data_30021 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30021 _Entry.Title ; Solution structure of the pore-forming region of C. elegans Mitochondrial Calcium Uniporter (MCU) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-23 _Entry.Accession_date 2016-02-23 _Entry.Last_release_date 2016-05-23 _Entry.Original_release_date 2016-05-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Oxenoid K. . . . 30021 2 Y. Dong Y. . . . 30021 3 C. Cao C. . . . 30021 4 T. Cui T. . . . 30021 5 Y. Sancak Y. . . . 30021 6 A. Markhard A. L. . . 30021 7 Z. Grabarek Z. . . . 30021 8 L. Kong L. . . . 30021 9 Z. Liu Z. . . . 30021 10 B. Ouyang B. . . . 30021 11 Y. Cong Y. . . . 30021 12 V. Mootha V. K. . . 30021 13 J. Chou J. J. . . 30021 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 PSI:Biology 'Membrane Protein Structures by Solution NMR' MPSbyNMR 30021 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MPSbyNMR . 30021 'Membrane Protein Structures by Solution NMR' . 30021 'N-terminal domain truncation' . 30021 PSI-Biology . 30021 'Structural Genomics' . 30021 'TRANSPORT PROTEIN' . 30021 'calcium channel' . 30021 mitochondria . 30021 pentamer . 30021 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30021 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 30021 '15N chemical shifts' 136 30021 '1H chemical shifts' 136 30021 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-05-23 . original BMRB . 30021 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5ID3 'BMRB Entry Tracking System' 30021 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30021 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/nature17656 _Citation.PubMed_ID 27135929 _Citation.Full_citation . _Citation.Title ; Architecture of the Mitochondrial Calcium Uniporter ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 533 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 269 _Citation.Page_last 273 _Citation.Year 2016 _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 K. Oxenoid K. . . . 30021 1 2 Y. Dong Y. . . . 30021 1 3 C. Cao C. . . . 30021 1 4 T. Cui T. . . . 30021 1 5 Y. Sancak Y. . . . 30021 1 6 A. Markhard A. L. . . 30021 1 7 Z. Grabarek Z. . . . 30021 1 8 L. Kong L. . . . 30021 1 9 Z. Liu Z. . . . 30021 1 10 B. Ouyang B. . . . 30021 1 11 Y. Cong Y. . . . 30021 1 12 V. Mootha V. K. . . 30021 1 13 J. Chou J. J. . . 30021 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30021 _Assembly.ID 1 _Assembly.Name 'Mitochondrial Calcium Uniporter' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity 1' 1 $entity_1 A A yes . . . . . . 30021 1 2 'entity 2' 1 $entity_1 B B yes . . . . . . 30021 1 3 'entity 3' 1 $entity_1 C C yes . . . . . . 30021 1 4 'entity 4' 1 $entity_1 D D yes . . . . . . 30021 1 5 'entity 5' 1 $entity_1 E E yes . . . . . . 30021 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30021 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Mitochondrial Calcium Uniporter' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D,E _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAALSVDEYKLSREKKLLLQ LENAETLLAPLHDAKRKIEQ EAEAHTDRVAWAGFAASGVQ TGLFARLTWWEYSWDIVEPV TYFATYSTVAATFGYYLYTQ QSFEYPSARERVYTKQFYRR AQKQNFDIEKYNRLVTEVDE LRNQLKRLRDPLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 167-318' _Entity.Mutation M242V _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18927.207 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Start Residues Number: 166 C-terminal 6His Tag ; _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 1 166 MET . 30021 1 2 167 ALA . 30021 1 3 168 ALA . 30021 1 4 169 LEU . 30021 1 5 170 SER . 30021 1 6 171 VAL . 30021 1 7 172 ASP . 30021 1 8 173 GLU . 30021 1 9 174 TYR . 30021 1 10 175 LYS . 30021 1 11 176 LEU . 30021 1 12 177 SER . 30021 1 13 178 ARG . 30021 1 14 179 GLU . 30021 1 15 180 LYS . 30021 1 16 181 LYS . 30021 1 17 182 LEU . 30021 1 18 183 LEU . 30021 1 19 184 LEU . 30021 1 20 185 GLN . 30021 1 21 186 LEU . 30021 1 22 187 GLU . 30021 1 23 188 ASN . 30021 1 24 189 ALA . 30021 1 25 190 GLU . 30021 1 26 191 THR . 30021 1 27 192 LEU . 30021 1 28 193 LEU . 30021 1 29 194 ALA . 30021 1 30 195 PRO . 30021 1 31 196 LEU . 30021 1 32 197 HIS . 30021 1 33 198 ASP . 30021 1 34 199 ALA . 30021 1 35 200 LYS . 30021 1 36 201 ARG . 30021 1 37 202 LYS . 30021 1 38 203 ILE . 30021 1 39 204 GLU . 30021 1 40 205 GLN . 30021 1 41 206 GLU . 30021 1 42 207 ALA . 30021 1 43 208 GLU . 30021 1 44 209 ALA . 30021 1 45 210 HIS . 30021 1 46 211 THR . 30021 1 47 212 ASP . 30021 1 48 213 ARG . 30021 1 49 214 VAL . 30021 1 50 215 ALA . 30021 1 51 216 TRP . 30021 1 52 217 ALA . 30021 1 53 218 GLY . 30021 1 54 219 PHE . 30021 1 55 220 ALA . 30021 1 56 221 ALA . 30021 1 57 222 SER . 30021 1 58 223 GLY . 30021 1 59 224 VAL . 30021 1 60 225 GLN . 30021 1 61 226 THR . 30021 1 62 227 GLY . 30021 1 63 228 LEU . 30021 1 64 229 PHE . 30021 1 65 230 ALA . 30021 1 66 231 ARG . 30021 1 67 232 LEU . 30021 1 68 233 THR . 30021 1 69 234 TRP . 30021 1 70 235 TRP . 30021 1 71 236 GLU . 30021 1 72 237 TYR . 30021 1 73 238 SER . 30021 1 74 239 TRP . 30021 1 75 240 ASP . 30021 1 76 241 ILE . 30021 1 77 242 VAL . 30021 1 78 243 GLU . 30021 1 79 244 PRO . 30021 1 80 245 VAL . 30021 1 81 246 THR . 30021 1 82 247 TYR . 30021 1 83 248 PHE . 30021 1 84 249 ALA . 30021 1 85 250 THR . 30021 1 86 251 TYR . 30021 1 87 252 SER . 30021 1 88 253 THR . 30021 1 89 254 VAL . 30021 1 90 255 ALA . 30021 1 91 256 ALA . 30021 1 92 257 THR . 30021 1 93 258 PHE . 30021 1 94 259 GLY . 30021 1 95 260 TYR . 30021 1 96 261 TYR . 30021 1 97 262 LEU . 30021 1 98 263 TYR . 30021 1 99 264 THR . 30021 1 100 265 GLN . 30021 1 101 266 GLN . 30021 1 102 267 SER . 30021 1 103 268 PHE . 30021 1 104 269 GLU . 30021 1 105 270 TYR . 30021 1 106 271 PRO . 30021 1 107 272 SER . 30021 1 108 273 ALA . 30021 1 109 274 ARG . 30021 1 110 275 GLU . 30021 1 111 276 ARG . 30021 1 112 277 VAL . 30021 1 113 278 TYR . 30021 1 114 279 THR . 30021 1 115 280 LYS . 30021 1 116 281 GLN . 30021 1 117 282 PHE . 30021 1 118 283 TYR . 30021 1 119 284 ARG . 30021 1 120 285 ARG . 30021 1 121 286 ALA . 30021 1 122 287 GLN . 30021 1 123 288 LYS . 30021 1 124 289 GLN . 30021 1 125 290 ASN . 30021 1 126 291 PHE . 30021 1 127 292 ASP . 30021 1 128 293 ILE . 30021 1 129 294 GLU . 30021 1 130 295 LYS . 30021 1 131 296 TYR . 30021 1 132 297 ASN . 30021 1 133 298 ARG . 30021 1 134 299 LEU . 30021 1 135 300 VAL . 30021 1 136 301 THR . 30021 1 137 302 GLU . 30021 1 138 303 VAL . 30021 1 139 304 ASP . 30021 1 140 305 GLU . 30021 1 141 306 LEU . 30021 1 142 307 ARG . 30021 1 143 308 ASN . 30021 1 144 309 GLN . 30021 1 145 310 LEU . 30021 1 146 311 LYS . 30021 1 147 312 ARG . 30021 1 148 313 LEU . 30021 1 149 314 ARG . 30021 1 150 315 ASP . 30021 1 151 316 PRO . 30021 1 152 317 LEU . 30021 1 153 318 GLU . 30021 1 154 . HIS . 30021 1 155 . HIS . 30021 1 156 . HIS . 30021 1 157 . HIS . 30021 1 158 . HIS . 30021 1 159 . HIS . 