data_6713 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6713 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for PB1 domain of P40phox ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-30 _Entry.Accession_date 2005-06-30 _Entry.Last_release_date 2007-04-11 _Entry.Original_release_date 2007-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 Sylvie Chenavas . . . 6713 2 Jean-Pierre Simorre . . . 6713 3 Virginie Dubosclard . . . 6713 4 Eva Pebay-Peyroula . . . 6713 5 Pierre Gans . . . 6713 6 Bernhard Brutscher . . . 6713 7 Franck Fieschi . . . 6713 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . IBS . 6713 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6713 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 6713 '15N chemical shifts' 85 6713 '1H chemical shifts' 86 6713 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 . . 2007-04-11 2005-06-30 original author . 6713 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 6713 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR characterization of free and complexed p67phox and p40phox PB1 domains in solution ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 sylvie chenavas . . . 6713 1 2 jean-pierre simorre . . . 6713 1 3 virginie dubosclard . . . 6713 1 4 eva pebay-peyroula . . . 6713 1 5 pierre gans . . . 6713 1 6 bernhard brutscher . . . 6713 1 7 franck fieschi . . . 6713 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NADPH oxidase' 6713 1 'PB1 domains' 6713 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6713 _Assembly.ID 1 _Assembly.Name 'PB1 domain of p40phox' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 13000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Scaffolding domain' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6713 1 stop_ 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 'PB1 domain of p40phox' 1 $PB1_p40phox_polypeptide . . yes native no no . . . 6713 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Activation NADPH oxidase' 6713 1 'Signal transduction' 6713 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PB1_p40phox_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode PB1_p40phox_polypeptide _Entity.Entry_ID 6713 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PB1 p40' _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 ; PEEDDPTNWLRCYYYEDTIS TIKDIAVEEDLSSTPLLKDL LELTRREFQREDIALNYRDA EGDLVRLLSDEDVALMVRQA RGLPSQKRLFPWKLHITQKD NYRVYNTMP ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1OEY . "Heterodimer Of P40phox And P67phox Pb1 Domains From Human Nadph Oxidase" . . . . . 94.50 107 97.09 97.09 2.34e-64 . . . . 6713 1 2 no PDB 2DYB . "The Crystal Structure Of Human P40(Phox)" . . . . . 100.00 341 100.00 100.00 6.19e-71 . . . . 6713 1 3 no DBJ BAA89792 . "p40phox [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 4 no DBJ BAD97044 . "neutrophil cytosolic factor 4 (40kD) isoform 1 variant [Homo sapiens]" . . . . . 100.00 339 99.08 99.08 4.18e-70 . . . . 6713 1 5 no DBJ BAG72652 . "neutrophil cytosolic factor 4 [synthetic construct]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 6 no EMBL CAA54372 . "p40phox protein [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 7.19e-71 . . . . 6713 1 7 no EMBL CAG30414 . "NCF4 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 8 no EMBL CAG46875 . "NCF4 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 7.27e-71 . . . . 6713 1 9 no EMBL CAK54559 . "NCF4 [synthetic construct]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 10 no EMBL CAK54858 . "NCF4 [synthetic construct]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 11 no GB AAB39970 . "p40-phox [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 7.19e-71 . . . . 6713 1 12 no GB EAW60123 . "neutrophil cytosolic factor 4, 40kDa, isoform CRA_b [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 13 no REF NP_000622 . "neutrophil cytosol factor 4 isoform 1 [Homo sapiens]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 14 no REF XP_002831119 . "PREDICTED: neutrophil cytosol factor 4 [Pongo abelii]" . . . . . 100.00 339 98.17 98.17 4.85e-69 . . . . 6713 1 15 no REF XP_003821585 . "PREDICTED: neutrophil cytosol factor 4 isoform X2 [Pan paniscus]" . . . . . 