln H . 27135 1 124 . 1 1 65 65 GLN C C 13 179.312 0.003 . 1 . . . . . 65 Gln C . 27135 1 125 . 1 1 65 65 GLN CA C 13 61.412 0.000 . 1 . . . . . 65 Gln CA . 27135 1 126 . 1 1 65 65 GLN N N 15 116.572 0.099 . 1 . . . . . 65 Gln N . 27135 1 127 . 1 1 66 66 ALA H H 1 9.193 0.020 . 1 . . . . . 66 Ala H . 27135 1 128 . 1 1 66 66 ALA C C 13 179.167 0.012 . 1 . . . . . 66 Ala C . 27135 1 129 . 1 1 66 66 ALA CA C 13 55.079 0.000 . 1 . . . . . 66 Ala CA . 27135 1 130 . 1 1 66 66 ALA N N 15 122.693 0.072 . 1 . . . . . 66 Ala N . 27135 1 131 . 1 1 67 67 HIS H H 1 8.129 0.003 . 1 . . . . . 67 His H . 27135 1 132 . 1 1 67 67 HIS C C 13 179.129 0.098 . 1 . . . . . 67 His C . 27135 1 133 . 1 1 67 67 HIS CA C 13 58.989 0.000 . 1 . . . . . 67 His CA . 27135 1 134 . 1 1 67 67 HIS N N 15 119.461 0.079 . 1 . . . . . 67 His N . 27135 1 135 . 1 1 68 68 LEU H H 1 7.756 0.005 . 1 . . . . . 68 Leu H . 27135 1 136 . 1 1 68 68 LEU C C 13 176.615 0.075 . 1 . . . . . 68 Leu C . 27135 1 137 . 1 1 68 68 LEU CA C 13 57.186 0.000 . 1 . . . . . 68 Leu CA . 27135 1 138 . 1 1 68 68 LEU N N 15 119.329 0.063 . 1 . . . . . 68 Leu N . 27135 1 139 . 1 1 69 69 SER H H 1 7.614 0.015 . 1 . . . . . 69 Ser H . 27135 1 140 . 1 1 69 69 SER C C 13 172.853 0.000 . 1 . . . . . 69 Ser C . 27135 1 141 . 1 1 69 69 SER CA C 13 59.088 0.000 . 1 . . . . . 69 Ser CA . 27135 1 142 . 1 1 69 69 SER N N 15 108.998 0.164 . 1 . . . . . 69 Ser N . 27135 1 143 . 1 1 70 70 ARG H H 1 8.078 0.006 . 1 . . . . . 70 Arg H . 27135 1 144 . 1 1 70 70 ARG C C 13 176.091 0.020 . 1 . . . . . 70 Arg C . 27135 1 145 . 1 1 70 70 ARG CA C 13 56.773 0.000 . 1 . . . . . 70 Arg CA . 27135 1 146 . 1 1 70 70 ARG N N 15 119.289 0.032 . 1 . . . . . 70 Arg N . 27135 1 147 . 1 1 71 71 MET H H 1 8.263 0.017 . 1 . . . . . 71 Met H . 27135 1 148 . 1 1 71 71 MET C C 13 175.495 0.000 . 1 . . . . . 71 Met C . 27135 1 149 . 1 1 71 71 MET CA C 13 55.763 0.000 . 1 . . . . . 71 Met CA . 27135 1 150 . 1 1 71 71 MET N N 15 117.680 0.181 . 1 . . . . . 71 Met N . 27135 1 151 . 1 1 72 72 GLN H H 1 8.538 0.004 . 1 . . . . . 72 Gln H . 27135 1 152 . 1 1 72 72 GLN C C 13 175.706 0.024 . 1 . . . . . 72 Gln C . 27135 1 153 . 1 1 72 72 GLN CA C 13 55.628 0.000 . 1 . . . . . 72 Gln CA . 27135 1 154 . 1 1 72 72 GLN N N 15 122.817 0.031 . 1 . . . . . 72 Gln N . 27135 1 155 . 1 1 73 73 LEU H H 1 8.788 0.004 . 1 . . . . . 73 Leu H . 27135 1 156 . 1 1 73 73 LEU C C 13 176.888 0.027 . 1 . . . . . 73 Leu C . 27135 1 157 . 1 1 73 73 LEU CA C 13 52.816 0.009 . 1 . . . . . 73 Leu CA . 27135 1 158 . 1 1 73 73 LEU N N 15 126.604 0.093 . 1 . . . . . 73 Leu N . 27135 1 159 . 1 1 74 74 SER H H 1 7.459 0.002 . 1 . . . . . 74 Ser H . 27135 1 160 . 1 1 74 74 SER C C 13 174.278 0.022 . 1 . . . . . 74 Ser C . 27135 1 161 . 1 1 74 74 SER CA C 13 57.166 0.004 . 1 . . . . . 74 Ser CA . 27135 1 162 . 1 1 74 74 SER CB C 13 63.861 0.000 . 1 . . . . . 74 Ser CB . 27135 1 163 . 1 1 74 74 SER N N 15 114.564 0.051 . 1 . . . . . 74 Ser N . 27135 1 164 . 1 1 75 75 ALA H H 1 8.882 0.024 . 1 . . . . . 75 Ala H . 27135 1 165 . 1 1 75 75 ALA C C 13 181.102 0.031 . 1 . . . . . 75 Ala C . 27135 1 166 . 1 1 75 75 ALA CA C 13 55.536 0.008 . 1 . . . . . 75 Ala CA . 27135 1 167 . 1 1 75 75 ALA N N 15 123.461 0.188 . 1 . . . . . 75 Ala N . 27135 1 168 . 1 1 76 76 GLU H H 1 8.898 0.004 . 1 . . . . . 76 Glu H . 27135 1 169 . 1 1 76 76 GLU C C 13 178.594 0.012 . 1 . . . . . 76 Glu C . 27135 1 170 . 1 1 76 76 GLU CA C 13 59.776 0.005 . 1 . . . . . 76 Glu CA . 27135 1 171 . 1 1 76 76 GLU N N 15 118.044 0.073 . 1 . . . . . 76 Glu N . 27135 1 172 . 1 1 77 77 LEU H H 1 7.446 0.010 . 1 . . . . . 77 Leu H . 27135 1 173 . 1 1 77 77 LEU C C 13 181.365 0.041 . 1 . . . . . 77 Leu C . 27135 1 174 . 1 1 77 77 LEU CA C 13 56.741 0.090 . 1 . . . . . 77 Leu CA . 27135 1 175 . 1 1 77 77 LEU N N 15 118.327 0.064 . 1 . . . . . 77 Leu N . 27135 1 176 . 1 1 78 78 GLN H H 1 9.030 0.004 . 1 . . . . . 78 Gln H . 27135 1 177 . 1 1 78 78 GLN C C 13 178.784 0.037 . 1 . . . . . 78 Gln C . 27135 1 178 . 1 1 78 78 GLN CA C 13 58.847 0.012 . 1 . . . . . 78 Gln CA . 27135 1 179 . 1 1 78 78 GLN N N 15 124.729 0.071 . 1 . . . . . 78 Gln N . 27135 1 180 . 1 1 79 79 SER H H 1 8.017 0.007 . 1 . . . . . 79 Ser H . 27135 1 181 . 1 1 79 79 SER CA C 13 61.630 0.000 . 1 . . . . . 79 Ser CA . 27135 1 182 . 1 1 79 79 SER N N 15 117.074 0.124 . 1 . . . . . 79 Ser N . 27135 1 183 . 1 1 82 82 GLU C C 13 179.162 0.032 . 1 . . . . . 82 Glu C . 27135 1 184 . 1 1 83 83 GLU H H 1 7.686 0.005 . 1 . . . . . 83 Glu H . 27135 1 185 . 1 1 83 83 GLU C C 13 180.282 0.021 . 1 . . . . . 83 Glu C . 27135 1 186 . 1 1 83 83 GLU CA C 13 58.967 0.000 . 1 . . . . . 83 Glu CA . 27135 1 187 . 1 1 83 83 GLU N N 15 120.998 0.041 . 1 . . . . . 83 Glu N . 27135 1 188 . 1 1 84 84 ILE H H 1 8.481 0.008 . 1 . . . . . 84 Ile H . 27135 1 189 . 1 1 84 84 ILE C C 13 180.958 0.069 . 1 . . . . . 84 Ile C . 27135 1 190 . 1 1 84 84 ILE CA C 13 64.392 0.000 . 1 . . . . . 84 Ile CA . 27135 1 191 . 1 1 84 84 ILE N N 15 121.460 0.095 . 1 . . . . . 84 Ile N . 27135 1 192 . 1 1 85 85 LEU H H 1 9.117 0.011 . 1 . . . . . 85 Leu H . 27135 1 193 . 1 1 85 85 LEU C C 13 178.334 0.000 . 1 . . . . . 85 Leu C . 27135 1 194 . 1 1 85 85 LEU CA C 13 57.105 0.000 . 1 . . . . . 85 Leu CA . 27135 1 195 . 1 1 85 85 LEU N N 15 121.437 0.082 . 1 . . . . . 85 Leu N . 27135 1 196 . 1 1 86 86 SER H H 1 7.925 0.010 . 1 . . . . . 86 Ser H . 27135 1 197 . 1 1 86 86 SER CA C 13 61.410 0.000 . 1 . . . . . 86 Ser CA . 27135 1 198 . 1 1 86 86 SER N N 15 113.969 0.069 . 1 . . . . . 86 Ser N . 27135 1 199 . 1 1 99 99 LEU H H 1 8.835 0.003 . 1 . . . . . 99 Leu H . 27135 1 200 . 1 1 99 99 LEU C C 13 179.834 0.000 . 1 . . . . . 99 Leu C . 27135 1 201 . 1 1 99 99 LEU CA C 13 58.027 0.000 . 1 . . . . . 99 Leu CA . 27135 1 202 . 1 1 99 99 LEU N N 15 120.903 0.077 . 1 . . . . . 99 Leu N . 27135 1 203 . 1 1 100 100 SER H H 1 8.880 0.003 . 1 . . . . . 100 Ser H . 27135 1 204 . 1 1 100 100 SER CA C 13 61.670 0.000 . 1 . . . . . 100 Ser CA . 27135 1 205 . 1 1 100 100 SER N N 15 113.658 0.064 . 1 . . . . . 100 Ser N . 27135 1 206 . 1 1 103 103 GLY H H 1 7.731 0.007 . 1 . . . . . 103 Gly H . 27135 1 207 . 1 1 103 103 GLY C C 13 175.370 0.048 . 1 . . . . . 103 Gly C . 27135 1 208 . 1 1 103 103 GLY CA C 13 45.480 0.000 . 1 . . . . . 103 Gly CA . 27135 1 209 . 1 1 103 103 GLY N N 15 106.316 0.146 . 1 . . . . . 103 Gly N . 27135 1 210 . 1 1 104 104 TRP H H 1 7.561 0.004 . 1 . . . . . 104 Trp H . 27135 1 211 . 1 1 104 104 TRP HE1 H 1 10.280 0.005 . 1 . . . . . 104 Trp HE1 . 27135 1 212 . 1 1 104 104 TRP C C 13 174.582 0.019 . 1 . . . . . 104 Trp C . 27135 1 213 . 1 1 104 104 TRP CA C 13 54.475 0.016 . 1 . . . . . 104 Trp CA . 27135 1 214 . 1 1 104 104 TRP N N 15 124.101 0.035 . 1 . . . . . 104 Trp N . 27135 1 215 . 1 1 104 104 TRP NE1 N 15 129.947 0.045 . 1 . . . . . 104 Trp NE1 . 27135 1 216 . 1 1 105 105 LEU H H 1 7.487 0.007 . 1 . . . . . 105 Leu H . 27135 1 217 . 1 1 105 105 LEU C C 13 176.599 0.040 . 1 . . . . . 105 Leu C . 27135 1 218 . 1 1 105 105 LEU CA C 13 58.528 0.028 . 1 . . . . . 105 Leu CA . 27135 1 219 . 1 1 105 105 LEU N N 15 125.458 0.058 . 1 . . . . . 105 Leu N . 27135 1 220 . 1 1 106 106 SER H H 1 9.454 0.005 . 1 . . . . . 106 Ser H . 27135 1 221 . 1 1 106 106 SER C C 13 176.005 0.000 . 1 . . . . . 106 Ser C . 27135 1 222 . 1 1 106 106 SER CA C 13 63.624 0.000 . 1 . . . . . 106 Ser CA . 27135 1 223 . 1 1 106 106 SER N N 15 113.949 0.064 . 