30021 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 30021 1 . ALA 2 2 30021 1 . ALA 3 3 30021 1 . LEU 4 4 30021 1 . SER 5 5 30021 1 . VAL 6 6 30021 1 . ASP 7 7 30021 1 . GLU 8 8 30021 1 . TYR 9 9 30021 1 . LYS 10 10 30021 1 . LEU 11 11 30021 1 . SER 12 12 30021 1 . ARG 13 13 30021 1 . GLU 14 14 30021 1 . LYS 15 15 30021 1 . LYS 16 16 30021 1 . LEU 17 17 30021 1 . LEU 18 18 30021 1 . LEU 19 19 30021 1 . GLN 20 20 30021 1 . LEU 21 21 30021 1 . GLU 22 22 30021 1 . ASN 23 23 30021 1 . ALA 24 24 30021 1 . GLU 25 25 30021 1 . THR 26 26 30021 1 . LEU 27 27 30021 1 . LEU 28 28 30021 1 . ALA 29 29 30021 1 . PRO 30 30 30021 1 . LEU 31 31 30021 1 . HIS 32 32 30021 1 . ASP 33 33 30021 1 . ALA 34 34 30021 1 . LYS 35 35 30021 1 . ARG 36 36 30021 1 . LYS 37 37 30021 1 . ILE 38 38 30021 1 . GLU 39 39 30021 1 . GLN 40 40 30021 1 . GLU 41 41 30021 1 . ALA 42 42 30021 1 . GLU 43 43 30021 1 . ALA 44 44 30021 1 . HIS 45 45 30021 1 . THR 46 46 30021 1 . ASP 47 47 30021 1 . ARG 48 48 30021 1 . VAL 49 49 30021 1 . ALA 50 50 30021 1 . TRP 51 51 30021 1 . ALA 52 52 30021 1 . GLY 53 53 30021 1 . PHE 54 54 30021 1 . ALA 55 55 30021 1 . ALA 56 56 30021 1 . SER 57 57 30021 1 . GLY 58 58 30021 1 . VAL 59 59 30021 1 . GLN 60 60 30021 1 . THR 61 61 30021 1 . GLY 62 62 30021 1 . LEU 63 63 30021 1 . PHE 64 64 30021 1 . ALA 65 65 30021 1 . ARG 66 66 30021 1 . LEU 67 67 30021 1 . THR 68 68 30021 1 . TRP 69 69 30021 1 . TRP 70 70 30021 1 . GLU 71 71 30021 1 . TYR 72 72 30021 1 . SER 73 73 30021 1 . TRP 74 74 30021 1 . ASP 75 75 30021 1 . ILE 76 76 30021 1 . VAL 77 77 30021 1 . GLU 78 78 30021 1 . PRO 79 79 30021 1 . VAL 80 80 30021 1 . THR 81 81 30021 1 . TYR 82 82 30021 1 . PHE 83 83 30021 1 . ALA 84 84 30021 1 . THR 85 85 30021 1 . TYR 86 86 30021 1 . SER 87 87 30021 1 . THR 88 88 30021 1 . VAL 89 89 30021 1 . ALA 90 90 30021 1 . ALA 91 91 30021 1 . THR 92 92 30021 1 . PHE 93 93 30021 1 . GLY 94 94 30021 1 . TYR 95 95 30021 1 . TYR 96 96 30021 1 . LEU 97 97 30021 1 . TYR 98 98 30021 1 . THR 99 99 30021 1 . GLN 100 100 30021 1 . GLN 101 101 30021 1 . SER 102 102 30021 1 . PHE 103 103 30021 1 . GLU 104 104 30021 1 . TYR 105 105 30021 1 . PRO 106 106 30021 1 . SER 107 107 30021 1 . ALA 108 108 30021 1 . ARG 109 109 30021 1 . GLU 110 110 30021 1 . ARG 111 111 30021 1 . VAL 112 112 30021 1 . TYR 113 113 30021 1 . THR 114 114 30021 1 . LYS 115 115 30021 1 . GLN 116 116 30021 1 . PHE 117 117 30021 1 . TYR 118 118 30021 1 . ARG 119 119 30021 1 . ARG 120 120 30021 1 . ALA 121 121 30021 1 . GLN 122 122 30021 1 . LYS 123 123 30021 1 . GLN 124 124 30021 1 . ASN 125 125 30021 1 . PHE 126 126 30021 1 . ASP 127 127 30021 1 . ILE 128 128 30021 1 . GLU 129 129 30021 1 . LYS 130 130 30021 1 . TYR 131 131 30021 1 . ASN 132 132 30021 1 . ARG 133 133 30021 1 . LEU 134 134 30021 1 . VAL 135 135 30021 1 . THR 136 136 30021 1 . GLU 137 137 30021 1 . VAL 138 138 30021 1 . ASP 139 139 30021 1 . GLU 140 140 30021 1 . LEU 141 141 30021 1 . ARG 142 142 30021 1 . ASN 143 143 30021 1 . GLN 144 144 30021 1 . LEU 145 145 30021 1 . LYS 146 146 30021 1 . ARG 147 147 30021 1 . LEU 148 148 30021 1 . ARG 149 149 30021 1 . ASP 150 150 30021 1 . PRO 151 151 30021 1 . LEU 152 152 30021 1 . GLU 153 153 30021 1 . HIS 154 154 30021 1 . HIS 155 155 30021 1 . HIS 156 156 30021 1 . HIS 157 157 30021 1 . HIS 158 158 30021 1 . HIS 159 159 30021 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30021 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 6239 . . 'Caenorhabditis elegans' nematodes . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . 'mcu-1, CELE_K02B2.3, K02B2.3' . 30021 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 30021 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . pET21a . . . . . . 30021 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30021 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.8 mM [100% 13C; 100% 15N; 85% 2H] MCU-dNTD, 27 mM Foscholine-14, 20 mM MES, 75 mM NaCl, 2 mM EDTA, 0.3 mM NaN3, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 EDTA 'natural abundance' . . . . . . 2 . . mM 1 . . . 30021 1 2 Foscholine-14 'natural abundance' . . . . . . 27 . . mM 5 . . . 30021 1 3 MCU-dNTD '[100% 13C; 100% 15N; 85% 2H]' . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 30021 1 4 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 30021 1 5 NaCl 'natural abundance' . . . . . . 75 . . mM 1 . . . 30021 1 6 NaN3 'natural abundance' . . . . . . 0.3 . . mM 0.5 . . . 30021 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30021 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30021 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30021 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.8 mM [100% 13C; 100% 15N] MCU-dNTD, 27 mM [100% 2H at acyl chain] Foscholine-14, 20 mM MES, 75 mM NaCl, 2 mM EDTA, 0.3 mM NaN3, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 EDTA 'natural abundance' . . . . . . 2 . . mM 1 . . . 30021 2 2 Foscholine-14 '[100% 2H at acyl chain]' . . . . . . 27 . . mM 5 . . . 30021 2 3 MCU-dNTD '[100% 13C; 100% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 30021 2 4 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 30021 2 5 NaCl 'natural abundance' . . . . . . 75 . . mM 1 . . . 30021 2 6 NaN3 'natural abundance' . . . . . . 0.3 . . mM 0.5 . . . 30021 2 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30021 2 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30021 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30021 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.4 mM [100% 15N; 100% 2H] MCU-dNTD, 0.4 mM [15% 13C] MCU-dNTD, 27 mM [100% 2H at acyl chain] Foscholine-14, 20 mM MES, 75 mM NaCl, 2 mM EDTA, 0.3 mM NaN3, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 EDTA 'natural abundance' . . . . . . 2 . . mM 1 . . . 30021 3 2 Foscholine-14 '[100% 2H at acyl chain]' . . . . . . 27 . . mM 5 . . . 30021 3 3 MCU-dNTD-1 '[100% 15N; 100% 2H]' . . 1 $entity_1 . . 0.4 . . mM 0.05 . . . 30021 3 4 MCU-dNTD-2 '[15% 13C]' . . 1 $entity_1 . . 0.4 . . mM 0.05 . . . 30021 3 5 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 30021 3 6 NaCl 'natural abundance' . . . . . . 75 . . mM 1 . . . 30021 3 7 NaN3 'natural abundance' . . . . . . 0.3 . . mM 0.5 . . . 30021 3 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30021 3 9 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30021 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30021 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 10 mM 30021 1 pH 6.5 0.1 pH 30021 1 pressure 1 0.01 atm 30021 1 temperature 306 0.2 K 30021 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30021 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 10 mM 30021 2 pH 6.5 0.1 pH 30021 2 pressure 1 0.01 atm 30021 2 temperature 306 0.2 K 30021 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30021 _Software.ID 1 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30021 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30021 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30021 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30021 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30021 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30021 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30021 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30021 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30021 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30021 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30021 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30021 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30021 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30021 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30021 _Software.ID 6 _Software.Name XPLOR-NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters et al' . . 30021 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30021 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30021 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30021 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30021 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 600 . . . 30021 1 2 NMR_spectrometer_2 Bruker AvanceIII . 900 . . . 30021 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 30021 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 2 '3D tr-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30021 1 3 '3D tr-HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30021 1 4 '3D tr-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30021 1 5 '3D tr-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30021 1 6 '3D tr-HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30021 1 7 '3D 15N-15N HSQC-NOESY-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30021 1 8 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 9 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 10 '3D 1H-13C Methyl NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 11 '3D 1H-13C Methyl NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 12 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 13 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 15 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30021 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30021 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30021 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30021 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30021 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30021 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D tr-HNCA' . . . 