100.00 339 99.08 100.00 2.44e-70 . . . . 6713 1 16 no REF XP_004063463 . "PREDICTED: neutrophil cytosol factor 4 [Gorilla gorilla gorilla]" . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 1 17 no REF XP_009436715 . "PREDICTED: neutrophil cytosol factor 4 [Pan troglodytes]" . . . . . 100.00 388 99.08 100.00 8.68e-70 . . . . 6713 1 18 no SP Q15080 . "RecName: Full=Neutrophil cytosol factor 4; Short=NCF-4; AltName: Full=Neutrophil NADPH oxidase factor 4; AltName: Full=SH3 and " . . . . . 100.00 339 100.00 100.00 6.81e-71 . . . . 6713 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 1 231 PRO . 6713 1 2 232 GLU . 6713 1 3 233 GLU . 6713 1 4 234 ASP . 6713 1 5 235 ASP . 6713 1 6 236 PRO . 6713 1 7 237 THR . 6713 1 8 238 ASN . 6713 1 9 239 TRP . 6713 1 10 240 LEU . 6713 1 11 241 ARG . 6713 1 12 242 CYS . 6713 1 13 243 TYR . 6713 1 14 244 TYR . 6713 1 15 245 TYR . 6713 1 16 246 GLU . 6713 1 17 247 ASP . 6713 1 18 248 THR . 6713 1 19 249 ILE . 6713 1 20 250 SER . 6713 1 21 251 THR . 6713 1 22 252 ILE . 6713 1 23 253 LYS . 6713 1 24 254 ASP . 6713 1 25 255 ILE . 6713 1 26 256 ALA . 6713 1 27 257 VAL . 6713 1 28 258 GLU . 6713 1 29 259 GLU . 6713 1 30 260 ASP . 6713 1 31 261 LEU . 6713 1 32 262 SER . 6713 1 33 263 SER . 6713 1 34 264 THR . 6713 1 35 265 PRO . 6713 1 36 266 LEU . 6713 1 37 267 LEU . 6713 1 38 268 LYS . 6713 1 39 269 ASP . 6713 1 40 270 LEU . 6713 1 41 271 LEU . 6713 1 42 272 GLU . 6713 1 43 273 LEU . 6713 1 44 274 THR . 6713 1 45 275 ARG . 6713 1 46 276 ARG . 6713 1 47 277 GLU . 6713 1 48 278 PHE . 6713 1 49 279 GLN . 6713 1 50 280 ARG . 6713 1 51 281 GLU . 6713 1 52 282 ASP . 6713 1 53 283 ILE . 6713 1 54 284 ALA . 6713 1 55 285 LEU . 6713 1 56 286 ASN . 6713 1 57 287 TYR . 6713 1 58 288 ARG . 6713 1 59 289 ASP . 6713 1 60 290 ALA . 6713 1 61 291 GLU . 6713 1 62 292 GLY . 6713 1 63 293 ASP . 6713 1 64 294 LEU . 6713 1 65 295 VAL . 6713 1 66 296 ARG . 6713 1 67 297 LEU . 6713 1 68 298 LEU . 6713 1 69 299 SER . 6713 1 70 300 ASP . 6713 1 71 301 GLU . 6713 1 72 302 ASP . 6713 1 73 303 VAL . 6713 1 74 304 ALA . 6713 1 75 305 LEU . 6713 1 76 306 MET . 6713 1 77 307 VAL . 6713 1 78 308 ARG . 6713 1 79 309 GLN . 6713 1 80 310 ALA . 6713 1 81 311 ARG . 6713 1 82 312 GLY . 6713 1 83 313 LEU . 6713 1 84 314 PRO . 6713 1 85 315 SER . 6713 1 86 316 GLN . 6713 1 87 317 LYS . 6713 1 88 318 ARG . 6713 1 89 319 LEU . 6713 1 90 320 PHE . 6713 1 91 321 PRO . 6713 1 92 322 TRP . 6713 1 93 323 LYS . 6713 1 94 324 LEU . 6713 1 95 325 HIS . 6713 1 96 326 ILE . 6713 1 97 327 THR . 6713 1 98 328 GLN . 6713 1 99 329 LYS . 6713 1 100 330 ASP . 6713 1 101 331 ASN . 6713 1 102 332 TYR . 6713 1 103 333 ARG . 6713 1 104 334 VAL . 6713 1 105 335 TYR . 6713 1 106 336 ASN . 6713 1 107 337 THR . 6713 1 108 338 MET . 6713 1 109 339 PRO . 6713 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 . PRO 1 1 6713 1 . GLU 2 2 6713 1 . GLU 3 3 6713 1 . ASP 4 4 6713 1 . ASP 5 5 6713 1 . PRO 6 6 6713 1 . THR 7 7 6713 1 . ASN 8 8 6713 1 . TRP 9 9 6713 1 . LEU 10 10 6713 1 . ARG 11 11 6713 1 . CYS 12 12 6713 1 . TYR 13 13 6713 1 . TYR 14 14 6713 1 . TYR 15 15 6713 1 . GLU 16 16 6713 1 . ASP 17 17 6713 1 . THR 18 18 6713 1 . ILE 19 19 6713 1 . SER 20 20 6713 1 . THR 21 21 6713 1 . ILE 22 22 6713 1 . LYS 23 23 6713 1 . ASP 24 24 6713 1 . ILE 25 25 6713 1 . ALA 26 26 6713 1 . VAL 27 27 6713 1 . GLU 28 28 6713 1 . GLU 29 29 6713 1 . ASP 30 30 6713 1 . LEU 31 31 6713 1 . SER 32 32 6713 1 . SER 33 33 6713 1 . THR 34 34 6713 1 . PRO 35 35 6713 1 . LEU 36 36 6713 1 . LEU 37 37 6713 1 . LYS 38 38 6713 1 . ASP 39 39 6713 1 . LEU 40 40 6713 1 . LEU 41 41 6713 1 . GLU 42 42 6713 1 . LEU 43 43 6713 1 . THR 44 44 6713 1 . ARG 45 45 6713 1 . ARG 46 46 6713 1 . GLU 47 47 6713 1 . PHE 48 48 6713 1 . GLN 49 49 6713 1 . ARG 50 50 6713 1 . GLU 51 51 6713 1 . ASP 52 52 6713 1 . ILE 53 53 6713 1 . ALA 54 54 6713 1 . LEU 55 55 6713 1 . ASN 56 56 6713 1 . TYR 57 57 6713 1 . ARG 58 58 6713 1 . ASP 59 59 6713 1 . ALA 60 60 6713 1 . GLU 61 61 6713 1 . GLY 62 62 6713 1 . ASP 63 63 6713 1 . LEU 64 64 6713 1 . VAL 65 65 6713 1 . ARG 66 66 6713 1 . LEU 67 67 6713 1 . LEU 68 68 6713 1 . SER 69 69 