1 . . . . . 106 Ser N . 27135 1 224 . 1 1 107 107 PRO C C 13 177.343 0.000 . 1 . . . . . 107 Pro C . 27135 1 225 . 1 1 107 107 PRO CA C 13 65.302 0.000 . 1 . . . . . 107 Pro CA . 27135 1 226 . 1 1 108 108 ALA H H 1 6.990 0.007 . 1 . . . . . 108 Ala H . 27135 1 227 . 1 1 108 108 ALA C C 13 178.900 0.000 . 1 . . . . . 108 Ala C . 27135 1 228 . 1 1 108 108 ALA CA C 13 55.598 0.000 . 1 . . . . . 108 Ala CA . 27135 1 229 . 1 1 108 108 ALA N N 15 118.930 0.052 . 1 . . . . . 108 Ala N . 27135 1 230 . 1 1 109 109 LEU H H 1 8.043 0.011 . 1 . . . . . 109 Leu H . 27135 1 231 . 1 1 109 109 LEU C C 13 179.852 0.000 . 1 . . . . . 109 Leu C . 27135 1 232 . 1 1 109 109 LEU CA C 13 57.261 0.000 . 1 . . . . . 109 Leu CA . 27135 1 233 . 1 1 109 109 LEU N N 15 116.132 0.065 . 1 . . . . . 109 Leu N . 27135 1 234 . 1 1 110 110 ALA H H 1 7.901 0.014 . 1 . . . . . 110 Ala H . 27135 1 235 . 1 1 110 110 ALA CA C 13 54.118 0.000 . 1 . . . . . 110 Ala CA . 27135 1 236 . 1 1 110 110 ALA N N 15 120.771 0.161 . 1 . . . . . 110 Ala N . 27135 1 237 . 1 1 115 115 ALA H H 1 7.837 0.004 . 1 . . . . . 115 Ala H . 27135 1 238 . 1 1 115 115 ALA C C 13 179.773 0.000 . 1 . . . . . 115 Ala C . 27135 1 239 . 1 1 115 115 ALA CA C 13 55.793 0.000 . 1 . . . . . 115 Ala CA . 27135 1 240 . 1 1 115 115 ALA N N 15 121.871 0.057 . 1 . . . . . 115 Ala N . 27135 1 241 . 1 1 116 116 GLN H H 1 7.362 0.005 . 1 . . . . . 116 Gln H . 27135 1 242 . 1 1 116 116 GLN C C 13 179.006 0.000 . 1 . . . . . 116 Gln C . 27135 1 243 . 1 1 116 116 GLN CA C 13 58.435 0.000 . 1 . . . . . 116 Gln CA . 27135 1 244 . 1 1 116 116 GLN N N 15 119.576 0.045 . 1 . . . . . 116 Gln N . 27135 1 245 . 1 1 117 117 MET H H 1 8.537 0.011 . 1 . . . . . 117 Met H . 27135 1 246 . 1 1 117 117 MET C C 13 179.473 0.000 . 1 . . . . . 117 Met C . 27135 1 247 . 1 1 117 117 MET CA C 13 59.095 0.000 . 1 . . . . . 117 Met CA . 27135 1 248 . 1 1 117 117 MET N N 15 118.032 0.104 . 1 . . . . . 117 Met N . 27135 1 249 . 1 1 118 118 VAL H H 1 8.791 0.005 . 1 . . . . . 118 Val H . 27135 1 250 . 1 1 118 118 VAL CA C 13 65.494 0.000 . 1 . . . . . 118 Val CA . 27135 1 251 . 1 1 118 118 VAL N N 15 114.703 0.135 . 1 . . . . . 118 Val N . 27135 1 252 . 1 1 122 122 MET H H 1 7.938 0.014 . 1 . . . . . 122 Met H . 27135 1 253 . 1 1 122 122 MET C C 13 173.059 0.000 . 1 . . . . . 122 Met C . 27135 1 254 . 1 1 122 122 MET CA C 13 54.739 0.000 . 1 . . . . . 122 Met CA . 27135 1 255 . 1 1 122 122 MET N N 15 116.816 0.095 . 1 . . . . . 122 Met N . 27135 1 256 . 1 1 123 123 TRP H H 1 8.506 0.006 . 1 . . . . . 123 Trp H . 27135 1 257 . 1 1 123 123 TRP HE1 H 1 10.124 0.010 . 1 . . . . . 123 Trp HE1 . 27135 1 258 . 1 1 123 123 TRP C C 13 178.008 0.002 . 1 . . . . . 123 Trp C . 27135 1 259 . 1 1 123 123 TRP CA C 13 56.077 0.044 . 1 . . . . . 123 Trp CA . 27135 1 260 . 1 1 123 123 TRP N N 15 116.176 0.120 . 1 . . . . . 123 Trp N . 27135 1 261 . 1 1 123 123 TRP NE1 N 15 130.073 0.057 . 1 . . . . . 123 Trp NE1 . 27135 1 262 . 1 1 124 124 SER H H 1 7.738 0.010 . 1 . . . . . 124 Ser H . 27135 1 263 . 1 1 124 124 SER CA C 13 60.789 0.011 . 1 . . . . . 124 Ser CA . 27135 1 264 . 1 1 124 124 SER N N 15 113.767 0.094 . 1 . . . . . 124 Ser N . 27135 1 265 . 1 1 125 125 LYS H H 1 7.861 0.005 . 1 . . . . . 125 Lys H . 27135 1 266 . 1 1 125 125 LYS CA C 13 55.662 0.032 . 1 . . . . . 125 Lys CA . 27135 1 267 . 1 1 125 125 LYS N N 15 116.456 0.056 . 1 . . . . . 125 Lys N . 27135 1 268 . 1 1 126 126 ASP H H 1 7.621 0.004 . 1 . . . . . 126 Asp H . 27135 1 269 . 1 1 126 126 ASP C C 13 175.568 0.001 . 1 . . . . . 126 Asp C . 27135 1 270 . 1 1 126 126 ASP CA C 13 54.228 0.012 . 1 . . . . . 126 Asp CA . 27135 1 271 . 1 1 126 126 ASP N N 15 121.544 0.021 . 1 . . . . . 126 Asp N . 27135 1 272 . 1 1 127 127 SER H H 1 8.397 0.004 . 1 . . . . . 127 Ser H . 27135 1 273 . 1 1 127 127 SER C C 13 177.906 0.007 . 1 . . . . . 127 Ser C . 27135 1 274 . 1 1 127 127 SER CA C 13 57.458 0.077 . 1 . . . . . 127 Ser CA . 27135 1 275 . 1 1 127 127 SER CB C 13 63.392 0.000 . 1 . . . . . 127 Ser CB . 27135 1 276 . 1 1 127 127 SER N N 15 112.214 0.090 . 1 . . . . . 127 Ser N . 27135 1 277 . 1 1 128 128 TYR H H 1 8.688 0.005 . 1 . . . . . 128 Tyr H . 27135 1 278 . 1 1 128 128 TYR C C 13 178.756 0.000 . 1 . . . . . 128 Tyr C . 27135 1 279 . 1 1 128 128 TYR CA C 13 58.291 0.000 . 1 . . . . . 128 Tyr CA . 27135 1 280 . 1 1 128 128 TYR N N 15 126.848 0.071 . 1 . . . . . 128 Tyr N . 27135 1 281 . 1 1 129 129 LEU H H 1 8.425 0.011 . 1 . . . . . 129 Leu H . 27135 1 282 . 1 1 129 129 LEU C C 13 177.140 0.036 . 1 . . . . . 129 Leu C . 27135 1 283 . 1 1 129 129 LEU CA C 13 55.491 0.002 . 1 . . . . . 129 Leu CA . 27135 1 284 . 1 1 129 129 LEU N N 15 116.321 0.046 . 1 . . . . . 129 Leu N . 27135 1 285 . 1 1 130 130 LYS H H 1 7.980 0.014 . 1 . . . . . 130 Lys H . 27135 1 286 . 1 1 130 130 LYS C C 13 177.101 0.000 . 1 . . . . . 130 Lys C . 27135 1 287 . 1 1 130 130 LYS CA C 13 57.709 0.000 . 1 . . . . . 130 Lys CA . 27135 1 288 . 1 1 130 130 LYS N N 15 116.940 0.068 . 1 . . . . . 130 Lys N . 27135 1 289 . 1 1 131 131 GLN H H 1 7.130 0.012 . 1 . . . . . 131 Gln H . 27135 1 290 . 1 1 131 131 GLN C C 13 175.034 0.037 . 1 . . . . . 131 Gln C . 27135 1 291 . 1 1 131 131 GLN CA C 13 56.963 0.040 . 1 . . . . . 131 Gln CA . 27135 1 292 . 1 1 131 131 GLN N N 15 114.664 0.073 . 1 . . . . . 131 Gln N . 27135 1 293 . 1 1 132 132 LEU H H 1 7.078 0.005 . 1 . . . . . 132 Leu H . 27135 1 294 . 1 1 132 132 LEU C C 13 174.447 0.000 . 1 . . . . . 132 Leu C . 27135 1 295 . 1 1 132 132 LEU CA C 13 52.400 0.000 . 1 . . . . . 132 Leu CA . 27135 1 296 . 1 1 132 132 LEU N N 15 117.114 0.054 . 1 . . . . . 132 Leu N . 27135 1 297 . 1 1 133 133 PRO C C 13 174.825 0.000 . 1 . . . . . 133 Pro C . 27135 1 298 . 1 1 133 133 PRO CA C 13 62.211 0.000 . 1 . . . . . 133 Pro CA . 27135 1 299 . 1 1 134 134 HIS H H 1 7.920 0.006 . 1 . . . . . 134 His H . 27135 1 300 . 1 1 134 134 HIS C C 13 174.949 0.000 . 1 . . . . . 134 His C . 27135 1 301 . 1 1 134 134 HIS CA C 13 57.704 0.000 . 1 . . . . . 134 His CA . 27135 1 302 . 1 1 134 134 HIS N N 15 108.202 0.085 . 1 . . . . . 134 His N . 27135 1 303 . 1 1 135 135 PHE H H 1 7.470 0.008 . 1 . . . . . 135 Phe H . 27135 1 304 . 1 1 135 135 PHE C C 13 177.443 0.000 . 1 . . . . . 135 Phe C . 27135 1 305 . 1 1 135 135 PHE CA C 13 59.084 0.000 . 1 . . . . . 135 Phe CA . 27135 1 306 . 1 1 135 135 PHE N N 15 121.360 0.063 . 1 . . . . . 135 Phe N . 27135 1 307 . 1 1 136 136 THR H H 1 9.521 0.006 . 1 . . . . . 136 Thr H . 27135 1 308 . 1 1 136 136 THR C C 13 176.115 0.000 . 1 . . . . . 136 Thr C . 27135 1 309 . 1 1 136 136 THR CA C 13 60.245 0.000 . 1 . . . . . 136 Thr CA . 27135 1 310 . 1 1 136 136 THR N N 15 119.993 0.041 . 1 . . . . . 136 Thr N . 27135 1 311 . 1 1 139 139 HIS H H 1 7.453 0.005 . 1 . . . . . 139 His H . 27135 1 312 . 1 1 139 139 HIS C C 13 178.301 0.000 . 1 . . . . . 139 His C . 27135 1 313 . 1 1 139 139 HIS CA C 13 61.804 0.000 . 1 . . . . . 139 His CA . 27135 1 314 . 1 1 139 139 HIS N N 15 119.357 0.135 . 1 . . . . . 139 His N . 27135 1 315 . 1 1 140 140 ILE H H 1 8.169 0.002 . 1 . . . . . 140 Ile H . 27135 1 316 . 1 1 140 140 ILE CA C 13 65.784 0.000 . 1 . . . . . 140 Ile CA . 27135 1 317 . 1 1 140 140 ILE N N 15 118.989 0.020 . 1 . . . . . 140 Ile N . 27135 1 318 . 1 1 143 143 CYS H H 1 8.119 0.015 . 1 . . . . . 143 Cys H . 27135 1 319 . 1 1 143 143 CYS C C 13 177.542 0.024 . 1 . . . . . 143 Cys C . 