30021 1 3 '3D tr-HN(CO)CA' . . . 30021 1 4 '3D tr-HN(CA)CO' . . . 30021 1 5 '3D tr-HNCO' . . . 30021 1 6 '3D tr-HN(CA)CB' . . . 30021 1 7 '3D 15N-15N HSQC-NOESY-TROSY' . . . 30021 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 2 $software_2 . . 30021 1 5 $software_5 . . 30021 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.15 0.002 . 1 . . . A 167 ALA H . 30021 1 2 . 1 1 2 2 ALA C C 13 178.21 0.001 . 1 . . . A 167 ALA C . 30021 1 3 . 1 1 2 2 ALA CA C 13 52.49 0.002 . 1 . . . A 167 ALA CA . 30021 1 4 . 1 1 2 2 ALA CB C 13 21.75 0.005 . 1 . . . A 167 ALA CB . 30021 1 5 . 1 1 2 2 ALA N N 15 106.83 0.010 . 1 . . . A 167 ALA N . 30021 1 6 . 1 1 3 3 ALA H H 1 8.23 0.002 . 1 . . . A 168 ALA H . 30021 1 7 . 1 1 3 3 ALA C C 13 177.93 0.001 . 1 . . . A 168 ALA C . 30021 1 8 . 1 1 3 3 ALA CA C 13 52.31 0.002 . 1 . . . A 168 ALA CA . 30021 1 9 . 1 1 3 3 ALA CB C 13 21.59 0.005 . 1 . . . A 168 ALA CB . 30021 1 10 . 1 1 3 3 ALA N N 15 123.25 0.010 . 1 . . . A 168 ALA N . 30021 1 11 . 1 1 4 4 LEU H H 1 8.05 0.002 . 1 . . . A 169 LEU H . 30021 1 12 . 1 1 4 4 LEU C C 13 177.43 0.001 . 1 . . . A 169 LEU C . 30021 1 13 . 1 1 4 4 LEU CA C 13 55.00 0.002 . 1 . . . A 169 LEU CA . 30021 1 14 . 1 1 4 4 LEU CB C 13 44.65 0.005 . 1 . . . A 169 LEU CB . 30021 1 15 . 1 1 4 4 LEU N N 15 121.60 0.010 . 1 . . . A 169 LEU N . 30021 1 16 . 1 1 5 5 SER H H 1 8.25 0.002 . 1 . . . A 170 SER H . 30021 1 17 . 1 1 5 5 SER C C 13 175.13 0.001 . 1 . . . A 170 SER C . 30021 1 18 . 1 1 5 5 SER CA C 13 57.90 0.002 . 1 . . . A 170 SER CA . 30021 1 19 . 1 1 5 5 SER CB C 13 67.02 0.005 . 1 . . . A 170 SER CB . 30021 1 20 . 1 1 5 5 SER N N 15 117.65 0.010 . 1 . . . A 170 SER N . 30021 1 21 . 1 1 6 6 VAL H H 1 8.16 0.002 . 1 . . . A 171 VAL H . 30021 1 22 . 1 1 6 6 VAL C C 13 176.44 0.001 . 1 . . . A 171 VAL C . 30021 1 23 . 1 1 6 6 VAL CA C 13 62.93 0.002 . 1 . . . A 171 VAL CA . 30021 1 24 . 1 1 6 6 VAL CB C 13 34.25 0.005 . 1 . . . A 171 VAL CB . 30021 1 25 . 1 1 6 6 VAL N N 15 122.70 0.010 . 1 . . . A 171 VAL N . 30021 1 26 . 1 1 7 7 ASP H H 1 8.16 0.002 . 1 . . . A 172 ASP H . 30021 1 27 . 1 1 7 7 ASP C C 13 177.06 0.001 . 1 . . . A 172 ASP C . 30021 1 28 . 1 1 7 7 ASP CA C 13 55.00 0.002 . 1 . . . A 172 ASP CA . 30021 1 29 . 1 1 7 7 ASP CB C 13 43.95 0.005 . 1 . . . A 172 ASP CB . 30021 1 30 . 1 1 7 7 ASP N N 15 122.70 0.010 . 1 . . . A 172 ASP N . 30021 1 31 . 1 1 8 8 GLU H H 1 8.11 0.002 . 1 . . . A 173 GLU H . 30021 1 32 . 1 1 8 8 GLU C C 13 177.29 0.001 . 1 . . . A 173 GLU C . 30021 1 33 . 1 1 8 8 GLU CA C 13 57.49 0.002 . 1 . . . A 173 GLU CA . 30021 1 34 . 1 1 8 8 GLU CB C 13 31.99 0.005 . 1 . . . A 173 GLU CB . 30021 1 35 . 1 1 8 8 GLU N N 15 121.32 0.010 . 1 . . . A 173 GLU N . 30021 1 36 . 1 1 9 9 TYR H H 1 8.07 0.002 . 1 . . . A 174 TYR H . 30021 1 37 . 1 1 9 9 TYR C C 13 176.41 0.001 . 1 . . . A 174 TYR C . 30021 1 38 . 1 1 9 9 TYR CA C 13 58.83 0.002 . 1 . . . A 174 TYR CA . 30021 1 39 . 1 1 9 9 TYR CB C 13 40.35 0.005 . 1 . . . A 174 TYR CB . 30021 1 40 . 1 1 9 9 TYR N N 15 120.77 0.010 . 1 . . . A 174 TYR N . 30021 1 41 . 1 1 10 10 LYS H H 1 7.89 0.002 . 1 . . . A 175 LYS H . 30021 1 42 . 1 1 10 10 LYS C C 13 177.04 0.001 . 1 . . . A 175 LYS C . 30021 1 43 . 1 1 10 10 LYS CA C 13 57.07 0.002 . 1 . . . A 175 LYS CA . 30021 1 44 . 1 1 10 10 LYS CB C 13 34.26 0.005 . 1 . . . A 175 LYS CB . 30021 1 45 . 1 1 10 10 LYS N N 15 121.87 0.010 . 1 . . . A 175 LYS N . 30021 1 46 . 1 1 11 11 LEU H H 1 7.96 0.002 . 1 . . . A 176 LEU H . 30021 1 47 . 1 1 11 11 LEU C C 13 177.74 0.001 . 1 . . . A 176 LEU C . 30021 1 48 . 1 1 11 11 LEU CA C 13 55.42 0.002 . 1 . . . A 176 LEU CA . 30021 1 49 . 1 1 11 11 LEU CB C 13 44.82 0.005 . 1 . . . A 176 LEU CB . 30021 1 50 . 1 1 11 11 LEU N N 15 121.69 0.010 . 1 . . . A 176 LEU N . 30021 1 51 . 1 1 12 12 SER H H 1 8.04 0.002 . 1 . . . A 177 SER H . 30021 1 52 . 1 1 12 12 SER C C 13 175.67 0.001 . 1 . . . A 177 SER C . 30021 1 53 . 1 1 12 12 SER CA C 13 58.96 0.002 . 1 . . . A 177 SER CA . 30021 1 54 . 1 1 12 12 SER CB C 13 67.02 0.005 . 1 . . . A 177 SER CB . 30021 1 55 . 1 1 12 12 SER N N 15 116.83 0.010 . 1 . . . A 177 SER N . 30021 1 56 . 1 1 13 13 ARG H H 1 8.45 0.002 . 1 . . . A 178 ARG H . 30021 1 57 . 1 1 13 13 ARG C C 13 177.92 0.001 . 1 . . . A 178 ARG C . 30021 1 58 . 1 1 13 13 ARG CA C 13 58.41 0.002 . 1 . . . A 178 ARG CA . 30021 1 59 . 1 1 13 13 ARG CB C 13 32.10 0.005 . 1 . . . A 178 ARG CB . 30021 1 60 . 1 1 13 13 ARG N N 15 122.70 0.010 . 1 . . . A 178 ARG N . 30021 1 61 . 1 1 14 14 GLU H H 1 8.66 0.002 . 1 . . . A 179 GLU H . 30021 1 62 . 1 1 14 14 GLU C C 13 177.96 0.001 . 1 . . . A 179 GLU C . 30021 1 63 . 1 1 14 14 GLU CA C 13 58.99 0.002 . 1 . . . A 179 GLU CA . 30021 1 64 . 1 1 14 14 GLU CB C 13 31.45 0.005 . 1 . . . A 179 GLU CB . 30021 1 65 . 1 1 14 14 GLU N N 15 119.76 0.010 . 1 . . . A 179 GLU N . 30021 1 66 . 1 1 15 15 LYS H H 1 7.90 0.002 . 1 . . . A 180 LYS H . 30021 1 67 . 1 1 15 15 LYS C C 13 178.29 0.001 . 1 . . . A 180 LYS C . 30021 1 68 . 1 1 15 15 LYS CA C 13 58.31 0.002 . 1 . . . A 180 LYS CA . 30021 1 69 . 1 1 15 15 LYS CB C 13 33.77 0.005 . 1 . . . A 180 LYS CB . 30021 1 70 . 1 1 15 15 LYS N N 15 120.40 0.010 . 1 . . . A 180 LYS N . 30021 1 71 . 1 1 16 16 LYS H H 1 8.05 0.002 . 1 . . . A 181 LYS H . 30021 1 72 . 1 1 16 16 LYS C C 13 178.67 0.001 . 1 . . . A 181 LYS C . 30021 1 73 . 1 1 16 16 LYS CA C 13 58.63 0.002 . 1 . . . A 181 LYS CA . 30021 1 74 . 1 1 16 16 LYS CB C 13 34.01 0.005 . 1 . . . A 181 LYS CB . 30021 1 75 . 1 1 16 16 LYS N N 15 120.13 0.010 . 1 . . . A 181 LYS N . 30021 1 76 . 1 1 17 17 LEU H H 1 7.95 0.002 . 1 . . . A 182 LEU H . 30021 1 77 . 1 1 17 17 LEU C C 13 178.74 0.001 . 1 . . . A 182 LEU C . 30021 1 78 . 1 1 17 17 LEU CA C 13 57.18 0.002 . 1 . . . A 182 LEU CA . 30021 1 79 . 1 1 17 17 LEU CB C 13 44.16 0.005 . 1 . . . A 182 LEU CB . 30021 1 80 . 1 1 17 17 LEU N N 15 120.96 0.010 . 1 . . . A 182 LEU N . 30021 1 81 . 1 1 18 18 LEU H H 1 7.96 0.002 . 1 . . . A 183 LEU H . 30021 1 82 . 1 1 18 18 LEU C C 13 178.85 0.001 . 1 . . . A 183 LEU C . 30021 1 83 . 1 1 18 18 LEU CA C 13 57.33 0.002 . 1 . . . A 183 LEU CA . 30021 1 84 . 1 1 18 18 LEU CB C 13 44.08 0.005 . 1 . . . A 183 LEU CB . 30021 1 85 . 1 1 18 18 LEU N N 15 119.58 0.010 . 1 . . . A 183 LEU N . 30021 1 86 . 1 1 19 19 LEU H H 1 7.79 0.002 . 1 . . . A 184 LEU H . 30021 1 87 . 1 1 19 19 LEU C C 13 178.68 0.001 . 1 . . . A 184 LEU C . 30021 1 88 . 1 1 19 19 LEU CA C 13 56.50 0.002 . 1 . . . A 184 LEU CA . 30021 1 89 . 1 1 19 19 LEU CB C 13 43.74 0.005 . 1 . . . A 184 LEU CB . 30021 1 90 . 1 1 19 19 LEU N N 15 119.12 0.010 . 1 . . . A 184 LEU N . 30021 1 91 . 1 1 20 20 GLN H H 1 7.78 0.002 . 1 . . . A 185 GLN H . 30021 1 92 . 1 1 20 20 GLN C C 13 177.74 0.001 . 1 . . . A 185 GLN C . 30021 1 93 . 1 1 20 20 GLN CA C 13 56.97 0.002 . 1 . . . A 185 GLN CA . 30021 1 94 . 1 1 20 20 GLN CB C 13 31.13 0.005 . 1 . . . A 185 GLN CB . 30021 1 95 . 1 1 20 20 GLN N N 15 118.57 0.010 . 1 . . . A 185 GLN N . 30021 1 96 . 1 1 21 21 LEU H H 1 8.02 0.002 . 1 . . . A 186 LEU H . 30021 1 97 . 1 1 21 21 LEU C C 13 178.09 0.001 . 1 . . . A 186 LEU C . 30021 1 98 . 1 1 21 21 LEU CA C 13 56.66 0.002 . 1 . . . A 186 LEU CA . 30021 1 99 . 1 1 21 21 LEU CB C 13 43.95 0.005 . 1 . . . A 186 LEU CB . 30021 1 100 . 1 1 21 21 LEU N N 15 121.05 0.010 . 1 . . . A 186 LEU N . 30021 1 101 . 1 1 22 22 GLU H H 1 8.21 0.002 . 1 . . . A 187 GLU H . 30021 1 102 . 1 1 22 22 GLU C C 13 177.67 0.001 . 1 . . . A 187 GLU C . 30021 1 103 . 1 1 22 22 GLU CA C 13 58.49 0.002 . 1 . . . A 187 GLU CA . 30021 1 104 . 1 1 22 22 GLU CB C 13 31.68 0.005 . 1 . . . A 187 GLU CB . 30021 1 105 . 1 1 22 22 GLU N N 15 119.40 0.010 . 