data_27285 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27285 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for VSV8 peptide bound to MHC H-2Kb (VSV8/Kb) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-18 _Entry.Accession_date 2017-10-18 _Entry.Last_release_date 2017-10-18 _Entry.Original_release_date 2017-10-18 _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 'Assignment of extracellular domain of H-2Kb heavy subunit within VSV8/H-2Kb/b2m heterotrimeric complex.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Robert Mallis . J. . . 27285 2 Haribabu Arthanari . . . . 27285 3 Matt Lang . J. . . 27285 4 Ellis Reinherz . L. . . 27285 5 Gerhard Wagner . . . . 27285 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 27285 '15N chemical shifts' 196 27285 '1H chemical shifts' 196 27285 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-28 2017-10-18 update BMRB 'update entry citation' 27285 1 . . 2017-12-14 2017-10-18 original author 'original release' 27285 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27286 'VSV8 peptide bound to a truncated MHC H-2Kb (VSV8/Kb-t)' 27285 PDB 1KPU 'X-ray crystal structure of VSV8/Kb/b2m heterotrimeric complex.' 27285 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27285 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29101227 _Citation.Full_citation . _Citation.Title ; NMR-Directed Design of PreTCRbeta and pMHC Molecules Implies a Distinct Geometry for preTCR Relative to alphabetaTCR Recognition of pMHC ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 293 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 754 _Citation.Page_last 766 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert Mallis . J. . . 27285 1 2 Haribabu Arthanari . . . . 27285 1 3 Matt Lang . J. . . 27285 1 4 Ellis Reinherz . L. . . 27285 1 5 Gerhard Wagner . . . . 27285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27285 _Assembly.ID 1 _Assembly.Name 'H-2Kb heavy subunit within VSV8/H-2Kb/b2m heterotrimeric complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 44122 _Assembly.Enzyme_commission_number . _Assembly.Details 'Peptide Major Histocompatibility Complex Molecule' _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 H-2Kb 1 $H-2Kb A . yes native no no . . . 27285 1 2 VSV8 2 $VSV8 B . no native no no . . . 27285 1 3 b2m 3 $b2m C . no native no no . . . 27285 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 165 165 SG . . . . . . . . . . . . 27285 1 2 disulfide single . 1 . 1 CYS 204 204 SG . 1 . 1 CYS 260 260 SG . . . . . . . . . . . . 27285 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1KPU . . X-ray . 'Structure of this molecular assembly' . 27285 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Presents self or heterologous peptides on cell surface for immune surveillance.' 27285 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H-2Kb _Entity.Sf_category entity _Entity.Sf_framecode H-2Kb _Entity.Entry_ID 27285 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H-2Kb _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGPHSLRYFVTAVSRPGLGE PRYMEVGYVDDTEFVRFDSD AENPRYEPRARWMEQEGPEY WERETQKAKGNEQSFRVDLR TLLGYYNQSKGGSHTIQVIS GCEVGSDGRLLRGYQQYAYD GCDYIALNEDLKTWTAADMA ALITKHKWEQAGEAERLRAY LEGTCVEWLRRYLKNGNATL LRTDSPKAHVTHHSRPEDKV TLRCWALGFYPADITLTWQL NGEELIQDMELVETRPAGDG TFQKWASVVVPLGKEQYYTC HVYHQGLPEPLTLRWEPPPS T ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 281 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'MHC heavy chain ectodomain fragment' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 32348.20 _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 'Peptide binding subunit of immunological peptide presentation complex.' 27285 1 'subunit of immunological peptide presentation complex' 27285 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 0 MET . 27285 1 2 1 GLY . 27285 1 3 2 PRO . 27285 1 4 3 HIS . 27285 1 5 4 SER . 27285 1 6 5 LEU . 27285 1 7 6 ARG . 27285 1 8 7 TYR . 27285 1 9 8 PHE . 27285 1 10 9 VAL . 27285 1 11 10 THR . 27285 1 12 11 ALA . 27285 1 13 12 VAL . 27285 1 14 13 SER . 27285 1 15 14 ARG . 27285 1 16 15 PRO . 27285 1 17 16 GLY . 27285 1 18 17 LEU . 27285 1 19 18 GLY . 27285 1 20 19 GLU . 27285 1 21 20 PRO . 27285 1 22 21 ARG . 27285 1 23 22 TYR . 27285 1 24 23 MET . 27285 1 25 24 GLU . 27285 1 26 25 VAL . 27285 1 27 26 GLY . 27285 1 28 27 TYR . 27285 1 29 28 VAL . 27285 1 30 29 ASP . 27285 1 31 30 ASP . 27285 1 32 31 THR . 27285 1 33 32 GLU . 27285 1 34 33 PHE . 27285 1 35 34 VAL . 27285 1 36 35 ARG . 27285 1 37 36 PHE . 27285 1 38 37 ASP . 27285 1 39 38 SER . 27285 1 40 39 ASP . 27285 1 41 40 ALA . 27285 1 42 41 GLU . 27285 1 43 42 ASN . 27285 1 44 43 PRO . 27285 1 45 44 ARG . 27285 1 46 45 TYR . 27285 1 47 46 GLU . 27285 1 48 47 PRO . 27285 1 49 48 ARG . 27285 1 50 49 ALA . 27285 1 51 50 ARG . 27285 1 52 51 TRP . 27285 1 53 52 MET . 27285 1 54 53 GLU . 27285 1 55 54 GLN . 27285 1 56 55 GLU . 27285 1 57 56 GLY . 27285 1 58 57 PRO . 27285 1 59 58 GLU . 27285 1 60 59 TYR . 27285 1 61 60 TRP . 27285 1 62 61 GLU . 27285 1 63 62 ARG . 27285 1 64 63 GLU . 27285 1 65 64 THR . 27285 1 66 65 GLN . 27285 1 67 66 LYS . 27285 1 68 67 ALA . 27285 1 69 68 LYS . 27285 1 70 69 GLY . 27285 1 71 70 ASN . 27285 1 72 71 GLU . 27285 1 73 72 GLN . 27285 1 74 73 SER . 27285 1 75 74 PHE . 27285 1 76 75 ARG . 27285 1 77 76 VAL . 27285 1 78 77 ASP . 27285 1 79 78 LEU . 27285 1 80 79 ARG . 27285 1 81 80 THR . 27285 1 82 81 LEU . 27285 1 83 82 LEU . 27285 1 84 83 GLY . 27285 1 85 84 TYR . 27285 1 86 85 TYR . 27285 1 87 86 ASN . 27285 1 88 87 GLN . 27285 1 89 88 SER . 27285 1 90 89 LYS . 27285 1 91 90 GLY . 27285 1 92 91 GLY . 27285 1 93 92 SER . 27285 1 94 93 HIS . 27285 1 95 94 THR . 27285 1 96 95 ILE . 27285 1 97 96 GLN . 27285 1 98 97 VAL . 27285 1 99 98 ILE . 27285 1 100 99 SER . 27285 1 101 100 GLY . 27285 1 102 101 CYS . 27285 1 103 102 GLU . 27285 1 104 103 VAL . 27285 1 105 104 GLY . 27285 1 106 105 SER . 27285 1 107 106 ASP . 27285 1 108 107 GLY . 27285 1 109 108 ARG . 27285 1 110 109 LEU . 27285 1 111 110 LEU . 27285 1 112 111 ARG . 27285 1 113 112 GLY . 27285 1 114 113 TYR . 27285 1 115 114 GLN . 27285 1 116 115 GLN . 27285 1 117 116 TYR . 27285 1 118 117 ALA . 27285 1 119 118 TYR . 27285 1 120 119 ASP . 27285 1 121 120 GLY . 27285 1 122 121 CYS . 27285 1 123 122 ASP . 27285 1 124 123 TYR . 27285 1 125 124 ILE . 27285 1 126 125 ALA . 27285 1 127 126 LEU . 27285 1 128 127 ASN . 27285 1 129 128 GLU . 27285 1 130 129 ASP . 27285 1 131 130 LEU . 27285 1 132 131 LYS . 27285 1 133 132 THR . 27285 1 134 133 TRP . 27285 1 135 134 THR . 27285 1 136 135 ALA . 27285 1 137 136 ALA . 27285 1 138 137 ASP . 27285 1 139 138 MET . 27285 1 140 139 ALA . 27285 1 141 140 ALA . 27285 1 142 141 LEU . 27285 1 143 142 ILE . 27285 1 144 143 THR . 27285 1 145 144 LYS . 27285 1 146 145 HIS . 27285 1 147 146 LYS . 27285 1 148 147 TRP . 27285 1 149 148 GLU . 27285 1 150 149 GLN . 27285 1 151 150 ALA . 27285 1 152 151 GLY . 27285 1 153 152 GLU . 27285 1 154 153 ALA . 27285 1 155 154 GLU . 27285 1 156 155 ARG . 27285 1 157 156 LEU . 27285 1 158 157 ARG . 27285 1 159 158 ALA . 27285 1 160 159 TYR . 27285 1 161 160 LEU . 27285 1 162 161 GLU . 27285 1 163 162 GLY . 27285 1 164 163 THR . 27285 1 165 164 CYS . 27285 1 166 165 VAL . 27285 1 167 166 GLU . 27285 1 168 167 TRP . 27285 1 169 168 LEU . 27285 1 170 169 ARG . 27285 1 171 170 ARG . 27285 1 172 171 TYR . 27285 1 173 172 LEU . 27285 1 174 173 LYS . 27285 1 175 174 ASN . 27285 1 176 175 GLY . 27285 1 177 176 ASN . 27285 1 178 177 ALA . 27285 1 179 178 THR . 27285 1 180 179 LEU . 27285 1 181 180 LEU . 27285 1 182 181 ARG . 27285 1 183 182 THR . 27285 1 184 183 ASP . 27285 1 185 184 SER . 27285 1 186 185 PRO . 27285 1 187 186 LYS . 27285 1 188 187 ALA . 27285 1 189 188 HIS . 27285 1 190 189 VAL . 27285 1 191 190 THR . 27285 1 192 191 HIS . 27285 1 193 192 HIS . 27285 1 194 193 SER . 27285 1 195 194 ARG . 27285 1 196 195 PRO . 27285 1 197 196 GLU . 27285 1 198 197 ASP . 27285 1 199 198 LYS . 27285 1 200 199 VAL . 27285 1 201 200 THR . 27285 1 202 201 LEU . 27285 1 203 202 ARG . 27285 1 204 203 CYS . 27285 1 205 204 TRP . 27285 1 206 205 ALA . 27285 1 207 206 LEU . 27285 1 208 207 GLY . 27285 1 209 208 PHE . 27285 1 210 209 TYR . 27285 1 211 210 PRO . 27285 1 212 211 ALA . 27285 1 213 212 ASP . 27285 1 214 213 ILE . 27285 1 215 214 THR . 27285 1 216 215 LEU . 27285 1 217 216 THR . 27285 1 218 217 TRP . 27285 1 219 218 GLN . 27285 1 220 219 LEU . 27285 1 221 220 ASN . 27285 1 222 221 GLY . 27285 1 223 222 GLU . 27285 1 224 223 GLU . 27285 1 225 224 LEU . 27285 1 226 225 ILE . 27285 1 227 226 GLN . 27285 1 228 227 ASP . 27285 1 229 228 MET . 27285 1 230 229 GLU . 27285 1 231 230 LEU . 27285 1 232 231 VAL . 27285 1 233 232 GLU . 27285 1 234 233 THR . 27285 1 235 234 ARG . 27285 1 236 235 PRO . 27285 1 237 236 ALA . 27285 1 238 237 GLY . 27285 1 239 238 ASP . 27285 1 240 239 GLY . 27285 1 241 240 THR . 27285 1 242 241 PHE . 27285 1 243 242 GLN . 27285 1 244 243 LYS . 27285 1 245 244 TRP . 27285 1 246 245 ALA . 27285 1 247 246 SER . 27285 1 248 247 VAL . 27285 1 249 248 VAL . 27285 1 250 249 VAL . 27285 1 251 250 PRO . 27285 1 252 251 LEU . 27285 1 253 252 GLY . 27285 1 254 253 LYS . 27285 1 255 254 GLU . 27285 1 256 255 GLN . 27285 1 257 256 TYR . 27285 1 258 257 TYR . 27285 1 259 258 THR . 27285 1 260 259 CYS . 27285 1 261 260 HIS . 27285 1 262 261 VAL . 27285 1 263 262 TYR . 27285 1 264 263 HIS . 27285 1 265 264 GLN . 27285 1 266 265 GLY . 27285 1 267 266 LEU . 