27135 1 320 . 1 1 143 143 CYS CA C 13 64.747 0.025 . 1 . . . . . 143 Cys CA . 27135 1 321 . 1 1 143 143 CYS N N 15 115.750 0.073 . 1 . . . . . 143 Cys N . 27135 1 322 . 1 1 144 144 THR H H 1 9.113 0.009 . 1 . . . . . 144 Thr H . 27135 1 323 . 1 1 144 144 THR CA C 13 66.784 0.000 . 1 . . . . . 144 Thr CA . 27135 1 324 . 1 1 144 144 THR N N 15 118.714 0.116 . 1 . . . . . 144 Thr N . 27135 1 325 . 1 1 145 145 ASP H H 1 8.626 0.017 . 1 . . . . . 145 Asp H . 27135 1 326 . 1 1 145 145 ASP N N 15 123.739 0.200 . 1 . . . . . 145 Asp N . 27135 1 327 . 1 1 147 147 GLY H H 1 8.019 0.005 . 1 . . . . . 147 Gly H . 27135 1 328 . 1 1 147 147 GLY C C 13 173.940 0.007 . 1 . . . . . 147 Gly C . 27135 1 329 . 1 1 147 147 GLY CA C 13 45.503 0.005 . 1 . . . . . 147 Gly CA . 27135 1 330 . 1 1 147 147 GLY N N 15 108.199 0.111 . 1 . . . . . 147 Gly N . 27135 1 331 . 1 1 148 148 VAL H H 1 8.175 0.029 . 1 . . . . . 148 Val H . 27135 1 332 . 1 1 148 148 VAL C C 13 174.188 0.009 . 1 . . . . . 148 Val C . 27135 1 333 . 1 1 148 148 VAL CA C 13 62.132 0.047 . 1 . . . . . 148 Val CA . 27135 1 334 . 1 1 148 148 VAL N N 15 124.094 0.213 . 1 . . . . . 148 Val N . 27135 1 335 . 1 1 149 149 GLU H H 1 9.020 0.013 . 1 . . . . . 149 Glu H . 27135 1 336 . 1 1 149 149 GLU C C 13 175.742 0.016 . 1 . . . . . 149 Glu C . 27135 1 337 . 1 1 149 149 GLU CA C 13 55.965 0.041 . 1 . . . . . 149 Glu CA . 27135 1 338 . 1 1 149 149 GLU N N 15 123.442 0.100 . 1 . . . . . 149 Glu N . 27135 1 339 . 1 1 150 150 SER H H 1 8.550 0.003 . 1 . . . . . 150 Ser H . 27135 1 340 . 1 1 150 150 SER C C 13 174.737 0.010 . 1 . . . . . 150 Ser C . 27135 1 341 . 1 1 150 150 SER CA C 13 55.501 0.050 . 1 . . . . . 150 Ser CA . 27135 1 342 . 1 1 150 150 SER N N 15 114.919 0.056 . 1 . . . . . 150 Ser N . 27135 1 343 . 1 1 151 151 VAL H H 1 9.075 0.006 . 1 . . . . . 151 Val H . 27135 1 344 . 1 1 151 151 VAL C C 13 178.167 0.004 . 1 . . . . . 151 Val C . 27135 1 345 . 1 1 151 151 VAL CA C 13 66.006 0.016 . 1 . . . . . 151 Val CA . 27135 1 346 . 1 1 151 151 VAL N N 15 122.065 0.073 . 1 . . . . . 151 Val N . 27135 1 347 . 1 1 152 152 PHE H H 1 7.083 0.017 . 1 . . . . . 152 Phe H . 27135 1 348 . 1 1 152 152 PHE C C 13 178.088 0.000 . 1 . . . . . 152 Phe C . 27135 1 349 . 1 1 152 152 PHE CA C 13 60.296 0.000 . 1 . . . . . 152 Phe CA . 27135 1 350 . 1 1 152 152 PHE N N 15 115.967 0.046 . 1 . . . . . 152 Phe N . 27135 1 351 . 1 1 153 153 ASP H H 1 7.959 0.009 . 1 . . . . . 153 Asp H . 27135 1 352 . 1 1 153 153 ASP C C 13 179.506 0.000 . 1 . . . . . 153 Asp C . 27135 1 353 . 1 1 153 153 ASP CA C 13 57.066 0.000 . 1 . . . . . 153 Asp CA . 27135 1 354 . 1 1 153 153 ASP N N 15 118.435 0.023 . 1 . . . . . 153 Asp N . 27135 1 355 . 1 1 154 154 ILE H H 1 7.313 0.016 . 1 . . . . . 154 Ile H . 27135 1 356 . 1 1 154 154 ILE C C 13 178.814 0.000 . 1 . . . . . 154 Ile C . 27135 1 357 . 1 1 154 154 ILE CA C 13 61.933 0.000 . 1 . . . . . 154 Ile CA . 27135 1 358 . 1 1 154 154 ILE N N 15 119.181 0.017 . 1 . . . . . 154 Ile N . 27135 1 359 . 1 1 155 155 MET H H 1 8.105 0.013 . 1 . . . . . 155 Met H . 27135 1 360 . 1 1 155 155 MET C C 13 177.133 0.000 . 1 . . . . . 155 Met C . 27135 1 361 . 1 1 155 155 MET CA C 13 58.356 0.000 . 1 . . . . . 155 Met CA . 27135 1 362 . 1 1 155 155 MET N N 15 120.153 0.047 . 1 . . . . . 155 Met N . 27135 1 363 . 1 1 156 156 GLU H H 1 7.599 0.019 . 1 . . . . . 156 Glu H . 27135 1 364 . 1 1 156 156 GLU C C 13 176.928 0.000 . 1 . . . . . 156 Glu C . 27135 1 365 . 1 1 156 156 GLU CA C 13 56.351 0.000 . 1 . . . . . 156 Glu CA . 27135 1 366 . 1 1 156 156 GLU N N 15 115.891 0.029 . 1 . . . . . 156 Glu N . 27135 1 367 . 1 1 157 157 MET H H 1 7.099 0.004 . 1 . . . . . 157 Met H . 27135 1 368 . 1 1 157 157 MET C C 13 176.186 0.000 . 1 . . . . . 157 Met C . 27135 1 369 . 1 1 157 157 MET CA C 13 56.448 0.000 . 1 . . . . . 157 Met CA . 27135 1 370 . 1 1 157 157 MET N N 15 118.742 0.023 . 1 . . . . . 157 Met N . 27135 1 371 . 1 1 158 158 GLU H H 1 8.920 0.008 . 1 . . . . . 158 Glu H . 27135 1 372 . 1 1 158 158 GLU C C 13 178.067 0.000 . 1 . . . . . 158 Glu C . 27135 1 373 . 1 1 158 158 GLU CA C 13 56.275 0.000 . 1 . . . . . 158 Glu CA . 27135 1 374 . 1 1 158 158 GLU N N 15 122.655 0.124 . 1 . . . . . 158 Glu N . 27135 1 375 . 1 1 159 159 ASP H H 1 8.803 0.011 . 1 . . . . . 159 Asp H . 27135 1 376 . 1 1 159 159 ASP C C 13 178.124 0.000 . 1 . . . . . 159 Asp C . 27135 1 377 . 1 1 159 159 ASP CA C 13 58.321 0.000 . 1 . . . . . 159 Asp CA . 27135 1 378 . 1 1 159 159 ASP N N 15 123.337 0.147 . 1 . . . . . 159 Asp N . 27135 1 379 . 1 1 160 160 GLU H H 1 9.133 0.003 . 1 . . . . . 160 Glu H . 27135 1 380 . 1 1 160 160 GLU C C 13 179.901 0.001 . 1 . . . . . 160 Glu C . 27135 1 381 . 1 1 160 160 GLU CA C 13 59.693 0.023 . 1 . . . . . 160 Glu CA . 27135 1 382 . 1 1 160 160 GLU N N 15 117.898 0.028 . 1 . . . . . 160 Glu N . 27135 1 383 . 1 1 161 161 GLU H H 1 7.495 0.011 . 1 . . . . . 161 Glu H . 27135 1 384 . 1 1 161 161 GLU C C 13 179.158 0.028 . 1 . . . . . 161 Glu C . 27135 1 385 . 1 1 161 161 GLU CA C 13 58.599 0.091 . 1 . . . . . 161 Glu CA . 27135 1 386 . 1 1 161 161 GLU N N 15 120.554 0.181 . 1 . . . . . 161 Glu N . 27135 1 387 . 1 1 162 162 ARG H H 1 8.681 0.015 . 1 . . . . . 162 Arg H . 27135 1 388 . 1 1 162 162 ARG C C 13 178.501 0.025 . 1 . . . . . 162 Arg C . 27135 1 389 . 1 1 162 162 ARG CA C 13 59.496 0.069 . 1 . . . . . 162 Arg CA . 27135 1 390 . 1 1 162 162 ARG N N 15 121.779 0.142 . 1 . . . . . 162 Arg N . 27135 1 391 . 1 1 163 163 ASN H H 1 8.761 0.011 . 1 . . . . . 163 Asn H . 27135 1 392 . 1 1 163 163 ASN C C 13 179.026 0.004 . 1 . . . . . 163 Asn C . 27135 1 393 . 1 1 163 163 ASN CA C 13 55.366 0.026 . 1 . . . . . 163 Asn CA . 27135 1 394 . 1 1 163 163 ASN N N 15 118.217 0.035 . 1 . . . . . 163 Asn N . 27135 1 395 . 1 1 164 164 ALA H H 1 7.948 0.014 . 1 . . . . . 164 Ala H . 27135 1 396 . 1 1 164 164 ALA C C 13 179.291 0.000 . 1 . . . . . 164 Ala C . 27135 1 397 . 1 1 164 164 ALA CA C 13 54.188 0.005 . 1 . . . . . 164 Ala CA . 27135 1 398 . 1 1 164 164 ALA N N 15 122.824 0.125 . 1 . . . . . 164 Ala N . 27135 1 399 . 1 1 165 165 LEU H H 1 7.746 0.017 . 1 . . . . . 165 Leu H . 27135 1 400 . 1 1 165 165 LEU C C 13 178.628 0.000 . 1 . . . . . 165 Leu C . 27135 1 401 . 1 1 165 165 LEU CA C 13 56.689 0.000 . 1 . . . . . 165 Leu CA . 27135 1 402 . 1 1 165 165 LEU N N 15 118.264 0.176 . 1 . . . . . 165 Leu N . 27135 1 403 . 1 1 167 167 GLN H H 1 8.068 0.024 . 1 . . . . . 167 Gln H . 27135 1 404 . 1 1 167 167 GLN C C 13 175.639 0.000 . 1 . . . . . 167 Gln C . 27135 1 405 . 1 1 167 167 GLN CA C 13 56.209 0.000 . 1 . . . . . 167 Gln CA . 27135 1 406 . 1 1 167 167 GLN N N 15 112.389 0.152 . 1 . . . . . 167 Gln N . 27135 1 407 . 1 1 168 168 LEU H H 1 8.142 0.015 . 1 . . . . . 168 Leu H . 27135 1 408 . 1 1 168 168 LEU C C 13 177.980 0.003 . 1 . . . . . 168 Leu C . 27135 1 409 . 1 1 168 168 LEU CA C 13 52.876 0.091 . 1 . . . . . 168 Leu CA . 27135 1 410 . 1 1 168 168 LEU N N 15 120.132 0.223 . 1 . . . . . 168 Leu N . 27135 1 411 . 1 1 169 169 THR H H 1 8.599 0.003 . 1 . . . . . 169 Thr H . 27135 1 412 . 1 1 169 169 THR C C 13 175.249 0.016 . 1 . . . . . 169 Thr C . 27135 1 413 . 1 1 169 169 THR CA C 13 61.087 0.046 . 1 . . . . . 169 Thr CA . 27135 1 414 . 1 1 169 169 THR N N 15 111.181 0.059 . 1 . . . . . 169 Thr N . 27135 1 415 . 1 1 170 170 ASP H H 1 8.883 0.019 . 1 . . . . . 170 Asp H . 27135 1 416 . 1 1 170 170 ASP C C 13 179.565 0.000 . 