6713 1 . ASP 70 70 6713 1 . GLU 71 71 6713 1 . ASP 72 72 6713 1 . VAL 73 73 6713 1 . ALA 74 74 6713 1 . LEU 75 75 6713 1 . MET 76 76 6713 1 . VAL 77 77 6713 1 . ARG 78 78 6713 1 . GLN 79 79 6713 1 . ALA 80 80 6713 1 . ARG 81 81 6713 1 . GLY 82 82 6713 1 . LEU 83 83 6713 1 . PRO 84 84 6713 1 . SER 85 85 6713 1 . GLN 86 86 6713 1 . LYS 87 87 6713 1 . ARG 88 88 6713 1 . LEU 89 89 6713 1 . PHE 90 90 6713 1 . PRO 91 91 6713 1 . TRP 92 92 6713 1 . LYS 93 93 6713 1 . LEU 94 94 6713 1 . HIS 95 95 6713 1 . ILE 96 96 6713 1 . THR 97 97 6713 1 . GLN 98 98 6713 1 . LYS 99 99 6713 1 . ASP 100 100 6713 1 . ASN 101 101 6713 1 . TYR 102 102 6713 1 . ARG 103 103 6713 1 . VAL 104 104 6713 1 . TYR 105 105 6713 1 . ASN 106 106 6713 1 . THR 107 107 6713 1 . MET 108 108 6713 1 . PRO 109 109 6713 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 6713 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PB1_p40phox_polypeptide . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . lymphoid . . . . . . . . . . . . . . . . 6713 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 6713 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PB1_p40phox_polypeptide . 'recombinant technology' . 'E. coli' 'BL21(DE3) strain' . . . BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6713 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_PB1_p40 _Sample.Sf_category sample _Sample.Sf_framecode 15N_PB1_p40 _Sample.Entry_ID 6713 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PB1 p40' '[U-98% 15N]' . . 1 $PB1_p40phox_polypeptide . protein 0.3 . . mM . . . . 6713 1 2 HEPES . . . . . . buffer 50 . . mM . . . . 6713 1 3 NaCl . . . . . . salt 30 . . mM . . . . 6713 1 stop_ save_ save_15N_13C_PB1_p40 _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_PB1_p40 _Sample.Entry_ID 6713 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PB1 p40' '[U-98% 15N; U-97% 13C]' . . 1 $PB1_p40phox_polypeptide . protein 0.3 . . mM . . . . 6713 2 2 HEPES . . . . . . buffer 50 . . mM . . . . 6713 2 3 NaCl . . . . . . salt 30 . . mM . . . . 6713 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6713 _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 pH 7.5 0.1 pH 6713 1 temperature 298 0.3 K 6713 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6713 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6713 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6713 _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 3D-HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6713 1 2 3D-HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6713 1 3 3D-HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6713 1 4 3D-DEPT-CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6713 1 stop_ save_ save_3D-HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HNCA _NMR_spec_expt.Entry_ID 6713 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6713 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6713 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 6713 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6713 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6713 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 $15N_13C_PB1_p40 isotropic 6713 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 1 1 PRO C C 13 173.1 0.2 . 1 . . . . 231 PRO C . 6713 1 2 . 1 1 1 1 PRO CA C 13 62.7 0.2 . 1 . . . . 231 PRO CA . 6713 1 3 . 1 1 1 1 PRO CB C 13 33.9 0.2 . 1 . . . . 231 PRO CB . 6713 1 4 . 1 1 2 2 GLU H H 1 8.61 0.02 . 1 . . . . 232 GLU H . 6713 1 5 . 1 1 2 2 GLU C C 13 174.5 0.2 . 1 . . . . 232 GLU C . 6713 1 6 . 1 1 2 2 GLU CA C 13 57.1 0.2 . 1 . . . . 232 GLU CA . 6713 1 7 . 1 1 2 2 GLU CB C 13 30.3 0.2 . 1 . . . . 232 GLU CB . 6713 1 8 . 1 1 2 2 GLU N N 15 122.5 0.2 . 1 . . . . 232 GLU N . 6713 1 9 . 1 1 3 3 GLU H H 1 8.32 0.02 . 1 . . . . 233 GLU H . 6713 1 10 . 1 1 3 3 GLU C C 13 176 0.2 . 1 . . . . 233 GLU C . 6713 1 11 . 1 1 3 3 GLU CA C 13 56.6 0.2 . 1 . . . . 233 GLU CA . 6713 1 12 . 1 1 3 3 GLU CB C 13 31.1 0.2 . 1 . . . . 233 GLU CB . 6713 1 13 . 1 1 3 3 GLU N N 15 122.5 0.2 . 1 . . . . 233 GLU N . 6713 1 14 . 1 1 4 4 ASP H H 1 8.95 0.02 . 1 . . . . 234 ASP H . 6713 1 15 . 1 1 4 4 ASP C C 13 175 0.2 . 