27285 1 268 267 PRO . 27285 1 269 268 GLU . 27285 1 270 269 PRO . 27285 1 271 270 LEU . 27285 1 272 271 THR . 27285 1 273 272 LEU . 27285 1 274 273 ARG . 27285 1 275 274 TRP . 27285 1 276 275 GLU . 27285 1 277 276 PRO . 27285 1 278 277 PRO . 27285 1 279 278 PRO . 27285 1 280 279 SER . 27285 1 281 280 THR . 27285 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27285 1 . GLY 2 2 27285 1 . PRO 3 3 27285 1 . HIS 4 4 27285 1 . SER 5 5 27285 1 . LEU 6 6 27285 1 . ARG 7 7 27285 1 . TYR 8 8 27285 1 . PHE 9 9 27285 1 . VAL 10 10 27285 1 . THR 11 11 27285 1 . ALA 12 12 27285 1 . VAL 13 13 27285 1 . SER 14 14 27285 1 . ARG 15 15 27285 1 . PRO 16 16 27285 1 . GLY 17 17 27285 1 . LEU 18 18 27285 1 . GLY 19 19 27285 1 . GLU 20 20 27285 1 . PRO 21 21 27285 1 . ARG 22 22 27285 1 . TYR 23 23 27285 1 . MET 24 24 27285 1 . GLU 25 25 27285 1 . VAL 26 26 27285 1 . GLY 27 27 27285 1 . TYR 28 28 27285 1 . VAL 29 29 27285 1 . ASP 30 30 27285 1 . ASP 31 31 27285 1 . THR 32 32 27285 1 . GLU 33 33 27285 1 . PHE 34 34 27285 1 . VAL 35 35 27285 1 . ARG 36 36 27285 1 . PHE 37 37 27285 1 . ASP 38 38 27285 1 . SER 39 39 27285 1 . ASP 40 40 27285 1 . ALA 41 41 27285 1 . GLU 42 42 27285 1 . ASN 43 43 27285 1 . PRO 44 44 27285 1 . ARG 45 45 27285 1 . TYR 46 46 27285 1 . GLU 47 47 27285 1 . PRO 48 48 27285 1 . ARG 49 49 27285 1 . ALA 50 50 27285 1 . ARG 51 51 27285 1 . TRP 52 52 27285 1 . MET 53 53 27285 1 . GLU 54 54 27285 1 . GLN 55 55 27285 1 . GLU 56 56 27285 1 . GLY 57 57 27285 1 . PRO 58 58 27285 1 . GLU 59 59 27285 1 . TYR 60 60 27285 1 . TRP 61 61 27285 1 . GLU 62 62 27285 1 . ARG 63 63 27285 1 . GLU 64 64 27285 1 . THR 65 65 27285 1 . GLN 66 66 27285 1 . LYS 67 67 27285 1 . ALA 68 68 27285 1 . LYS 69 69 27285 1 . GLY 70 70 27285 1 . ASN 71 71 27285 1 . GLU 72 72 27285 1 . GLN 73 73 27285 1 . SER 74 74 27285 1 . PHE 75 75 27285 1 . ARG 76 76 27285 1 . VAL 77 77 27285 1 . ASP 78 78 27285 1 . LEU 79 79 27285 1 . ARG 80 80 27285 1 . THR 81 81 27285 1 . LEU 82 82 27285 1 . LEU 83 83 27285 1 . GLY 84 84 27285 1 . TYR 85 85 27285 1 . TYR 86 86 27285 1 . ASN 87 87 27285 1 . GLN 88 88 27285 1 . SER 89 89 27285 1 . LYS 90 90 27285 1 . GLY 91 91 27285 1 . GLY 92 92 27285 1 . SER 93 93 27285 1 . HIS 94 94 27285 1 . THR 95 95 27285 1 . ILE 96 96 27285 1 . GLN 97 97 27285 1 . VAL 98 98 27285 1 . ILE 99 99 27285 1 . SER 100 100 27285 1 . GLY 101 101 27285 1 . CYS 102 102 27285 1 . GLU 103 103 27285 1 . VAL 104 104 27285 1 . GLY 105 105 27285 1 . SER 106 106 27285 1 . ASP 107 107 27285 1 . GLY 108 108 27285 1 . ARG 109 109 27285 1 . LEU 110 110 27285 1 . LEU 111 111 27285 1 . ARG 112 112 27285 1 . GLY 113 113 27285 1 . TYR 114 114 27285 1 . GLN 115 115 27285 1 . GLN 116 116 27285 1 . TYR 117 117 27285 1 . ALA 118 118 27285 1 . TYR 119 119 27285 1 . ASP 120 120 27285 1 . GLY 121 121 27285 1 . CYS 122 122 27285 1 . ASP 123 123 27285 1 . TYR 124 124 27285 1 . ILE 125 125 27285 1 . ALA 126 126 27285 1 . LEU 127 127 27285 1 . ASN 128 128 27285 1 . GLU 129 129 27285 1 . ASP 130 130 27285 1 . LEU 131 131 27285 1 . LYS 132 132 27285 1 . THR 133 133 27285 1 . TRP 134 134 27285 1 . THR 135 135 27285 1 . ALA 136 136 27285 1 . ALA 137 137 27285 1 . ASP 138 138 27285 1 . MET 139 139 27285 1 . ALA 140 140 27285 1 . ALA 141 141 27285 1 . LEU 142 142 27285 1 . ILE 143 143 27285 1 . THR 144 144 27285 1 . LYS 145 145 27285 1 . HIS 146 146 27285 1 . LYS 147 147 27285 1 . TRP 148 148 27285 1 . GLU 149 149 27285 1 . GLN 150 150 27285 1 . ALA 151 151 27285 1 . GLY 152 152 27285 1 . GLU 153 153 27285 1 . ALA 154 154 27285 1 . GLU 155 155 27285 1 . ARG 156 156 27285 1 . LEU 157 157 27285 1 . ARG 158 158 27285 1 . ALA 159 159 27285 1 . TYR 160 160 27285 1 . LEU 161 161 27285 1 . GLU 162 162 27285 1 . GLY 163 163 27285 1 . THR 164 164 27285 1 . CYS 165 165 27285 1 . VAL 166 166 27285 1 . GLU 167 167 27285 1 . TRP 168 168 27285 1 . LEU 169 169 27285 1 . ARG 170 170 27285 1 . ARG 171 171 27285 1 . TYR 172 172 27285 1 . LEU 173 173 27285 1 . LYS 174 174 27285 1 . ASN 175 175 27285 1 . GLY 176 176 27285 1 . ASN 177 177 27285 1 . ALA 178 178 27285 1 . THR 179 179 27285 1 . LEU 180 180 27285 1 . LEU 181 181 27285 1 . ARG 182 182 27285 1 . THR 183 183 27285 1 . ASP 184 184 27285 1 . SER 185 185 27285 1 . PRO 186 186 27285 1 . LYS 187 187 27285 1 . ALA 188 188 27285 1 . HIS 189 189 27285 1 . VAL 190 190 27285 1 . THR 191 191 27285 1 . HIS 192 192 27285 1 . HIS 193 193 27285 1 . SER 194 194 27285 1 . ARG 195 195 27285 1 . PRO 196 196 27285 1 . GLU 197 197 27285 1 . ASP 198 198 27285 1 . LYS 199 199 27285 1 . VAL 200 200 27285 1 . THR 201 201 27285 1 . LEU 202 202 27285 1 . ARG 203 203 27285 1 . CYS 204 204 27285 1 . TRP 205 205 27285 1 . ALA 206 206 27285 1 . LEU 207 207 27285 1 . GLY 208 208 27285 1 . PHE 209 209 27285 1 . TYR 210 210 27285 1 . PRO 211 211 27285 1 . ALA 212 212 27285 1 . ASP 213 213 27285 1 . ILE 214 214 27285 1 . THR 215 215 27285 1 . LEU 216 216 27285 1 . THR 217 217 27285 1 . TRP 218 218 27285 1 . GLN 219 219 27285 1 . LEU 220 220 27285 1 . ASN 221 221 27285 1 . GLY 222 222 27285 1 . GLU 223 223 27285 1 . GLU 224 224 27285 1 . LEU 225 225 27285 1 . ILE 226 226 27285 1 . GLN 227 227 27285 1 . ASP 228 228 27285 1 . MET 229 229 27285 1 . GLU 230 230 27285 1 . LEU 231 231 27285 1 . VAL 232 232 27285 1 . GLU 233 233 27285 1 . THR 234 234 27285 1 . ARG 235 235 27285 1 . PRO 236 236 27285 1 . ALA 237 237 27285 1 . GLY 238 238 27285 1 . ASP 239 239 27285 1 . GLY 240 240 27285 1 . THR 241 241 27285 1 . PHE 242 242 27285 1 . GLN 243 243 27285 1 . LYS 244 244 27285 1 . TRP 245 245 27285 1 . ALA 246 246 27285 1 . SER 247 247 27285 1 . VAL 248 248 27285 1 . VAL 249 249 27285 1 . VAL 250 250 27285 1 . PRO 251 251 27285 1 . LEU 252 252 27285 1 . GLY 253 253 27285 1 . LYS 254 254 27285 1 . GLU 255 255 27285 1 . GLN 256 256 27285 1 . TYR 257 257 27285 1 . TYR 258 258 27285 1 . THR 259 259 27285 1 . CYS 260 260 27285 1 . HIS 261 261 27285 1 . VAL 262 262 27285 1 . TYR 263 263 27285 1 . HIS 264 264 27285 1 . GLN 265 265 27285 1 . GLY 266 266 27285 1 . LEU 267 267 27285 1 . PRO 268 268 27285 1 . GLU 269 269 27285 1 . PRO 270 270 27285 1 . LEU 271 271 27285 1 . THR 272 272 27285 1 . LEU 273 273 27285 1 . ARG 274 274 27285 1 . TRP 275 275 27285 1 . GLU 276 276 27285 1 . PRO 277 277 27285 1 . PRO 278 278 27285 1 . PRO 279 279 27285 1 . SER 280 280 27285 1 . THR 281 281 27285 1 stop_ save_ save_VSV8 _Entity.Sf_category entity _Entity.Sf_framecode VSV8 _Entity.Entry_ID 27285 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name VSV8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RGYVYQGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 27285 2 2 . GLY . 27285 2 3 . TYR . 27285 2 4 . VAL . 27285 2 5 . TYR . 27285 2 6 . GLN . 27285 2 7 . GLY . 27285 2 8 . LEU . 27285 2 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 . ARG 1 1 27285 2 . GLY 2 2 27285 2 . TYR 3 3 27285 2 . VAL 4 4 27285 2 . TYR 5 5 27285 2 . GLN 6 6 27285 2 . GLY 7 7 27285 2 . LEU 8 8 27285 2 stop_ save_ save_b2m _Entity.Sf_category entity _Entity.Sf_framecode b2m _Entity.Entry_ID 27285 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name b2m _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; IQKTPQIQVYSRHPPENGKP NILNCYVTQFHPPHIEIQML KNGKKIPKVEMSDMSFSKDW SFYILAHTEFTPTETDTYAC RVKHDSMAEPKTVYWDRDM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ILE . 27285 3 2 . GLN . 27285 3 3 . LYS . 27285 3 4 . THR . 27285 3 5 . PRO . 27285 3 6 . GLN . 27285 3 7 . ILE . 27285 3 8 . GLN . 27285 3 9 . VAL . 27285 3 10 . TYR . 27285 3 11 . SER . 27285 3 12 . ARG . 27285 3 13 . HIS . 27285 3 14 . PRO . 27285 3 15 . PRO . 27285 3 16 . GLU . 27285 3 17 . ASN . 27285 3 18 . GLY . 27285 3 19 . LYS . 27285 3 20 . PRO . 27285 3 21 . ASN . 27285 3 22 . ILE . 27285 3 23 . LEU . 27285 3 24 . ASN . 27285 3 25 . CYS . 27285 3 26 . TYR . 27285 3 27 . VAL . 27285 3 28 . THR . 27285 3 29 . GLN . 27285 3 30 . PHE . 27285 3 31 . HIS . 27285 3 32 . PRO . 27285 3 33 . PRO . 27285 3 34 . HIS . 27285 3 35 . ILE . 27285 3 36 . GLU . 27285 3 37 . ILE . 27285 3 38 . GLN . 27285 3 39 . MET . 27285 3 40 . LEU . 27285 3 41 . LYS . 27285 3 42 . ASN . 27285 3 43 . GLY . 27285 3 44 . LYS . 27285 3 45 . LYS . 27285 3 46 . ILE . 27285 3 47 . PRO . 27285 3 48 . LYS . 27285 3 49 . VAL . 27285 3 50 . GLU . 27285 3 51 . MET . 27285 3 52 . SER . 27285 3 53 . ASP . 27285 3 54 . MET . 27285 3 55 . SER . 27285 3 56 . PHE . 27285 3 57 . SER . 27285 3 58 . LYS . 27285 3 59 . ASP . 27285 3 60 . TRP . 27285 3 61 . SER . 27285 3 62 . PHE . 27285 3 63 . TYR . 27285 3 64 . ILE . 27285 3 65 . LEU . 27285 3 66 . ALA . 27285 3 67 . HIS . 27285 3 68 . THR . 27285 3 69 . GLU . 27285 3 70 . PHE . 27285 3 71 . THR . 27285 3 72 . PRO . 27285 3 73 . THR . 27285 3 74 . GLU . 27285 3 75 . THR . 27285 3 76 . ASP . 27285 3 77 . THR . 27285 3 78 . TYR . 27285 3 79 . ALA . 27285 3 80 . CYS . 27285 3 81 . ARG . 27285 3 82 . VAL . 27285 3 83 . LYS . 27285 3 84 . HIS . 27285 3 85 . ASP . 27285 3 86 . SER . 27285 3 87 . MET . 27285 3 88 . ALA . 27285 3 89 . GLU . 27285 3 90 . PRO . 27285 3 91 . LYS . 27285 3 92 . THR . 27285 3 93 . VAL . 27285 3 94 . TYR . 27285 3 95 . TRP . 27285 3 96 . ASP . 27285 3 97 . ARG . 27285 3 98 . ASP . 27285 3 99 . MET . 