1 . . . . . 170 Asp C . 27135 1 417 . 1 1 170 170 ASP CA C 13 57.716 0.000 . 1 . . . . . 170 Asp CA . 27135 1 418 . 1 1 170 170 ASP N N 15 120.216 0.122 . 1 . . . . . 170 Asp N . 27135 1 419 . 1 1 172 172 GLN H H 1 7.374 0.003 . 1 . . . . . 172 Gln H . 27135 1 420 . 1 1 172 172 GLN C C 13 179.434 0.001 . 1 . . . . . 172 Gln C . 27135 1 421 . 1 1 172 172 GLN CA C 13 58.057 0.056 . 1 . . . . . 172 Gln CA . 27135 1 422 . 1 1 172 172 GLN N N 15 122.048 0.042 . 1 . . . . . 172 Gln N . 27135 1 423 . 1 1 173 173 ILE H H 1 8.936 0.006 . 1 . . . . . 173 Ile H . 27135 1 424 . 1 1 173 173 ILE C C 13 178.408 0.007 . 1 . . . . . 173 Ile C . 27135 1 425 . 1 1 173 173 ILE CA C 13 62.927 0.005 . 1 . . . . . 173 Ile CA . 27135 1 426 . 1 1 173 173 ILE N N 15 121.038 0.086 . 1 . . . . . 173 Ile N . 27135 1 427 . 1 1 174 174 ALA H H 1 7.763 0.017 . 1 . . . . . 174 Ala H . 27135 1 428 . 1 1 174 174 ALA C C 13 181.130 0.003 . 1 . . . . . 174 Ala C . 27135 1 429 . 1 1 174 174 ALA CA C 13 54.791 0.016 . 1 . . . . . 174 Ala CA . 27135 1 430 . 1 1 174 174 ALA N N 15 123.493 0.122 . 1 . . . . . 174 Ala N . 27135 1 431 . 1 1 175 175 ASP H H 1 7.785 0.013 . 1 . . . . . 175 Asp H . 27135 1 432 . 1 1 175 175 ASP C C 13 179.795 0.003 . 1 . . . . . 175 Asp C . 27135 1 433 . 1 1 175 175 ASP CA C 13 57.245 0.013 . 1 . . . . . 175 Asp CA . 27135 1 434 . 1 1 175 175 ASP N N 15 119.886 0.065 . 1 . . . . . 175 Asp N . 27135 1 435 . 1 1 176 176 VAL H H 1 8.319 0.015 . 1 . . . . . 176 Val H . 27135 1 436 . 1 1 176 176 VAL C C 13 178.049 0.042 . 1 . . . . . 176 Val C . 27135 1 437 . 1 1 176 176 VAL CA C 13 67.148 0.027 . 1 . . . . . 176 Val CA . 27135 1 438 . 1 1 176 176 VAL N N 15 124.261 0.093 . 1 . . . . . 176 Val N . 27135 1 439 . 1 1 177 177 ALA H H 1 9.069 0.005 . 1 . . . . . 177 Ala H . 27135 1 440 . 1 1 177 177 ALA C C 13 180.134 0.000 . 1 . . . . . 177 Ala C . 27135 1 441 . 1 1 177 177 ALA CA C 13 55.229 0.000 . 1 . . . . . 177 Ala CA . 27135 1 442 . 1 1 177 177 ALA N N 15 124.302 0.029 . 1 . . . . . 177 Ala N . 27135 1 443 . 1 1 179 179 PHE H H 1 8.023 0.004 . 1 . . . . . 179 Phe H . 27135 1 444 . 1 1 179 179 PHE C C 13 176.106 0.000 . 1 . . . . . 179 Phe C . 27135 1 445 . 1 1 179 179 PHE CA C 13 61.633 0.000 . 1 . . . . . 179 Phe CA . 27135 1 446 . 1 1 179 179 PHE N N 15 119.226 0.051 . 1 . . . . . 179 Phe N . 27135 1 447 . 1 1 180 180 CYS H H 1 8.786 0.012 . 1 . . . . . 180 Cys H . 27135 1 448 . 1 1 180 180 CYS CA C 13 64.295 0.000 . 1 . . . . . 180 Cys CA . 27135 1 449 . 1 1 180 180 CYS N N 15 118.326 0.141 . 1 . . . . . 180 Cys N . 27135 1 450 . 1 1 181 181 ASN H H 1 8.374 0.020 . 1 . . . . . 181 Asn H . 27135 1 451 . 1 1 181 181 ASN N N 15 116.013 0.208 . 1 . . . . . 181 Asn N . 27135 1 452 . 1 1 182 182 ARG H H 1 7.259 0.005 . 1 . . . . . 182 Arg H . 27135 1 453 . 1 1 182 182 ARG C C 13 174.808 0.000 . 1 . . . . . 182 Arg C . 27135 1 454 . 1 1 182 182 ARG CA C 13 53.454 0.000 . 1 . . . . . 182 Arg CA . 27135 1 455 . 1 1 182 182 ARG N N 15 118.214 0.140 . 1 . . . . . 182 Arg N . 27135 1 456 . 1 1 183 183 TYR H H 1 7.269 0.004 . 1 . . . . . 183 Tyr H . 27135 1 457 . 1 1 183 183 TYR C C 13 173.979 0.000 . 1 . . . . . 183 Tyr C . 27135 1 458 . 1 1 183 183 TYR CA C 13 55.554 0.000 . 1 . . . . . 183 Tyr CA . 27135 1 459 . 1 1 183 183 TYR N N 15 125.654 0.110 . 1 . . . . . 183 Tyr N . 27135 1 460 . 1 1 185 185 ASN H H 1 8.515 0.001 . 1 . . . . . 185 Asn H . 27135 1 461 . 1 1 185 185 ASN CA C 13 51.365 0.092 . 1 . . . . . 185 Asn CA . 27135 1 462 . 1 1 185 185 ASN N N 15 123.939 0.024 . 1 . . . . . 185 Asn N . 27135 1 463 . 1 1 186 186 ILE H H 1 8.498 0.019 . 1 . . . . . 186 Ile H . 27135 1 464 . 1 1 186 186 ILE C C 13 175.435 0.010 . 1 . . . . . 186 Ile C . 27135 1 465 . 1 1 186 186 ILE CA C 13 59.115 0.092 . 1 . . . . . 186 Ile CA . 27135 1 466 . 1 1 186 186 ILE N N 15 123.261 0.232 . 1 . . . . . 186 Ile N . 27135 1 467 . 1 1 187 187 GLU H H 1 8.892 0.005 . 1 . . . . . 187 Glu H . 27135 1 468 . 1 1 187 187 GLU C C 13 174.343 0.008 . 1 . . . . . 187 Glu C . 27135 1 469 . 1 1 187 187 GLU CA C 13 54.931 0.005 . 1 . . . . . 187 Glu CA . 27135 1 470 . 1 1 187 187 GLU N N 15 129.146 0.098 . 1 . . . . . 187 Glu N . 27135 1 471 . 1 1 188 188 LEU H H 1 8.932 0.004 . 1 . . . . . 188 Leu H . 27135 1 472 . 1 1 188 188 LEU C C 13 175.576 0.003 . 1 . . . . . 188 Leu C . 27135 1 473 . 1 1 188 188 LEU CA C 13 54.194 0.010 . 1 . . . . . 188 Leu CA . 27135 1 474 . 1 1 188 188 LEU N N 15 131.805 0.128 . 1 . . . . . 188 Leu N . 27135 1 475 . 1 1 189 189 SER H H 1 9.072 0.002 . 1 . . . . . 189 Ser H . 27135 1 476 . 1 1 189 189 SER C C 13 171.852 0.040 . 1 . . . . . 189 Ser C . 27135 1 477 . 1 1 189 189 SER CA C 13 56.531 0.020 . 1 . . . . . 189 Ser CA . 27135 1 478 . 1 1 189 189 SER N N 15 121.036 0.049 . 1 . . . . . 189 Ser N . 27135 1 479 . 1 1 190 190 TYR H H 1 8.269 0.003 . 1 . . . . . 190 Tyr H . 27135 1 480 . 1 1 190 190 TYR C C 13 173.177 0.005 . 1 . . . . . 190 Tyr C . 27135 1 481 . 1 1 190 190 TYR CA C 13 55.477 0.022 . 1 . . . . . 190 Tyr CA . 27135 1 482 . 1 1 190 190 TYR N N 15 118.808 0.031 . 1 . . . . . 190 Tyr N . 27135 1 483 . 1 1 191 191 GLU H H 1 8.631 0.003 . 1 . . . . . 191 Glu H . 27135 1 484 . 1 1 191 191 GLU C C 13 173.980 0.006 . 1 . . . . . 191 Glu C . 27135 1 485 . 1 1 191 191 GLU CA C 13 54.425 0.059 . 1 . . . . . 191 Glu CA . 27135 1 486 . 1 1 191 191 GLU N N 15 119.011 0.037 . 1 . . . . . 191 Glu N . 27135 1 487 . 1 1 192 192 VAL H H 1 8.730 0.001 . 1 . . . . . 192 Val H . 27135 1 488 . 1 1 192 192 VAL C C 13 175.919 0.015 . 1 . . . . . 192 Val C . 27135 1 489 . 1 1 192 192 VAL CA C 13 61.614 0.000 . 1 . . . . . 192 Val CA . 27135 1 490 . 1 1 192 192 VAL N N 15 125.909 0.042 . 1 . . . . . 192 Val N . 27135 1 491 . 1 1 193 193 VAL H H 1 8.741 0.004 . 1 . . . . . 193 Val H . 27135 1 492 . 1 1 193 193 VAL C C 13 176.062 0.001 . 1 . . . . . 193 Val C . 27135 1 493 . 1 1 193 193 VAL CA C 13 63.548 0.000 . 1 . . . . . 193 Val CA . 27135 1 494 . 1 1 193 193 VAL N N 15 131.550 0.092 . 1 . . . . . 193 Val N . 27135 1 495 . 1 1 194 194 ASP H H 1 8.877 0.005 . 1 . . . . . 194 Asp H . 27135 1 496 . 1 1 194 194 ASP C C 13 178.073 0.017 . 1 . . . . . 194 Asp C . 27135 1 497 . 1 1 194 194 ASP CA C 13 55.016 0.000 . 1 . . . . . 194 Asp CA . 27135 1 498 . 1 1 194 194 ASP N N 15 124.643 0.115 . 1 . . . . . 194 Asp N . 27135 1 499 . 1 1 195 195 LYS H H 1 7.382 0.014 . 1 . . . . . 195 Lys H . 27135 1 500 . 1 1 195 195 LYS C C 13 177.573 0.003 . 1 . . . . . 195 Lys C . 27135 1 501 . 1 1 195 195 LYS CA C 13 58.823 0.078 . 1 . . . . . 195 Lys CA . 27135 1 502 . 1 1 195 195 LYS N N 15 113.477 0.066 . 1 . . . . . 195 Lys N . 27135 1 503 . 1 1 196 196 ASP H H 1 8.658 0.008 . 1 . . . . . 196 Asp H . 27135 1 504 . 1 1 196 196 ASP C C 13 176.345 0.000 . 1 . . . . . 196 Asp C . 27135 1 505 . 1 1 196 196 ASP CA C 13 55.123 0.095 . 1 . . . . . 196 Asp CA . 27135 1 506 . 1 1 196 196 ASP N N 15 119.923 0.042 . 1 . . . . . 196 Asp N . 27135 1 507 . 1 1 197 197 SER H H 1 8.263 0.018 . 1 . . . . . 197 Ser H . 27135 1 508 . 1 1 197 197 SER CA C 13 56.287 0.035 . 1 . . . . . 197 Ser CA . 27135 1 509 . 1 1 197 197 SER N N 15 116.479 0.064 . 1 . . . . . 197 Ser N . 27135 1 510 . 1 1 198 198 ILE H H 1 8.362 0.004 . 1 . . . . . 198 Ile H . 27135 1 511 . 1 1 198 198 ILE C C 13 175.512 0.011 . 1 . . . . . 198 Ile C . 27135 1 512 . 1 1 198 198 ILE CA C 13 61.121 0.016 . 1 . . . . . 198 Ile CA . 27135 1 513 . 