1 . . . A 187 GLU N . 30021 1 106 . 1 1 23 23 ASN H H 1 7.99 0.002 . 1 . . . A 188 ASN H . 30021 1 107 . 1 1 23 23 ASN C C 13 176.38 0.001 . 1 . . . A 188 ASN C . 30021 1 108 . 1 1 23 23 ASN CA C 13 53.85 0.002 . 1 . . . A 188 ASN CA . 30021 1 109 . 1 1 23 23 ASN CB C 13 41.37 0.005 . 1 . . . A 188 ASN CB . 30021 1 110 . 1 1 23 23 ASN N N 15 116.92 0.010 . 1 . . . A 188 ASN N . 30021 1 111 . 1 1 24 24 ALA H H 1 8.12 0.002 . 1 . . . A 189 ALA H . 30021 1 112 . 1 1 24 24 ALA C C 13 178.51 0.001 . 1 . . . A 189 ALA C . 30021 1 113 . 1 1 24 24 ALA CA C 13 54.38 0.002 . 1 . . . A 189 ALA CA . 30021 1 114 . 1 1 24 24 ALA CB C 13 20.89 0.005 . 1 . . . A 189 ALA CB . 30021 1 115 . 1 1 24 24 ALA N N 15 123.80 0.010 . 1 . . . A 189 ALA N . 30021 1 116 . 1 1 25 25 GLU H H 1 8.46 0.002 . 1 . . . A 190 GLU H . 30021 1 117 . 1 1 25 25 GLU C C 13 178.63 0.001 . 1 . . . A 190 GLU C . 30021 1 118 . 1 1 25 25 GLU CA C 13 59.35 0.002 . 1 . . . A 190 GLU CA . 30021 1 119 . 1 1 25 25 GLU CB C 13 31.45 0.005 . 1 . . . A 190 GLU CB . 30021 1 120 . 1 1 25 25 GLU N N 15 118.20 0.010 . 1 . . . A 190 GLU N . 30021 1 121 . 1 1 26 26 THR H H 1 7.81 0.002 . 1 . . . A 191 THR H . 30021 1 122 . 1 1 26 26 THR C C 13 176.01 0.001 . 1 . . . A 191 THR C . 30021 1 123 . 1 1 26 26 THR CA C 13 64.52 0.002 . 1 . . . A 191 THR CA . 30021 1 124 . 1 1 26 26 THR CB C 13 71.98 0.005 . 1 . . . A 191 THR CB . 30021 1 125 . 1 1 26 26 THR N N 15 113.25 0.010 . 1 . . . A 191 THR N . 30021 1 126 . 1 1 27 27 LEU H H 1 7.68 0.002 . 1 . . . A 192 LEU H . 30021 1 127 . 1 1 27 27 LEU C C 13 177.08 0.001 . 1 . . . A 192 LEU C . 30021 1 128 . 1 1 27 27 LEU CA C 13 56.43 0.002 . 1 . . . A 192 LEU CA . 30021 1 129 . 1 1 27 27 LEU CB C 13 44.82 0.005 . 1 . . . A 192 LEU CB . 30021 1 130 . 1 1 27 27 LEU N N 15 121.23 0.010 . 1 . . . A 192 LEU N . 30021 1 131 . 1 1 28 28 LEU H H 1 7.62 0.002 . 1 . . . A 193 LEU H . 30021 1 132 . 1 1 28 28 LEU C C 13 178.29 0.001 . 1 . . . A 193 LEU C . 30021 1 133 . 1 1 28 28 LEU CA C 13 55.84 0.002 . 1 . . . A 193 LEU CA . 30021 1 134 . 1 1 28 28 LEU CB C 13 44.26 0.005 . 1 . . . A 193 LEU CB . 30021 1 135 . 1 1 28 28 LEU N N 15 114.81 0.010 . 1 . . . A 193 LEU N . 30021 1 136 . 1 1 29 29 ALA H H 1 7.77 0.002 . 1 . . . A 194 ALA H . 30021 1 137 . 1 1 29 29 ALA CA C 13 56.14 0.002 . 1 . . . A 194 ALA CA . 30021 1 138 . 1 1 29 29 ALA N N 15 123.16 0.010 . 1 . . . A 194 ALA N . 30021 1 139 . 1 1 30 30 PRO C C 13 179.02 0.001 . 1 . . . A 195 PRO C . 30021 1 140 . 1 1 30 30 PRO CA C 13 65.27 0.002 . 1 . . . A 195 PRO CA . 30021 1 141 . 1 1 31 31 LEU H H 1 7.55 0.002 . 1 . . . A 196 LEU H . 30021 1 142 . 1 1 31 31 LEU C C 13 178.32 0.001 . 1 . . . A 196 LEU C . 30021 1 143 . 1 1 31 31 LEU CA C 13 57.36 0.002 . 1 . . . A 196 LEU CA . 30021 1 144 . 1 1 31 31 LEU N N 15 117.47 0.010 . 1 . . . A 196 LEU N . 30021 1 145 . 1 1 32 32 HIS H H 1 8.10 0.002 . 1 . . . A 197 HIS H . 30021 1 146 . 1 1 32 32 HIS C C 13 177.76 0.001 . 1 . . . A 197 HIS C . 30021 1 147 . 1 1 32 32 HIS CA C 13 58.94 0.002 . 1 . . . A 197 HIS CA . 30021 1 148 . 1 1 32 32 HIS N N 15 119.12 0.010 . 1 . . . A 197 HIS N . 30021 1 149 . 1 1 33 33 ASP H H 1 8.26 0.002 . 1 . . . A 198 ASP H . 30021 1 150 . 1 1 33 33 ASP C C 13 178.40 0.001 . 1 . . . A 198 ASP C . 30021 1 151 . 1 1 33 33 ASP CA C 13 56.97 0.002 . 1 . . . A 198 ASP CA . 30021 1 152 . 1 1 33 33 ASP CB C 13 42.23 0.005 . 1 . . . A 198 ASP CB . 30021 1 153 . 1 1 33 33 ASP N N 15 120.68 0.010 . 1 . . . A 198 ASP N . 30021 1 154 . 1 1 34 34 ALA H H 1 8.06 0.002 . 1 . . . A 199 ALA H . 30021 1 155 . 1 1 34 34 ALA C C 13 178.82 0.001 . 1 . . . A 199 ALA C . 30021 1 156 . 1 1 34 34 ALA CA C 13 55.00 0.002 . 1 . . . A 199 ALA CA . 30021 1 157 . 1 1 34 34 ALA CB C 13 20.89 0.005 . 1 . . . A 199 ALA CB . 30021 1 158 . 1 1 34 34 ALA N N 15 123.34 0.010 . 1 . . . A 199 ALA N . 30021 1 159 . 1 1 35 35 LYS H H 1 8.10 0.002 . 1 . . . A 200 LYS H . 30021 1 160 . 1 1 35 35 LYS C C 13 177.80 0.001 . 1 . . . A 200 LYS C . 30021 1 161 . 1 1 35 35 LYS CA C 13 59.66 0.002 . 1 . . . A 200 LYS CA . 30021 1 162 . 1 1 35 35 LYS N N 15 118.66 0.010 . 1 . . . A 200 LYS N . 30021 1 163 . 1 1 36 36 ARG H H 1 7.82 0.002 . 1 . . . A 201 ARG H . 30021 1 164 . 1 1 36 36 ARG C C 13 177.37 0.001 . 1 . . . A 201 ARG C . 30021 1 165 . 1 1 36 36 ARG CA C 13 58.30 0.002 . 1 . . . A 201 ARG CA . 30021 1 166 . 1 1 36 36 ARG CB C 13 31.44 0.005 . 1 . . . A 201 ARG CB . 30021 1 167 . 1 1 36 36 ARG N N 15 118.66 0.010 . 1 . . . A 201 ARG N . 30021 1 168 . 1 1 37 37 LYS H H 1 7.99 0.002 . 1 . . . A 202 LYS H . 30021 1 169 . 1 1 37 37 LYS C C 13 175.26 0.001 . 1 . . . A 202 LYS C . 30021 1 170 . 1 1 37 37 LYS CA C 13 58.07 0.002 . 1 . . . A 202 LYS CA . 30021 1 171 . 1 1 37 37 LYS N N 15 118.57 0.010 . 1 . . . A 202 LYS N . 30021 1 172 . 1 1 38 38 ILE H H 1 7.64 0.002 . 1 . . . A 203 ILE H . 30021 1 173 . 1 1 38 38 ILE N N 15 115.27 0.010 . 1 . . . A 203 ILE N . 30021 1 174 . 1 1 41 41 GLU C C 13 178.51 0.001 . 1 . . . A 206 GLU C . 30021 1 175 . 1 1 41 41 GLU CA C 13 57.79 0.002 . 1 . . . A 206 GLU CA . 30021 1 176 . 1 1 42 42 ALA H H 1 8.32 0.002 . 1 . . . A 207 ALA H . 30021 1 177 . 1 1 42 42 ALA C C 13 179.33 0.001 . 1 . . . A 207 ALA C . 30021 1 178 . 1 1 42 42 ALA CA C 13 54.38 0.002 . 1 . . . A 207 ALA CA . 30021 1 179 . 1 1 42 42 ALA N N 15 122.70 0.010 . 1 . . . A 207 ALA N . 30021 1 180 . 1 1 43 43 GLU H H 1 7.87 0.002 . 1 . . . A 208 GLU H . 30021 1 181 . 1 1 43 43 GLU C C 13 178.39 0.001 . 1 . . . A 208 GLU C . 30021 1 182 . 1 1 43 43 GLU CA C 13 57.83 0.002 . 1 . . . A 208 GLU CA . 30021 1 183 . 1 1 43 43 GLU N N 15 118.02 0.010 . 1 . . . A 208 GLU N . 30021 1 184 . 1 1 44 44 ALA H H 1 8.01 0.002 . 1 . . . A 209 ALA H . 30021 1 185 . 1 1 44 44 ALA CA C 13 54.07 0.002 . 1 . . . A 209 ALA CA . 30021 1 186 . 1 1 44 44 ALA CB C 13 20.03 0.005 . 1 . . . A 209 ALA CB . 30021 1 187 . 1 1 44 44 ALA N N 15 122.97 0.010 . 1 . . . A 209 ALA N . 30021 1 188 . 1 1 45 45 HIS C C 13 175.38 0.001 . 1 . . . A 210 HIS C . 30021 1 189 . 1 1 45 45 HIS CA C 13 55.73 0.002 . 1 . . . A 210 HIS CA . 30021 1 190 . 1 1 46 46 THR H H 1 7.87 0.002 . 1 . . . A 211 THR H . 30021 1 191 . 1 1 46 46 THR C C 13 174.94 0.001 . 1 . . . A 211 THR C . 30021 1 192 . 1 1 46 46 THR CA C 13 63.28 0.002 . 1 . . . A 211 THR CA . 30021 1 193 . 1 1 46 46 THR N N 15 114.44 0.010 . 1 . . . A 211 THR N . 30021 1 194 . 1 1 47 47 ASP H H 1 8.35 0.002 . 1 . . . A 212 ASP H . 30021 1 195 . 1 1 47 47 ASP C C 13 177.08 0.001 . 1 . . . A 212 ASP C . 30021 1 196 . 1 1 47 47 ASP CA C 13 54.80 0.002 . 1 . . . A 212 ASP CA . 30021 1 197 . 1 1 47 47 ASP CB C 13 43.03 0.005 . 1 . . . A 212 ASP CB . 30021 1 198 . 1 1 47 47 ASP N N 15 121.87 0.010 . 1 . . . A 212 ASP N . 30021 1 199 . 1 1 48 48 ARG H H 1 8.17 0.002 . 1 . . . A 213 ARG H . 30021 1 200 . 1 1 48 48 ARG C C 13 177.26 0.001 . 1 . . . A 213 ARG C . 30021 1 201 . 1 1 48 48 ARG CA C 13 57.49 0.002 . 1 . . . A 213 ARG CA . 30021 1 202 . 1 1 48 48 ARG CB C 13 32.08 0.005 . 1 . . . A 213 ARG CB . 30021 1 203 . 1 1 48 48 ARG N N 15 120.96 0.010 . 1 . . . A 213 ARG N . 30021 1 204 . 1 1 49 49 VAL H H 1 7.87 0.002 . 1 . . . A 214 VAL H . 30021 1 205 . 1 1 49 49 VAL C C 13 177.06 0.001 . 1 . . . A 214 VAL C . 30021 1 206 . 1 1 49 49 VAL CA C 13 63.80 0.002 . 1 . . . A 214 VAL CA . 30021 1 207 . 1 1 49 49 VAL N N 15 119.40 0.010 . 1 . . . A 214 VAL N . 30021 1 208 . 1 1 50 50 ALA H H 1 8.02 0.002 . 1 . . . A 215 ALA H . 30021 1 209 . 1 1 50 50 ALA C C 13 179.24 0.001 . 1 . . . A 215 ALA C . 30021 1 210 . 1 1 50 50 ALA CA C 13 53.43 0.002 . 1 . . . A 215 ALA CA . 30021 1 211 . 1 1 50 50 ALA N N 15 125.45 0.010 . 1 . . . A 215 ALA N . 30021 1 212 . 1 1 51 51 TRP H H 1 8.05 0.002 . 1 . . . A 216 TRP H . 30021 1 213 . 1 1 51 51 TRP C C 13 177.36 0.001 . 1 . . . A 216 TRP C . 30021 1 214 . 1 1 51 51 TRP CA C 13 59.04 0.002 . 1 . . . A 216 TRP CA . 30021 1 215 . 1 1 51 51 TRP CB C 13 31.88 0.005 . 1 . . . A 216 TRP CB . 30021 1 216 . 1 1 51 51 TRP N N 15 119.86 0.010 . 1 . . . A 216 TRP N . 30021 1 217 . 1 1 52 52 ALA H H 1 8.08 0.002 . 