27285 3 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 . ILE 1 1 27285 3 . GLN 2 2 27285 3 . LYS 3 3 27285 3 . THR 4 4 27285 3 . PRO 5 5 27285 3 . GLN 6 6 27285 3 . ILE 7 7 27285 3 . GLN 8 8 27285 3 . VAL 9 9 27285 3 . TYR 10 10 27285 3 . SER 11 11 27285 3 . ARG 12 12 27285 3 . HIS 13 13 27285 3 . PRO 14 14 27285 3 . PRO 15 15 27285 3 . GLU 16 16 27285 3 . ASN 17 17 27285 3 . GLY 18 18 27285 3 . LYS 19 19 27285 3 . PRO 20 20 27285 3 . ASN 21 21 27285 3 . ILE 22 22 27285 3 . LEU 23 23 27285 3 . ASN 24 24 27285 3 . CYS 25 25 27285 3 . TYR 26 26 27285 3 . VAL 27 27 27285 3 . THR 28 28 27285 3 . GLN 29 29 27285 3 . PHE 30 30 27285 3 . HIS 31 31 27285 3 . PRO 32 32 27285 3 . PRO 33 33 27285 3 . HIS 34 34 27285 3 . ILE 35 35 27285 3 . GLU 36 36 27285 3 . ILE 37 37 27285 3 . GLN 38 38 27285 3 . MET 39 39 27285 3 . LEU 40 40 27285 3 . LYS 41 41 27285 3 . ASN 42 42 27285 3 . GLY 43 43 27285 3 . LYS 44 44 27285 3 . LYS 45 45 27285 3 . ILE 46 46 27285 3 . PRO 47 47 27285 3 . LYS 48 48 27285 3 . VAL 49 49 27285 3 . GLU 50 50 27285 3 . MET 51 51 27285 3 . SER 52 52 27285 3 . ASP 53 53 27285 3 . MET 54 54 27285 3 . SER 55 55 27285 3 . PHE 56 56 27285 3 . SER 57 57 27285 3 . LYS 58 58 27285 3 . ASP 59 59 27285 3 . TRP 60 60 27285 3 . SER 61 61 27285 3 . PHE 62 62 27285 3 . TYR 63 63 27285 3 . ILE 64 64 27285 3 . LEU 65 65 27285 3 . ALA 66 66 27285 3 . HIS 67 67 27285 3 . THR 68 68 27285 3 . GLU 69 69 27285 3 . PHE 70 70 27285 3 . THR 71 71 27285 3 . PRO 72 72 27285 3 . THR 73 73 27285 3 . GLU 74 74 27285 3 . THR 75 75 27285 3 . ASP 76 76 27285 3 . THR 77 77 27285 3 . TYR 78 78 27285 3 . ALA 79 79 27285 3 . CYS 80 80 27285 3 . ARG 81 81 27285 3 . VAL 82 82 27285 3 . LYS 83 83 27285 3 . HIS 84 84 27285 3 . ASP 85 85 27285 3 . SER 86 86 27285 3 . MET 87 87 27285 3 . ALA 88 88 27285 3 . GLU 89 89 27285 3 . PRO 90 90 27285 3 . LYS 91 91 27285 3 . THR 92 92 27285 3 . VAL 93 93 27285 3 . TYR 94 94 27285 3 . TRP 95 95 27285 3 . ASP 96 96 27285 3 . ARG 97 97 27285 3 . ASP 98 98 27285 3 . MET 99 99 27285 3 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 27285 _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 $H-2Kb . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus B6 . . . . . . . . . . H-2Kb . 27285 1 2 2 $VSV8 . 11276 virus . 'vesicular stomatitus virus' 'vesicular stomatitus virus' . . Viruses . Vesiculovirus 'vesicular stomatitus virus' . . . . . . . . . . . . . 27285 1 3 3 $b2m . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus B6 . . . . . . . . . . B2m . 27285 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 27285 _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 $H-2Kb . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 . . . . . pet11d . . . 27285 1 2 2 $VSV8 . 'chemical synthesis' . . . . . . . . . . . . . . . . 27285 1 3 3 $b2m . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 . . . . . pet11d . . . 27285 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27285 _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 H-2Kb '[U-13C; U-15N; U-2H]' . . 1 $H-2Kb . . 400 . . uM . . . . 27285 1 2 VSV8 'natural abundance' . . 2 $VSV8 . . 400 . . uM . . . . 27285 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27285 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27285 1 5 b2m 'natural abundance' . . 3 $b2m . . 400 . . mM . . . . 27285 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27285 _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' 470 . mM 27285 1 pH 7.0 . pH 27285 1 pressure 1 . atm 27285 1 temperature 298 . K 27285 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27285 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27285 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27285 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27285 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27285 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27285 2 stop_ save_ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 27285 _Software.ID 3 _Software.Type . _Software.Name Cara _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller 'Goldau, Switzerland' . 27285 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27285 3 'data analysis' 27285 3 'peak picking' 27285 3 stop_ save_ save_RASP _Software.Sf_category software _Software.Sf_framecode RASP _Software.Entry_ID 27285 _Software.ID 4 _Software.Type . _Software.Name RASP _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID MacRaild . . 27285 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27285 4 stop_ save_ save_SPARTA+ _Software.Sf_category software _Software.Sf_framecode SPARTA+ _Software.Entry_ID 27285 _Software.ID 5 _Software.Type . _Software.Name SPARTA+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 27285 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 27285 5 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 27285 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27285 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27285 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 27285 _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 UnityPlus . 750 . . . 27285 1 2 spectrometer_2 Varian INOVA . 600 . . . 27285 1 3 spectrometer_3 Bruker Avance . 500 . . . 27285 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 27285 _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 . . . . . . . . . . . . . . . . 27285 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27285 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27285 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27285 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27285 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27285 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27285 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27285 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 27285 _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 water protons . . . . ppm 4.7 na indirect . . . . . . 27285 1 H 1 water protons . . . . ppm 4.7 na indirect 1 . . . . . 27285 1 N 15 water protons . . . . ppm 4.7 na indirect . . . . . . 27285 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 27285 _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' . . . 27285 1 4 '3D HNCO' . . . 27285 1 5 '3D HNCA' . . . 27285 1 6 '3D HNCACB' . . . 27285 1 7 '3D HN(CO)CA' . . . 27285 1 8 '3D HCACO' . . . 27285 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Cara . . 27285 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 4 4 HIS H H 1 8.153 0.020 . 1 . . . . . 3 HIS H . 27285 1 2 . 1 1 4 4 HIS C C 13 173.829 0.3 . 1 . . . . . 3 HIS C . 27285 1 3 . 1 1 4 4 HIS CA C 13 54.889 0.3 . 1 . . . . . 3 HIS CA . 27285 1 4 . 1 1 4 4 HIS CB C 13 32.794 0.3 . 1 . . . . . 3 HIS CB . 27285 1 5 . 1 1 4 4 HIS N N 15 117.156 0.3 . 1 . . . . . 3 HIS N . 27285 1 6 . 1 1 5 5 SER H H 1 9.358 0.020 . 1 . . . . . 4 SER H . 27285 1 7 . 1 1 5 5 SER CA C 13 56.566 0.3 . 1 . . . . . 4 SER CA . 27285 1 8 . 1 1 5 5 SER N N 15 114.232 0.3 . 1 . . . . . 4 SER N . 27285 1 9 . 1 1 6 6 LEU H H 1 8.810 0.020 . 1 . . . . . 5 LEU H . 27285 1 10 . 1 1 6 6 LEU CA C 13 53.531 0.3 . 1 . . . . . 5 LEU CA . 27285 1 11 . 1 1 6 6 LEU N N 15 126.010 0.3 . 1 . . . . . 5 LEU N . 27285 1 12 . 1 1 7 7 ARG H H 1 8.998 0.020 . 1 . . . . . 6 ARG H . 27285 1 13 . 1 1 7 7 ARG CA C 13 54.067 0.3 . 1 . . . . . 6 ARG CA . 27285 1 14 . 1 1 7 7 ARG CB C 13 35.921 0.3 . 1 . . . . . 6 ARG CB . 27285 1 15 . 1 1 7 7 ARG N N 15 122.951 0.3 . 1 . . . . . 6 ARG N . 27285 1 16 . 1 1 10 10 VAL H H 1 9.892 0.020 . 1 . . . . . 9 VAL H . 27285 1 17 . 1 1 10 10 VAL CA C 13 60.928 0.3 . 1 . . . . . 9 VAL CA . 27285 1 18 . 1 1 10 10 VAL N N 15 130.237 0.3 . 1 . . . . . 9 VAL N . 27285 1 19 . 1 1 11 11 THR H H 1 8.544 0.020 . 1 . . . . . 10 THR H . 27285 1 20 . 1 1 11 11 THR CA C 13 61.464 0.3 . 1 . . . . . 10 THR CA . 27285 1 21 . 1 1 11 11 THR N N 15 121.826 0.3 . 1 . . . . . 10 THR N . 27285 1 22 . 1 1 12 12 ALA H H 1 9.045 0.020 . 1 . . . . . 11 ALA H . 27285 1 23 . 1 1 12 12 ALA CA C 13 49.958 0.3 . 1 . . . . . 11 ALA CA . 27285 1 24 . 1 1 12 12 ALA CB C 13 21.709 0.3 . 1 . . . . . 11 ALA CB . 27285 1 25 . 1 1 12 12 ALA N N 15 128.577 0.3 . 1 . . . . . 11 ALA N . 27285 1 26 . 1 1 13 13 VAL H H 1 9.061 0.020 . 1 . . . . . 12 VAL H . 27285 1 27 . 1 1 13 13 VAL CA C 13 58.569 0.3 . 1 . . . . . 12 VAL CA . 27285 1 28 . 1 1 13 13 VAL CB C 13 34.201 0.3 . 1 . . . . . 12 VAL CB . 27285 1 29 . 1 1 13 13 VAL N N 15 122.389 0.3 . 1 . . . . . 12 VAL N . 27285 1 30 . 1 1 14 14 SER H H 1 9.335 0.020 . 1 . . . . . 13 SER H . 27285 1 31 . 1 1 14 14 SER CA C 13 56.568 0.3 . 1 . . . . . 13 SER CA . 27285 1 32 . 1 1 14 14 SER CB C 13 64.686 0.3 . 1 . . . . . 13 SER CB . 27285 1 33 . 1 1 14 14 SER N N 15 122.389 0.3 . 1 . . . . . 13 SER N . 27285 1 34 . 1 1 15 15 ARG H H 1 8.294 0.020 . 1 . . . . . 14 ARG H . 27285 1 35 . 1 1 15 15 ARG CA C 13 54.284 0.3 . 1 . . . . . 14 ARG CA . 27285 1 36 . 1 1 15 15 ARG N N 15 125.201 0.3 . 1 . . . . . 14 ARG N . 27285 1 37 . 1 1 18 18 LEU H H 1 8.098 0.020 . 1 . . . . . 17 LEU H . 27285 1 38 . 1 1 18 18 LEU C C 13 176.996 0.3 . 1 . . . . . 17 LEU C . 27285 1 39 . 1 1 18 18 LEU CA C 13 54.389 0.3 . 1 . . . . . 17 LEU CA . 27285 1 40 . 1 1 18 18 LEU CB C 13 41.940 0.3 . 1 . . . . . 17 LEU CB . 27285 1 41 . 1 1 18 18 LEU N N 15 122.389 0.3 . 1 . . . . . 17 LEU N . 27285 1 42 . 1 1 19 19 GLY H H 1 7.769 0.020 . 1 . . . . . 18 GLY H . 27285 1 43 . 1 1 19 19 GLY C C 13 173.431 0.3 . 1 . . . . . 18 GLY C . 27285 1 44 . 1 1 19 19 GLY CA C 13 44.597 0.3 . 1 . . . . . 18 GLY CA . 27285 1 45 . 1 1 19 19 GLY N N 15 107.762 0.3 . 1 . . . . . 18 GLY N . 27285 1 46 . 1 1 20 20 GLU H H 1 8.333 0.020 . 1 . . . . . 19 GLU H . 27285 1 47 . 1 1 20 20 GLU CA C 13 54.353 0.3 . 1 . . . . . 19 GLU CA . 27285 1 48 . 1 1 20 20 GLU CB C 13 27.714 0.3 . 1 . . . . . 19 GLU CB . 27285 1 49 . 