1 . . . . 234 ASP C . 6713 1 16 . 1 1 4 4 ASP CA C 13 56.3 0.2 . 1 . . . . 234 ASP CA . 6713 1 17 . 1 1 4 4 ASP CB C 13 40.1 0.2 . 1 . . . . 234 ASP CB . 6713 1 18 . 1 1 4 4 ASP N N 15 122.2 0.2 . 1 . . . . 234 ASP N . 6713 1 19 . 1 1 5 5 ASP H H 1 9.07 0.02 . 1 . . . . 235 ASP H . 6713 1 20 . 1 1 5 5 ASP N N 15 125.5 0.2 . 1 . . . . 235 ASP N . 6713 1 21 . 1 1 6 6 PRO C C 13 172.9 0.2 . 1 . . . . 236 PRO C . 6713 1 22 . 1 1 6 6 PRO CA C 13 63.2 0.2 . 1 . . . . 236 PRO CA . 6713 1 23 . 1 1 6 6 PRO CB C 13 31.8 0.2 . 1 . . . . 236 PRO CB . 6713 1 24 . 1 1 7 7 THR H H 1 7.69 0.02 . 1 . . . . 237 THR H . 6713 1 25 . 1 1 7 7 THR C C 13 176.2 0.2 . 1 . . . . 237 THR C . 6713 1 26 . 1 1 7 7 THR CA C 13 64.2 0.2 . 1 . . . . 237 THR CA . 6713 1 27 . 1 1 7 7 THR CB C 13 69.1 0.2 . 1 . . . . 237 THR CB . 6713 1 28 . 1 1 7 7 THR N N 15 117.7 0.2 . 1 . . . . 237 THR N . 6713 1 29 . 1 1 8 8 ASN H H 1 7.95 0.02 . 1 . . . . 238 ASN H . 6713 1 30 . 1 1 8 8 ASN C C 13 175.8 0.2 . 1 . . . . 238 ASN C . 6713 1 31 . 1 1 8 8 ASN CA C 13 52.2 0.2 . 1 . . . . 238 ASN CA . 6713 1 32 . 1 1 8 8 ASN CB C 13 41.2 0.2 . 1 . . . . 238 ASN CB . 6713 1 33 . 1 1 8 8 ASN N N 15 123.3 0.2 . 1 . . . . 238 ASN N . 6713 1 34 . 1 1 9 9 TRP H H 1 8.39 0.02 . 1 . . . . 239 TRP H . 6713 1 35 . 1 1 9 9 TRP C C 13 175.4 0.2 . 1 . . . . 239 TRP C . 6713 1 36 . 1 1 9 9 TRP CA C 13 56 0.2 . 1 . . . . 239 TRP CA . 6713 1 37 . 1 1 9 9 TRP CB C 13 32.1 0.2 . 1 . . . . 239 TRP CB . 6713 1 38 . 1 1 9 9 TRP N N 15 119.2 0.2 . 1 . . . . 239 TRP N . 6713 1 39 . 1 1 10 10 LEU H H 1 9.45 0.02 . 1 . . . . 240 LEU H . 6713 1 40 . 1 1 10 10 LEU C C 13 171 0.2 . 1 . . . . 240 LEU C . 6713 1 41 . 1 1 10 10 LEU CA C 13 53 0.2 . 1 . . . . 240 LEU CA . 6713 1 42 . 1 1 10 10 LEU CB C 13 45.2 0.2 . 1 . . . . 240 LEU CB . 6713 1 43 . 1 1 10 10 LEU N N 15 125.9 0.2 . 1 . . . . 240 LEU N . 6713 1 44 . 1 1 11 11 ARG H H 1 8.42 0.02 . 1 . . . . 241 ARG H . 6713 1 45 . 1 1 11 11 ARG CA C 13 58 0.2 . 1 . . . . 241 ARG CA . 6713 1 46 . 1 1 11 11 ARG CB C 13 37.4 0.2 . 1 . . . . 241 ARG CB . 6713 1 47 . 1 1 11 11 ARG N N 15 123.7 0.2 . 1 . . . . 241 ARG N . 6713 1 48 . 1 1 14 14 TYR C C 13 174.4 0.2 . 1 . . . . 244 TYR C . 6713 1 49 . 1 1 14 14 TYR CA C 13 56.4 0.2 . 1 . . . . 244 TYR CA . 6713 1 50 . 1 1 14 14 TYR CB C 13 40.9 0.2 . 1 . . . . 244 TYR CB . 6713 1 51 . 1 1 15 15 TYR H H 1 7.95 0.02 . 1 . . . . 245 TYR H . 6713 1 52 . 1 1 15 15 TYR C C 13 174 0.2 . 1 . . . . 245 TYR C . 6713 1 53 . 1 1 15 15 TYR CA C 13 57.4 0.2 . 1 . . . . 245 TYR CA . 6713 1 54 . 1 1 15 15 TYR CB C 13 38.9 0.2 . 1 . . . . 245 TYR CB . 6713 1 55 . 1 1 15 15 TYR N N 15 127.6 0.2 . 1 . . . . 245 TYR N . 6713 1 56 . 1 1 16 16 GLU H H 1 8.07 0.02 . 1 . . . . 246 GLU H . 6713 1 57 . 1 1 16 16 GLU C C 13 173.3 0.2 . 1 . . . . 246 GLU C . 6713 1 58 . 1 1 16 16 GLU CA C 13 55.9 0.2 . 1 . . . . 246 GLU CA . 6713 1 59 . 1 1 16 16 GLU CB C 13 30.8 0.2 . 1 . . . . 246 GLU CB . 6713 1 60 . 1 1 16 16 GLU N N 15 123.8 0.2 . 1 . . . . 246 GLU N . 6713 1 61 . 1 1 17 17 ASP H H 1 8.64 0.02 . 1 . . . . 247 ASP H . 6713 1 62 . 1 1 17 17 ASP C C 13 172.8 0.2 . 1 . . . . 247 ASP C . 6713 1 63 . 1 1 17 17 ASP CA C 13 56.9 0.2 . 1 . . . . 247 ASP CA . 6713 1 64 . 1 1 17 17 ASP CB C 13 40.4 0.2 . 1 . . . . 247 ASP CB . 6713 1 65 . 1 1 17 17 ASP N N 15 123.6 0.2 . 1 . . . . 247 ASP N . 6713 1 66 . 1 1 18 18 THR H H 1 7.8 0.02 . 1 . . . . 248 THR H . 6713 1 67 . 1 1 18 18 THR C C 13 174.8 0.2 . 1 . . . . 248 THR C . 6713 1 68 . 1 1 18 18 THR CA C 13 62.1 0.2 . 1 . . . . 248 THR CA . 6713 1 69 . 1 1 18 18 THR CB C 13 69.4 0.2 . 1 . . . . 248 THR CB . 6713 1 70 . 1 1 18 18 THR N N 15 110.1 0.2 . 1 . . . . 248 THR N . 6713 1 71 . 1 1 19 19 ILE H H 1 7.79 0.02 . 1 . . . . 249 ILE H . 6713 1 72 . 1 1 19 19 ILE C C 13 173.8 0.2 . 1 . . . . 249 ILE C . 6713 1 73 . 1 1 19 19 ILE CA C 13 60.5 0.2 . 1 . . . . 249 ILE CA . 6713 1 74 . 1 1 19 19 ILE CB C 13 39.6 0.2 . 1 . . . . 249 ILE CB . 6713 1 75 . 1 1 19 19 ILE N N 15 121.7 0.2 . 1 . . . . 249 ILE N . 6713 1 76 . 1 1 20 20 SER H H 1 8.27 0.02 . 1 . . . . 250 SER H . 6713 1 77 . 1 1 20 20 SER C C 13 174.8 0.2 . 1 . . . . 250 SER C . 6713 1 78 . 1 1 20 20 SER CA C 13 56.7 0.2 . 