1 1 198 198 ILE N N 15 125.273 0.134 . 1 . . . . . 198 Ile N . 27135 1 514 . 1 1 199 199 ARG H H 1 8.375 0.017 . 1 . . . . . 199 Arg H . 27135 1 515 . 1 1 199 199 ARG C C 13 176.004 0.021 . 1 . . . . . 199 Arg C . 27135 1 516 . 1 1 199 199 ARG CA C 13 53.118 0.074 . 1 . . . . . 199 Arg CA . 27135 1 517 . 1 1 199 199 ARG N N 15 126.456 0.096 . 1 . . . . . 199 Arg N . 27135 1 518 . 1 1 200 200 SER H H 1 8.277 0.006 . 1 . . . . . 200 Ser H . 27135 1 519 . 1 1 200 200 SER CA C 13 59.289 0.015 . 1 . . . . . 200 Ser CA . 27135 1 520 . 1 1 200 200 SER N N 15 115.747 0.088 . 1 . . . . . 200 Ser N . 27135 1 521 . 1 1 201 201 GLY H H 1 8.156 0.003 . 1 . . . . . 201 Gly H . 27135 1 522 . 1 1 201 201 GLY C C 13 174.089 0.034 . 1 . . . . . 201 Gly C . 27135 1 523 . 1 1 201 201 GLY CA C 13 45.343 0.007 . 1 . . . . . 201 Gly CA . 27135 1 524 . 1 1 201 201 GLY N N 15 115.941 0.129 . 1 . . . . . 201 Gly N . 27135 1 525 . 1 1 202 202 GLY H H 1 8.598 0.003 . 1 . . . . . 202 Gly H . 27135 1 526 . 1 1 202 202 GLY C C 13 170.447 0.000 . 1 . . . . . 202 Gly C . 27135 1 527 . 1 1 202 202 GLY CA C 13 43.329 0.000 . 1 . . . . . 202 Gly CA . 27135 1 528 . 1 1 202 202 GLY N N 15 110.405 0.138 . 1 . . . . . 202 Gly N . 27135 1 529 . 1 1 204 204 VAL H H 1 8.625 0.006 . 1 . . . . . 204 Val H . 27135 1 530 . 1 1 204 204 VAL C C 13 174.017 0.014 . 1 . . . . . 204 Val C . 27135 1 531 . 1 1 204 204 VAL CA C 13 61.444 0.005 . 1 . . . . . 204 Val CA . 27135 1 532 . 1 1 204 204 VAL N N 15 124.289 0.049 . 1 . . . . . 204 Val N . 27135 1 533 . 1 1 205 205 VAL H H 1 8.905 0.017 . 1 . . . . . 205 Val H . 27135 1 534 . 1 1 205 205 VAL C C 13 174.374 0.092 . 1 . . . . . 205 Val C . 27135 1 535 . 1 1 205 205 VAL CA C 13 60.744 0.015 . 1 . . . . . 205 Val CA . 27135 1 536 . 1 1 205 205 VAL N N 15 126.897 0.156 . 1 . . . . . 205 Val N . 27135 1 537 . 1 1 206 206 VAL H H 1 9.011 0.020 . 1 . . . . . 206 Val H . 27135 1 538 . 1 1 206 206 VAL CA C 13 60.078 0.000 . 1 . . . . . 206 Val CA . 27135 1 539 . 1 1 206 206 VAL N N 15 126.879 0.130 . 1 . . . . . 206 Val N . 27135 1 540 . 1 1 207 207 LEU H H 1 8.891 0.005 . 1 . . . . . 207 Leu H . 27135 1 541 . 1 1 207 207 LEU CA C 13 52.757 0.003 . 1 . . . . . 207 Leu CA . 27135 1 542 . 1 1 207 207 LEU N N 15 127.127 0.069 . 1 . . . . . 207 Leu N . 27135 1 543 . 1 1 208 208 VAL H H 1 9.361 0.010 . 1 . . . . . 208 Val H . 27135 1 544 . 1 1 208 208 VAL C C 13 174.004 0.067 . 1 . . . . . 208 Val C . 27135 1 545 . 1 1 208 208 VAL CA C 13 60.689 0.004 . 1 . . . . . 208 Val CA . 27135 1 546 . 1 1 208 208 VAL N N 15 126.753 0.149 . 1 . . . . . 208 Val N . 27135 1 547 . 1 1 209 209 GLN H H 1 9.293 0.013 . 1 . . . . . 209 Gln H . 27135 1 548 . 1 1 209 209 GLN CA C 13 54.445 0.000 . 1 . . . . . 209 Gln CA . 27135 1 549 . 1 1 209 209 GLN N N 15 127.323 0.161 . 1 . . . . . 209 Gln N . 27135 1 550 . 1 1 210 210 LEU H H 1 8.699 0.006 . 1 . . . . . 210 Leu H . 27135 1 551 . 1 1 210 210 LEU C C 13 176.528 0.024 . 1 . . . . . 210 Leu C . 27135 1 552 . 1 1 210 210 LEU CA C 13 52.357 0.000 . 1 . . . . . 210 Leu CA . 27135 1 553 . 1 1 210 210 LEU N N 15 124.778 0.048 . 1 . . . . . 210 Leu N . 27135 1 554 . 1 1 211 211 GLU H H 1 8.507 0.002 . 1 . . . . . 211 Glu H . 27135 1 555 . 1 1 211 211 GLU C C 13 174.446 0.000 . 1 . . . . . 211 Glu C . 27135 1 556 . 1 1 211 211 GLU CA C 13 55.215 0.018 . 1 . . . . . 211 Glu CA . 27135 1 557 . 1 1 211 211 GLU N N 15 120.844 0.070 . 1 . . . . . 211 Glu N . 27135 1 558 . 1 1 212 212 ARG H H 1 8.983 0.016 . 1 . . . . . 212 Arg H . 27135 1 559 . 1 1 212 212 ARG C C 13 176.392 0.000 . 1 . . . . . 212 Arg C . 27135 1 560 . 1 1 212 212 ARG CA C 13 55.001 0.000 . 1 . . . . . 212 Arg CA . 27135 1 561 . 1 1 212 212 ARG N N 15 126.516 0.179 . 1 . . . . . 212 Arg N . 27135 1 562 . 1 1 213 213 GLU H H 1 8.810 0.010 . 1 . . . . . 213 Glu H . 27135 1 563 . 1 1 213 213 GLU C C 13 176.761 0.030 . 1 . . . . . 213 Glu C . 27135 1 564 . 1 1 213 213 GLU CA C 13 58.851 0.000 . 1 . . . . . 213 Glu CA . 27135 1 565 . 1 1 213 213 GLU N N 15 124.927 0.165 . 1 . . . . . 213 Glu N . 27135 1 566 . 1 1 214 214 GLU H H 1 8.032 0.007 . 1 . . . . . 214 Glu H . 27135 1 567 . 1 1 214 214 GLU C C 13 175.660 0.017 . 1 . . . . . 214 Glu C . 27135 1 568 . 1 1 214 214 GLU CA C 13 54.559 0.006 . 1 . . . . . 214 Glu CA . 27135 1 569 . 1 1 214 214 GLU N N 15 116.224 0.074 . 1 . . . . . 214 Glu N . 27135 1 570 . 1 1 215 215 GLU H H 1 8.659 0.006 . 1 . . . . . 215 Glu H . 27135 1 571 . 1 1 215 215 GLU C C 13 176.575 0.011 . 1 . . . . . 215 Glu C . 27135 1 572 . 1 1 215 215 GLU CA C 13 56.757 0.003 . 1 . . . . . 215 Glu CA . 27135 1 573 . 1 1 215 215 GLU N N 15 122.252 0.134 . 1 . . . . . 215 Glu N . 27135 1 574 . 1 1 216 216 VAL H H 1 8.259 0.006 . 1 . . . . . 216 Val H . 27135 1 575 . 1 1 216 216 VAL C C 13 176.025 0.006 . 1 . . . . . 216 Val C . 27135 1 576 . 1 1 216 216 VAL CA C 13 61.248 0.020 . 1 . . . . . 216 Val CA . 27135 1 577 . 1 1 216 216 VAL N N 15 122.063 0.021 . 1 . . . . . 216 Val N . 27135 1 578 . 1 1 217 217 THR H H 1 8.509 0.002 . 1 . . . . . 217 Thr H . 27135 1 579 . 1 1 217 217 THR C C 13 174.782 0.029 . 1 . . . . . 217 Thr C . 27135 1 580 . 1 1 217 217 THR CA C 13 60.462 0.006 . 1 . . . . . 217 Thr CA . 27135 1 581 . 1 1 217 217 THR N N 15 116.631 0.052 . 1 . . . . . 217 Thr N . 27135 1 582 . 1 1 218 218 GLY H H 1 8.161 0.004 . 1 . . . . . 218 Gly H . 27135 1 583 . 1 1 218 218 GLY C C 13 171.468 0.000 . 1 . . . . . 218 Gly C . 27135 1 584 . 1 1 218 218 GLY CA C 13 44.537 0.000 . 1 . . . . . 218 Gly CA . 27135 1 585 . 1 1 218 218 GLY N N 15 110.545 0.097 . 1 . . . . . 218 Gly N . 27135 1 586 . 1 1 220 220 VAL H H 1 7.996 0.004 . 1 . . . . . 220 Val H . 27135 1 587 . 1 1 220 220 VAL C C 13 176.765 0.016 . 1 . . . . . 220 Val C . 27135 1 588 . 1 1 220 220 VAL CA C 13 62.564 0.057 . 1 . . . . . 220 Val CA . 27135 1 589 . 1 1 220 220 VAL N N 15 117.669 0.055 . 1 . . . . . 220 Val N . 27135 1 590 . 1 1 221 221 ILE H H 1 7.730 0.007 . 1 . . . . . 221 Ile H . 27135 1 591 . 1 1 221 221 ILE C C 13 173.334 0.035 . 1 . . . . . 221 Ile C . 27135 1 592 . 1 1 221 221 ILE CA C 13 61.560 0.003 . 1 . . . . . 221 Ile CA . 27135 1 593 . 1 1 221 221 ILE N N 15 127.027 0.069 . 1 . . . . . 221 Ile N . 27135 1 594 . 1 1 222 222 ALA H H 1 8.307 0.007 . 1 . . . . . 222 Ala H . 27135 1 595 . 1 1 222 222 ALA C C 13 176.114 0.000 . 1 . . . . . 222 Ala C . 27135 1 596 . 1 1 222 222 ALA CA C 13 50.606 0.000 . 1 . . . . . 222 Ala CA . 27135 1 597 . 1 1 222 222 ALA N N 15 128.826 0.156 . 1 . . . . . 222 Ala N . 27135 1 598 . 1 1 224 224 LEU H H 1 8.982 0.002 . 1 . . . . . 224 Leu H . 27135 1 599 . 1 1 224 224 LEU C C 13 175.411 0.040 . 1 . . . . . 224 Leu C . 27135 1 600 . 1 1 224 224 LEU CA C 13 53.759 0.013 . 1 . . . . . 224 Leu CA . 27135 1 601 . 1 1 224 224 LEU N N 15 118.474 0.046 . 1 . . . . . 224 Leu N . 27135 1 602 . 1 1 225 225 PHE H H 1 8.175 0.002 . 1 . . . . . 225 Phe H . 27135 1 603 . 1 1 225 225 PHE C C 13 176.208 0.000 . 1 . . . . . 225 Phe C . 27135 1 604 . 1 1 225 225 PHE CA C 13 55.415 0.000 . 1 . . . . . 225 Phe CA . 27135 1 605 . 1 1 225 225 PHE N N 15 124.630 0.087 . 1 . . . . . 225 Phe N . 27135 1 606 . 1 1 227 227 GLN H H 1 6.903 0.003 . 1 . . . . . 227 Gln H . 27135 1 607 . 1 1 227 227 GLN C C 13 174.997 0.030 . 1 . . . . . 227 Gln C . 27135 1 608 . 1 1 227 227 GLN CA C 13 53.943 0.015 . 1 . . . . . 227 Gln CA . 27135 1 609 . 1 1 227 227 GLN CB C 13 31.188 0.000 . 1 . . . . . 