1 1 20 20 GLU N N 15 122.389 0.3 . 1 . . . . . 19 GLU N . 27285 1 50 . 1 1 22 22 ARG H H 1 8.748 0.020 . 1 . . . . . 21 ARG H . 27285 1 51 . 1 1 22 22 ARG C C 13 173.406 0.3 . 1 . . . . . 21 ARG C . 27285 1 52 . 1 1 22 22 ARG CA C 13 55.318 0.3 . 1 . . . . . 21 ARG CA . 27285 1 53 . 1 1 22 22 ARG CB C 13 31.010 0.3 . 1 . . . . . 21 ARG CB . 27285 1 54 . 1 1 22 22 ARG N N 15 126.327 0.3 . 1 . . . . . 21 ARG N . 27285 1 55 . 1 1 23 23 TYR H H 1 9.155 0.020 . 1 . . . . . 22 TYR H . 27285 1 56 . 1 1 23 23 TYR CA C 13 56.961 0.3 . 1 . . . . . 22 TYR CA . 27285 1 57 . 1 1 23 23 TYR CB C 13 42.892 0.3 . 1 . . . . . 22 TYR CB . 27285 1 58 . 1 1 23 23 TYR N N 15 130.264 0.3 . 1 . . . . . 22 TYR N . 27285 1 59 . 1 1 24 24 MET H H 1 8.466 0.020 . 1 . . . . . 23 MET H . 27285 1 60 . 1 1 24 24 MET CA C 13 53.214 0.3 . 1 . . . . . 23 MET CA . 27285 1 61 . 1 1 24 24 MET CB C 13 37.484 0.3 . 1 . . . . . 23 MET CB . 27285 1 62 . 1 1 24 24 MET N N 15 125.483 0.3 . 1 . . . . . 23 MET N . 27285 1 63 . 1 1 25 25 GLU H H 1 8.621 0.020 . 1 . . . . . 24 GLU H . 27285 1 64 . 1 1 25 25 GLU CA C 13 55.272 0.3 . 1 . . . . . 24 GLU CA . 27285 1 65 . 1 1 25 25 GLU N N 15 118.580 0.3 . 1 . . . . . 24 GLU N . 27285 1 66 . 1 1 26 26 VAL H H 1 8.842 0.020 . 1 . . . . . 25 VAL H . 27285 1 67 . 1 1 26 26 VAL CA C 13 61.250 0.3 . 1 . . . . . 25 VAL CA . 27285 1 68 . 1 1 26 26 VAL CB C 13 33.967 0.3 . 1 . . . . . 25 VAL CB . 27285 1 69 . 1 1 26 26 VAL N N 15 123.233 0.3 . 1 . . . . . 25 VAL N . 27285 1 70 . 1 1 27 27 GLY H H 1 8.223 0.020 . 1 . . . . . 26 GLY H . 27285 1 71 . 1 1 27 27 GLY C C 13 172.885 0.3 . 1 . . . . . 26 GLY C . 27285 1 72 . 1 1 27 27 GLY CA C 13 44.383 0.3 . 1 . . . . . 26 GLY CA . 27285 1 73 . 1 1 27 27 GLY N N 15 113.669 0.3 . 1 . . . . . 26 GLY N . 27285 1 74 . 1 1 28 28 TYR H H 1 9.562 0.020 . 1 . . . . . 27 TYR H . 27285 1 75 . 1 1 28 28 TYR CA C 13 57.282 0.3 . 1 . . . . . 27 TYR CA . 27285 1 76 . 1 1 28 28 TYR N N 15 122.670 0.3 . 1 . . . . . 27 TYR N . 27285 1 77 . 1 1 29 29 VAL H H 1 8.651 0.020 . 1 . . . . . 28 VAL H . 27285 1 78 . 1 1 29 29 VAL CA C 13 60.571 0.3 . 1 . . . . . 28 VAL CA . 27285 1 79 . 1 1 29 29 VAL N N 15 125.202 0.3 . 1 . . . . . 28 VAL N . 27285 1 80 . 1 1 35 35 VAL H H 1 8.789 0.020 . 1 . . . . . 34 VAL H . 27285 1 81 . 1 1 35 35 VAL CA C 13 59.820 0.3 . 1 . . . . . 34 VAL CA . 27285 1 82 . 1 1 35 35 VAL CB C 13 40.611 0.3 . 1 . . . . . 34 VAL CB . 27285 1 83 . 1 1 35 35 VAL N N 15 123.929 0.3 . 1 . . . . . 34 VAL N . 27285 1 84 . 1 1 36 36 ARG H H 1 8.140 0.020 . 1 . . . . . 35 ARG H . 27285 1 85 . 1 1 36 36 ARG CA C 13 55.961 0.3 . 1 . . . . . 35 ARG CA . 27285 1 86 . 1 1 36 36 ARG CB C 13 33.889 0.3 . 1 . . . . . 35 ARG CB . 27285 1 87 . 1 1 36 36 ARG N N 15 119.590 0.3 . 1 . . . . . 35 ARG N . 27285 1 88 . 1 1 37 37 PHE H H 1 9.249 0.020 . 1 . . . . . 36 PHE H . 27285 1 89 . 1 1 37 37 PHE CA C 13 56.854 0.3 . 1 . . . . . 36 PHE CA . 27285 1 90 . 1 1 37 37 PHE CB C 13 42.344 0.3 . 1 . . . . . 36 PHE CB . 27285 1 91 . 1 1 37 37 PHE N N 15 128.577 0.3 . 1 . . . . . 36 PHE N . 27285 1 92 . 1 1 38 38 ASP H H 1 7.472 0.020 . 1 . . . . . 37 ASP H . 27285 1 93 . 1 1 38 38 ASP C C 13 175.898 0.3 . 1 . . . . . 37 ASP C . 27285 1 94 . 1 1 38 38 ASP CA C 13 51.887 0.3 . 1 . . . . . 37 ASP CA . 27285 1 95 . 1 1 38 38 ASP CB C 13 42.735 0.3 . 1 . . . . . 37 ASP CB . 27285 1 96 . 1 1 38 38 ASP N N 15 127.452 0.3 . 1 . . . . . 37 ASP N . 27285 1 97 . 1 1 39 39 SER H H 1 9.358 0.020 . 1 . . . . . 38 SER H . 27285 1 98 . 1 1 39 39 SER CA C 13 60.856 0.3 . 1 . . . . . 38 SER CA . 27285 1 99 . 1 1 39 39 SER CB C 13 62.966 0.3 . 1 . . . . . 38 SER CB . 27285 1 100 . 1 1 39 39 SER N N 15 123.795 0.3 . 1 . . . . . 38 SER N . 27285 1 101 . 1 1 40 40 ASP H H 1 8.245 0.020 . 1 . . . . . 39 ASP H . 27285 1 102 . 1 1 40 40 ASP CA C 13 53.674 0.3 . 1 . . . . . 39 ASP CA . 27285 1 103 . 1 1 40 40 ASP CB C 13 39.751 0.3 . 1 . . . . . 39 ASP CB . 27285 1 104 . 1 1 40 40 ASP N N 15 123.086 0.3 . 1 . . . . . 39 ASP N . 27285 1 105 . 1 1 41 41 ALA H H 1 7.307 0.020 . 1 . . . . . 40 ALA H . 27285 1 106 . 1 1 41 41 ALA C C 13 176.387 0.3 . 1 . . . . . 40 ALA C . 27285 1 107 . 1 1 41 41 ALA CA C 13 51.494 0.3 . 1 . . . . . 40 ALA CA . 27285 1 108 . 1 1 41 41 ALA CB C 13 19.194 0.3 . 1 . . . . . 40 ALA CB . 27285 1 109 . 1 1 41 41 ALA N N 15 124.358 0.3 . 1 . . . . . 40 ALA N . 27285 1 110 . 1 1 42 42 GLU H H 1 8.302 0.020 . 1 . . . . . 41 GLU H . 27285 1 111 . 1 1 42 42 GLU C C 13 177.206 0.3 . 1 . . . . . 41 GLU C . 27285 1 112 . 1 1 42 42 GLU CA C 13 58.534 0.3 . 1 . . . . . 41 GLU CA . 27285 1 113 . 1 1 42 42 GLU CB C 13 28.730 0.3 . 1 . . . . . 41 GLU CB . 27285 1 114 . 1 1 42 42 GLU N N 15 121.264 0.3 . 1 . . . . . 41 GLU N . 27285 1 115 . 1 1 43 43 ASN H H 1 8.106 0.020 . 1 . . . . . 42 ASN H . 27285 1 116 . 1 1 43 43 ASN CA C 13 50.243 0.3 . 1 . . . . . 42 ASN CA . 27285 1 117 . 1 1 43 43 ASN CB C 13 38.188 0.3 . 1 . . . . . 42 ASN CB . 27285 1 118 . 1 1 43 43 ASN N N 15 116.087 0.3 . 1 . . . . . 42 ASN N . 27285 1 119 . 1 1 49 49 ARG H H 1 7.955 0.020 . 1 . . . . . 48 ARG H . 27285 1 120 . 1 1 49 49 ARG CA C 13 52.185 0.3 . 1 . . . . . 48 ARG CA . 27285 1 121 . 1 1 49 49 ARG N N 15 120.188 0.3 . 1 . . . . . 48 ARG N . 27285 1 122 . 1 1 50 50 ALA H H 1 6.822 0.020 . 1 . . . . . 49 ALA H . 27285 1 123 . 1 1 50 50 ALA CA C 13 49.850 0.3 . 1 . . . . . 49 ALA CA . 27285 1 124 . 1 1 50 50 ALA CB C 13 20.366 0.3 . 1 . . . . . 49 ALA CB . 27285 1 125 . 1 1 50 50 ALA N N 15 120.420 0.3 . 1 . . . . . 49 ALA N . 27285 1 126 . 1 1 54 54 GLU H H 1 7.847 0.020 . 1 . . . . . 53 GLU H . 27285 1 127 . 1 1 54 54 GLU CA C 13 58.141 0.3 . 1 . . . . . 53 GLU CA . 27285 1 128 . 1 1 54 54 GLU N N 15 119.857 0.3 . 1 . . . . . 53 GLU N . 27285 1 129 . 1 1 55 55 GLN H H 1 7.346 0.020 . 1 . . . . . 54 GLN H . 27285 1 130 . 1 1 55 55 GLN CA C 13 56.211 0.3 . 1 . . . . . 54 GLN CA . 27285 1 131 . 1 1 55 55 GLN CB C 13 28.712 0.3 . 1 . . . . . 54 GLN CB . 27285 1 132 . 1 1 55 55 GLN N N 15 114.794 0.3 . 1 . . . . . 54 GLN N . 27285 1 133 . 1 1 56 56 GLU H H 1 7.504 0.020 . 1 . . . . . 55 GLU H . 27285 1 134 . 1 1 56 56 GLU CA C 13 55.746 0.3 . 1 . . . . . 55 GLU CA . 27285 1 135 . 1 1 56 56 GLU CB C 13 28.026 0.3 . 1 . . . . . 55 GLU CB . 27285 1 136 . 1 1 56 56 GLU N N 15 120.524 0.3 . 1 . . . . . 55 GLU N . 27285 1 137 . 1 1 57 57 GLY H H 1 8.748 0.020 . 1 . . . . . 56 GLY H . 27285 1 138 . 1 1 57 57 GLY CA C 13 44.562 0.3 . 1 . . . . . 56 GLY CA . 27285 1 139 . 1 1 57 57 GLY N N 15 111.138 0.3 . 1 . . . . . 56 GLY N . 27285 1 140 . 1 1 59 59 GLU H H 1 9.108 0.020 . 1 . . . . . 58 GLU H . 27285 1 141 . 1 1 59 59 GLU CA C 13 58.963 0.3 . 1 . . . . . 58 GLU CA . 27285 1 142 . 1 1 59 59 GLU N N 15 118.451 0.3 . 1 . . . . . 58 GLU N . 27285 1 143 . 1 1 60 60 TYR H H 1 7.723 0.020 . 1 . . . . . 59 TYR H . 27285 1 144 . 1 1 60 60 TYR CA C 13 61.250 0.3 . 1 . . . . . 59 TYR CA . 27285 1 145 . 1 1 60 60 TYR CB C 13 38.031 0.3 . 1 . . . . . 59 TYR CB . 27285 1 146 . 1 1 60 60 TYR N N 15 123.357 0.3 . 1 . . . . . 59 TYR N . 27285 1 147 . 1 1 61 61 TRP H H 1 6.611 0.020 . 1 . . . . . 60 TRP H . 27285 1 148 . 1 1 61 61 TRP CA C 13 57.891 0.3 . 1 . . . . . 60 TRP CA . 27285 1 149 . 1 1 61 61 TRP CB C 13 28.652 0.3 . 1 . . . . . 60 TRP CB . 27285 1 150 . 1 1 61 61 TRP N N 15 120.302 0.3 . 1 . . . . . 60 TRP N . 27285 1 151 . 1 1 62 62 GLU H H 1 8.529 0.020 . 1 . . . . . 61 GLU H . 27285 1 152 . 1 1 62 62 GLU CA C 13 59.070 0.3 . 1 . . . . . 61 GLU CA . 27285 1 153 . 1 1 62 62 GLU N N 15 122.325 0.3 . 1 . . . . . 61 GLU N . 27285 1 154 . 1 1 63 63 ARG H H 1 7.778 0.020 . 1 . . . . . 62 ARG H . 27285 1 155 . 1 1 63 63 ARG CA C 13 58.391 0.3 . 1 . . . . . 62 ARG CA . 27285 1 156 . 1 1 63 63 ARG N N 15 120.141 0.3 . 1 . . . . . 62 ARG N . 27285 1 157 . 1 1 64 64 GLU H H 1 8.155 0.020 . 1 . . . . . 63 GLU H . 27285 1 158 . 1 1 64 64 GLU CA C 13 58.024 0.3 . 1 . . . . . 63 GLU CA . 27285 1 159 . 1 1 64 64 GLU N N 15 118.422 0.3 . 1 . . . . . 63 GLU N . 27285 1 160 . 1 1 69 69 LYS H H 1 8.132 0.020 . 1 . . . . . 68 LYS H . 27285 1 161 . 1 1 69 69 LYS CA C 13 58.485 0.3 . 1 . . . . . 68 LYS CA . 27285 1 162 . 1 1 69 69 LYS N N 15 116.994 0.3 . 1 . . . . . 68 LYS N . 27285 1 163 . 1 1 70 70 GLY H H 1 7.816 0.020 . 1 . . . . . 69 GLY H . 27285 1 164 . 1 1 70 70 GLY CA C 13 46.527 0.3 . 1 . . . . . 69 GLY CA . 27285 1 165 . 1 1 70 70 GLY N N 15 109.731 0.3 . 1 . . . . . 69 GLY N . 27285 1 166 . 1 1 71 71 ASN H H 1 8.429 0.020 . 1 . . . . . 70 ASN H . 27285 1 167 . 1 1 71 71 ASN CA C 13 55.103 0.3 . 1 . . . . . 70 ASN CA . 27285 1 168 . 1 1 71 71 ASN N N 15 125.212 0.3 . 1 . . . . . 70 ASN N . 27285 1 169 . 1 1 72 72 GLU H H 1 8.795 0.020 . 1 . . . . . 71 GLU H . 27285 1 170 . 1 1 72 72 GLU CA C 13 58.712 0.3 . 1 . . . . . 71 GLU CA . 27285 1 171 . 1 1 72 72 GLU CB C 13 28.730 0.3 . 1 . . . . . 71 GLU CB . 27285 1 172 . 1 1 72 72 GLU N N 15 124.068 0.3 . 1 . . . . . 71 GLU N . 27285 1 173 . 1 1 73 73 GLN H H 1 6.963 0.020 . 1 . . . . . 72 GLN H . 27285 1 174 . 1 1 73 73 GLN CA C 13 57.962 0.3 . 1 . . . . . 72 GLN CA . 27285 1 175 . 1 1 73 73 GLN N N 15 115.357 0.3 . 1 . . . . . 72 GLN N . 27285 1 176 . 1 1 74 74 SER H H 1 7.644 0.020 . 1 . . . . . 73 SER H . 27285 1 177 . 1 1 74 74 SER CA C 13 60.785 0.3 . 1 . . . . . 73 SER CA . 27285 1 178 . 1 1 74 74 SER N N 15 116.763 0.3 . 1 . . . . . 73 SER N . 27285 1 179 . 1 1 75 75 PHE H H 1 8.957 0.020 . 1 . . . . . 74 PHE H . 27285 1 180 . 1 1 75 75 PHE CA C 13 62.036 0.3 . 1 . . . . . 74 PHE CA . 27285 1 181 . 