1 . . . A 217 ALA H . 30021 1 218 . 1 1 52 52 ALA C C 13 179.08 0.001 . 1 . . . A 217 ALA C . 30021 1 219 . 1 1 52 52 ALA CA C 13 54.28 0.002 . 1 . . . A 217 ALA CA . 30021 1 220 . 1 1 52 52 ALA CB C 13 20.67 0.005 . 1 . . . A 217 ALA CB . 30021 1 221 . 1 1 52 52 ALA N N 15 122.61 0.010 . 1 . . . A 217 ALA N . 30021 1 222 . 1 1 53 53 GLY H H 1 7.79 0.002 . 1 . . . A 218 GLY H . 30021 1 223 . 1 1 53 53 GLY C C 13 175.81 0.001 . 1 . . . A 218 GLY C . 30021 1 224 . 1 1 53 53 GLY CA C 13 48.80 0.002 . 1 . . . A 218 GLY CA . 30021 1 225 . 1 1 53 53 GLY N N 15 105.64 0.010 . 1 . . . A 218 GLY N . 30021 1 226 . 1 1 54 54 PHE H H 1 7.93 0.002 . 1 . . . A 219 PHE H . 30021 1 227 . 1 1 54 54 PHE C C 13 177.29 0.001 . 1 . . . A 219 PHE C . 30021 1 228 . 1 1 54 54 PHE CA C 13 59.76 0.002 . 1 . . . A 219 PHE CA . 30021 1 229 . 1 1 54 54 PHE CB C 13 41.37 0.005 . 1 . . . A 219 PHE CB . 30021 1 230 . 1 1 54 54 PHE N N 15 121.60 0.010 . 1 . . . A 219 PHE N . 30021 1 231 . 1 1 55 55 ALA H H 1 8.19 0.002 . 1 . . . A 220 ALA H . 30021 1 232 . 1 1 55 55 ALA C C 13 178.38 0.001 . 1 . . . A 220 ALA C . 30021 1 233 . 1 1 55 55 ALA CA C 13 53.76 0.002 . 1 . . . A 220 ALA CA . 30021 1 234 . 1 1 55 55 ALA CB C 13 21.10 0.005 . 1 . . . A 220 ALA CB . 30021 1 235 . 1 1 55 55 ALA N N 15 122.97 0.010 . 1 . . . A 220 ALA N . 30021 1 236 . 1 1 56 56 ALA H H 1 8.02 0.002 . 1 . . . A 221 ALA H . 30021 1 237 . 1 1 56 56 ALA C C 13 178.96 0.001 . 1 . . . A 221 ALA C . 30021 1 238 . 1 1 56 56 ALA CA C 13 53.82 0.002 . 1 . . . A 221 ALA CA . 30021 1 239 . 1 1 56 56 ALA CB C 13 21.36 0.005 . 1 . . . A 221 ALA CB . 30021 1 240 . 1 1 56 56 ALA N N 15 120.31 0.010 . 1 . . . A 221 ALA N . 30021 1 241 . 1 1 57 57 SER H H 1 7.91 0.002 . 1 . . . A 222 SER H . 30021 1 242 . 1 1 57 57 SER C C 13 176.22 0.001 . 1 . . . A 222 SER C . 30021 1 243 . 1 1 57 57 SER CA C 13 60.28 0.002 . 1 . . . A 222 SER CA . 30021 1 244 . 1 1 57 57 SER CB C 13 66.23 0.005 . 1 . . . A 222 SER CB . 30021 1 245 . 1 1 57 57 SER N N 15 113.53 0.010 . 1 . . . A 222 SER N . 30021 1 246 . 1 1 58 58 GLY H H 1 8.13 0.002 . 1 . . . A 223 GLY H . 30021 1 247 . 1 1 58 58 GLY C C 13 175.24 0.001 . 1 . . . A 223 GLY C . 30021 1 248 . 1 1 58 58 GLY CA C 13 48.49 0.002 . 1 . . . A 223 GLY CA . 30021 1 249 . 1 1 58 58 GLY N N 15 110.32 0.010 . 1 . . . A 223 GLY N . 30021 1 250 . 1 1 59 59 VAL H H 1 7.84 0.002 . 1 . . . A 224 VAL H . 30021 1 251 . 1 1 59 59 VAL C C 13 176.61 0.001 . 1 . . . A 224 VAL C . 30021 1 252 . 1 1 59 59 VAL CA C 13 64.01 0.002 . 1 . . . A 224 VAL CA . 30021 1 253 . 1 1 59 59 VAL CB C 13 33.79 0.005 . 1 . . . A 224 VAL CB . 30021 1 254 . 1 1 59 59 VAL N N 15 119.95 0.010 . 1 . . . A 224 VAL N . 30021 1 255 . 1 1 60 60 GLN H H 1 8.17 0.002 . 1 . . . A 225 GLN H . 30021 1 256 . 1 1 60 60 GLN C C 13 176.87 0.001 . 1 . . . A 225 GLN C . 30021 1 257 . 1 1 60 60 GLN CA C 13 57.42 0.002 . 1 . . . A 225 GLN CA . 30021 1 258 . 1 1 60 60 GLN CB C 13 31.36 0.005 . 1 . . . A 225 GLN CB . 30021 1 259 . 1 1 60 60 GLN N N 15 121.14 0.010 . 1 . . . A 225 GLN N . 30021 1 260 . 1 1 61 61 THR H H 1 8.02 0.002 . 1 . . . A 226 THR H . 30021 1 261 . 1 1 61 61 THR C C 13 176.28 0.001 . 1 . . . A 226 THR C . 30021 1 262 . 1 1 61 61 THR CA C 13 63.59 0.002 . 1 . . . A 226 THR CA . 30021 1 263 . 1 1 61 61 THR CB C 13 72.19 0.005 . 1 . . . A 226 THR CB . 30021 1 264 . 1 1 61 61 THR N N 15 113.07 0.010 . 1 . . . A 226 THR N . 30021 1 265 . 1 1 62 62 GLY H H 1 8.27 0.002 . 1 . . . A 227 GLY H . 30021 1 266 . 1 1 62 62 GLY C C 13 175.54 0.001 . 1 . . . A 227 GLY C . 30021 1 267 . 1 1 62 62 GLY CA C 13 48.56 0.002 . 1 . . . A 227 GLY CA . 30021 1 268 . 1 1 62 62 GLY N N 15 110.96 0.010 . 1 . . . A 227 GLY N . 30021 1 269 . 1 1 63 63 LEU H H 1 8.07 0.002 . 1 . . . A 228 LEU H . 30021 1 270 . 1 1 63 63 LEU C C 13 178.06 0.001 . 1 . . . A 228 LEU C . 30021 1 271 . 1 1 63 63 LEU CA C 13 57.56 0.002 . 1 . . . A 228 LEU CA . 30021 1 272 . 1 1 63 63 LEU CB C 13 44.73 0.005 . 1 . . . A 228 LEU CB . 30021 1 273 . 1 1 63 63 LEU N N 15 122.15 0.010 . 1 . . . A 228 LEU N . 30021 1 274 . 1 1 64 64 PHE H H 1 8.05 0.002 . 1 . . . A 229 PHE H . 30021 1 275 . 1 1 64 64 PHE C C 13 177.45 0.001 . 1 . . . A 229 PHE C . 30021 1 276 . 1 1 64 64 PHE CA C 13 59.66 0.002 . 1 . . . A 229 PHE CA . 30021 1 277 . 1 1 64 64 PHE CB C 13 40.29 0.005 . 1 . . . A 229 PHE CB . 30021 1 278 . 1 1 64 64 PHE N N 15 116.19 0.010 . 1 . . . A 229 PHE N . 30021 1 279 . 1 1 65 65 ALA H H 1 7.78 0.002 . 1 . . . A 230 ALA H . 30021 1 280 . 1 1 65 65 ALA C C 13 179.03 0.001 . 1 . . . A 230 ALA C . 30021 1 281 . 1 1 65 65 ALA CA C 13 53.97 0.002 . 1 . . . A 230 ALA CA . 30021 1 282 . 1 1 65 65 ALA CB C 13 21.28 0.005 . 1 . . . A 230 ALA CB . 30021 1 283 . 1 1 65 65 ALA N N 15 121.05 0.010 . 1 . . . A 230 ALA N . 30021 1 284 . 1 1 66 66 ARG H H 1 7.66 0.002 . 1 . . . A 231 ARG H . 30021 1 285 . 1 1 66 66 ARG C C 13 176.93 0.001 . 1 . . . A 231 ARG C . 30021 1 286 . 1 1 66 66 ARG CA C 13 56.66 0.002 . 1 . . . A 231 ARG CA . 30021 1 287 . 1 1 66 66 ARG CB C 13 32.31 0.005 . 1 . . . A 231 ARG CB . 30021 1 288 . 1 1 66 66 ARG N N 15 116.37 0.010 . 1 . . . A 231 ARG N . 30021 1 289 . 1 1 67 67 LEU H H 1 7.60 0.002 . 1 . . . A 232 LEU H . 30021 1 290 . 1 1 67 67 LEU C C 13 177.32 0.001 . 1 . . . A 232 LEU C . 30021 1 291 . 1 1 67 67 LEU CA C 13 55.31 0.002 . 1 . . . A 232 LEU CA . 30021 1 292 . 1 1 67 67 LEU CB C 13 43.95 0.005 . 1 . . . A 232 LEU CB . 30021 1 293 . 1 1 67 67 LEU N N 15 119.58 0.010 . 1 . . . A 232 LEU N . 30021 1 294 . 1 1 68 68 THR H H 1 7.66 0.002 . 1 . . . A 233 THR H . 30021 1 295 . 1 1 68 68 THR C C 13 175.30 0.001 . 1 . . . A 233 THR C . 30021 1 296 . 1 1 68 68 THR CA C 13 62.23 0.002 . 1 . . . A 233 THR CA . 30021 1 297 . 1 1 68 68 THR CB C 13 71.55 0.005 . 1 . . . A 233 THR CB . 30021 1 298 . 1 1 68 68 THR N N 15 112.33 0.010 . 1 . . . A 233 THR N . 30021 1 299 . 1 1 69 69 TRP H H 1 7.42 0.002 . 1 . . . A 234 TRP H . 30021 1 300 . 1 1 69 69 TRP C C 13 176.41 0.001 . 1 . . . A 234 TRP C . 30021 1 301 . 1 1 69 69 TRP CA C 13 57.60 0.002 . 1 . . . A 234 TRP CA . 30021 1 302 . 1 1 69 69 TRP N N 15 120.77 0.010 . 1 . . . A 234 TRP N . 30021 1 303 . 1 1 70 70 TRP H H 1 7.21 0.002 . 1 . . . A 235 TRP H . 30021 1 304 . 1 1 70 70 TRP C C 13 176.00 0.001 . 1 . . . A 235 TRP C . 30021 1 305 . 1 1 70 70 TRP CA C 13 58.11 0.002 . 1 . . . A 235 TRP CA . 30021 1 306 . 1 1 70 70 TRP CB C 13 31.76 0.005 . 1 . . . A 235 TRP CB . 30021 1 307 . 1 1 70 70 TRP N N 15 120.50 0.010 . 1 . . . A 235 TRP N . 30021 1 308 . 1 1 71 71 GLU H H 1 7.67 0.002 . 1 . . . A 236 GLU H . 30021 1 309 . 1 1 71 71 GLU C C 13 176.34 0.001 . 1 . . . A 236 GLU C . 30021 1 310 . 1 1 71 71 GLU CA C 13 56.39 0.002 . 1 . . . A 236 GLU CA . 30021 1 311 . 1 1 71 71 GLU CB C 13 31.02 0.005 . 1 . . . A 236 GLU CB . 30021 1 312 . 1 1 71 71 GLU N N 15 120.59 0.010 . 1 . . . A 236 GLU N . 30021 1 313 . 1 1 72 72 TYR H H 1 7.39 0.002 . 1 . . . A 237 TYR H . 30021 1 314 . 1 1 72 72 TYR C C 13 175.30 0.001 . 1 . . . A 237 TYR C . 30021 1 315 . 1 1 72 72 TYR CA C 13 57.87 0.002 . 1 . . . A 237 TYR CA . 30021 1 316 . 1 1 72 72 TYR CB C 13 40.98 0.005 . 1 . . . A 237 TYR CB . 30021 1 317 . 1 1 72 72 TYR N N 15 120.04 0.010 . 1 . . . A 237 TYR N . 30021 1 318 . 1 1 73 73 SER H H 1 7.70 0.002 . 1 . . . A 238 SER H . 30021 1 319 . 1 1 73 73 SER C C 13 174.87 0.001 . 1 . . . A 238 SER C . 30021 1 320 . 1 1 73 73 SER CA C 13 58.53 0.002 . 1 . . . A 238 SER CA . 30021 1 321 . 1 1 73 73 SER N N 15 115.36 0.010 . 1 . . . A 238 SER N . 30021 1 322 . 1 1 74 74 TRP H H 1 8.23 0.002 . 1 . . . A 239 TRP H . 30021 1 323 . 1 1 74 74 TRP C C 13 176.61 0.001 . 1 . . . A 239 TRP C . 30021 1 324 . 1 1 74 74 TRP CA C 13 58.37 0.002 . 1 . . . A 239 TRP CA . 30021 1 325 . 1 1 74 74 TRP CB C 13 31.79 0.005 . 1 . . . A 239 TRP CB . 30021 1 326 . 1 1 74 74 TRP N N 15 122.51 0.010 . 1 . . . A 239 TRP N . 30021 1 327 . 1 1 75 75 ASP H H 1 8.20 0.002 . 1 . . . A 240 ASP H . 30021 1 328 . 1 1 75 75 ASP C C 13 177.33 0.001 . 1 . . . A 240 ASP C . 30021 1 329 . 