227 Gln CB . 27135 1 610 . 1 1 227 227 GLN N N 15 117.180 0.058 . 1 . . . . . 227 Gln N . 27135 1 611 . 1 1 228 228 LYS H H 1 8.572 0.018 . 1 . . . . . 228 Lys H . 27135 1 612 . 1 1 228 228 LYS C C 13 176.920 0.013 . 1 . . . . . 228 Lys C . 27135 1 613 . 1 1 228 228 LYS CA C 13 56.342 0.036 . 1 . . . . . 228 Lys CA . 27135 1 614 . 1 1 228 228 LYS CB C 13 31.179 0.000 . 1 . . . . . 228 Lys CB . 27135 1 615 . 1 1 228 228 LYS N N 15 122.006 0.182 . 1 . . . . . 228 Lys N . 27135 1 616 . 1 1 229 229 ARG H H 1 9.563 0.005 . 1 . . . . . 229 Arg H . 27135 1 617 . 1 1 229 229 ARG C C 13 174.581 0.000 . 1 . . . . . 229 Arg C . 27135 1 618 . 1 1 229 229 ARG CA C 13 53.791 0.004 . 1 . . . . . 229 Arg CA . 27135 1 619 . 1 1 229 229 ARG N N 15 126.642 0.092 . 1 . . . . . 229 Arg N . 27135 1 620 . 1 1 230 230 GLU H H 1 8.146 0.023 . 1 . . . . . 230 Glu H . 27135 1 621 . 1 1 230 230 GLU C C 13 175.932 0.000 . 1 . . . . . 230 Glu C . 27135 1 622 . 1 1 230 230 GLU CA C 13 54.129 0.000 . 1 . . . . . 230 Glu CA . 27135 1 623 . 1 1 230 230 GLU N N 15 121.044 0.162 . 1 . . . . . 230 Glu N . 27135 1 624 . 1 1 231 231 GLU H H 1 8.874 0.014 . 1 . . . . . 231 Glu H . 27135 1 625 . 1 1 231 231 GLU CA C 13 56.883 0.025 . 1 . . . . . 231 Glu CA . 27135 1 626 . 1 1 231 231 GLU N N 15 124.711 0.170 . 1 . . . . . 231 Glu N . 27135 1 627 . 1 1 232 232 GLY H H 1 8.169 0.023 . 1 . . . . . 232 Gly H . 27135 1 628 . 1 1 232 232 GLY CA C 13 43.611 0.000 . 1 . . . . . 232 Gly CA . 27135 1 629 . 1 1 232 232 GLY N N 15 117.213 0.056 . 1 . . . . . 232 Gly N . 27135 1 630 . 1 1 233 233 TRP H H 1 8.159 0.013 . 1 . . . . . 233 Trp H . 27135 1 631 . 1 1 233 233 TRP HE1 H 1 10.776 0.007 . 1 . . . . . 233 Trp HE1 . 27135 1 632 . 1 1 233 233 TRP C C 13 175.360 0.008 . 1 . . . . . 233 Trp C . 27135 1 633 . 1 1 233 233 TRP CA C 13 55.186 0.089 . 1 . . . . . 233 Trp CA . 27135 1 634 . 1 1 233 233 TRP N N 15 119.042 0.193 . 1 . . . . . 233 Trp N . 27135 1 635 . 1 1 233 233 TRP NE1 N 15 129.494 0.041 . 1 . . . . . 233 Trp NE1 . 27135 1 636 . 1 1 234 234 TRP H H 1 9.863 0.005 . 1 . . . . . 234 Trp H . 27135 1 637 . 1 1 234 234 TRP HE1 H 1 10.671 0.006 . 1 . . . . . 234 Trp HE1 . 27135 1 638 . 1 1 234 234 TRP CA C 13 58.091 0.000 . 1 . . . . . 234 Trp CA . 27135 1 639 . 1 1 234 234 TRP N N 15 119.225 0.055 . 1 . . . . . 234 Trp N . 27135 1 640 . 1 1 234 234 TRP NE1 N 15 130.149 0.072 . 1 . . . . . 234 Trp NE1 . 27135 1 641 . 1 1 235 235 VAL H H 1 9.258 0.004 . 1 . . . . . 235 Val H . 27135 1 642 . 1 1 235 235 VAL CA C 13 60.185 0.000 . 1 . . . . . 235 Val CA . 27135 1 643 . 1 1 235 235 VAL N N 15 120.391 0.061 . 1 . . . . . 235 Val N . 27135 1 644 . 1 1 236 236 VAL H H 1 9.437 0.006 . 1 . . . . . 236 Val H . 27135 1 645 . 1 1 236 236 VAL CA C 13 59.532 0.011 . 1 . . . . . 236 Val CA . 27135 1 646 . 1 1 236 236 VAL N N 15 125.560 0.063 . 1 . . . . . 236 Val N . 27135 1 647 . 1 1 237 237 ILE H H 1 9.078 0.004 . 1 . . . . . 237 Ile H . 27135 1 648 . 1 1 237 237 ILE CA C 13 59.515 0.035 . 1 . . . . . 237 Ile CA . 27135 1 649 . 1 1 237 237 ILE N N 15 124.249 0.063 . 1 . . . . . 237 Ile N . 27135 1 650 . 1 1 238 238 GLY H H 1 9.830 0.006 . 1 . . . . . 238 Gly H . 27135 1 651 . 1 1 238 238 GLY C C 13 170.516 0.000 . 1 . . . . . 238 Gly C . 27135 1 652 . 1 1 238 238 GLY CA C 13 44.593 0.023 . 1 . . . . . 238 Gly CA . 27135 1 653 . 1 1 238 238 GLY N N 15 114.330 0.063 . 1 . . . . . 238 Gly N . 27135 1 654 . 1 1 239 239 ASP H H 1 9.093 0.004 . 1 . . . . . 239 Asp H . 27135 1 655 . 1 1 239 239 ASP C C 13 176.783 0.008 . 1 . . . . . 239 Asp C . 27135 1 656 . 1 1 239 239 ASP CA C 13 52.191 0.053 . 1 . . . . . 239 Asp CA . 27135 1 657 . 1 1 239 239 ASP N N 15 119.976 0.024 . 1 . . . . . 239 Asp N . 27135 1 658 . 1 1 240 240 ALA H H 1 9.182 0.011 . 1 . . . . . 240 Ala H . 27135 1 659 . 1 1 240 240 ALA C C 13 180.020 0.008 . 1 . . . . . 240 Ala C . 27135 1 660 . 1 1 240 240 ALA CA C 13 54.131 0.028 . 1 . . . . . 240 Ala CA . 27135 1 661 . 1 1 240 240 ALA N N 15 127.145 0.095 . 1 . . . . . 240 Ala N . 27135 1 662 . 1 1 241 241 LYS H H 1 8.353 0.022 . 1 . . . . . 241 Lys H . 27135 1 663 . 1 1 241 241 LYS C C 13 178.107 0.020 . 1 . . . . . 241 Lys C . 27135 1 664 . 1 1 241 241 LYS CA C 13 58.365 0.065 . 1 . . . . . 241 Lys CA . 27135 1 665 . 1 1 241 241 LYS N N 15 118.787 0.123 . 1 . . . . . 241 Lys N . 27135 1 666 . 1 1 242 242 SER H H 1 7.477 0.019 . 1 . . . . . 242 Ser H . 27135 1 667 . 1 1 242 242 SER CA C 13 57.380 0.000 . 1 . . . . . 242 Ser CA . 27135 1 668 . 1 1 242 242 SER N N 15 111.692 0.185 . 1 . . . . . 242 Ser N . 27135 1 669 . 1 1 243 243 ASN H H 1 8.114 0.006 . 1 . . . . . 243 Asn H . 27135 1 670 . 1 1 243 243 ASN CA C 13 54.158 0.000 . 1 . . . . . 243 Asn CA . 27135 1 671 . 1 1 243 243 ASN N N 15 120.354 0.069 . 1 . . . . . 243 Asn N . 27135 1 672 . 1 1 244 244 SER H H 1 8.149 0.019 . 1 . . . . . 244 Ser H . 27135 1 673 . 1 1 244 244 SER C C 13 172.980 0.000 . 1 . . . . . 244 Ser C . 27135 1 674 . 1 1 244 244 SER CA C 13 56.965 0.063 . 1 . . . . . 244 Ser CA . 27135 1 675 . 1 1 244 244 SER N N 15 113.113 0.132 . 1 . . . . . 244 Ser N . 27135 1 676 . 1 1 245 245 LEU H H 1 8.486 0.005 . 1 . . . . . 245 Leu H . 27135 1 677 . 1 1 245 245 LEU C C 13 175.236 0.028 . 1 . . . . . 245 Leu C . 27135 1 678 . 1 1 245 245 LEU CA C 13 56.190 0.044 . 1 . . . . . 245 Leu CA . 27135 1 679 . 1 1 245 245 LEU N N 15 130.758 0.106 . 1 . . . . . 245 Leu N . 27135 1 680 . 1 1 246 246 ILE H H 1 8.952 0.024 . 1 . . . . . 246 Ile H . 27135 1 681 . 1 1 246 246 ILE CA C 13 61.352 0.000 . 1 . . . . . 246 Ile CA . 27135 1 682 . 1 1 246 246 ILE N N 15 128.151 0.148 . 1 . . . . . 246 Ile N . 27135 1 683 . 1 1 247 247 SER H H 1 7.728 0.012 . 1 . . . . . 247 Ser H . 27135 1 684 . 1 1 247 247 SER CA C 13 57.855 0.000 . 1 . . . . . 247 Ser CA . 27135 1 685 . 1 1 247 247 SER N N 15 113.570 0.184 . 1 . . . . . 247 Ser N . 27135 1 686 . 1 1 248 248 ILE H H 1 8.635 0.004 . 1 . . . . . 248 Ile H . 27135 1 687 . 1 1 248 248 ILE C C 13 172.802 0.002 . 1 . . . . . 248 Ile C . 27135 1 688 . 1 1 248 248 ILE CA C 13 59.301 0.064 . 1 . . . . . 248 Ile CA . 27135 1 689 . 1 1 248 248 ILE N N 15 123.916 0.213 . 1 . . . . . 248 Ile N . 27135 1 690 . 1 1 249 249 LYS H H 1 9.122 0.021 . 1 . . . . . 249 Lys H . 27135 1 691 . 1 1 249 249 LYS C C 13 174.287 0.004 . 1 . . . . . 249 Lys C . 27135 1 692 . 1 1 249 249 LYS CA C 13 54.777 0.010 . 1 . . . . . 249 Lys CA . 27135 1 693 . 1 1 249 249 LYS N N 15 125.956 0.164 . 1 . . . . . 249 Lys N . 27135 1 694 . 1 1 250 250 ARG H H 1 8.682 0.018 . 1 . . . . . 250 Arg H . 27135 1 695 . 1 1 250 250 ARG C C 13 175.662 0.006 . 1 . . . . . 250 Arg C . 27135 1 696 . 1 1 250 250 ARG CA C 13 54.495 0.000 . 1 . . . . . 250 Arg CA . 27135 1 697 . 1 1 250 250 ARG N N 15 124.929 0.077 . 1 . . . . . 250 Arg N . 27135 1 698 . 1 1 251 251 LEU H H 1 9.288 0.008 . 1 . . . . . 251 Leu H . 27135 1 699 . 1 1 251 251 LEU C C 13 174.821 0.042 . 1 . . . . . 251 Leu C . 27135 1 700 . 1 1 251 251 LEU CA C 13 55.161 0.007 . 1 . . . . . 251 Leu CA . 27135 1 701 . 1 1 251 251 LEU N N 15 124.379 0.056 . 1 . . . . . 251 Leu N . 27135 1 702 . 1 1 252 252 THR H H 1 8.001 0.017 . 1 . . . . . 252 Thr H . 27135 1 703 . 1 1 252 252 THR C C 13 172.777 0.022 . 1 . . . . . 252 Thr C . 27135 1 704 . 1 1 252 252 THR CA C 13 60.524 0.041 . 1 . . . . . 252 Thr CA . 27135 1 705 . 1 1 252 252 THR N N 15 113.159 0.226 . 1 . . . . . 252 Thr N . 27135 1 706 . 