1 1 75 75 PHE N N 15 120.141 0.3 . 1 . . . . . 74 PHE N . 27285 1 182 . 1 1 76 76 ARG H H 1 7.793 0.020 . 1 . . . . . 75 ARG H . 27285 1 183 . 1 1 76 76 ARG CA C 13 60.065 0.3 . 1 . . . . . 75 ARG CA . 27285 1 184 . 1 1 76 76 ARG N N 15 119.570 0.3 . 1 . . . . . 75 ARG N . 27285 1 185 . 1 1 77 77 VAL H H 1 7.033 0.020 . 1 . . . . . 76 VAL H . 27285 1 186 . 1 1 77 77 VAL CA C 13 66.002 0.3 . 1 . . . . . 76 VAL CA . 27285 1 187 . 1 1 77 77 VAL N N 15 120.982 0.3 . 1 . . . . . 76 VAL N . 27285 1 188 . 1 1 78 78 ASP H H 1 8.145 0.020 . 1 . . . . . 77 ASP H . 27285 1 189 . 1 1 78 78 ASP CA C 13 57.569 0.3 . 1 . . . . . 77 ASP CA . 27285 1 190 . 1 1 78 78 ASP CB C 13 40.376 0.3 . 1 . . . . . 77 ASP CB . 27285 1 191 . 1 1 78 78 ASP N N 15 122.107 0.3 . 1 . . . . . 77 ASP N . 27285 1 192 . 1 1 79 79 LEU H H 1 8.067 0.020 . 1 . . . . . 78 LEU H . 27285 1 193 . 1 1 79 79 LEU CA C 13 58.319 0.3 . 1 . . . . . 78 LEU CA . 27285 1 194 . 1 1 79 79 LEU CB C 13 41.158 0.3 . 1 . . . . . 78 LEU CB . 27285 1 195 . 1 1 79 79 LEU N N 15 119.576 0.3 . 1 . . . . . 78 LEU N . 27285 1 196 . 1 1 80 80 ARG H H 1 6.979 0.020 . 1 . . . . . 79 ARG H . 27285 1 197 . 1 1 80 80 ARG CA C 13 58.927 0.3 . 1 . . . . . 79 ARG CA . 27285 1 198 . 1 1 80 80 ARG N N 15 119.857 0.3 . 1 . . . . . 79 ARG N . 27285 1 199 . 1 1 81 81 THR H H 1 9.124 0.020 . 1 . . . . . 80 THR H . 27285 1 200 . 1 1 81 81 THR CA C 13 64.859 0.3 . 1 . . . . . 80 THR CA . 27285 1 201 . 1 1 81 81 THR N N 15 122.670 0.3 . 1 . . . . . 80 THR N . 27285 1 202 . 1 1 82 82 LEU H H 1 8.126 0.020 . 1 . . . . . 81 LEU H . 27285 1 203 . 1 1 82 82 LEU CA C 13 58.248 0.3 . 1 . . . . . 81 LEU CA . 27285 1 204 . 1 1 82 82 LEU N N 15 122.670 0.3 . 1 . . . . . 81 LEU N . 27285 1 205 . 1 1 83 83 LEU H H 1 6.908 0.020 . 1 . . . . . 82 LEU H . 27285 1 206 . 1 1 83 83 LEU CA C 13 57.819 0.3 . 1 . . . . . 82 LEU CA . 27285 1 207 . 1 1 83 83 LEU N N 15 118.170 0.3 . 1 . . . . . 82 LEU N . 27285 1 208 . 1 1 84 84 GLY H H 1 7.088 0.020 . 1 . . . . . 83 GLY H . 27285 1 209 . 1 1 84 84 GLY CA C 13 46.216 0.3 . 1 . . . . . 83 GLY CA . 27285 1 210 . 1 1 84 84 GLY N N 15 103.825 0.3 . 1 . . . . . 83 GLY N . 27285 1 211 . 1 1 85 85 TYR H H 1 8.046 0.020 . 1 . . . . . 84 TYR H . 27285 1 212 . 1 1 85 85 TYR CA C 13 56.804 0.3 . 1 . . . . . 84 TYR CA . 27285 1 213 . 1 1 85 85 TYR N N 15 122.941 0.3 . 1 . . . . . 84 TYR N . 27285 1 214 . 1 1 86 86 TYR H H 1 7.801 0.020 . 1 . . . . . 85 TYR H . 27285 1 215 . 1 1 86 86 TYR CA C 13 59.161 0.3 . 1 . . . . . 85 TYR CA . 27285 1 216 . 1 1 86 86 TYR N N 15 113.669 0.3 . 1 . . . . . 85 TYR N . 27285 1 217 . 1 1 87 87 ASN H H 1 7.785 0.020 . 1 . . . . . 86 ASN H . 27285 1 218 . 1 1 87 87 ASN CA C 13 54.059 0.3 . 1 . . . . . 86 ASN CA . 27285 1 219 . 1 1 87 87 ASN CB C 13 36.546 0.3 . 1 . . . . . 86 ASN CB . 27285 1 220 . 1 1 87 87 ASN N N 15 120.982 0.3 . 1 . . . . . 86 ASN N . 27285 1 221 . 1 1 88 88 GLN H H 1 8.607 0.020 . 1 . . . . . 87 GLN H . 27285 1 222 . 1 1 88 88 GLN CA C 13 54.246 0.3 . 1 . . . . . 87 GLN CA . 27285 1 223 . 1 1 88 88 GLN CB C 13 29.980 0.3 . 1 . . . . . 87 GLN CB . 27285 1 224 . 1 1 88 88 GLN N N 15 118.451 0.3 . 1 . . . . . 87 GLN N . 27285 1 225 . 1 1 89 89 SER H H 1 8.325 0.020 . 1 . . . . . 88 SER H . 27285 1 226 . 1 1 89 89 SER CA C 13 57.497 0.3 . 1 . . . . . 88 SER CA . 27285 1 227 . 1 1 89 89 SER N N 15 115.822 0.3 . 1 . . . . . 88 SER N . 27285 1 228 . 1 1 95 95 THR H H 1 8.294 0.020 . 1 . . . . . 94 THR H . 27285 1 229 . 1 1 95 95 THR C C 13 174.742 0.3 . 1 . . . . . 94 THR C . 27285 1 230 . 1 1 95 95 THR CA C 13 61.007 0.3 . 1 . . . . . 94 THR CA . 27285 1 231 . 1 1 95 95 THR N N 15 113.107 0.3 . 1 . . . . . 94 THR N . 27285 1 232 . 1 1 96 96 ILE H H 1 9.719 0.020 . 1 . . . . . 95 ILE H . 27285 1 233 . 1 1 96 96 ILE CA C 13 60.571 0.3 . 1 . . . . . 95 ILE CA . 27285 1 234 . 1 1 96 96 ILE CB C 13 40.390 0.3 . 1 . . . . . 95 ILE CB . 27285 1 235 . 1 1 96 96 ILE N N 15 128.296 0.3 . 1 . . . . . 95 ILE N . 27285 1 236 . 1 1 97 97 GLN H H 1 8.576 0.020 . 1 . . . . . 96 GLN H . 27285 1 237 . 1 1 97 97 GLN CA C 13 52.923 0.3 . 1 . . . . . 96 GLN CA . 27285 1 238 . 1 1 97 97 GLN CB C 13 36.482 0.3 . 1 . . . . . 96 GLN CB . 27285 1 239 . 1 1 97 97 GLN N N 15 126.045 0.3 . 1 . . . . . 96 GLN N . 27285 1 240 . 1 1 98 98 VAL H H 1 9.139 0.020 . 1 . . . . . 97 VAL H . 27285 1 241 . 1 1 98 98 VAL CA C 13 59.642 0.3 . 1 . . . . . 97 VAL CA . 27285 1 242 . 1 1 98 98 VAL N N 15 120.982 0.3 . 1 . . . . . 97 VAL N . 27285 1 243 . 1 1 99 99 ILE H H 1 8.983 0.020 . 1 . . . . . 98 ILE H . 27285 1 244 . 1 1 99 99 ILE CA C 13 61.107 0.3 . 1 . . . . . 98 ILE CA . 27285 1 245 . 1 1 99 99 ILE N N 15 125.483 0.3 . 1 . . . . . 98 ILE N . 27285 1 246 . 1 1 100 100 SER H H 1 8.654 0.020 . 1 . . . . . 99 SER H . 27285 1 247 . 1 1 100 100 SER CA C 13 52.280 0.3 . 1 . . . . . 99 SER CA . 27285 1 248 . 1 1 100 100 SER N N 15 122.107 0.3 . 1 . . . . . 99 SER N . 27285 1 249 . 1 1 103 103 GLU H H 1 8.506 0.020 . 1 . . . . . 102 GLU H . 27285 1 250 . 1 1 103 103 GLU CA C 13 54.031 0.3 . 1 . . . . . 102 GLU CA . 27285 1 251 . 1 1 103 103 GLU N N 15 120.973 0.3 . 1 . . . . . 102 GLU N . 27285 1 252 . 1 1 105 105 GLY H H 1 8.341 0.020 . 1 . . . . . 104 GLY H . 27285 1 253 . 1 1 105 105 GLY CA C 13 43.597 0.3 . 1 . . . . . 104 GLY CA . 27285 1 254 . 1 1 105 105 GLY N N 15 110.013 0.3 . 1 . . . . . 104 GLY N . 27285 1 255 . 1 1 107 107 ASP H H 1 7.965 0.020 . 1 . . . . . 106 ASP H . 27285 1 256 . 1 1 107 107 ASP CA C 13 52.673 0.3 . 1 . . . . . 106 ASP CA . 27285 1 257 . 1 1 107 107 ASP CB C 13 39.438 0.3 . 1 . . . . . 106 ASP CB . 27285 1 258 . 1 1 107 107 ASP N N 15 119.289 0.3 . 1 . . . . . 106 ASP N . 27285 1 259 . 1 1 108 108 GLY H H 1 7.996 0.020 . 1 . . . . . 107 GLY H . 27285 1 260 . 1 1 108 108 GLY CA C 13 44.955 0.3 . 1 . . . . . 107 GLY CA . 27285 1 261 . 1 1 108 108 GLY N N 15 108.606 0.3 . 1 . . . . . 107 GLY N . 27285 1 262 . 1 1 109 109 ARG H H 1 7.487 0.020 . 1 . . . . . 108 ARG H . 27285 1 263 . 1 1 109 109 ARG C C 13 176.063 0.3 . 1 . . . . . 108 ARG C . 27285 1 264 . 1 1 109 109 ARG CA C 13 54.532 0.3 . 1 . . . . . 108 ARG CA . 27285 1 265 . 1 1 109 109 ARG CB C 13 30.371 0.3 . 1 . . . . . 108 ARG CB . 27285 1 266 . 1 1 109 109 ARG N N 15 119.576 0.3 . 1 . . . . . 108 ARG N . 27285 1 267 . 1 1 110 110 LEU H H 1 8.576 0.020 . 1 . . . . . 109 LEU H . 27285 1 268 . 1 1 110 110 LEU CA C 13 56.461 0.3 . 1 . . . . . 109 LEU CA . 27285 1 269 . 1 1 110 110 LEU CB C 13 41.080 0.3 . 1 . . . . . 109 LEU CB . 27285 1 270 . 1 1 110 110 LEU N N 15 123.233 0.3 . 1 . . . . . 109 LEU N . 27285 1 271 . 1 1 111 111 LEU H H 1 9.358 0.020 . 1 . . . . . 110 LEU H . 27285 1 272 . 1 1 111 111 LEU CA C 13 55.357 0.3 . 1 . . . . . 110 LEU CA . 27285 1 273 . 1 1 111 111 LEU N N 15 130.546 0.3 . 1 . . . . . 110 LEU N . 27285 1 274 . 1 1 112 112 ARG H H 1 7.330 0.020 . 1 . . . . . 111 ARG H . 27285 1 275 . 1 1 112 112 ARG CA C 13 54.960 0.3 . 1 . . . . . 111 ARG CA . 27285 1 276 . 1 1 112 112 ARG N N 15 115.628 0.3 . 1 . . . . . 111 ARG N . 27285 1 277 . 1 1 113 113 GLY H H 1 8.270 0.020 . 1 . . . . . 112 GLY H . 27285 1 278 . 1 1 113 113 GLY CA C 13 43.525 0.3 . 1 . . . . . 112 GLY CA . 27285 1 279 . 1 1 113 113 GLY N N 15 109.450 0.3 . 1 . . . . . 112 GLY N . 27285 1 280 . 1 1 115 115 GLN H H 1 8.141 0.020 . 1 . . . . . 114 GLN H . 27285 1 281 . 1 1 115 115 GLN CA C 13 58.605 0.3 . 1 . . . . . 114 GLN CA . 27285 1 282 . 1 1 115 115 GLN N N 15 119.883 0.3 . 1 . . . . . 114 GLN N . 27285 1 283 . 1 1 116 116 GLN H H 1 8.141 0.020 . 1 . . . . . 115 GLN H . 27285 1 284 . 1 1 116 116 GLN CA C 13 54.674 0.3 . 1 . . . . . 115 GLN CA . 27285 1 285 . 1 1 116 116 GLN N N 15 124.751 0.3 . 1 . . . . . 115 GLN N . 27285 1 286 . 1 1 117 117 TYR H H 1 9.578 0.020 . 1 . . . . . 116 TYR H . 27285 1 287 . 1 1 117 117 TYR CA C 13 56.390 0.3 . 1 . . . . . 116 TYR CA . 27285 1 288 . 1 1 117 117 TYR N N 15 122.107 0.3 . 1 . . . . . 116 TYR N . 27285 1 289 . 1 1 118 118 ALA H H 1 9.191 0.020 . 1 . . . . . 117 ALA H . 27285 1 290 . 1 1 118 118 ALA CA C 13 50.494 0.3 . 1 . . . . . 117 ALA CA . 27285 1 291 . 1 1 118 118 ALA N N 15 125.945 0.3 . 1 . . . . . 117 ALA N . 27285 1 292 . 1 1 119 119 TYR H H 1 8.542 0.020 . 1 . . . . . 118 TYR H . 27285 1 293 . 1 1 119 119 TYR CA C 13 54.281 0.3 . 1 . . . . . 118 TYR CA . 27285 1 294 . 1 1 119 119 TYR N N 15 121.263 0.3 . 1 . . . . . 118 TYR N . 27285 1 295 . 1 1 120 120 ASP H H 1 9.606 0.020 . 1 . . . . . 119 ASP H . 27285 1 296 . 1 1 120 120 ASP CA C 13 55.175 0.3 . 1 . . . . . 119 ASP CA . 27285 1 297 . 1 1 120 120 ASP N N 15 130.691 0.3 . 1 . . . . . 119 ASP N . 27285 1 298 . 1 1 121 121 GLY H H 1 9.202 0.020 . 1 . . . . . 120 GLY H . 27285 1 299 . 1 1 121 121 GLY CA C 13 43.918 0.3 . 1 . . . . . 120 GLY CA . 27285 1 300 . 1 1 121 121 GLY N N 15 102.987 0.3 . 1 . . . . . 120 GLY N . 27285 1 301 . 1 1 122 122 CYS H H 1 7.206 0.020 . 1 . . . . . 121 CYS H . 27285 1 302 . 1 1 122 122 CYS CA C 13 56.247 0.3 . 1 . . . . . 121 CYS CA . 27285 1 303 . 1 1 122 122 CYS CB C 13 29.590 0.3 . 1 . . . . . 121 CYS CB . 27285 1 304 . 1 1 122 122 CYS N N 15 117.407 0.3 . 1 . . . . . 121 CYS N . 27285 1 305 . 1 1 123 123 ASP H H 1 8.474 0.020 . 1 . . . . . 122 ASP H . 27285 1 306 . 1 1 123 123 ASP CA C 13 56.961 0.3 . 1 . . . . . 122 ASP CA . 27285 1 307 . 1 1 123 123 ASP CB C 13 40.611 0.3 . 1 . . . . . 122 ASP CB . 27285 1 308 . 1 1 123 123 ASP N N 15 123.795 0.3 . 1 . . . . . 122 ASP N . 27285 1 309 . 1 1 124 124 TYR H H 1 8.789 0.020 . 1 . . . . . 123 TYR H . 27285 1 310 . 