1 1 75 75 ASP CA C 13 55.57 0.002 . 1 . . . A 240 ASP CA . 30021 1 330 . 1 1 75 75 ASP CB C 13 43.20 0.005 . 1 . . . A 240 ASP CB . 30021 1 331 . 1 1 75 75 ASP N N 15 119.12 0.010 . 1 . . . A 240 ASP N . 30021 1 332 . 1 1 76 76 ILE H H 1 7.60 0.002 . 1 . . . A 241 ILE H . 30021 1 333 . 1 1 76 76 ILE C C 13 175.70 0.001 . 1 . . . A 241 ILE C . 30021 1 334 . 1 1 76 76 ILE CA C 13 62.04 0.002 . 1 . . . A 241 ILE CA . 30021 1 335 . 1 1 76 76 ILE CB C 13 40.72 0.005 . 1 . . . A 241 ILE CB . 30021 1 336 . 1 1 76 76 ILE N N 15 117.56 0.010 . 1 . . . A 241 ILE N . 30021 1 337 . 1 1 77 77 VAL H H 1 7.53 0.002 . 1 . . . A 242 VAL H . 30021 1 338 . 1 1 77 77 VAL C C 13 176.90 0.001 . 1 . . . A 242 VAL C . 30021 1 339 . 1 1 77 77 VAL CA C 13 63.66 0.002 . 1 . . . A 242 VAL CA . 30021 1 340 . 1 1 77 77 VAL N N 15 117.03 0.010 . 1 . . . A 242 VAL N . 30021 1 341 . 1 1 78 78 GLU H H 1 8.11 0.002 . 1 . . . A 243 GLU H . 30021 1 342 . 1 1 78 78 GLU CA C 13 59.45 0.002 . 1 . . . A 243 GLU CA . 30021 1 343 . 1 1 78 78 GLU N N 15 121.96 0.010 . 1 . . . A 243 GLU N . 30021 1 344 . 1 1 79 79 PRO C C 13 178.30 0.001 . 1 . . . A 244 PRO C . 30021 1 345 . 1 1 80 80 VAL H H 1 7.81 0.002 . 1 . . . A 245 VAL H . 30021 1 346 . 1 1 80 80 VAL C C 13 177.75 0.001 . 1 . . . A 245 VAL C . 30021 1 347 . 1 1 80 80 VAL CA C 13 65.88 0.002 . 1 . . . A 245 VAL CA . 30021 1 348 . 1 1 80 80 VAL N N 15 115.36 0.010 . 1 . . . A 245 VAL N . 30021 1 349 . 1 1 81 81 THR H H 1 8.00 0.002 . 1 . . . A 246 THR H . 30021 1 350 . 1 1 81 81 THR C C 13 176.94 0.001 . 1 . . . A 246 THR C . 30021 1 351 . 1 1 81 81 THR CA C 13 65.62 0.002 . 1 . . . A 246 THR CA . 30021 1 352 . 1 1 81 81 THR N N 15 114.26 0.010 . 1 . . . A 246 THR N . 30021 1 353 . 1 1 82 82 TYR H H 1 7.82 0.002 . 1 . . . A 247 TYR H . 30021 1 354 . 1 1 82 82 TYR C C 13 177.63 0.001 . 1 . . . A 247 TYR C . 30021 1 355 . 1 1 82 82 TYR CA C 13 60.60 0.002 . 1 . . . A 247 TYR CA . 30021 1 356 . 1 1 82 82 TYR N N 15 122.15 0.010 . 1 . . . A 247 TYR N . 30021 1 357 . 1 1 83 83 PHE H H 1 8.08 0.002 . 1 . . . A 248 PHE H . 30021 1 358 . 1 1 83 83 PHE C C 13 177.62 0.001 . 1 . . . A 248 PHE C . 30021 1 359 . 1 1 83 83 PHE CA C 13 60.18 0.002 . 1 . . . A 248 PHE CA . 30021 1 360 . 1 1 83 83 PHE CB C 13 40.72 0.005 . 1 . . . A 248 PHE CB . 30021 1 361 . 1 1 83 83 PHE N N 15 118.30 0.010 . 1 . . . A 248 PHE N . 30021 1 362 . 1 1 84 84 ALA H H 1 8.25 0.002 . 1 . . . A 249 ALA H . 30021 1 363 . 1 1 84 84 ALA C C 13 179.25 0.001 . 1 . . . A 249 ALA C . 30021 1 364 . 1 1 84 84 ALA CA C 13 54.94 0.002 . 1 . . . A 249 ALA CA . 30021 1 365 . 1 1 84 84 ALA CB C 13 21.53 0.005 . 1 . . . A 249 ALA CB . 30021 1 366 . 1 1 84 84 ALA N N 15 121.96 0.010 . 1 . . . A 249 ALA N . 30021 1 367 . 1 1 85 85 THR H H 1 7.88 0.002 . 1 . . . A 250 THR H . 30021 1 368 . 1 1 85 85 THR CA C 13 64.53 0.002 . 1 . . . A 250 THR CA . 30021 1 369 . 1 1 85 85 THR N N 15 112.79 0.010 . 1 . . . A 250 THR N . 30021 1 370 . 1 1 86 86 TYR C C 13 177.26 0.001 . 1 . . . A 251 TYR C . 30021 1 371 . 1 1 86 86 TYR CA C 13 60.67 0.002 . 1 . . . A 251 TYR CA . 30021 1 372 . 1 1 87 87 SER H H 1 8.13 0.002 . 1 . . . A 252 SER H . 30021 1 373 . 1 1 87 87 SER C C 13 176.55 0.001 . 1 . . . A 252 SER C . 30021 1 374 . 1 1 87 87 SER CA C 13 62.39 0.002 . 1 . . . A 252 SER CA . 30021 1 375 . 1 1 87 87 SER N N 15 115.82 0.010 . 1 . . . A 252 SER N . 30021 1 376 . 1 1 88 88 THR H H 1 7.79 0.002 . 1 . . . A 253 THR H . 30021 1 377 . 1 1 88 88 THR C C 13 177.49 0.001 . 1 . . . A 253 THR C . 30021 1 378 . 1 1 88 88 THR CA C 13 66.21 0.002 . 1 . . . A 253 THR CA . 30021 1 379 . 1 1 88 88 THR N N 15 118.11 0.010 . 1 . . . A 253 THR N . 30021 1 380 . 1 1 89 89 VAL H H 1 7.81 0.002 . 1 . . . A 254 VAL H . 30021 1 381 . 1 1 89 89 VAL C C 13 178.06 0.001 . 1 . . . A 254 VAL C . 30021 1 382 . 1 1 89 89 VAL CA C 13 66.08 0.002 . 1 . . . A 254 VAL CA . 30021 1 383 . 1 1 89 89 VAL CB C 13 33.32 0.005 . 1 . . . A 254 VAL CB . 30021 1 384 . 1 1 89 89 VAL N N 15 123.89 0.010 . 1 . . . A 254 VAL N . 30021 1 385 . 1 1 90 90 ALA H H 1 8.15 0.002 . 1 . . . A 255 ALA H . 30021 1 386 . 1 1 90 90 ALA C C 13 179.48 0.001 . 1 . . . A 255 ALA C . 30021 1 387 . 1 1 90 90 ALA CA C 13 55.45 0.002 . 1 . . . A 255 ALA CA . 30021 1 388 . 1 1 90 90 ALA CB C 13 20.73 0.005 . 1 . . . A 255 ALA CB . 30021 1 389 . 1 1 90 90 ALA N N 15 122.33 0.010 . 1 . . . A 255 ALA N . 30021 1 390 . 1 1 91 91 ALA H H 1 8.17 0.002 . 1 . . . A 256 ALA H . 30021 1 391 . 1 1 91 91 ALA C C 13 179.91 0.001 . 1 . . . A 256 ALA C . 30021 1 392 . 1 1 91 91 ALA CA C 13 55.06 0.002 . 1 . . . A 256 ALA CA . 30021 1 393 . 1 1 91 91 ALA CB C 13 20.73 0.005 . 1 . . . A 256 ALA CB . 30021 1 394 . 1 1 91 91 ALA N N 15 119.21 0.010 . 1 . . . A 256 ALA N . 30021 1 395 . 1 1 92 92 THR H H 1 8.05 0.002 . 1 . . . A 257 THR H . 30021 1 396 . 1 1 92 92 THR C C 13 176.82 0.001 . 1 . . . A 257 THR C . 30021 1 397 . 1 1 92 92 THR CA C 13 66.90 0.002 . 1 . . . A 257 THR CA . 30021 1 398 . 1 1 92 92 THR CB C 13 71.62 0.005 . 1 . . . A 257 THR CB . 30021 1 399 . 1 1 92 92 THR N N 15 114.99 0.010 . 1 . . . A 257 THR N . 30021 1 400 . 1 1 93 93 PHE H H 1 8.34 0.002 . 1 . . . A 258 PHE H . 30021 1 401 . 1 1 93 93 PHE C C 13 177.98 0.001 . 1 . . . A 258 PHE C . 30021 1 402 . 1 1 93 93 PHE CA C 13 61.11 0.002 . 1 . . . A 258 PHE CA . 30021 1 403 . 1 1 93 93 PHE CB C 13 41.58 0.005 . 1 . . . A 258 PHE CB . 30021 1 404 . 1 1 93 93 PHE N N 15 122.42 0.010 . 1 . . . A 258 PHE N . 30021 1 405 . 1 1 94 94 GLY H H 1 8.74 0.002 . 1 . . . A 259 GLY H . 30021 1 406 . 1 1 94 94 GLY C C 13 174.82 0.001 . 1 . . . A 259 GLY C . 30021 1 407 . 1 1 94 94 GLY CA C 13 49.97 0.002 . 1 . . . A 259 GLY CA . 30021 1 408 . 1 1 94 94 GLY N N 15 106.83 0.010 . 1 . . . A 259 GLY N . 30021 1 409 . 1 1 95 95 TYR H H 1 8.29 0.002 . 1 . . . A 260 TYR H . 30021 1 410 . 1 1 95 95 TYR C C 13 178.28 0.001 . 1 . . . A 260 TYR C . 30021 1 411 . 1 1 95 95 TYR CA C 13 61.92 0.002 . 1 . . . A 260 TYR CA . 30021 1 412 . 1 1 95 95 TYR N N 15 121.78 0.010 . 1 . . . A 260 TYR N . 30021 1 413 . 1 1 96 96 TYR H H 1 7.98 0.002 . 1 . . . A 261 TYR H . 30021 1 414 . 1 1 96 96 TYR C C 13 177.80 0.001 . 1 . . . A 261 TYR C . 30021 1 415 . 1 1 96 96 TYR CA C 13 61.42 0.002 . 1 . . . A 261 TYR CA . 30021 1 416 . 1 1 96 96 TYR CB C 13 40.20 0.005 . 1 . . . A 261 TYR CB . 30021 1 417 . 1 1 96 96 TYR N N 15 120.31 0.010 . 1 . . . A 261 TYR N . 30021 1 418 . 1 1 97 97 LEU H H 1 8.06 0.002 . 1 . . . A 262 LEU H . 30021 1 419 . 1 1 97 97 LEU C C 13 178.51 0.001 . 1 . . . A 262 LEU C . 30021 1 420 . 1 1 97 97 LEU CA C 13 57.59 0.002 . 1 . . . A 262 LEU CA . 30021 1 421 . 1 1 97 97 LEU CB C 13 44.17 0.005 . 1 . . . A 262 LEU CB . 30021 1 422 . 1 1 97 97 LEU N N 15 119.30 0.010 . 1 . . . A 262 LEU N . 30021 1 423 . 1 1 98 98 TYR H H 1 7.99 0.002 . 1 . . . A 263 TYR H . 30021 1 424 . 1 1 98 98 TYR C C 13 176.90 0.001 . 1 . . . A 263 TYR C . 30021 1 425 . 1 1 98 98 TYR CA C 13 60.59 0.002 . 1 . . . A 263 TYR CA . 30021 1 426 . 1 1 98 98 TYR N N 15 117.38 0.010 . 1 . . . A 263 TYR N . 30021 1 427 . 1 1 99 99 THR C C 13 175.92 0.001 . 1 . . . A 264 THR C . 30021 1 428 . 1 1 99 99 THR CA C 13 63.18 0.002 . 1 . . . A 264 THR CA . 30021 1 429 . 1 1 100 100 GLN H H 1 7.67 0.002 . 1 . . . A 265 GLN H . 30021 1 430 . 1 1 100 100 GLN C C 13 176.16 0.001 . 1 . . . A 265 GLN C . 30021 1 431 . 1 1 100 100 GLN CA C 13 56.04 0.002 . 1 . . . A 265 GLN CA . 30021 1 432 . 1 1 100 100 GLN CB C 13 31.13 0.005 . 1 . . . A 265 GLN CB . 30021 1 433 . 1 1 100 100 GLN N N 15 120.50 0.010 . 1 . . . A 265 GLN N . 30021 1 434 . 1 1 101 101 GLN H H 1 7.87 0.002 . 1 . . . A 266 GLN H . 30021 1 435 . 1 1 101 101 GLN C C 13 175.70 0.001 . 1 . . . A 266 GLN C . 30021 1 436 . 1 1 101 101 GLN CA C 13 55.76 0.002 . 1 . . . A 266 GLN CA . 30021 1 437 . 1 1 101 101 GLN CB C 13 31.21 0.005 . 1 . . . A 266 GLN CB . 30021 1 438 . 1 1 101 101 GLN N N 15 118.85 0.010 . 1 . . . A 266 GLN N . 30021 1 439 . 1 1 102 102 SER H H 1 7.91 0.002 . 1 . . . A 267 SER H . 30021 1 440 . 1 1 102 102 SER C C 13 174.12 0.001 . 1 . . . A 267 SER C . 