1 . . . . 250 SER CA . 6713 1 79 . 1 1 20 20 SER CB C 13 65.1 0.2 . 1 . . . . 250 SER CB . 6713 1 80 . 1 1 20 20 SER N N 15 120.2 0.2 . 1 . . . . 250 SER N . 6713 1 81 . 1 1 21 21 THR H H 1 8.4 0.02 . 1 . . . . 251 THR H . 6713 1 82 . 1 1 21 21 THR C C 13 176.2 0.2 . 1 . . . . 251 THR C . 6713 1 83 . 1 1 21 21 THR CA C 13 60.9 0.2 . 1 . . . . 251 THR CA . 6713 1 84 . 1 1 21 21 THR CB C 13 71.5 0.2 . 1 . . . . 251 THR CB . 6713 1 85 . 1 1 21 21 THR N N 15 116.9 0.2 . 1 . . . . 251 THR N . 6713 1 86 . 1 1 22 22 ILE H H 1 8.14 0.02 . 1 . . . . 252 ILE H . 6713 1 87 . 1 1 22 22 ILE C C 13 172.9 0.2 . 1 . . . . 252 ILE C . 6713 1 88 . 1 1 22 22 ILE CA C 13 61 0.2 . 1 . . . . 252 ILE CA . 6713 1 89 . 1 1 22 22 ILE CB C 13 39.9 0.2 . 1 . . . . 252 ILE CB . 6713 1 90 . 1 1 22 22 ILE N N 15 124 0.2 . 1 . . . . 252 ILE N . 6713 1 91 . 1 1 23 23 LYS H H 1 8.98 0.02 . 1 . . . . 253 LYS H . 6713 1 92 . 1 1 23 23 LYS C C 13 175.7 0.2 . 1 . . . . 253 LYS C . 6713 1 93 . 1 1 23 23 LYS CA C 13 55.5 0.2 . 1 . . . . 253 LYS CA . 6713 1 94 . 1 1 23 23 LYS CB C 13 36.1 0.2 . 1 . . . . 253 LYS CB . 6713 1 95 . 1 1 23 23 LYS N N 15 129.4 0.2 . 1 . . . . 253 LYS N . 6713 1 96 . 1 1 24 24 ASP H H 1 8.22 0.02 . 1 . . . . 254 ASP H . 6713 1 97 . 1 1 24 24 ASP C C 13 172.9 0.2 . 1 . . . . 254 ASP C . 6713 1 98 . 1 1 24 24 ASP CA C 13 53 0.2 . 1 . . . . 254 ASP CA . 6713 1 99 . 1 1 24 24 ASP CB C 13 40.9 0.2 . 1 . . . . 254 ASP CB . 6713 1 100 . 1 1 24 24 ASP N N 15 126.8 0.2 . 1 . . . . 254 ASP N . 6713 1 101 . 1 1 25 25 ILE H H 1 9.32 0.02 . 1 . . . . 255 ILE H . 6713 1 102 . 1 1 25 25 ILE C C 13 174.3 0.2 . 1 . . . . 255 ILE C . 6713 1 103 . 1 1 25 25 ILE CA C 13 60.3 0.2 . 1 . . . . 255 ILE CA . 6713 1 104 . 1 1 25 25 ILE CB C 13 40.9 0.2 . 1 . . . . 255 ILE CB . 6713 1 105 . 1 1 25 25 ILE N N 15 123.7 0.2 . 1 . . . . 255 ILE N . 6713 1 106 . 1 1 26 26 ALA H H 1 8.44 0.02 . 1 . . . . 256 ALA H . 6713 1 107 . 1 1 26 26 ALA C C 13 171.7 0.2 . 1 . . . . 256 ALA C . 6713 1 108 . 1 1 26 26 ALA CA C 13 52.1 0.2 . 1 . . . . 256 ALA CA . 6713 1 109 . 1 1 26 26 ALA CB C 13 18.4 0.2 . 1 . . . . 256 ALA CB . 6713 1 110 . 1 1 26 26 ALA N N 15 131 0.2 . 1 . . . . 256 ALA N . 6713 1 111 . 1 1 27 27 VAL H H 1 8.25 0.02 . 1 . . . . 257 VAL H . 6713 1 112 . 1 1 27 27 VAL C C 13 173.3 0.2 . 1 . . . . 257 VAL C . 6713 1 113 . 1 1 27 27 VAL CA C 13 60.9 0.2 . 1 . . . . 257 VAL CA . 6713 1 114 . 1 1 27 27 VAL CB C 13 35.1 0.2 . 1 . . . . 257 VAL CB . 6713 1 115 . 1 1 27 27 VAL N N 15 121.2 0.2 . 1 . . . . 257 VAL N . 6713 1 116 . 1 1 28 28 GLU H H 1 8.69 0.02 . 1 . . . . 258 GLU H . 6713 1 117 . 1 1 28 28 GLU C C 13 172.8 0.2 . 1 . . . . 258 GLU C . 6713 1 118 . 1 1 28 28 GLU CA C 13 55.8 0.2 . 1 . . . . 258 GLU CA . 6713 1 119 . 1 1 28 28 GLU CB C 13 29 0.2 . 1 . . . . 258 GLU CB . 6713 1 120 . 1 1 28 28 GLU N N 15 127.2 0.2 . 1 . . . . 258 GLU N . 6713 1 121 . 1 1 29 29 GLU H H 1 7.53 0.02 . 1 . . . . 259 GLU H . 6713 1 122 . 1 1 29 29 GLU C C 13 174 0.2 . 1 . . . . 259 GLU C . 6713 1 123 . 1 1 29 29 GLU CA C 13 55.8 0.2 . 1 . . . . 259 GLU CA . 6713 1 124 . 1 1 29 29 GLU CB C 13 32.1 0.2 . 1 . . . . 259 GLU CB . 6713 1 125 . 1 1 29 29 GLU N N 15 119.4 0.2 . 1 . . . . 259 GLU N . 6713 1 126 . 1 1 30 30 ASP H H 1 8.47 0.02 . 1 . . . . 260 ASP H . 6713 1 127 . 1 1 30 30 ASP C C 13 171.7 0.2 . 1 . . . . 260 ASP C . 6713 1 128 . 1 1 30 30 ASP CA C 13 54.6 0.2 . 1 . . . . 260 ASP CA . 6713 1 129 . 1 1 30 30 ASP CB C 13 42.4 0.2 . 1 . . . . 260 ASP CB . 6713 1 130 . 1 1 30 30 ASP N N 15 119.6 0.2 . 1 . . . . 260 ASP N . 6713 1 131 . 1 1 31 31 LEU H H 1 8.01 0.02 . 1 . . . . 261 LEU H . 6713 1 132 . 1 1 31 31 LEU C C 13 170.9 0.2 . 1 . . . . 261 LEU C . 6713 1 133 . 1 1 31 31 LEU CA C 13 56.7 0.2 . 1 . . . . 261 LEU CA . 6713 1 134 . 1 1 31 31 LEU CB C 13 42.4 0.2 . 1 . . . . 261 LEU CB . 6713 1 135 . 1 1 31 31 LEU N N 15 123.7 0.2 . 1 . . . . 261 LEU N . 6713 1 136 . 1 1 32 32 SER H H 1 8.36 0.02 . 1 . . . . 262 SER H . 6713 1 137 . 1 1 32 32 SER C C 13 174.1 0.2 . 1 . . . . 262 SER C . 6713 1 138 . 1 1 32 32 SER CA C 13 58.8 0.2 . 1 . . . . 262 SER CA . 6713 1 139 . 1 1 32 32 SER CB C 13 63.8 0.2 . 1 . . . . 262 SER CB . 6713 1 140 . 