1 1 124 124 TYR CA C 13 59.760 0.3 . 1 . . . . . 123 TYR CA . 27285 1 311 . 1 1 124 124 TYR N N 15 123.894 0.3 . 1 . . . . . 123 TYR N . 27285 1 312 . 1 1 125 125 ILE H H 1 7.315 0.020 . 1 . . . . . 124 ILE H . 27285 1 313 . 1 1 125 125 ILE CA C 13 59.713 0.3 . 1 . . . . . 124 ILE CA . 27285 1 314 . 1 1 125 125 ILE N N 15 116.201 0.3 . 1 . . . . . 124 ILE N . 27285 1 315 . 1 1 126 126 ALA H H 1 8.262 0.020 . 1 . . . . . 125 ALA H . 27285 1 316 . 1 1 126 126 ALA CA C 13 51.065 0.3 . 1 . . . . . 125 ALA CA . 27285 1 317 . 1 1 126 126 ALA N N 15 126.327 0.3 . 1 . . . . . 125 ALA N . 27285 1 318 . 1 1 136 136 ALA H H 1 9.045 0.020 . 1 . . . . . 135 ALA H . 27285 1 319 . 1 1 136 136 ALA CA C 13 49.958 0.3 . 1 . . . . . 135 ALA CA . 27285 1 320 . 1 1 136 136 ALA N N 15 132.796 0.3 . 1 . . . . . 135 ALA N . 27285 1 321 . 1 1 137 137 ALA H H 1 8.278 0.020 . 1 . . . . . 136 ALA H . 27285 1 322 . 1 1 137 137 ALA CA C 13 53.824 0.3 . 1 . . . . . 136 ALA CA . 27285 1 323 . 1 1 137 137 ALA N N 15 125.326 0.3 . 1 . . . . . 136 ALA N . 27285 1 324 . 1 1 138 138 ASP H H 1 7.026 0.020 . 1 . . . . . 137 ASP H . 27285 1 325 . 1 1 138 138 ASP CA C 13 52.173 0.3 . 1 . . . . . 137 ASP CA . 27285 1 326 . 1 1 138 138 ASP CB C 13 41.236 0.3 . 1 . . . . . 137 ASP CB . 27285 1 327 . 1 1 138 138 ASP N N 15 114.817 0.3 . 1 . . . . . 137 ASP N . 27285 1 328 . 1 1 139 139 MET H H 1 7.910 0.020 . 1 . . . . . 138 MET H . 27285 1 329 . 1 1 139 139 MET CA C 13 57.605 0.3 . 1 . . . . . 138 MET CA . 27285 1 330 . 1 1 139 139 MET CB C 13 41.314 0.3 . 1 . . . . . 138 MET CB . 27285 1 331 . 1 1 139 139 MET N N 15 115.919 0.3 . 1 . . . . . 138 MET N . 27285 1 332 . 1 1 140 140 ALA H H 1 7.620 0.020 . 1 . . . . . 139 ALA H . 27285 1 333 . 1 1 140 140 ALA CA C 13 54.067 0.3 . 1 . . . . . 139 ALA CA . 27285 1 334 . 1 1 140 140 ALA CB C 13 17.175 0.3 . 1 . . . . . 139 ALA CB . 27285 1 335 . 1 1 140 140 ALA N N 15 126.045 0.3 . 1 . . . . . 139 ALA N . 27285 1 336 . 1 1 141 141 ALA H H 1 7.937 0.020 . 1 . . . . . 140 ALA H . 27285 1 337 . 1 1 141 141 ALA CA C 13 53.438 0.3 . 1 . . . . . 140 ALA CA . 27285 1 338 . 1 1 141 141 ALA N N 15 118.350 0.3 . 1 . . . . . 140 ALA N . 27285 1 339 . 1 1 142 142 LEU H H 1 7.159 0.020 . 1 . . . . . 141 LEU H . 27285 1 340 . 1 1 142 142 LEU CA C 13 56.819 0.3 . 1 . . . . . 141 LEU CA . 27285 1 341 . 1 1 142 142 LEU N N 15 118.170 0.3 . 1 . . . . . 141 LEU N . 27285 1 342 . 1 1 144 144 THR H H 1 6.438 0.020 . 1 . . . . . 143 THR H . 27285 1 343 . 1 1 144 144 THR CA C 13 66.324 0.3 . 1 . . . . . 143 THR CA . 27285 1 344 . 1 1 144 144 THR N N 15 118.027 0.3 . 1 . . . . . 143 THR N . 27285 1 345 . 1 1 148 148 TRP H H 1 9.225 0.020 . 1 . . . . . 147 TRP H . 27285 1 346 . 1 1 148 148 TRP CA C 13 54.016 0.3 . 1 . . . . . 147 TRP CA . 27285 1 347 . 1 1 148 148 TRP N N 15 127.733 0.3 . 1 . . . . . 147 TRP N . 27285 1 348 . 1 1 149 149 GLU H H 1 8.184 0.020 . 1 . . . . . 148 GLU H . 27285 1 349 . 1 1 149 149 GLU CA C 13 53.888 0.3 . 1 . . . . . 148 GLU CA . 27285 1 350 . 1 1 149 149 GLU CB C 13 33.811 0.3 . 1 . . . . . 148 GLU CB . 27285 1 351 . 1 1 149 149 GLU N N 15 118.451 0.3 . 1 . . . . . 148 GLU N . 27285 1 352 . 1 1 150 150 GLN H H 1 9.930 0.020 . 1 . . . . . 149 GLN H . 27285 1 353 . 1 1 150 150 GLN CA C 13 58.141 0.3 . 1 . . . . . 149 GLN CA . 27285 1 354 . 1 1 150 150 GLN N N 15 124.639 0.3 . 1 . . . . . 149 GLN N . 27285 1 355 . 1 1 151 151 ALA H H 1 7.190 0.020 . 1 . . . . . 150 ALA H . 27285 1 356 . 1 1 151 151 ALA C C 13 171.733 0.3 . 1 . . . . . 150 ALA C . 27285 1 357 . 1 1 151 151 ALA CA C 13 51.788 0.3 . 1 . . . . . 150 ALA CA . 27285 1 358 . 1 1 151 151 ALA CB C 13 30.072 0.3 . 1 . . . . . 150 ALA CB . 27285 1 359 . 1 1 151 151 ALA N N 15 128.296 0.3 . 1 . . . . . 150 ALA N . 27285 1 360 . 1 1 152 152 GLY H H 1 7.620 0.020 . 1 . . . . . 151 GLY H . 27285 1 361 . 1 1 152 152 GLY CA C 13 46.313 0.3 . 1 . . . . . 151 GLY CA . 27285 1 362 . 1 1 152 152 GLY N N 15 108.325 0.3 . 1 . . . . . 151 GLY N . 27285 1 363 . 1 1 153 153 GLU H H 1 9.219 0.020 . 1 . . . . . 152 GLU H . 27285 1 364 . 1 1 153 153 GLU CA C 13 53.102 0.3 . 1 . . . . . 152 GLU CA . 27285 1 365 . 1 1 153 153 GLU N N 15 111.631 0.3 . 1 . . . . . 152 GLU N . 27285 1 366 . 1 1 162 162 GLU H H 1 8.625 0.020 . 1 . . . . . 161 GLU H . 27285 1 367 . 1 1 162 162 GLU CA C 13 57.030 0.3 . 1 . . . . . 161 GLU CA . 27285 1 368 . 1 1 162 162 GLU N N 15 125.113 0.3 . 1 . . . . . 161 GLU N . 27285 1 369 . 1 1 163 163 GLY H H 1 7.268 0.020 . 1 . . . . . 162 GLY H . 27285 1 370 . 1 1 163 163 GLY CA C 13 45.419 0.3 . 1 . . . . . 162 GLY CA . 27285 1 371 . 1 1 163 163 GLY N N 15 108.606 0.3 . 1 . . . . . 162 GLY N . 27285 1 372 . 1 1 164 164 THR H H 1 7.952 0.020 . 1 . . . . . 163 THR H . 27285 1 373 . 1 1 164 164 THR CA C 13 66.431 0.3 . 1 . . . . . 163 THR CA . 27285 1 374 . 1 1 164 164 THR N N 15 124.446 0.3 . 1 . . . . . 163 THR N . 27285 1 375 . 1 1 168 168 TRP H H 1 8.583 0.020 . 1 . . . . . 167 TRP H . 27285 1 376 . 1 1 168 168 TRP CA C 13 61.285 0.3 . 1 . . . . . 167 TRP CA . 27285 1 377 . 1 1 168 168 TRP N N 15 119.864 0.3 . 1 . . . . . 167 TRP N . 27285 1 378 . 1 1 169 169 LEU H H 1 8.245 0.020 . 1 . . . . . 168 LEU H . 27285 1 379 . 1 1 169 169 LEU CA C 13 58.748 0.3 . 1 . . . . . 168 LEU CA . 27285 1 380 . 1 1 169 169 LEU N N 15 121.877 0.3 . 1 . . . . . 168 LEU N . 27285 1 381 . 1 1 170 170 ARG H H 1 7.495 0.020 . 1 . . . . . 169 ARG H . 27285 1 382 . 1 1 170 170 ARG CA C 13 59.701 0.3 . 1 . . . . . 169 ARG CA . 27285 1 383 . 1 1 170 170 ARG N N 15 116.054 0.3 . 1 . . . . . 169 ARG N . 27285 1 384 . 1 1 171 171 ARG H H 1 6.830 0.020 . 1 . . . . . 170 ARG H . 27285 1 385 . 1 1 171 171 ARG CA C 13 58.712 0.3 . 1 . . . . . 170 ARG CA . 27285 1 386 . 1 1 171 171 ARG N N 15 121.545 0.3 . 1 . . . . . 170 ARG N . 27285 1 387 . 1 1 172 172 TYR H H 1 8.685 0.020 . 1 . . . . . 171 TYR H . 27285 1 388 . 1 1 172 172 TYR CA C 13 58.069 0.3 . 1 . . . . . 171 TYR CA . 27285 1 389 . 1 1 172 172 TYR N N 15 120.982 0.3 . 1 . . . . . 171 TYR N . 27285 1 390 . 1 1 173 173 LEU H H 1 8.442 0.020 . 1 . . . . . 172 LEU H . 27285 1 391 . 1 1 173 173 LEU CA C 13 56.961 0.3 . 1 . . . . . 172 LEU CA . 27285 1 392 . 1 1 173 173 LEU N N 15 118.170 0.3 . 1 . . . . . 172 LEU N . 27285 1 393 . 1 1 174 174 LYS H H 1 7.213 0.020 . 1 . . . . . 173 LYS H . 27285 1 394 . 1 1 174 174 LYS CA C 13 58.677 0.3 . 1 . . . . . 173 LYS CA . 27285 1 395 . 1 1 174 174 LYS N N 15 119.576 0.3 . 1 . . . . . 173 LYS N . 27285 1 396 . 1 1 175 175 ASN H H 1 8.078 0.020 . 1 . . . . . 174 ASN H . 27285 1 397 . 1 1 175 175 ASN CA C 13 54.587 0.3 . 1 . . . . . 174 ASN CA . 27285 1 398 . 1 1 175 175 ASN N N 15 118.816 0.3 . 1 . . . . . 174 ASN N . 27285 1 399 . 1 1 176 176 GLY H H 1 8.193 0.020 . 1 . . . . . 175 GLY H . 27285 1 400 . 1 1 176 176 GLY CA C 13 43.311 0.3 . 1 . . . . . 175 GLY CA . 27285 1 401 . 1 1 176 176 GLY N N 15 108.625 0.3 . 1 . . . . . 175 GLY N . 27285 1 402 . 1 1 177 177 ASN H H 1 7.072 0.020 . 1 . . . . . 176 ASN H . 27285 1 403 . 1 1 177 177 ASN CA C 13 57.926 0.3 . 1 . . . . . 176 ASN CA . 27285 1 404 . 1 1 177 177 ASN N N 15 121.264 0.3 . 1 . . . . . 176 ASN N . 27285 1 405 . 1 1 178 178 ALA H H 1 8.302 0.020 . 1 . . . . . 177 ALA H . 27285 1 406 . 1 1 178 178 ALA CA C 13 54.496 0.3 . 1 . . . . . 177 ALA CA . 27285 1 407 . 1 1 178 178 ALA N N 15 119.576 0.3 . 1 . . . . . 177 ALA N . 27285 1 408 . 1 1 180 180 LEU H H 1 8.928 0.020 . 1 . . . . . 179 LEU H . 27285 1 409 . 1 1 180 180 LEU CA C 13 56.747 0.3 . 1 . . . . . 179 LEU CA . 27285 1 410 . 1 1 180 180 LEU N N 15 124.076 0.3 . 1 . . . . . 179 LEU N . 27285 1 411 . 1 1 181 181 LEU H H 1 7.534 0.020 . 1 . . . . . 180 LEU H . 27285 1 412 . 1 1 181 181 LEU CA C 13 53.924 0.3 . 1 . . . . . 180 LEU CA . 27285 1 413 . 1 1 181 181 LEU N N 15 117.888 0.3 . 1 . . . . . 180 LEU N . 27285 1 414 . 1 1 182 182 ARG H H 1 6.791 0.020 . 1 . . . . . 181 ARG H . 27285 1 415 . 1 1 182 182 ARG CA C 13 55.746 0.3 . 1 . . . . . 181 ARG CA . 27285 1 416 . 1 1 182 182 ARG N N 15 121.264 0.3 . 1 . . . . . 181 ARG N . 27285 1 417 . 1 1 183 183 THR H H 1 8.200 0.020 . 1 . . . . . 182 THR H . 27285 1 418 . 1 1 183 183 THR CA C 13 60.678 0.3 . 1 . . . . . 182 THR CA . 27285 1 419 . 1 1 183 183 THR N N 15 114.232 0.3 . 1 . . . . . 182 THR N . 27285 1 420 . 1 1 184 184 ASP H H 1 9.687 0.020 . 1 . . . . . 183 ASP H . 27285 1 421 . 1 1 184 184 ASP CA C 13 53.352 0.3 . 1 . . . . . 183 ASP CA . 27285 1 422 . 1 1 184 184 ASP N N 15 126.889 0.3 . 1 . . . . . 183 ASP N . 27285 1 423 . 1 1 185 185 SER H H 1 8.756 0.020 . 1 . . . . . 184 SER H . 27285 1 424 . 1 1 185 185 SER CA C 13 56.854 0.3 . 1 . . . . . 184 SER CA . 27285 1 425 . 1 1 185 185 SER CB C 13 61.716 0.3 . 1 . . . . . 184 SER CB . 27285 1 426 . 1 1 185 185 SER N N 15 120.139 0.3 . 1 . . . . . 184 SER N . 27285 1 427 . 1 1 187 187 LYS H H 1 9.012 0.020 . 1 . . . . . 186 LYS H . 27285 1 428 . 1 1 187 187 LYS CA C 13 55.568 0.3 . 1 . . . . . 186 LYS CA . 27285 1 429 . 1 1 187 187 LYS CB C 13 31.153 0.3 . 1 . . . . . 186 LYS CB . 27285 1 430 . 1 1 187 187 LYS N N 15 123.773 0.3 . 1 . . . . . 186 LYS N . 27285 1 431 . 1 1 188 188 ALA H H 1 8.740 0.020 . 1 . . . . . 187 ALA H . 27285 1 432 . 1 1 188 188 ALA C C 13 175.977 0.3 . 1 . . . . . 187 ALA C . 27285 1 433 . 1 1 188 188 ALA CA C 13 50.315 0.3 . 1 . . . . . 187 ALA CA . 27285 1 434 . 1 1 188 188 ALA CB C 13 23.819 0.3 . 1 . . . . . 187 ALA CB . 27285 1 435 . 1 1 188 188 ALA N N 15 130.546 0.3 . 1 . . . . . 187 ALA N . 27285 1 436 . 1 1 189 189 HIS H H 1 8.341 0.020 . 1 . . . . . 