30021 1 441 . 1 1 102 102 SER CA C 13 58.50 0.002 . 1 . . . A 267 SER CA . 30021 1 442 . 1 1 102 102 SER CB C 13 66.91 0.005 . 1 . . . A 267 SER CB . 30021 1 443 . 1 1 102 102 SER N N 15 115.36 0.010 . 1 . . . A 267 SER N . 30021 1 444 . 1 1 103 103 PHE H H 1 8.26 0.002 . 1 . . . A 268 PHE H . 30021 1 445 . 1 1 103 103 PHE C C 13 174.77 0.001 . 1 . . . A 268 PHE C . 30021 1 446 . 1 1 103 103 PHE CA C 13 57.49 0.002 . 1 . . . A 268 PHE CA . 30021 1 447 . 1 1 103 103 PHE CB C 13 42.01 0.005 . 1 . . . A 268 PHE CB . 30021 1 448 . 1 1 103 103 PHE N N 15 121.96 0.010 . 1 . . . A 268 PHE N . 30021 1 449 . 1 1 104 104 GLU H H 1 7.94 0.002 . 1 . . . A 269 GLU H . 30021 1 450 . 1 1 104 104 GLU C C 13 175.60 0.001 . 1 . . . A 269 GLU C . 30021 1 451 . 1 1 104 104 GLU CA C 13 55.33 0.002 . 1 . . . A 269 GLU CA . 30021 1 452 . 1 1 104 104 GLU CB C 13 33.11 0.005 . 1 . . . A 269 GLU CB . 30021 1 453 . 1 1 104 104 GLU N N 15 121.96 0.010 . 1 . . . A 269 GLU N . 30021 1 454 . 1 1 105 105 TYR H H 1 8.36 0.002 . 1 . . . A 270 TYR H . 30021 1 455 . 1 1 105 105 TYR CA C 13 57.18 0.002 . 1 . . . A 270 TYR CA . 30021 1 456 . 1 1 105 105 TYR N N 15 122.61 0.010 . 1 . . . A 270 TYR N . 30021 1 457 . 1 1 106 106 PRO C C 13 177.10 0.001 . 1 . . . A 271 PRO C . 30021 1 458 . 1 1 106 106 PRO CA C 13 63.77 0.002 . 1 . . . A 271 PRO CA . 30021 1 459 . 1 1 107 107 SER H H 1 8.19 0.002 . 1 . . . A 272 SER H . 30021 1 460 . 1 1 107 107 SER C C 13 175.53 0.001 . 1 . . . A 272 SER C . 30021 1 461 . 1 1 107 107 SER CA C 13 58.80 0.002 . 1 . . . A 272 SER CA . 30021 1 462 . 1 1 107 107 SER N N 15 115.27 0.010 . 1 . . . A 272 SER N . 30021 1 463 . 1 1 108 108 ALA H H 1 8.30 0.002 . 1 . . . A 273 ALA H . 30021 1 464 . 1 1 108 108 ALA C C 13 178.90 0.001 . 1 . . . A 273 ALA C . 30021 1 465 . 1 1 108 108 ALA CA C 13 54.18 0.002 . 1 . . . A 273 ALA CA . 30021 1 466 . 1 1 108 108 ALA N N 15 125.45 0.010 . 1 . . . A 273 ALA N . 30021 1 467 . 1 1 109 109 ARG H H 1 8.17 0.002 . 1 . . . A 274 ARG H . 30021 1 468 . 1 1 109 109 ARG C C 13 178.38 0.001 . 1 . . . A 274 ARG C . 30021 1 469 . 1 1 109 109 ARG CA C 13 58.17 0.002 . 1 . . . A 274 ARG CA . 30021 1 470 . 1 1 109 109 ARG N N 15 118.20 0.010 . 1 . . . A 274 ARG N . 30021 1 471 . 1 1 110 110 GLU H H 1 8.17 0.002 . 1 . . . A 275 GLU H . 30021 1 472 . 1 1 110 110 GLU C C 13 178.47 0.001 . 1 . . . A 275 GLU C . 30021 1 473 . 1 1 110 110 GLU CA C 13 60.71 0.002 . 1 . . . A 275 GLU CA . 30021 1 474 . 1 1 110 110 GLU CB C 13 32.33 0.005 . 1 . . . A 275 GLU CB . 30021 1 475 . 1 1 110 110 GLU N N 15 120.22 0.010 . 1 . . . A 275 GLU N . 30021 1 476 . 1 1 111 111 ARG H H 1 8.12 0.002 . 1 . . . A 276 ARG H . 30021 1 477 . 1 1 111 111 ARG C C 13 176.83 0.001 . 1 . . . A 276 ARG C . 30021 1 478 . 1 1 111 111 ARG CA C 13 56.56 0.002 . 1 . . . A 276 ARG CA . 30021 1 479 . 1 1 111 111 ARG CB C 13 35.33 0.005 . 1 . . . A 276 ARG CB . 30021 1 480 . 1 1 111 111 ARG N N 15 126.55 0.010 . 1 . . . A 276 ARG N . 30021 1 481 . 1 1 112 112 VAL H H 1 7.97 0.002 . 1 . . . A 277 VAL H . 30021 1 482 . 1 1 112 112 VAL CA C 13 68.13 0.002 . 1 . . . A 277 VAL CA . 30021 1 483 . 1 1 112 112 VAL CB C 13 32.53 0.005 . 1 . . . A 277 VAL CB . 30021 1 484 . 1 1 112 112 VAL N N 15 122.61 0.010 . 1 . . . A 277 VAL N . 30021 1 485 . 1 1 113 113 TYR C C 13 175.87 0.001 . 1 . . . A 278 TYR C . 30021 1 486 . 1 1 113 113 TYR CA C 13 57.79 0.002 . 1 . . . A 278 TYR CA . 30021 1 487 . 1 1 114 114 THR H H 1 7.89 0.002 . 1 . . . A 279 THR H . 30021 1 488 . 1 1 114 114 THR C C 13 174.18 0.001 . 1 . . . A 279 THR C . 30021 1 489 . 1 1 114 114 THR CA C 13 61.72 0.002 . 1 . . . A 279 THR CA . 30021 1 490 . 1 1 114 114 THR CB C 13 72.63 0.005 . 1 . . . A 279 THR CB . 30021 1 491 . 1 1 114 114 THR N N 15 117.01 0.010 . 1 . . . A 279 THR N . 30021 1 492 . 1 1 115 115 LYS H H 1 8.18 0.002 . 1 . . . A 280 LYS H . 30021 1 493 . 1 1 115 115 LYS C C 13 175.73 0.001 . 1 . . . A 280 LYS C . 30021 1 494 . 1 1 115 115 LYS CA C 13 56.45 0.002 . 1 . . . A 280 LYS CA . 30021 1 495 . 1 1 115 115 LYS CB C 13 35.12 0.005 . 1 . . . A 280 LYS CB . 30021 1 496 . 1 1 115 115 LYS N N 15 125.08 0.010 . 1 . . . A 280 LYS N . 30021 1 497 . 1 1 116 116 GLN H H 1 7.94 0.002 . 1 . . . A 281 GLN H . 30021 1 498 . 1 1 116 116 GLN C C 13 180.78 0.001 . 1 . . . A 281 GLN C . 30021 1 499 . 1 1 116 116 GLN CA C 13 57.28 0.002 . 1 . . . A 281 GLN CA . 30021 1 500 . 1 1 116 116 GLN CB C 13 32.74 0.005 . 1 . . . A 281 GLN CB . 30021 1 501 . 1 1 116 116 GLN N N 15 104.54 0.010 . 1 . . . A 281 GLN N . 30021 1 502 . 1 1 120 120 ARG C C 13 175.22 0.001 . 1 . . . A 285 ARG C . 30021 1 503 . 1 1 121 121 ALA H H 1 8.19 0.002 . 1 . . . A 286 ALA H . 30021 1 504 . 1 1 121 121 ALA C C 13 173.65 0.001 . 1 . . . A 286 ALA C . 30021 1 505 . 1 1 121 121 ALA CA C 13 52.15 0.002 . 1 . . . A 286 ALA CA . 30021 1 506 . 1 1 121 121 ALA N N 15 125.82 0.010 . 1 . . . A 286 ALA N . 30021 1 507 . 1 1 122 122 GLN H H 1 8.29 0.002 . 1 . . . A 287 GLN H . 30021 1 508 . 1 1 122 122 GLN N N 15 125.72 0.010 . 1 . . . A 287 GLN N . 30021 1 509 . 1 1 123 123 LYS C C 13 177.10 0.001 . 1 . . . A 288 LYS C . 30021 1 510 . 1 1 123 123 LYS CA C 13 56.86 0.002 . 1 . . . A 288 LYS CA . 30021 1 511 . 1 1 124 124 GLN H H 1 7.67 0.002 . 1 . . . A 289 GLN H . 30021 1 512 . 1 1 124 124 GLN C C 13 175.32 0.001 . 1 . . . A 289 GLN C . 30021 1 513 . 1 1 124 124 GLN CA C 13 55.52 0.002 . 1 . . . A 289 GLN CA . 30021 1 514 . 1 1 124 124 GLN CB C 13 30.95 0.005 . 1 . . . A 289 GLN CB . 30021 1 515 . 1 1 124 124 GLN N N 15 118.39 0.010 . 1 . . . A 289 GLN N . 30021 1 516 . 1 1 125 125 ASN H H 1 8.11 0.002 . 1 . . . A 290 ASN H . 30021 1 517 . 1 1 125 125 ASN C C 13 174.77 0.001 . 1 . . . A 290 ASN C . 30021 1 518 . 1 1 125 125 ASN CA C 13 53.38 0.002 . 1 . . . A 290 ASN CA . 30021 1 519 . 1 1 125 125 ASN CB C 13 40.96 0.005 . 1 . . . A 290 ASN CB . 30021 1 520 . 1 1 125 125 ASN N N 15 118.48 0.010 . 1 . . . A 290 ASN N . 30021 1 521 . 1 1 126 126 PHE H H 1 8.23 0.002 . 1 . . . A 291 PHE H . 30021 1 522 . 1 1 126 126 PHE C C 13 174.63 0.001 . 1 . . . A 291 PHE C . 30021 1 523 . 1 1 126 126 PHE CA C 13 57.80 0.002 . 1 . . . A 291 PHE CA . 30021 1 524 . 1 1 126 126 PHE CB C 13 42.08 0.005 . 1 . . . A 291 PHE CB . 30021 1 525 . 1 1 126 126 PHE N N 15 120.77 0.010 . 1 . . . A 291 PHE N . 30021 1 526 . 1 1 127 127 ASP H H 1 8.07 0.002 . 1 . . . A 292 ASP H . 30021 1 527 . 1 1 127 127 ASP C C 13 176.53 0.001 . 1 . . . A 292 ASP C . 30021 1 528 . 1 1 127 127 ASP CA C 13 53.24 0.002 . 1 . . . A 292 ASP CA . 30021 1 529 . 1 1 127 127 ASP CB C 13 44.23 0.005 . 1 . . . A 292 ASP CB . 30021 1 530 . 1 1 127 127 ASP N N 15 123.71 0.010 . 1 . . . A 292 ASP N . 30021 1 531 . 1 1 128 128 ILE H H 1 8.35 0.002 . 1 . . . A 293 ILE H . 30021 1 532 . 1 1 128 128 ILE C C 13 177.09 0.001 . 1 . . . A 293 ILE C . 30021 1 533 . 1 1 128 128 ILE CA C 13 62.39 0.002 . 1 . . . A 293 ILE CA . 30021 1 534 . 1 1 128 128 ILE CB C 13 40.53 0.005 . 1 . . . A 293 ILE CB . 30021 1 535 . 1 1 128 128 ILE N N 15 123.52 0.010 . 1 . . . A 293 ILE N . 30021 1 536 . 1 1 129 129 GLU H H 1 8.21 0.002 . 1 . . . A 294 GLU H . 30021 1 537 . 1 1 129 129 GLU C C 13 179.64 0.001 . 1 . . . A 294 GLU C . 30021 1 538 . 1 1 129 129 GLU CA C 13 59.18 0.002 . 1 . . . A 294 GLU CA . 30021 1 539 . 1 1 129 129 GLU CB C 13 31.02 0.005 . 1 . . . A 294 GLU CB . 30021 1 540 . 1 1 129 129 GLU N N 15 122.06 0.010 . 1 . . . A 294 GLU N . 30021 1 541 . 1 1 130 130 LYS H H 1 7.74 0.002 . 1 . . . A 295 LYS H . 30021 1 542 . 1 1 130 130 LYS C C 13 178.39 0.001 . 1 . . . A 295 LYS C . 30021 1 543 . 1 1 130 130 LYS CA C 13 58.94 0.002 . 1 . . . A 295 LYS CA . 30021 1 544 . 1 1 130 130 LYS CB C 13 34.47 0.005 . 1 . . . A 295 LYS CB . 30021 1 545 . 1 1 130 130 LYS N N 15 119.58 0.010 . 1 . . . A 295 LYS N . 30021 1 546 . 1 1 131 131 TYR H H 1 7.61 0.002 . 1 . . . A 296 TYR H . 30021 1 547 . 1 1 131 131 TYR C C 13 176.63 0.001 . 1 . . . A 296 TYR C . 30021 1 548 . 1 1 131 131 TYR CA C 13 60.69 0.002 . 1 . . . A 296 TYR CA . 30021 1 549 . 1 1 131 131 TYR CB C 13 40.29 0.005 . 