1 1 32 32 SER N N 15 113.4 0.2 . 1 . . . . 262 SER N . 6713 1 141 . 1 1 33 33 SER H H 1 7.85 0.02 . 1 . . . . 263 SER H . 6713 1 142 . 1 1 33 33 SER C C 13 175 0.2 . 1 . . . . 263 SER C . 6713 1 143 . 1 1 33 33 SER CA C 13 59.3 0.2 . 1 . . . . 263 SER CA . 6713 1 144 . 1 1 33 33 SER CB C 13 64.6 0.2 . 1 . . . . 263 SER CB . 6713 1 145 . 1 1 33 33 SER N N 15 117.9 0.2 . 1 . . . . 263 SER N . 6713 1 146 . 1 1 34 34 THR H H 1 8.3 0.02 . 1 . . . . 264 THR H . 6713 1 147 . 1 1 34 34 THR CA C 13 59.5 0.2 . 1 . . . . 264 THR CA . 6713 1 148 . 1 1 34 34 THR CB C 13 69.4 0.2 . 1 . . . . 264 THR CB . 6713 1 149 . 1 1 34 34 THR N N 15 118 0.2 . 1 . . . . 264 THR N . 6713 1 150 . 1 1 35 35 PRO C C 13 174 0.2 . 1 . . . . 265 PRO C . 6713 1 151 . 1 1 35 35 PRO CA C 13 61.9 0.2 . 1 . . . . 265 PRO CA . 6713 1 152 . 1 1 35 35 PRO CB C 13 32.3 0.2 . 1 . . . . 265 PRO CB . 6713 1 153 . 1 1 36 36 LEU H H 1 8.4 0.02 . 1 . . . . 266 LEU H . 6713 1 154 . 1 1 36 36 LEU C C 13 169.8 0.2 . 1 . . . . 266 LEU C . 6713 1 155 . 1 1 36 36 LEU CA C 13 53.6 0.2 . 1 . . . . 266 LEU CA . 6713 1 156 . 1 1 36 36 LEU CB C 13 41.9 0.2 . 1 . . . . 266 LEU CB . 6713 1 157 . 1 1 36 36 LEU N N 15 118.4 0.2 . 1 . . . . 266 LEU N . 6713 1 158 . 1 1 37 37 LEU H H 1 9.35 0.02 . 1 . . . . 267 LEU H . 6713 1 159 . 1 1 37 37 LEU C C 13 169.9 0.2 . 1 . . . . 267 LEU C . 6713 1 160 . 1 1 37 37 LEU CB C 13 40.4 0.2 . 1 . . . . 267 LEU C . 6713 1 161 . 1 1 37 37 LEU N N 15 125.1 0.2 . 1 . . . . 267 LEU N . 6713 1 162 . 1 1 38 38 LYS H H 1 9.14 0.02 . 1 . . . . 268 LYS H . 6713 1 163 . 1 1 38 38 LYS C C 13 170.7 0.2 . 1 . . . . 268 LYS C . 6713 1 164 . 1 1 38 38 LYS CA C 13 59.4 0.2 . 1 . . . . 268 LYS CA . 6713 1 165 . 1 1 38 38 LYS CB C 13 31.8 0.2 . 1 . . . . 268 LYS CB . 6713 1 166 . 1 1 38 38 LYS N N 15 116.1 0.2 . 1 . . . . 268 LYS N . 6713 1 167 . 1 1 39 39 ASP H H 1 6.66 0.02 . 1 . . . . 269 ASP H . 6713 1 168 . 1 1 39 39 ASP C C 13 169.9 0.2 . 1 . . . . 269 ASP C . 6713 1 169 . 1 1 39 39 ASP CA C 13 57.1 0.2 . 1 . . . . 269 ASP CA . 6713 1 170 . 1 1 39 39 ASP CB C 13 40.4 0.2 . 1 . . . . 269 ASP CB . 6713 1 171 . 1 1 39 39 ASP N N 15 119.1 0.2 . 1 . . . . 269 ASP N . 6713 1 172 . 1 1 40 40 LEU H H 1 7.62 0.02 . 1 . . . . 270 LEU H . 6713 1 173 . 1 1 40 40 LEU C C 13 168.6 0.2 . 1 . . . . 270 LEU C . 6713 1 174 . 1 1 40 40 LEU CA C 13 57.4 0.2 . 1 . . . . 270 LEU CA . 6713 1 175 . 1 1 40 40 LEU CB C 13 42.2 0.2 . 1 . . . . 270 LEU CB . 6713 1 176 . 1 1 40 40 LEU N N 15 120.2 0.2 . 1 . . . . 270 LEU N . 6713 1 177 . 1 1 41 41 LEU H H 1 8.7 0.02 . 1 . . . . 271 LEU H . 6713 1 178 . 1 1 41 41 LEU C C 13 170.9 0.2 . 1 . . . . 271 LEU C . 6713 1 179 . 1 1 41 41 LEU CA C 13 58 0.2 . 1 . . . . 271 LEU CA . 6713 1 180 . 1 1 41 41 LEU CB C 13 41.9 0.2 . 1 . . . . 271 LEU CB . 6713 1 181 . 1 1 41 41 LEU N N 15 122.4 0.2 . 1 . . . . 271 LEU N . 6713 1 182 . 1 1 42 42 GLU H H 1 7.73 0.02 . 1 . . . . 272 GLU H . 6713 1 183 . 1 1 42 42 GLU C C 13 169.8 0.2 . 1 . . . . 272 GLU C . 6713 1 184 . 1 1 42 42 GLU CA C 13 59.8 0.2 . 1 . . . . 272 GLU CA . 6713 1 185 . 1 1 42 42 GLU CB C 13 29.3 0.2 . 1 . . . . 272 GLU CB . 6713 1 186 . 1 1 42 42 GLU N N 15 118.7 0.2 . 1 . . . . 272 GLU N . 6713 1 187 . 1 1 43 43 LEU H H 1 7.75 0.02 . 1 . . . . 273 LEU H . 6713 1 188 . 1 1 43 43 LEU C C 13 170 0.2 . 1 . . . . 273 LEU C . 6713 1 189 . 1 1 43 43 LEU CA C 13 58.3 0.2 . 1 . . . . 273 LEU CA . 6713 1 190 . 1 1 43 43 LEU CB C 13 43.2 0.2 . 1 . . . . 273 LEU CB . 6713 1 191 . 1 1 43 43 LEU N N 15 118.6 0.2 . 1 . . . . 273 LEU N . 6713 1 192 . 1 1 44 44 THR H H 1 7.89 0.02 . 1 . . . . 274 THR H . 6713 1 193 . 1 1 44 44 THR C C 13 171.5 0.2 . 1 . . . . 274 THR C . 6713 1 194 . 1 1 44 44 THR CA C 13 66 0.2 . 1 . . . . 274 THR CA . 6713 1 195 . 1 1 44 44 THR CB C 13 68.9 0.2 . 1 . . . . 274 THR CB . 6713 1 196 . 1 1 44 44 THR N N 15 109 0.2 . 1 . . . . 274 THR N . 6713 1 197 . 1 1 45 45 ARG H H 1 8.48 0.02 . 1 . . . . 275 ARG H . 6713 1 198 . 1 1 45 45 ARG C C 13 169 0.2 . 1 . . . . 275 ARG C . 6713 1 199 . 1 1 45 45 ARG CA C 13 60 0.2 . 1 . . . . 275 ARG CA . 6713 1 200 . 1 1 45 45 ARG CB C 13 30.5 0.2 . 1 . . . . 275 ARG CB . 6713 1 201 . 1 1 45 45 ARG N N 15 123.6 0.2 . 