188 HIS H . 27285 1 437 . 1 1 189 189 HIS CA C 13 56.068 0.3 . 1 . . . . . 188 HIS CA . 27285 1 438 . 1 1 189 189 HIS N N 15 117.544 0.3 . 1 . . . . . 188 HIS N . 27285 1 439 . 1 1 190 190 VAL H H 1 8.599 0.020 . 1 . . . . . 189 VAL H . 27285 1 440 . 1 1 190 190 VAL CA C 13 60.249 0.3 . 1 . . . . . 189 VAL CA . 27285 1 441 . 1 1 190 190 VAL CB C 13 34.201 0.3 . 1 . . . . . 189 VAL CB . 27285 1 442 . 1 1 190 190 VAL N N 15 120.982 0.3 . 1 . . . . . 189 VAL N . 27285 1 443 . 1 1 191 191 THR H H 1 9.789 0.020 . 1 . . . . . 190 THR H . 27285 1 444 . 1 1 191 191 THR CA C 13 60.428 0.3 . 1 . . . . . 190 THR CA . 27285 1 445 . 1 1 191 191 THR N N 15 119.988 0.3 . 1 . . . . . 190 THR N . 27285 1 446 . 1 1 192 192 HIS H H 1 7.692 0.020 . 1 . . . . . 191 HIS H . 27285 1 447 . 1 1 192 192 HIS CA C 13 54.817 0.3 . 1 . . . . . 191 HIS CA . 27285 1 448 . 1 1 192 192 HIS CB C 13 32.638 0.3 . 1 . . . . . 191 HIS CB . 27285 1 449 . 1 1 192 192 HIS N N 15 122.664 0.3 . 1 . . . . . 191 HIS N . 27285 1 450 . 1 1 193 193 HIS H H 1 8.067 0.020 . 1 . . . . . 192 HIS H . 27285 1 451 . 1 1 193 193 HIS CA C 13 53.567 0.3 . 1 . . . . . 192 HIS CA . 27285 1 452 . 1 1 193 193 HIS CB C 13 30.059 0.3 . 1 . . . . . 192 HIS CB . 27285 1 453 . 1 1 193 193 HIS N N 15 123.795 0.3 . 1 . . . . . 192 HIS N . 27285 1 454 . 1 1 194 194 SER H H 1 9.155 0.020 . 1 . . . . . 193 SER H . 27285 1 455 . 1 1 194 194 SER CA C 13 54.210 0.3 . 1 . . . . . 193 SER CA . 27285 1 456 . 1 1 194 194 SER N N 15 126.608 0.3 . 1 . . . . . 193 SER N . 27285 1 457 . 1 1 199 199 LYS H H 1 7.057 0.020 . 1 . . . . . 198 LYS H . 27285 1 458 . 1 1 199 199 LYS CA C 13 53.745 0.3 . 1 . . . . . 198 LYS CA . 27285 1 459 . 1 1 199 199 LYS N N 15 119.295 0.3 . 1 . . . . . 198 LYS N . 27285 1 460 . 1 1 200 200 VAL H H 1 8.936 0.020 . 1 . . . . . 199 VAL H . 27285 1 461 . 1 1 200 200 VAL CA C 13 59.642 0.3 . 1 . . . . . 199 VAL CA . 27285 1 462 . 1 1 200 200 VAL N N 15 119.857 0.3 . 1 . . . . . 199 VAL N . 27285 1 463 . 1 1 201 201 THR H H 1 8.756 0.020 . 1 . . . . . 200 THR H . 27285 1 464 . 1 1 201 201 THR CA C 13 61.571 0.3 . 1 . . . . . 200 THR CA . 27285 1 465 . 1 1 201 201 THR N N 15 122.686 0.3 . 1 . . . . . 200 THR N . 27285 1 466 . 1 1 202 202 LEU H H 1 8.529 0.020 . 1 . . . . . 201 LEU H . 27285 1 467 . 1 1 202 202 LEU CA C 13 52.102 0.3 . 1 . . . . . 201 LEU CA . 27285 1 468 . 1 1 202 202 LEU N N 15 127.452 0.3 . 1 . . . . . 201 LEU N . 27285 1 469 . 1 1 203 203 ARG H H 1 8.851 0.020 . 1 . . . . . 202 ARG H . 27285 1 470 . 1 1 203 203 ARG CA C 13 54.889 0.3 . 1 . . . . . 202 ARG CA . 27285 1 471 . 1 1 203 203 ARG CB C 13 31.075 0.3 . 1 . . . . . 202 ARG CB . 27285 1 472 . 1 1 203 203 ARG N N 15 124.904 0.3 . 1 . . . . . 202 ARG N . 27285 1 473 . 1 1 204 204 CYS H H 1 9.609 0.020 . 1 . . . . . 203 CYS H . 27285 1 474 . 1 1 204 204 CYS CA C 13 53.066 0.3 . 1 . . . . . 203 CYS CA . 27285 1 475 . 1 1 204 204 CYS CB C 13 40.547 0.3 . 1 . . . . . 203 CYS CB . 27285 1 476 . 1 1 204 204 CYS N N 15 129.421 0.3 . 1 . . . . . 203 CYS N . 27285 1 477 . 1 1 205 205 TRP H H 1 9.288 0.020 . 1 . . . . . 204 TRP H . 27285 1 478 . 1 1 205 205 TRP CA C 13 56.442 0.3 . 1 . . . . . 204 TRP CA . 27285 1 479 . 1 1 205 205 TRP CB C 13 30.698 0.3 . 1 . . . . . 204 TRP CB . 27285 1 480 . 1 1 205 205 TRP N N 15 127.733 0.3 . 1 . . . . . 204 TRP N . 27285 1 481 . 1 1 206 206 ALA H H 1 8.996 0.020 . 1 . . . . . 205 ALA H . 27285 1 482 . 1 1 206 206 ALA CA C 13 50.565 0.3 . 1 . . . . . 205 ALA CA . 27285 1 483 . 1 1 206 206 ALA N N 15 120.642 0.3 . 1 . . . . . 205 ALA N . 27285 1 484 . 1 1 207 207 LEU H H 1 8.920 0.020 . 1 . . . . . 206 LEU H . 27285 1 485 . 1 1 207 207 LEU CA C 13 53.531 0.3 . 1 . . . . . 206 LEU CA . 27285 1 486 . 1 1 207 207 LEU N N 15 121.826 0.3 . 1 . . . . . 206 LEU N . 27285 1 487 . 1 1 208 208 GLY H H 1 8.537 0.020 . 1 . . . . . 207 GLY H . 27285 1 488 . 1 1 208 208 GLY CA C 13 46.313 0.3 . 1 . . . . . 207 GLY CA . 27285 1 489 . 1 1 208 208 GLY N N 15 110.430 0.3 . 1 . . . . . 207 GLY N . 27285 1 490 . 1 1 209 209 PHE H H 1 7.299 0.020 . 1 . . . . . 208 PHE H . 27285 1 491 . 1 1 209 209 PHE CA C 13 53.710 0.3 . 1 . . . . . 208 PHE CA . 27285 1 492 . 1 1 209 209 PHE CB C 13 41.236 0.3 . 1 . . . . . 208 PHE CB . 27285 1 493 . 1 1 209 209 PHE N N 15 111.982 0.3 . 1 . . . . . 208 PHE N . 27285 1 494 . 1 1 210 210 TYR H H 1 9.006 0.020 . 1 . . . . . 209 TYR H . 27285 1 495 . 1 1 210 210 TYR CA C 13 58.176 0.3 . 1 . . . . . 209 TYR CA . 27285 1 496 . 1 1 210 210 TYR N N 15 120.701 0.3 . 1 . . . . . 209 TYR N . 27285 1 497 . 1 1 212 212 ALA H H 1 8.012 0.020 . 1 . . . . . 211 ALA H . 27285 1 498 . 1 1 212 212 ALA CA C 13 54.246 0.3 . 1 . . . . . 211 ALA CA . 27285 1 499 . 1 1 212 212 ALA CB C 13 16.685 0.3 . 1 . . . . . 211 ALA CB . 27285 1 500 . 1 1 212 212 ALA N N 15 119.576 0.3 . 1 . . . . . 211 ALA N . 27285 1 501 . 1 1 213 213 ASP H H 1 7.151 0.020 . 1 . . . . . 212 ASP H . 27285 1 502 . 1 1 213 213 ASP CA C 13 55.210 0.3 . 1 . . . . . 212 ASP CA . 27285 1 503 . 1 1 213 213 ASP CB C 13 39.986 0.3 . 1 . . . . . 212 ASP CB . 27285 1 504 . 1 1 213 213 ASP N N 15 116.482 0.3 . 1 . . . . . 212 ASP N . 27285 1 505 . 1 1 214 214 ILE H H 1 7.464 0.020 . 1 . . . . . 213 ILE H . 27285 1 506 . 1 1 214 214 ILE C C 13 172.577 0.3 . 1 . . . . . 213 ILE C . 27285 1 507 . 1 1 214 214 ILE CA C 13 60.356 0.3 . 1 . . . . . 213 ILE CA . 27285 1 508 . 1 1 214 214 ILE CB C 13 39.360 0.3 . 1 . . . . . 213 ILE CB . 27285 1 509 . 1 1 214 214 ILE N N 15 123.514 0.3 . 1 . . . . . 213 ILE N . 27285 1 510 . 1 1 215 215 THR H H 1 8.097 0.020 . 1 . . . . . 214 THR H . 27285 1 511 . 1 1 215 215 THR CA C 13 61.893 0.3 . 1 . . . . . 214 THR CA . 27285 1 512 . 1 1 215 215 THR CB C 13 70.632 0.3 . 1 . . . . . 214 THR CB . 27285 1 513 . 1 1 215 215 THR N N 15 121.517 0.3 . 1 . . . . . 214 THR N . 27285 1 514 . 1 1 216 216 LEU H H 1 8.489 0.020 . 1 . . . . . 215 LEU H . 27285 1 515 . 1 1 216 216 LEU C C 13 175.563 0.3 . 1 . . . . . 215 LEU C . 27285 1 516 . 1 1 216 216 LEU CA C 13 53.388 0.3 . 1 . . . . . 215 LEU CA . 27285 1 517 . 1 1 216 216 LEU CB C 13 44.611 0.3 . 1 . . . . . 215 LEU CB . 27285 1 518 . 1 1 216 216 LEU N N 15 128.577 0.3 . 1 . . . . . 215 LEU N . 27285 1 519 . 1 1 217 217 THR H H 1 8.709 0.020 . 1 . . . . . 216 THR H . 27285 1 520 . 1 1 217 217 THR CA C 13 59.784 0.3 . 1 . . . . . 216 THR CA . 27285 1 521 . 1 1 217 217 THR N N 15 115.076 0.3 . 1 . . . . . 216 THR N . 27285 1 522 . 1 1 218 218 TRP H H 1 8.168 0.020 . 1 . . . . . 217 TRP H . 27285 1 523 . 1 1 218 218 TRP CA C 13 53.066 0.3 . 1 . . . . . 217 TRP CA . 27285 1 524 . 1 1 218 218 TRP CB C 13 30.997 0.3 . 1 . . . . . 217 TRP CB . 27285 1 525 . 1 1 218 218 TRP N N 15 124.639 0.3 . 1 . . . . . 217 TRP N . 27285 1 526 . 1 1 222 222 GLY H H 1 8.591 0.020 . 1 . . . . . 221 GLY H . 27285 1 527 . 1 1 222 222 GLY CA C 13 45.226 0.3 . 1 . . . . . 221 GLY CA . 27285 1 528 . 1 1 222 222 GLY N N 15 105.231 0.3 . 1 . . . . . 221 GLY N . 27285 1 529 . 1 1 223 223 GLU H H 1 7.628 0.020 . 1 . . . . . 222 GLU H . 27285 1 530 . 1 1 223 223 GLU CA C 13 54.710 0.3 . 1 . . . . . 222 GLU CA . 27285 1 531 . 1 1 223 223 GLU N N 15 119.857 0.3 . 1 . . . . . 222 GLU N . 27285 1 532 . 1 1 224 224 GLU H H 1 8.435 0.020 . 1 . . . . . 223 GLU H . 27285 1 533 . 1 1 224 224 GLU CA C 13 56.390 0.3 . 1 . . . . . 223 GLU CA . 27285 1 534 . 1 1 224 224 GLU N N 15 123.233 0.3 . 1 . . . . . 223 GLU N . 27285 1 535 . 1 1 225 225 LEU H H 1 8.536 0.020 . 1 . . . . . 224 LEU H . 27285 1 536 . 1 1 225 225 LEU CA C 13 54.210 0.3 . 1 . . . . . 224 LEU CA . 27285 1 537 . 1 1 225 225 LEU CB C 13 40.845 0.3 . 1 . . . . . 224 LEU CB . 27285 1 538 . 1 1 225 225 LEU N N 15 127.570 0.3 . 1 . . . . . 224 LEU N . 27285 1 539 . 1 1 226 226 ILE H H 1 7.503 0.020 . 1 . . . . . 225 ILE H . 27285 1 540 . 1 1 226 226 ILE CA C 13 54.889 0.3 . 1 . . . . . 225 ILE CA . 27285 1 541 . 1 1 226 226 ILE CB C 13 34.905 0.3 . 1 . . . . . 225 ILE CB . 27285 1 542 . 1 1 226 226 ILE N N 15 120.420 0.3 . 1 . . . . . 225 ILE N . 27285 1 543 . 1 1 230 230 GLU H H 1 8.857 0.020 . 1 . . . . . 229 GLU H . 27285 1 544 . 1 1 230 230 GLU CA C 13 55.139 0.3 . 1 . . . . . 229 GLU CA . 27285 1 545 . 1 1 230 230 GLU CB C 13 30.932 0.3 . 1 . . . . . 229 GLU CB . 27285 1 546 . 1 1 230 230 GLU N N 15 125.483 0.3 . 1 . . . . . 229 GLU N . 27285 1 547 . 1 1 231 231 LEU H H 1 8.489 0.020 . 1 . . . . . 230 LEU H . 27285 1 548 . 1 1 231 231 LEU CA C 13 53.817 0.3 . 1 . . . . . 230 LEU CA . 27285 1 549 . 1 1 231 231 LEU CB C 13 44.754 0.3 . 1 . . . . . 230 LEU CB . 27285 1 550 . 1 1 231 231 LEU N N 15 124.639 0.3 . 1 . . . . . 230 LEU N . 27285 1 551 . 1 1 232 232 VAL H H 1 6.399 0.020 . 1 . . . . . 231 VAL H . 27285 1 552 . 1 1 232 232 VAL CA C 13 58.391 0.3 . 1 . . . . . 231 VAL CA . 27285 1 553 . 1 1 232 232 VAL CB C 13 32.325 0.3 . 1 . . . . . 231 VAL CB . 27285 1 554 . 1 1 232 232 VAL N N 15 115.076 0.3 . 1 . . . . . 231 VAL N . 27285 1 555 . 1 1 233 233 GLU H H 1 8.262 0.020 . 1 . . . . . 232 GLU H . 27285 1 556 . 1 1 233 233 GLU CA C 13 56.068 0.3 . 1 . . . . . 232 GLU CA . 27285 1 557 . 1 1 233 233 GLU CB C 13 28.808 0.3 . 1 . . . . . 232 GLU CB . 27285 1 558 . 1 1 233 233 GLU N N 15 124.076 0.3 . 1 . . . . . 232 GLU N . 27285 1 559 . 1 1 234 234 THR H H 1 8.623 0.020 . 1 . . . . . 233 THR H . 27285 1 560 . 1 1 234 234 THR CA C 13 64.144 0.3 . 1 . . . . . 233 THR CA . 27285 1 561 . 1 1 234 234 THR N N 15 122.670 0.3 . 1 . . . . . 233 THR N . 27285 1 562 . 1 1 235 235 ARG H H 1 8.802 0.020 . 1 . . . . . 234 ARG H . 