1 1 253 253 LEU H H 1 9.221 0.013 . 1 . . . . . 253 Leu H . 27135 1 707 . 1 1 253 253 LEU C C 13 175.640 0.000 . 1 . . . . . 253 Leu C . 27135 1 708 . 1 1 253 253 LEU CA C 13 53.807 0.000 . 1 . . . . . 253 Leu CA . 27135 1 709 . 1 1 253 253 LEU N N 15 124.620 0.105 . 1 . . . . . 253 Leu N . 27135 1 710 . 1 1 257 257 ALA H H 1 8.795 0.007 . 1 . . . . . 257 Ala H . 27135 1 711 . 1 1 257 257 ALA C C 13 174.874 0.001 . 1 . . . . . 257 Ala C . 27135 1 712 . 1 1 257 257 ALA CA C 13 51.650 0.082 . 1 . . . . . 257 Ala CA . 27135 1 713 . 1 1 257 257 ALA N N 15 123.820 0.076 . 1 . . . . . 257 Ala N . 27135 1 714 . 1 1 258 258 LYS H H 1 8.413 0.002 . 1 . . . . . 258 Lys H . 27135 1 715 . 1 1 258 258 LYS C C 13 175.536 0.015 . 1 . . . . . 258 Lys C . 27135 1 716 . 1 1 258 258 LYS CA C 13 54.864 0.066 . 1 . . . . . 258 Lys CA . 27135 1 717 . 1 1 258 258 LYS N N 15 121.126 0.074 . 1 . . . . . 258 Lys N . 27135 1 718 . 1 1 259 259 VAL H H 1 9.456 0.003 . 1 . . . . . 259 Val H . 27135 1 719 . 1 1 259 259 VAL C C 13 172.948 0.025 . 1 . . . . . 259 Val C . 27135 1 720 . 1 1 259 259 VAL CA C 13 60.001 0.006 . 1 . . . . . 259 Val CA . 27135 1 721 . 1 1 259 259 VAL N N 15 124.575 0.092 . 1 . . . . . 259 Val N . 27135 1 722 . 1 1 260 260 LYS H H 1 8.576 0.003 . 1 . . . . . 260 Lys H . 27135 1 723 . 1 1 260 260 LYS C C 13 175.151 0.012 . 1 . . . . . 260 Lys C . 27135 1 724 . 1 1 260 260 LYS CA C 13 54.815 0.023 . 1 . . . . . 260 Lys CA . 27135 1 725 . 1 1 260 260 LYS N N 15 126.923 0.078 . 1 . . . . . 260 Lys N . 27135 1 726 . 1 1 261 261 LEU H H 1 9.301 0.003 . 1 . . . . . 261 Leu H . 27135 1 727 . 1 1 261 261 LEU CA C 13 54.480 0.000 . 1 . . . . . 261 Leu CA . 27135 1 728 . 1 1 261 261 LEU N N 15 127.938 0.079 . 1 . . . . . 261 Leu N . 27135 1 729 . 1 1 262 262 ASP H H 1 8.269 0.008 . 1 . . . . . 262 Asp H . 27135 1 730 . 1 1 262 262 ASP C C 13 175.581 0.006 . 1 . . . . . 262 Asp C . 27135 1 731 . 1 1 262 262 ASP CA C 13 52.174 0.073 . 1 . . . . . 262 Asp CA . 27135 1 732 . 1 1 262 262 ASP N N 15 117.737 0.043 . 1 . . . . . 262 Asp N . 27135 1 733 . 1 1 263 263 PHE H H 1 8.691 0.010 . 1 . . . . . 263 Phe H . 27135 1 734 . 1 1 263 263 PHE C C 13 172.908 0.015 . 1 . . . . . 263 Phe C . 27135 1 735 . 1 1 263 263 PHE CA C 13 56.088 0.015 . 1 . . . . . 263 Phe CA . 27135 1 736 . 1 1 263 263 PHE N N 15 116.620 0.090 . 1 . . . . . 263 Phe N . 27135 1 737 . 1 1 264 264 VAL H H 1 8.547 0.022 . 1 . . . . . 264 Val H . 27135 1 738 . 1 1 264 264 VAL C C 13 175.683 0.008 . 1 . . . . . 264 Val C . 27135 1 739 . 1 1 264 264 VAL CA C 13 61.643 0.034 . 1 . . . . . 264 Val CA . 27135 1 740 . 1 1 264 264 VAL N N 15 121.461 0.115 . 1 . . . . . 264 Val N . 27135 1 741 . 1 1 265 265 ALA H H 1 9.529 0.013 . 1 . . . . . 265 Ala H . 27135 1 742 . 1 1 265 265 ALA C C 13 177.133 0.000 . 1 . . . . . 265 Ala C . 27135 1 743 . 1 1 265 265 ALA CA C 13 50.268 0.000 . 1 . . . . . 265 Ala CA . 27135 1 744 . 1 1 265 265 ALA N N 15 131.154 0.150 . 1 . . . . . 265 Ala N . 27135 1 745 . 1 1 267 267 ALA H H 1 7.707 0.002 . 1 . . . . . 267 Ala H . 27135 1 746 . 1 1 267 267 ALA C C 13 176.653 0.008 . 1 . . . . . 267 Ala C . 27135 1 747 . 1 1 267 267 ALA CA C 13 51.952 0.010 . 1 . . . . . 267 Ala CA . 27135 1 748 . 1 1 267 267 ALA N N 15 118.598 0.072 . 1 . . . . . 267 Ala N . 27135 1 749 . 1 1 268 268 THR H H 1 8.029 0.022 . 1 . . . . . 268 Thr H . 27135 1 750 . 1 1 268 268 THR C C 13 174.496 0.000 . 1 . . . . . 268 Thr C . 27135 1 751 . 1 1 268 268 THR CA C 13 63.104 0.000 . 1 . . . . . 268 Thr CA . 27135 1 752 . 1 1 268 268 THR N N 15 112.852 0.085 . 1 . . . . . 268 Thr N . 27135 1 753 . 1 1 269 269 GLY H H 1 8.945 0.005 . 1 . . . . . 269 Gly H . 27135 1 754 . 1 1 269 269 GLY C C 13 171.861 0.058 . 1 . . . . . 269 Gly C . 27135 1 755 . 1 1 269 269 GLY CA C 13 43.373 0.007 . 1 . . . . . 269 Gly CA . 27135 1 756 . 1 1 269 269 GLY N N 15 114.192 0.061 . 1 . . . . . 269 Gly N . 27135 1 757 . 1 1 270 270 ALA H H 1 8.195 0.020 . 1 . . . . . 270 Ala H . 27135 1 758 . 1 1 270 270 ALA C C 13 178.034 0.000 . 1 . . . . . 270 Ala C . 27135 1 759 . 1 1 270 270 ALA CA C 13 51.315 0.000 . 1 . . . . . 270 Ala CA . 27135 1 760 . 1 1 270 270 ALA N N 15 123.064 0.160 . 1 . . . . . 270 Ala N . 27135 1 761 . 1 1 271 271 HIS H H 1 8.839 0.009 . 1 . . . . . 271 His H . 27135 1 762 . 1 1 271 271 HIS C C 13 173.188 0.000 . 1 . . . . . 271 His C . 27135 1 763 . 1 1 271 271 HIS CA C 13 55.087 0.000 . 1 . . . . . 271 His CA . 27135 1 764 . 1 1 271 271 HIS N N 15 121.838 0.163 . 1 . . . . . 271 His N . 27135 1 765 . 1 1 272 272 ASN H H 1 8.566 0.005 . 1 . . . . . 272 Asn H . 27135 1 766 . 1 1 272 272 ASN C C 13 173.970 0.000 . 1 . . . . . 272 Asn C . 27135 1 767 . 1 1 272 272 ASN CA C 13 52.431 0.000 . 1 . . . . . 272 Asn CA . 27135 1 768 . 1 1 272 272 ASN N N 15 121.443 0.068 . 1 . . . . . 272 Asn N . 27135 1 769 . 1 1 273 273 TYR H H 1 8.804 0.005 . 1 . . . . . 273 Tyr H . 27135 1 770 . 1 1 273 273 TYR C C 13 174.664 0.001 . 1 . . . . . 273 Tyr C . 27135 1 771 . 1 1 273 273 TYR CA C 13 56.405 0.002 . 1 . . . . . 273 Tyr CA . 27135 1 772 . 1 1 273 273 TYR N N 15 123.339 0.069 . 1 . . . . . 273 Tyr N . 27135 1 773 . 1 1 274 274 THR H H 1 9.169 0.011 . 1 . . . . . 274 Thr H . 27135 1 774 . 1 1 274 274 THR C C 13 171.387 0.047 . 1 . . . . . 274 Thr C . 27135 1 775 . 1 1 274 274 THR CA C 13 61.415 0.053 . 1 . . . . . 274 Thr CA . 27135 1 776 . 1 1 274 274 THR N N 15 116.536 0.085 . 1 . . . . . 274 Thr N . 27135 1 777 . 1 1 275 275 LEU H H 1 9.489 0.006 . 1 . . . . . 275 Leu H . 27135 1 778 . 1 1 275 275 LEU CA C 13 52.881 0.012 . 1 . . . . . 275 Leu CA . 27135 1 779 . 1 1 275 275 LEU N N 15 129.802 0.085 . 1 . . . . . 275 Leu N . 27135 1 780 . 1 1 276 276 TYR H H 1 10.046 0.004 . 1 . . . . . 276 Tyr H . 27135 1 781 . 1 1 276 276 TYR C C 13 174.732 0.019 . 1 . . . . . 276 Tyr C . 27135 1 782 . 1 1 276 276 TYR CA C 13 56.238 0.006 . 1 . . . . . 276 Tyr CA . 27135 1 783 . 1 1 276 276 TYR N N 15 124.116 0.070 . 1 . . . . . 276 Tyr N . 27135 1 784 . 1 1 277 277 PHE H H 1 9.357 0.004 . 1 . . . . . 277 Phe H . 27135 1 785 . 1 1 277 277 PHE C C 13 174.413 0.008 . 1 . . . . . 277 Phe C . 27135 1 786 . 1 1 277 277 PHE CA C 13 55.334 0.007 . 1 . . . . . 277 Phe CA . 27135 1 787 . 1 1 277 277 PHE N N 15 125.696 0.072 . 1 . . . . . 277 Phe N . 27135 1 788 . 1 1 278 278 MET H H 1 9.245 0.002 . 1 . . . . . 278 Met H . 27135 1 789 . 1 1 278 278 MET C C 13 175.891 0.020 . 1 . . . . . 278 Met C . 27135 1 790 . 1 1 278 278 MET CA C 13 51.681 0.020 . 1 . . . . . 278 Met CA . 27135 1 791 . 1 1 278 278 MET N N 15 123.359 0.055 . 1 . . . . . 278 Met N . 27135 1 792 . 1 1 279 279 SER H H 1 8.983 0.005 . 1 . . . . . 279 Ser H . 27135 1 793 . 1 1 279 279 SER CA C 13 56.774 0.000 . 1 . . . . . 279 Ser CA . 27135 1 794 . 1 1 279 279 SER N N 15 117.788 0.050 . 1 . . . . . 279 Ser N . 27135 1 795 . 1 1 281 281 ALA H H 1 8.253 0.014 . 1 . . . . . 281 Ala H . 27135 1 796 . 1 1 281 281 ALA C C 13 172.695 0.000 . 1 . . . . . 281 Ala C . 27135 1 797 . 1 1 281 281 ALA CA C 13 52.405 0.000 . 1 . . . . . 281 Ala CA . 27135 1 798 . 1 1 281 281 ALA N N 15 125.906 0.135 . 1 . . . . . 281 Ala N . 27135 1 799 . 1 1 282 282 TYR H H 1 7.960 0.009 . 1 . . . . . 282 Tyr H . 27135 1 800 . 1 1 282 282 TYR C C 13 179.335 0.000 . 1 . . . . . 282 Tyr C . 27135 1 801 . 1 1 282 282 TYR CA C 13 56.166 0.096 . 1 . . . . . 282 Tyr CA . 27135 1 802 . 1 1 282 282 TYR N N 15 113.650 0.129 . 1 . . . . . 