1 . . . . 275 ARG N . 6713 1 202 . 1 1 46 46 ARG H H 1 7.46 0.02 . 1 . . . . 276 ARG H . 6713 1 203 . 1 1 46 46 ARG C C 13 169.7 0.2 . 1 . . . . 276 ARG C . 6713 1 204 . 1 1 46 46 ARG CA C 13 59.2 0.2 . 1 . . . . 276 ARG CA . 6713 1 205 . 1 1 46 46 ARG CB C 13 30.3 0.2 . 1 . . . . 276 ARG CB . 6713 1 206 . 1 1 46 46 ARG N N 15 117.6 0.2 . 1 . . . . 276 ARG N . 6713 1 207 . 1 1 47 47 GLU H H 1 7.85 0.02 . 1 . . . . 277 GLU H . 6713 1 208 . 1 1 47 47 GLU C C 13 170.9 0.2 . 1 . . . . 277 GLU C . 6713 1 209 . 1 1 47 47 GLU CA C 13 58.6 0.2 . 1 . . . . 277 GLU CA . 6713 1 210 . 1 1 47 47 GLU CB C 13 29.8 0.2 . 1 . . . . 277 GLU CB . 6713 1 211 . 1 1 47 47 GLU N N 15 117.9 0.2 . 1 . . . . 277 GLU N . 6713 1 212 . 1 1 48 48 PHE H H 1 8.23 0.02 . 1 . . . . 278 PHE H . 6713 1 213 . 1 1 48 48 PHE C C 13 174.7 0.2 . 1 . . . . 278 PHE C . 6713 1 214 . 1 1 48 48 PHE CA C 13 59.3 0.2 . 1 . . . . 278 PHE CA . 6713 1 215 . 1 1 48 48 PHE CB C 13 37.6 0.2 . 1 . . . . 278 PHE CB . 6713 1 216 . 1 1 48 48 PHE N N 15 113.6 0.2 . 1 . . . . 278 PHE N . 6713 1 217 . 1 1 49 49 GLN H H 1 7.54 0.02 . 1 . . . . 279 GLN H . 6713 1 218 . 1 1 49 49 GLN C C 13 174.4 0.2 . 1 . . . . 279 GLN C . 6713 1 219 . 1 1 49 49 GLN CA C 13 56.6 0.2 . 1 . . . . 279 GLN CA . 6713 1 220 . 1 1 49 49 GLN CB C 13 26 0.2 . 1 . . . . 279 GLN CB . 6713 1 221 . 1 1 49 49 GLN N N 15 115.9 0.2 . 1 . . . . 279 GLN N . 6713 1 222 . 1 1 50 50 ARG H H 1 7.46 0.02 . 1 . . . . 280 ARG H . 6713 1 223 . 1 1 50 50 ARG C C 13 174.7 0.2 . 1 . . . . 280 ARG C . 6713 1 224 . 1 1 50 50 ARG CA C 13 55 0.2 . 1 . . . . 280 ARG CA . 6713 1 225 . 1 1 50 50 ARG CB C 13 33.8 0.2 . 1 . . . . 280 ARG CB . 6713 1 226 . 1 1 50 50 ARG N N 15 114.7 0.2 . 1 . . . . 280 ARG N . 6713 1 227 . 1 1 51 51 GLU H H 1 8.51 0.02 . 1 . . . . 281 GLU H . 6713 1 228 . 1 1 51 51 GLU C C 13 171 0.2 . 1 . . . . 281 GLU C . 6713 1 229 . 1 1 51 51 GLU CA C 13 56.7 0.2 . 1 . . . . 281 GLU CA . 6713 1 230 . 1 1 51 51 GLU CB C 13 31.1 0.2 . 1 . . . . 281 GLU CB . 6713 1 231 . 1 1 51 51 GLU N N 15 117.3 0.2 . 1 . . . . 281 GLU N . 6713 1 232 . 1 1 52 52 ASP H H 1 9.18 0.02 . 1 . . . . 282 ASP H . 6713 1 233 . 1 1 52 52 ASP C C 13 173.3 0.2 . 1 . . . . 282 ASP C . 6713 1 234 . 1 1 52 52 ASP CA C 13 53.6 0.2 . 1 . . . . 282 ASP CA . 6713 1 235 . 1 1 52 52 ASP CB C 13 38.4 0.2 . 1 . . . . 282 ASP CB . 6713 1 236 . 1 1 52 52 ASP N N 15 121.2 0.2 . 1 . . . . 282 ASP N . 6713 1 237 . 1 1 53 53 ILE H H 1 7.18 0.02 . 1 . . . . 283 ILE H . 6713 1 238 . 1 1 53 53 ILE C C 13 174.7 0.2 . 1 . . . . 283 ILE C . 6713 1 239 . 1 1 53 53 ILE CA C 13 59.4 0.2 . 1 . . . . 283 ILE CA . 6713 1 240 . 1 1 53 53 ILE CB C 13 41.6 0.2 . 1 . . . . 283 ILE CB . 6713 1 241 . 1 1 53 53 ILE N N 15 112.2 0.2 . 1 . . . . 283 ILE N . 6713 1 242 . 1 1 54 54 ALA H H 1 9 0.02 . 1 . . . . 284 ALA H . 6713 1 243 . 1 1 54 54 ALA C C 13 174.2 0.2 . 1 . . . . 284 ALA C . 6713 1 244 . 1 1 54 54 ALA CA C 13 50.4 0.2 . 1 . . . . 284 ALA CA . 6713 1 245 . 1 1 54 54 ALA CB C 13 21.2 0.2 . 1 . . . . 284 ALA CB . 6713 1 246 . 1 1 54 54 ALA N N 15 124.3 0.2 . 1 . . . . 284 ALA N . 6713 1 247 . 1 1 55 55 LEU H H 1 8.74 0.02 . 1 . . . . 285 LEU H . 6713 1 248 . 1 1 55 55 LEU C C 13 173.4 0.2 . 1 . . . . 285 LEU C . 6713 1 249 . 1 1 55 55 LEU CA C 13 54.2 0.2 . 1 . . . . 285 LEU CA . 6713 1 250 . 1 1 55 55 LEU CB C 13 44.1 0.2 . 1 . . . . 285 LEU CB . 6713 1 251 . 1 1 55 55 LEU N N 15 119.2 0.2 . 1 . . . . 285 LEU N . 6713 1 252 . 1 1 56 56 ASN H H 1 7.97 0.02 . 1 . . . . 286 ASN H . 6713 1 253 . 1 1 56 56 ASN C C 13 176.1 0.2 . 1 . . . . 286 ASN C . 6713 1 254 . 1 1 56 56 ASN CA C 13 51.7 0.2 . 1 . . . . 286 ASN CA . 6713 1 255 . 1 1 56 56 ASN CB C 13 44.4 0.2 . 1 . . . . 286 ASN CB . 6713 1 256 . 1 1 56 56 ASN N N 15 118.1 0.2 . 1 . . . . 286 ASN N . 6713 1 257 . 1 1 57 57 TYR H H 1 9.07 0.02 . 1 . . . . 287 TYR H . 6713 1 258 . 1 1 57 57 TYR C C 13 176.9 0.2 . 1 . . . . 287 TYR C . 6713 1 259 . 1 1 57 57 TYR CA C 13 55.9 0.2 . 1 . . . . 287 TYR CA . 6713 1 260 . 1 1 57 57 TYR CB C 13 41.1 0.2 . 1 . . . . 287 TYR CB . 6713 1 261 . 1 1 57 57 TYR N N 15 118.4 0.2 . 1 . . . . 287 TYR N . 6713 1 262 . 1 1 58 58 ARG H H 1 8.83 0.02 . 1 . . . . 288 ARG H . 