1 . . . A 296 TYR CB . 30021 1 550 . 1 1 131 131 TYR N N 15 119.12 0.010 . 1 . . . A 296 TYR N . 30021 1 551 . 1 1 132 132 ASN H H 1 8.34 0.002 . 1 . . . A 297 ASN H . 30021 1 552 . 1 1 132 132 ASN C C 13 178.43 0.001 . 1 . . . A 297 ASN C . 30021 1 553 . 1 1 132 132 ASN CA C 13 56.08 0.002 . 1 . . . A 297 ASN CA . 30021 1 554 . 1 1 132 132 ASN CB C 13 40.35 0.005 . 1 . . . A 297 ASN CB . 30021 1 555 . 1 1 132 132 ASN N N 15 118.48 0.010 . 1 . . . A 297 ASN N . 30021 1 556 . 1 1 133 133 ARG H H 1 8.02 0.002 . 1 . . . A 298 ARG H . 30021 1 557 . 1 1 133 133 ARG C C 13 178.47 0.001 . 1 . . . A 298 ARG C . 30021 1 558 . 1 1 133 133 ARG CA C 13 58.80 0.002 . 1 . . . A 298 ARG CA . 30021 1 559 . 1 1 133 133 ARG CB C 13 31.90 0.005 . 1 . . . A 298 ARG CB . 30021 1 560 . 1 1 133 133 ARG N N 15 120.59 0.010 . 1 . . . A 298 ARG N . 30021 1 561 . 1 1 134 134 LEU H H 1 7.75 0.002 . 1 . . . A 299 LEU H . 30021 1 562 . 1 1 134 134 LEU C C 13 178.49 0.001 . 1 . . . A 299 LEU C . 30021 1 563 . 1 1 134 134 LEU CA C 13 58.06 0.002 . 1 . . . A 299 LEU CA . 30021 1 564 . 1 1 134 134 LEU CB C 13 43.95 0.005 . 1 . . . A 299 LEU CB . 30021 1 565 . 1 1 134 134 LEU N N 15 120.86 0.010 . 1 . . . A 299 LEU N . 30021 1 566 . 1 1 135 135 VAL H H 1 7.92 0.002 . 1 . . . A 300 VAL H . 30021 1 567 . 1 1 135 135 VAL C C 13 178.33 0.001 . 1 . . . A 300 VAL C . 30021 1 568 . 1 1 135 135 VAL CA C 13 66.54 0.002 . 1 . . . A 300 VAL CA . 30021 1 569 . 1 1 135 135 VAL CB C 13 33.20 0.005 . 1 . . . A 300 VAL CB . 30021 1 570 . 1 1 135 135 VAL N N 15 117.29 0.010 . 1 . . . A 300 VAL N . 30021 1 571 . 1 1 136 136 THR H H 1 7.77 0.002 . 1 . . . A 301 THR H . 30021 1 572 . 1 1 136 136 THR C C 13 176.93 0.001 . 1 . . . A 301 THR C . 30021 1 573 . 1 1 136 136 THR CA C 13 66.18 0.002 . 1 . . . A 301 THR CA . 30021 1 574 . 1 1 136 136 THR CB C 13 71.76 0.005 . 1 . . . A 301 THR CB . 30021 1 575 . 1 1 136 136 THR N N 15 115.36 0.010 . 1 . . . A 301 THR N . 30021 1 576 . 1 1 137 137 GLU H H 1 7.94 0.002 . 1 . . . A 302 GLU H . 30021 1 577 . 1 1 137 137 GLU C C 13 179.17 0.001 . 1 . . . A 302 GLU C . 30021 1 578 . 1 1 137 137 GLU CA C 13 58.32 0.002 . 1 . . . A 302 GLU CA . 30021 1 579 . 1 1 137 137 GLU CB C 13 30.80 0.005 . 1 . . . A 302 GLU CB . 30021 1 580 . 1 1 137 137 GLU N N 15 121.87 0.010 . 1 . . . A 302 GLU N . 30021 1 581 . 1 1 138 138 VAL H H 1 8.22 0.002 . 1 . . . A 303 VAL H . 30021 1 582 . 1 1 138 138 VAL C C 13 177.62 0.001 . 1 . . . A 303 VAL C . 30021 1 583 . 1 1 138 138 VAL CA C 13 66.59 0.002 . 1 . . . A 303 VAL CA . 30021 1 584 . 1 1 138 138 VAL CB C 13 33.20 0.005 . 1 . . . A 303 VAL CB . 30021 1 585 . 1 1 138 138 VAL N N 15 120.22 0.010 . 1 . . . A 303 VAL N . 30021 1 586 . 1 1 139 139 ASP H H 1 8.16 0.002 . 1 . . . A 304 ASP H . 30021 1 587 . 1 1 139 139 ASP C C 13 178.74 0.001 . 1 . . . A 304 ASP C . 30021 1 588 . 1 1 139 139 ASP CA C 13 57.68 0.002 . 1 . . . A 304 ASP CA . 30021 1 589 . 1 1 139 139 ASP CB C 13 43.95 0.005 . 1 . . . A 304 ASP CB . 30021 1 590 . 1 1 139 139 ASP N N 15 121.14 0.010 . 1 . . . A 304 ASP N . 30021 1 591 . 1 1 140 140 GLU H H 1 7.95 0.002 . 1 . . . A 305 GLU H . 30021 1 592 . 1 1 140 140 GLU C C 13 179.85 0.001 . 1 . . . A 305 GLU C . 30021 1 593 . 1 1 140 140 GLU CA C 13 58.91 0.002 . 1 . . . A 305 GLU CA . 30021 1 594 . 1 1 140 140 GLU CB C 13 31.02 0.005 . 1 . . . A 305 GLU CB . 30021 1 595 . 1 1 140 140 GLU N N 15 119.58 0.010 . 1 . . . A 305 GLU N . 30021 1 596 . 1 1 141 141 LEU H H 1 8.02 0.002 . 1 . . . A 306 LEU H . 30021 1 597 . 1 1 141 141 LEU C C 13 179.14 0.001 . 1 . . . A 306 LEU C . 30021 1 598 . 1 1 141 141 LEU CA C 13 58.11 0.002 . 1 . . . A 306 LEU CA . 30021 1 599 . 1 1 141 141 LEU CB C 13 44.60 0.005 . 1 . . . A 306 LEU CB . 30021 1 600 . 1 1 141 141 LEU N N 15 121.60 0.010 . 1 . . . A 306 LEU N . 30021 1 601 . 1 1 142 142 ARG H H 1 8.44 0.002 . 1 . . . A 307 ARG H . 30021 1 602 . 1 1 142 142 ARG C C 13 178.99 0.001 . 1 . . . A 307 ARG C . 30021 1 603 . 1 1 142 142 ARG CA C 13 60.18 0.002 . 1 . . . A 307 ARG CA . 30021 1 604 . 1 1 142 142 ARG CB C 13 31.88 0.005 . 1 . . . A 307 ARG CB . 30021 1 605 . 1 1 142 142 ARG N N 15 119.40 0.010 . 1 . . . A 307 ARG N . 30021 1 606 . 1 1 143 143 ASN H H 1 8.07 0.002 . 1 . . . A 308 ASN H . 30021 1 607 . 1 1 143 143 ASN C C 13 178.33 0.001 . 1 . . . A 308 ASN C . 30021 1 608 . 1 1 143 143 ASN CA C 13 56.15 0.002 . 1 . . . A 308 ASN CA . 30021 1 609 . 1 1 143 143 ASN CB C 13 40.61 0.005 . 1 . . . A 308 ASN CB . 30021 1 610 . 1 1 143 143 ASN N N 15 118.39 0.010 . 1 . . . A 308 ASN N . 30021 1 611 . 1 1 144 144 GLN H H 1 8.19 0.002 . 1 . . . A 309 GLN H . 30021 1 612 . 1 1 144 144 GLN C C 13 178.92 0.001 . 1 . . . A 309 GLN C . 30021 1 613 . 1 1 144 144 GLN CA C 13 58.47 0.002 . 1 . . . A 309 GLN CA . 30021 1 614 . 1 1 144 144 GLN CB C 13 30.37 0.005 . 1 . . . A 309 GLN CB . 30021 1 615 . 1 1 144 144 GLN N N 15 120.59 0.010 . 1 . . . A 309 GLN N . 30021 1 616 . 1 1 145 145 LEU H H 1 8.13 0.002 . 1 . . . A 310 LEU H . 30021 1 617 . 1 1 145 145 LEU C C 13 178.95 0.001 . 1 . . . A 310 LEU C . 30021 1 618 . 1 1 145 145 LEU CA C 13 57.61 0.002 . 1 . . . A 310 LEU CA . 30021 1 619 . 1 1 145 145 LEU CB C 13 43.95 0.005 . 1 . . . A 310 LEU CB . 30021 1 620 . 1 1 145 145 LEU N N 15 119.67 0.010 . 1 . . . A 310 LEU N . 30021 1 621 . 1 1 146 146 LYS H H 1 7.76 0.002 . 1 . . . A 311 LYS H . 30021 1 622 . 1 1 146 146 LYS C C 13 178.88 0.001 . 1 . . . A 311 LYS C . 30021 1 623 . 1 1 146 146 LYS CA C 13 59.35 0.002 . 1 . . . A 311 LYS CA . 30021 1 624 . 1 1 146 146 LYS CB C 13 34.15 0.005 . 1 . . . A 311 LYS CB . 30021 1 625 . 1 1 146 146 LYS N N 15 118.39 0.010 . 1 . . . A 311 LYS N . 30021 1 626 . 1 1 147 147 ARG H H 1 7.55 0.002 . 1 . . . A 312 ARG H . 30021 1 627 . 1 1 147 147 ARG C C 13 178.08 0.001 . 1 . . . A 312 ARG C . 30021 1 628 . 1 1 147 147 ARG CA C 13 58.01 0.002 . 1 . . . A 312 ARG CA . 30021 1 629 . 1 1 147 147 ARG CB C 13 32.53 0.005 . 1 . . . A 312 ARG CB . 30021 1 630 . 1 1 147 147 ARG N N 15 118.02 0.010 . 1 . . . A 312 ARG N . 30021 1 631 . 1 1 148 148 LEU H H 1 7.57 0.002 . 1 . . . A 313 LEU H . 30021 1 632 . 1 1 148 148 LEU C C 13 177.43 0.001 . 1 . . . A 313 LEU C . 30021 1 633 . 1 1 148 148 LEU CA C 13 56.45 0.002 . 1 . . . A 313 LEU CA . 30021 1 634 . 1 1 148 148 LEU CB C 13 44.60 0.005 . 1 . . . A 313 LEU CB . 30021 1 635 . 1 1 148 148 LEU N N 15 118.66 0.010 . 1 . . . A 313 LEU N . 30021 1 636 . 1 1 149 149 ARG H H 1 7.53 0.002 . 1 . . . A 314 ARG H . 30021 1 637 . 1 1 149 149 ARG C C 13 176.28 0.001 . 1 . . . A 314 ARG C . 30021 1 638 . 1 1 149 149 ARG CA C 13 56.56 0.002 . 1 . . . A 314 ARG CA . 30021 1 639 . 1 1 149 149 ARG N N 15 116.37 0.010 . 1 . . . A 314 ARG N . 30021 1 640 . 1 1 150 150 ASP H H 1 7.89 0.002 . 1 . . . A 315 ASP H . 30021 1 641 . 1 1 150 150 ASP C C 13 175.10 0.001 . 1 . . . A 315 ASP C . 30021 1 642 . 1 1 150 150 ASP CA C 13 53.35 0.002 . 1 . . . A 315 ASP CA . 30021 1 643 . 1 1 150 150 ASP CB C 13 32.94 0.005 . 1 . . . A 315 ASP CB . 30021 1 644 . 1 1 150 150 ASP N N 15 120.96 0.010 . 1 . . . A 315 ASP N . 30021 1 645 . 1 1 151 151 PRO C C 13 177.76 0.001 . 1 . . . A 316 PRO C . 30021 1 646 . 1 1 151 151 PRO CA C 13 63.90 0.002 . 1 . . . A 316 PRO CA . 30021 1 647 . 1 1 151 151 PRO CB C 13 34.04 0.005 . 1 . . . A 316 PRO CB . 30021 1 648 . 1 1 152 152 LEU H H 1 8.09 0.002 . 1 . . . A 317 LEU H . 30021 1 649 . 1 1 152 152 LEU C C 13 177.87 0.001 . 1 . . . A 317 LEU C . 30021 1 650 . 1 1 152 152 LEU CA C 13 55.42 0.002 . 1 . . . A 317 LEU CA . 30021 1 651 . 1 1 152 152 LEU CB C 13 43.95 0.005 . 1 . . . A 317 LEU CB . 30021 1 652 . 1 1 152 152 LEU N N 15 120.13 0.010 . 1 . . . A 317 LEU N . 30021 1 653 . 1 1 153 153 GLU H H 1 7.91 0.002 . 1 . . . A 318 GLU H . 30021 1 654 . 1 1 153 153 GLU C C 13 176.81 0.001 . 1 . . . A 318 GLU C . 30021 1 655 . 1 1 153 153 GLU CA C 13 56.87 0.002 . 1 . . . A 318 GLU CA . 30021 1 656 . 1 1 153 153 GLU CB C 13 32.10 0.005 . 1 . . . A 318 GLU CB . 30021 1 657 . 1 1 153 153 GLU N N 15 120.59 0.010 . 1 . . . A 318 GLU N . 30021 1 stop_ save_