282 Tyr N . 27135 1 803 . 1 1 283 283 MET H H 1 9.271 0.002 . 1 . . . . . 283 Met H . 27135 1 804 . 1 1 283 283 MET C C 13 178.543 0.012 . 1 . . . . . 283 Met C . 27135 1 805 . 1 1 283 283 MET CA C 13 55.227 0.005 . 1 . . . . . 283 Met CA . 27135 1 806 . 1 1 283 283 MET N N 15 116.776 0.048 . 1 . . . . . 283 Met N . 27135 1 807 . 1 1 284 284 GLY H H 1 9.294 0.011 . 1 . . . . . 284 Gly H . 27135 1 808 . 1 1 284 284 GLY C C 13 174.874 0.000 . 1 . . . . . 284 Gly C . 27135 1 809 . 1 1 284 284 GLY CA C 13 45.730 0.000 . 1 . . . . . 284 Gly CA . 27135 1 810 . 1 1 284 284 GLY N N 15 115.417 0.065 . 1 . . . . . 284 Gly N . 27135 1 811 . 1 1 285 285 CYS H H 1 9.877 0.014 . 1 . . . . . 285 Cys H . 27135 1 812 . 1 1 285 285 CYS CA C 13 56.170 0.000 . 1 . . . . . 285 Cys CA . 27135 1 813 . 1 1 285 285 CYS N N 15 119.474 0.082 . 1 . . . . . 285 Cys N . 27135 1 814 . 1 1 286 286 ASP H H 1 8.221 0.007 . 1 . . . . . 286 Asp H . 27135 1 815 . 1 1 286 286 ASP CA C 13 55.072 0.009 . 1 . . . . . 286 Asp CA . 27135 1 816 . 1 1 286 286 ASP N N 15 123.669 0.150 . 1 . . . . . 286 Asp N . 27135 1 817 . 1 1 287 287 GLN H H 1 9.633 0.003 . 1 . . . . . 287 Gln H . 27135 1 818 . 1 1 287 287 GLN C C 13 174.430 0.000 . 1 . . . . . 287 Gln C . 27135 1 819 . 1 1 287 287 GLN CA C 13 54.613 0.000 . 1 . . . . . 287 Gln CA . 27135 1 820 . 1 1 287 287 GLN N N 15 119.029 0.050 . 1 . . . . . 287 Gln N . 27135 1 821 . 1 1 288 288 GLU H H 1 8.133 0.004 . 1 . . . . . 288 Glu H . 27135 1 822 . 1 1 288 288 GLU CA C 13 54.512 0.000 . 1 . . . . . 288 Glu CA . 27135 1 823 . 1 1 288 288 GLU N N 15 120.859 0.109 . 1 . . . . . 288 Glu N . 27135 1 824 . 1 1 289 289 TYR H H 1 9.236 0.009 . 1 . . . . . 289 Tyr H . 27135 1 825 . 1 1 289 289 TYR C C 13 174.382 0.000 . 1 . . . . . 289 Tyr C . 27135 1 826 . 1 1 289 289 TYR CA C 13 57.125 0.000 . 1 . . . . . 289 Tyr CA . 27135 1 827 . 1 1 289 289 TYR N N 15 122.418 0.062 . 1 . . . . . 289 Tyr N . 27135 1 828 . 1 1 290 290 LYS H H 1 8.859 0.030 . 1 . . . . . 290 Lys H . 27135 1 829 . 1 1 290 290 LYS C C 13 176.338 0.000 . 1 . . . . . 290 Lys C . 27135 1 830 . 1 1 290 290 LYS CA C 13 55.221 0.000 . 1 . . . . . 290 Lys CA . 27135 1 831 . 1 1 290 290 LYS N N 15 123.094 0.148 . 1 . . . . . 290 Lys N . 27135 1 832 . 1 1 291 291 PHE H H 1 8.916 0.011 . 1 . . . . . 291 Phe H . 27135 1 833 . 1 1 291 291 PHE C C 13 172.343 0.038 . 1 . . . . . 291 Phe C . 27135 1 834 . 1 1 291 291 PHE CA C 13 56.134 0.045 . 1 . . . . . 291 Phe CA . 27135 1 835 . 1 1 291 291 PHE N N 15 119.671 0.109 . 1 . . . . . 291 Phe N . 27135 1 836 . 1 1 292 292 SER H H 1 8.791 0.002 . 1 . . . . . 292 Ser H . 27135 1 837 . 1 1 292 292 SER C C 13 174.103 0.000 . 1 . . . . . 292 Ser C . 27135 1 838 . 1 1 292 292 SER CA C 13 56.225 0.000 . 1 . . . . . 292 Ser CA . 27135 1 839 . 1 1 292 292 SER N N 15 115.586 0.036 . 1 . . . . . 292 Ser N . 27135 1 840 . 1 1 293 293 VAL H H 1 9.007 0.015 . 1 . . . . . 293 Val H . 27135 1 841 . 1 1 293 293 VAL C C 13 174.060 0.000 . 1 . . . . . 293 Val C . 27135 1 842 . 1 1 293 293 VAL CA C 13 60.502 0.000 . 1 . . . . . 293 Val CA . 27135 1 843 . 1 1 293 293 VAL N N 15 120.164 0.044 . 1 . . . . . 293 Val N . 27135 1 844 . 1 1 294 294 ASP H H 1 9.102 0.008 . 1 . . . . . 294 Asp H . 27135 1 845 . 1 1 294 294 ASP C C 13 174.421 0.011 . 1 . . . . . 294 Asp C . 27135 1 846 . 1 1 294 294 ASP CA C 13 53.334 0.085 . 1 . . . . . 294 Asp CA . 27135 1 847 . 1 1 294 294 ASP N N 15 127.368 0.129 . 1 . . . . . 294 Asp N . 27135 1 848 . 1 1 295 295 VAL H H 1 8.841 0.023 . 1 . . . . . 295 Val H . 27135 1 849 . 1 1 295 295 VAL C C 13 177.046 0.005 . 1 . . . . . 295 Val C . 27135 1 850 . 1 1 295 295 VAL CA C 13 62.385 0.052 . 1 . . . . . 295 Val CA . 27135 1 851 . 1 1 295 295 VAL N N 15 125.864 0.176 . 1 . . . . . 295 Val N . 27135 1 852 . 1 1 296 296 LYS H H 1 9.060 0.006 . 1 . . . . . 296 Lys H . 27135 1 853 . 1 1 296 296 LYS C C 13 175.778 0.016 . 1 . . . . . 296 Lys C . 27135 1 854 . 1 1 296 296 LYS CA C 13 55.677 0.030 . 1 . . . . . 296 Lys CA . 27135 1 855 . 1 1 296 296 LYS N N 15 130.635 0.108 . 1 . . . . . 296 Lys N . 27135 1 856 . 1 1 297 297 GLU H H 1 8.701 0.006 . 1 . . . . . 297 Glu H . 27135 1 857 . 1 1 297 297 GLU C C 13 176.370 0.012 . 1 . . . . . 297 Glu C . 27135 1 858 . 1 1 297 297 GLU CA C 13 56.443 0.034 . 1 . . . . . 297 Glu CA . 27135 1 859 . 1 1 297 297 GLU N N 15 120.231 0.052 . 1 . . . . . 297 Glu N . 27135 1 860 . 1 1 298 298 ALA H H 1 8.630 0.001 . 1 . . . . . 298 Ala H . 27135 1 861 . 1 1 298 298 ALA C C 13 178.085 0.009 . 1 . . . . . 298 Ala C . 27135 1 862 . 1 1 298 298 ALA CA C 13 52.404 0.013 . 1 . . . . . 298 Ala CA . 27135 1 863 . 1 1 298 298 ALA CB C 13 18.621 0.000 . 1 . . . . . 298 Ala CB . 27135 1 864 . 1 1 298 298 ALA N N 15 124.263 0.025 . 1 . . . . . 298 Ala N . 27135 1 865 . 1 1 299 299 GLU H H 1 8.721 0.021 . 1 . . . . . 299 Glu H . 27135 1 866 . 1 1 299 299 GLU C C 13 176.747 0.019 . 1 . . . . . 299 Glu C . 27135 1 867 . 1 1 299 299 GLU CA C 13 56.271 0.024 . 1 . . . . . 299 Glu CA . 27135 1 868 . 1 1 299 299 GLU CB C 13 29.725 0.000 . 1 . . . . . 299 Glu CB . 27135 1 869 . 1 1 299 299 GLU N N 15 120.957 0.063 . 1 . . . . . 299 Glu N . 27135 1 870 . 1 1 300 300 THR H H 1 8.345 0.020 . 1 . . . . . 300 Thr H . 27135 1 871 . 1 1 300 300 THR C C 13 174.391 0.024 . 1 . . . . . 300 Thr C . 27135 1 872 . 1 1 300 300 THR CA C 13 61.170 0.028 . 1 . . . . . 300 Thr CA . 27135 1 873 . 1 1 300 300 THR CB C 13 69.199 0.000 . 1 . . . . . 300 Thr CB . 27135 1 874 . 1 1 300 300 THR N N 15 115.628 0.167 . 1 . . . . . 300 Thr N . 27135 1 875 . 1 1 301 301 ASP H H 1 8.524 0.004 . 1 . . . . . 301 Asp H . 27135 1 876 . 1 1 301 301 ASP C C 13 176.405 0.008 . 1 . . . . . 301 Asp C . 27135 1 877 . 1 1 301 301 ASP CA C 13 54.098 0.022 . 1 . . . . . 301 Asp CA . 27135 1 878 . 1 1 301 301 ASP CB C 13 40.632 0.000 . 1 . . . . . 301 Asp CB . 27135 1 879 . 1 1 301 301 ASP N N 15 123.200 0.073 . 1 . . . . . 301 Asp N . 27135 1 880 . 1 1 302 302 SER H H 1 8.382 0.030 . 1 . . . . . 302 Ser H . 27135 1 881 . 1 1 302 302 SER C C 13 174.542 0.027 . 1 . . . . . 302 Ser C . 27135 1 882 . 1 1 302 302 SER CA C 13 58.072 0.028 . 1 . . . . . 302 Ser CA . 27135 1 883 . 1 1 302 302 SER CB C 13 63.135 0.000 . 1 . . . . . 302 Ser CB . 27135 1 884 . 1 1 302 302 SER N N 15 116.404 0.196 . 1 . . . . . 302 Ser N . 27135 1 885 . 1 1 303 303 ASP H H 1 8.506 0.014 . 1 . . . . . 303 Asp H . 27135 1 886 . 1 1 303 303 ASP C C 13 176.308 0.037 . 1 . . . . . 303 Asp C . 27135 1 887 . 1 1 303 303 ASP CA C 13 54.246 0.020 . 1 . . . . . 303 Asp CA . 27135 1 888 . 1 1 303 303 ASP N N 15 123.049 0.154 . 1 . . . . . 303 Asp N . 27135 1 889 . 1 1 304 304 SER H H 1 8.241 0.020 . 1 . . . . . 304 Ser H . 27135 1 890 . 1 1 304 304 SER C C 13 173.669 0.038 . 1 . . . . . 304 Ser C . 27135 1 891 . 1 1 304 304 SER CA C 13 57.909 0.024 . 1 . . . . . 304 Ser CA . 27135 1 892 . 1 1 304 304 SER CB C 13 63.457 0.000 . 1 . . . . . 304 Ser CB . 27135 1 893 . 1 1 304 304 SER N N 15 115.904 0.169 . 1 . . . . . 304 Ser N . 27135 1 894 . 1 1 305 305 ASP H H 1 8.102 0.025 . 1 . . . . . 305 Asp H . 27135 1 895 . 1 1 305 305 ASP C C 13 181.197 0.000 . 1 . . . . . 305 Asp C . 27135 1 896 . 1 1 305 305 ASP CA C 13 55.836 0.000 . 1 . . . . . 305 Asp CA . 27135 1 897 . 1 1 305 305 ASP CB C 13 41.611 0.000 . 1 . . . . . 305 Asp CB . 27135 1 898 . 1 1 305 305 ASP N N 15 128.137 0.162 . 1 . . . . . 305 Asp N . 27135 1 stop_ save_