27285 1 563 . 1 1 235 235 ARG CA C 13 50.708 0.3 . 1 . . . . . 234 ARG CA . 27285 1 564 . 1 1 235 235 ARG N N 15 124.501 0.3 . 1 . . . . . 234 ARG N . 27285 1 565 . 1 1 238 238 GLY H H 1 8.497 0.020 . 1 . . . . . 237 GLY H . 27285 1 566 . 1 1 238 238 GLY CA C 13 43.847 0.3 . 1 . . . . . 237 GLY CA . 27285 1 567 . 1 1 238 238 GLY N N 15 106.637 0.3 . 1 . . . . . 237 GLY N . 27285 1 568 . 1 1 239 239 ASP H H 1 7.307 0.020 . 1 . . . . . 238 ASP H . 27285 1 569 . 1 1 239 239 ASP CA C 13 51.315 0.3 . 1 . . . . . 238 ASP CA . 27285 1 570 . 1 1 239 239 ASP N N 15 118.451 0.3 . 1 . . . . . 238 ASP N . 27285 1 571 . 1 1 240 240 GLY H H 1 8.261 0.020 . 1 . . . . . 239 GLY H . 27285 1 572 . 1 1 240 240 GLY CA C 13 44.204 0.3 . 1 . . . . . 239 GLY CA . 27285 1 573 . 1 1 240 240 GLY N N 15 110.011 0.3 . 1 . . . . . 239 GLY N . 27285 1 574 . 1 1 241 241 THR H H 1 7.503 0.020 . 1 . . . . . 240 THR H . 27285 1 575 . 1 1 241 241 THR CA C 13 59.856 0.3 . 1 . . . . . 240 THR CA . 27285 1 576 . 1 1 241 241 THR N N 15 110.575 0.3 . 1 . . . . . 240 THR N . 27285 1 577 . 1 1 242 242 PHE H H 1 8.568 0.020 . 1 . . . . . 241 PHE H . 27285 1 578 . 1 1 242 242 PHE CA C 13 57.462 0.3 . 1 . . . . . 241 PHE CA . 27285 1 579 . 1 1 242 242 PHE N N 15 120.420 0.3 . 1 . . . . . 241 PHE N . 27285 1 580 . 1 1 243 243 GLN H H 1 8.482 0.020 . 1 . . . . . 242 GLN H . 27285 1 581 . 1 1 243 243 GLN CA C 13 52.816 0.3 . 1 . . . . . 242 GLN CA . 27285 1 582 . 1 1 243 243 GLN N N 15 111.700 0.3 . 1 . . . . . 242 GLN N . 27285 1 583 . 1 1 244 244 LYS H H 1 9.355 0.020 . 1 . . . . . 243 LYS H . 27285 1 584 . 1 1 244 244 LYS CA C 13 56.961 0.3 . 1 . . . . . 243 LYS CA . 27285 1 585 . 1 1 244 244 LYS CB C 13 38.110 0.3 . 1 . . . . . 243 LYS CB . 27285 1 586 . 1 1 244 244 LYS N N 15 120.845 0.3 . 1 . . . . . 243 LYS N . 27285 1 587 . 1 1 245 245 TRP H H 1 6.102 0.020 . 1 . . . . . 244 TRP H . 27285 1 588 . 1 1 245 245 TRP CA C 13 54.738 0.3 . 1 . . . . . 244 TRP CA . 27285 1 589 . 1 1 245 245 TRP CB C 13 33.342 0.3 . 1 . . . . . 244 TRP CB . 27285 1 590 . 1 1 245 245 TRP N N 15 116.882 0.3 . 1 . . . . . 244 TRP N . 27285 1 591 . 1 1 246 246 ALA H H 1 8.701 0.020 . 1 . . . . . 245 ALA H . 27285 1 592 . 1 1 246 246 ALA C C 13 178.049 0.3 . 1 . . . . . 245 ALA C . 27285 1 593 . 1 1 246 246 ALA CA C 13 50.779 0.3 . 1 . . . . . 245 ALA CA . 27285 1 594 . 1 1 246 246 ALA N N 15 119.295 0.3 . 1 . . . . . 245 ALA N . 27285 1 595 . 1 1 247 247 SER H H 1 10.940 0.020 . 1 . . . . . 246 SER H . 27285 1 596 . 1 1 247 247 SER CA C 13 56.425 0.3 . 1 . . . . . 246 SER CA . 27285 1 597 . 1 1 247 247 SER CB C 13 67.201 0.3 . 1 . . . . . 246 SER CB . 27285 1 598 . 1 1 247 247 SER N N 15 125.483 0.3 . 1 . . . . . 246 SER N . 27285 1 599 . 1 1 248 248 VAL H H 1 8.028 0.020 . 1 . . . . . 247 VAL H . 27285 1 600 . 1 1 248 248 VAL CA C 13 59.034 0.3 . 1 . . . . . 247 VAL CA . 27285 1 601 . 1 1 248 248 VAL CB C 13 34.514 0.3 . 1 . . . . . 247 VAL CB . 27285 1 602 . 1 1 248 248 VAL N N 15 114.513 0.3 . 1 . . . . . 247 VAL N . 27285 1 603 . 1 1 249 249 VAL H H 1 7.675 0.020 . 1 . . . . . 248 VAL H . 27285 1 604 . 1 1 249 249 VAL C C 13 176.149 0.3 . 1 . . . . . 248 VAL C . 27285 1 605 . 1 1 249 249 VAL CA C 13 60.856 0.3 . 1 . . . . . 248 VAL CA . 27285 1 606 . 1 1 249 249 VAL CB C 13 31.231 0.3 . 1 . . . . . 248 VAL CB . 27285 1 607 . 1 1 249 249 VAL N N 15 123.795 0.3 . 1 . . . . . 248 VAL N . 27285 1 608 . 1 1 250 250 VAL H H 1 9.014 0.020 . 1 . . . . . 249 VAL H . 27285 1 609 . 1 1 250 250 VAL CA C 13 56.568 0.3 . 1 . . . . . 249 VAL CA . 27285 1 610 . 1 1 250 250 VAL CB C 13 32.091 0.3 . 1 . . . . . 249 VAL CB . 27285 1 611 . 1 1 250 250 VAL N N 15 123.514 0.3 . 1 . . . . . 249 VAL N . 27285 1 612 . 1 1 252 252 LEU H H 1 7.761 0.020 . 1 . . . . . 251 LEU H . 27285 1 613 . 1 1 252 252 LEU CA C 13 56.447 0.3 . 1 . . . . . 251 LEU CA . 27285 1 614 . 1 1 252 252 LEU CB C 13 41.236 0.3 . 1 . . . . . 251 LEU CB . 27285 1 615 . 1 1 252 252 LEU N N 15 125.201 0.3 . 1 . . . . . 251 LEU N . 27285 1 616 . 1 1 253 253 GLY H H 1 8.912 0.020 . 1 . . . . . 252 GLY H . 27285 1 617 . 1 1 253 253 GLY CA C 13 45.062 0.3 . 1 . . . . . 252 GLY CA . 27285 1 618 . 1 1 253 253 GLY N N 15 117.729 0.3 . 1 . . . . . 252 GLY N . 27285 1 619 . 1 1 254 254 LYS H H 1 7.902 0.020 . 1 . . . . . 253 LYS H . 27285 1 620 . 1 1 254 254 LYS CA C 13 54.174 0.3 . 1 . . . . . 253 LYS CA . 27285 1 621 . 1 1 254 254 LYS N N 15 120.139 0.3 . 1 . . . . . 253 LYS N . 27285 1 622 . 1 1 255 255 GLU H H 1 10.799 0.020 . 1 . . . . . 254 GLU H . 27285 1 623 . 1 1 255 255 GLU CA C 13 61.464 0.3 . 1 . . . . . 254 GLU CA . 27285 1 624 . 1 1 255 255 GLU N N 15 121.545 0.3 . 1 . . . . . 254 GLU N . 27285 1 625 . 1 1 256 256 GLN H H 1 9.147 0.020 . 1 . . . . . 255 GLN H . 27285 1 626 . 1 1 256 256 GLN CA C 13 57.212 0.3 . 1 . . . . . 255 GLN CA . 27285 1 627 . 1 1 256 256 GLN N N 15 114.383 0.3 . 1 . . . . . 255 GLN N . 27285 1 628 . 1 1 257 257 TYR H H 1 7.757 0.020 . 1 . . . . . 256 TYR H . 27285 1 629 . 1 1 257 257 TYR CA C 13 58.427 0.3 . 1 . . . . . 256 TYR CA . 27285 1 630 . 1 1 257 257 TYR CB C 13 36.859 0.3 . 1 . . . . . 256 TYR CB . 27285 1 631 . 1 1 257 257 TYR N N 15 119.576 0.3 . 1 . . . . . 256 TYR N . 27285 1 632 . 1 1 259 259 THR H H 1 9.257 0.020 . 1 . . . . . 258 THR H . 27285 1 633 . 1 1 259 259 THR CA C 13 58.963 0.3 . 1 . . . . . 258 THR CA . 27285 1 634 . 1 1 259 259 THR N N 15 113.951 0.3 . 1 . . . . . 258 THR N . 27285 1 635 . 1 1 260 260 CYS H H 1 8.828 0.020 . 1 . . . . . 259 CYS H . 27285 1 636 . 1 1 260 260 CYS CA C 13 51.315 0.3 . 1 . . . . . 259 CYS CA . 27285 1 637 . 1 1 260 260 CYS CB C 13 40.298 0.3 . 1 . . . . . 259 CYS CB . 27285 1 638 . 1 1 260 260 CYS N N 15 125.481 0.3 . 1 . . . . . 259 CYS N . 27285 1 639 . 1 1 261 261 HIS H H 1 8.857 0.020 . 1 . . . . . 260 HIS H . 27285 1 640 . 1 1 261 261 HIS CA C 13 53.638 0.3 . 1 . . . . . 260 HIS CA . 27285 1 641 . 1 1 261 261 HIS CB C 13 30.463 0.3 . 1 . . . . . 260 HIS CB . 27285 1 642 . 1 1 261 261 HIS N N 15 128.014 0.3 . 1 . . . . . 260 HIS N . 27285 1 643 . 1 1 262 262 VAL H H 1 7.865 0.020 . 1 . . . . . 261 VAL H . 27285 1 644 . 1 1 262 262 VAL CA C 13 60.178 0.3 . 1 . . . . . 261 VAL CA . 27285 1 645 . 1 1 262 262 VAL N N 15 122.107 0.3 . 1 . . . . . 261 VAL N . 27285 1 646 . 1 1 263 263 TYR H H 1 8.646 0.020 . 1 . . . . . 262 TYR H . 27285 1 647 . 1 1 263 263 TYR CA C 13 55.496 0.3 . 1 . . . . . 262 TYR CA . 27285 1 648 . 1 1 263 263 TYR CB C 13 38.579 0.3 . 1 . . . . . 262 TYR CB . 27285 1 649 . 1 1 263 263 TYR N N 15 124.358 0.3 . 1 . . . . . 262 TYR N . 27285 1 650 . 1 1 264 264 HIS H H 1 8.012 0.020 . 1 . . . . . 263 HIS H . 27285 1 651 . 1 1 264 264 HIS CA C 13 57.426 0.3 . 1 . . . . . 263 HIS CA . 27285 1 652 . 1 1 264 264 HIS CB C 13 38.344 0.3 . 1 . . . . . 263 HIS CB . 27285 1 653 . 1 1 264 264 HIS N N 15 122.389 0.3 . 1 . . . . . 263 HIS N . 27285 1 654 . 1 1 265 265 GLN H H 1 8.192 0.020 . 1 . . . . . 264 GLN H . 27285 1 655 . 1 1 265 265 GLN CA C 13 57.802 0.3 . 1 . . . . . 264 GLN CA . 27285 1 656 . 1 1 265 265 GLN CB C 13 28.744 0.3 . 1 . . . . . 264 GLN CB . 27285 1 657 . 1 1 265 265 GLN N N 15 126.608 0.3 . 1 . . . . . 264 GLN N . 27285 1 658 . 1 1 266 266 GLY H H 1 10.689 0.020 . 1 . . . . . 265 GLY H . 27285 1 659 . 1 1 266 266 GLY CA C 13 44.652 0.3 . 1 . . . . . 265 GLY CA . 27285 1 660 . 1 1 266 266 GLY N N 15 111.982 0.3 . 1 . . . . . 265 GLY N . 27285 1 661 . 1 1 267 267 LEU H H 1 7.754 0.020 . 1 . . . . . 266 LEU H . 27285 1 662 . 1 1 267 267 LEU CA C 13 50.994 0.3 . 1 . . . . . 266 LEU CA . 27285 1 663 . 1 1 267 267 LEU CB C 13 41.471 0.3 . 1 . . . . . 266 LEU CB . 27285 1 664 . 1 1 267 267 LEU N N 15 122.107 0.3 . 1 . . . . . 266 LEU N . 27285 1 665 . 1 1 269 269 GLU H H 1 7.066 0.020 . 1 . . . . . 268 GLU H . 27285 1 666 . 1 1 269 269 GLU CA C 13 52.566 0.3 . 1 . . . . . 268 GLU CA . 27285 1 667 . 1 1 269 269 GLU CB C 13 30.371 0.3 . 1 . . . . . 268 GLU CB . 27285 1 668 . 1 1 269 269 GLU N N 15 114.794 0.3 . 1 . . . . . 268 GLU N . 27285 1 669 . 1 1 271 271 LEU H H 1 8.051 0.020 . 1 . . . . . 270 LEU H . 27285 1 670 . 1 1 271 271 LEU CA C 13 53.829 0.3 . 1 . . . . . 270 LEU CA . 27285 1 671 . 1 1 271 271 LEU N N 15 122.951 0.3 . 1 . . . . . 270 LEU N . 27285 1 672 . 1 1 272 272 THR H H 1 8.145 0.020 . 1 . . . . . 271 THR H . 27285 1 673 . 1 1 272 272 THR CA C 13 60.999 0.3 . 1 . . . . . 271 THR CA . 27285 1 674 . 1 1 272 272 THR CB C 13 69.532 0.3 . 1 . . . . . 271 THR CB . 27285 1 675 . 1 1 272 272 THR N N 15 118.170 0.3 . 1 . . . . . 271 THR N . 27285 1 676 . 1 1 273 273 LEU H H 1 8.815 0.020 . 1 . . . . . 272 LEU H . 27285 1 677 . 1 1 273 273 LEU CA C 13 53.209 0.3 . 1 . . . . . 272 LEU CA . 27285 1 678 . 1 1 273 273 LEU N N 15 125.481 0.3 . 1 . . . . . 272 LEU N . 27285 1 679 . 1 1 280 280 SER H H 1 8.309 0.020 . 1 . . . . . 279 SER H . 27285 1 680 . 1 1 280 280 SER C C 13 173.904 0.3 . 1 . . . . . 279 SER C . 27285 1 681 . 1 1 280 280 SER CA C 13 57.891 0.3 . 1 . . . . . 279 SER CA . 27285 1 682 . 1 1 280 280 SER CB C 13 63.201 0.3 . 1 . . . . . 279 SER CB . 27285 1 683 . 1 1 280 280 SER N N 15 117.326 0.3 . 1 . . . . . 279 SER N . 27285 1 684 . 1 1 281 281 THR H H 1 7.683 0.020 . 1 . . . . . 280 THR H . 27285 1 685 . 1 1 281 281 THR C C 13 179.140 0.3 . 1 . . . . . 280 THR C . 27285 1 686 . 1 1 281 281 THR CA C 13 62.786 0.3 . 1 . . . . . 280 THR CA . 27285 1 687 . 1 1 281 281 THR CB C 13 70.236 0.3 . 1 . . . . . 280 THR CB . 27285 1 688 . 1 1 281 281 THR N N 15 121.643 0.3 . 1 . . . . . 280 THR N . 27285 1 stop_ save_