6713 1 263 . 1 1 58 58 ARG C C 13 172.9 0.2 . 1 . . . . 288 ARG C . 6713 1 264 . 1 1 58 58 ARG CA C 13 54.3 0.2 . 1 . . . . 288 ARG CA . 6713 1 265 . 1 1 58 58 ARG CB C 13 31.1 0.2 . 1 . . . . 288 ARG CB . 6713 1 266 . 1 1 58 58 ARG N N 15 121 0.2 . 1 . . . . 288 ARG N . 6713 1 267 . 1 1 59 59 ASP H H 1 8.61 0.02 . 1 . . . . 289 ASP H . 6713 1 268 . 1 1 59 59 ASP C C 13 171.4 0.2 . 1 . . . . 289 ASP C . 6713 1 269 . 1 1 59 59 ASP CA C 13 52.8 0.2 . 1 . . . . 289 ASP CA . 6713 1 270 . 1 1 59 59 ASP CB C 13 41.2 0.2 . 1 . . . . 289 ASP CB . 6713 1 271 . 1 1 59 59 ASP N N 15 127 0.2 . 1 . . . . 289 ASP N . 6713 1 272 . 1 1 60 60 ALA H H 1 8.09 0.02 . 1 . . . . 290 ALA H . 6713 1 273 . 1 1 60 60 ALA C C 13 169.8 0.2 . 1 . . . . 290 ALA C . 6713 1 274 . 1 1 60 60 ALA CA C 13 54.7 0.2 . 1 . . . . 290 ALA CA . 6713 1 275 . 1 1 60 60 ALA CB C 13 18.7 0.2 . 1 . . . . 290 ALA CB . 6713 1 276 . 1 1 60 60 ALA N N 15 120.4 0.2 . 1 . . . . 290 ALA N . 6713 1 277 . 1 1 61 61 GLU H H 1 7.76 0.02 . 1 . . . . 291 GLU H . 6713 1 278 . 1 1 61 61 GLU C C 13 172.1 0.2 . 1 . . . . 291 GLU C . 6713 1 279 . 1 1 61 61 GLU CA C 13 55.8 0.2 . 1 . . . . 291 GLU CA . 6713 1 280 . 1 1 61 61 GLU CB C 13 29.5 0.2 . 1 . . . . 291 GLU CB . 6713 1 281 . 1 1 61 61 GLU N N 15 115.6 0.2 . 1 . . . . 291 GLU N . 6713 1 282 . 1 1 62 62 GLY H H 1 7.92 0.02 . 1 . . . . 292 GLY H . 6713 1 283 . 1 1 62 62 GLY C C 13 174.9 0.2 . 1 . . . . 292 GLY C . 6713 1 284 . 1 1 62 62 GLY CA C 13 44.9 0.2 . 1 . . . . 292 GLY CA . 6713 1 285 . 1 1 62 62 GLY N N 15 107.7 0.2 . 1 . . . . 292 GLY N . 6713 1 286 . 1 1 63 63 ASP C C 13 174 0.2 . 1 . . . . 293 ASP C . 6713 1 287 . 1 1 63 63 ASP CA C 13 54 0.2 . 1 . . . . 293 ASP CA . 6713 1 288 . 1 1 63 63 ASP CB C 13 41.4 0.2 . 1 . . . . 293 ASP CB . 6713 1 289 . 1 1 64 64 LEU C C 13 172.6 0.2 . 1 . . . . 294 LEU C . 6713 1 290 . 1 1 64 64 LEU CA C 13 54.5 0.2 . 1 . . . . 294 LEU CA . 6713 1 291 . 1 1 64 64 LEU CB C 13 42.4 0.2 . 1 . . . . 294 LEU CB . 6713 1 292 . 1 1 65 65 VAL H H 1 8.84 0.02 . 1 . . . . 295 VAL H . 6713 1 293 . 1 1 65 65 VAL C C 13 174.1 0.2 . 1 . . . . 295 VAL C . 6713 1 294 . 1 1 65 65 VAL CA C 13 61.4 0.2 . 1 . . . . 295 VAL CA . 6713 1 295 . 1 1 65 65 VAL CB C 13 33.3 0.2 . 1 . . . . 295 VAL CB . 6713 1 296 . 1 1 65 65 VAL N N 15 126.7 0.2 . 1 . . . . 295 VAL N . 6713 1 297 . 1 1 66 66 ARG H H 1 8.22 0.02 . 1 . . . . 296 ARG H . 6713 1 298 . 1 1 66 66 ARG C C 13 172.6 0.2 . 1 . . . . 296 ARG C . 6713 1 299 . 1 1 66 66 ARG CA C 13 56.3 0.2 . 1 . . . . 296 ARG CA . 6713 1 300 . 1 1 66 66 ARG CB C 13 31.1 0.2 . 1 . . . . 296 ARG CB . 6713 1 301 . 1 1 66 66 ARG N N 15 126.3 0.2 . 1 . . . . 296 ARG N . 6713 1 302 . 1 1 67 67 LEU H H 1 8.34 0.02 . 1 . . . . 297 LEU H . 6713 1 303 . 1 1 67 67 LEU C C 13 173.9 0.2 . 1 . . . . 297 LEU C . 6713 1 304 . 1 1 67 67 LEU CA C 13 53.9 0.2 . 1 . . . . 297 LEU CA . 6713 1 305 . 1 1 67 67 LEU CB C 13 42.7 0.2 . 1 . . . . 297 LEU CB . 6713 1 306 . 1 1 67 67 LEU N N 15 123.5 0.2 . 1 . . . . 297 LEU N . 6713 1 307 . 1 1 68 68 LEU H H 1 9.01 0.02 . 1 . . . . 298 LEU H . 6713 1 308 . 1 1 68 68 LEU C C 13 171.9 0.2 . 1 . . . . 298 LEU C . 6713 1 309 . 1 1 68 68 LEU CA C 13 54.6 0.2 . 1 . . . . 298 LEU CA . 6713 1 310 . 1 1 68 68 LEU CB C 13 43.9 0.2 . 1 . . . . 298 LEU CB . 6713 1 311 . 1 1 68 68 LEU N N 15 123.5 0.2 . 1 . . . . 298 LEU N . 6713 1 312 . 1 1 69 69 SER H H 1 8.07 0.02 . 1 . . . . 299 SER H . 6713 1 313 . 1 1 69 69 SER CA C 13 56.4 0.2 . 1 . . . . 299 SER CA . 6713 1 314 . 1 1 69 69 SER CB C 13 67.6 0.2 . 1 . . . . 299 SER CB . 6713 1 315 . 1 1 69 69 SER N N 15 114.8 0.2 . 1 . . . . 299 SER N . 6713 1 316 . 1 1 70 70 ASP CA C 13 58.6 0.2 . 1 . . . . 300 ASP CA . 6713 1 317 . 1 1 70 70 ASP CB C 13 40.7 0.2 . 1 . . . . 300 ASP CB . 6713 1 318 . 1 1 71 71 GLU H H 1 8.46 0.02 . 1 . . . . 301 GLU H . 6713 1 319 . 1 1 71 71 GLU C C 13 170 0.2 . 1 . . . . 301 GLU C . 6713 1 320 . 1 1 71 71 GLU CA C 13 59.9 0.2 . 1 . . . . 301 GLU CA . 6713 1 321 . 1 1 71 71 GLU CB C 13 28.8 0.2 . 1 . . . . 301 GLU CB . 6713 1 322 . 1 1 71 71 GLU N N 15 122 0.2 . 1 . . . . 301 GLU N . 6713 1 323 . 1 1 72 72 ASP H H 1 7.58 0.02 . 1 . . . . 302 ASP H . 6713 1 324 . 1 1 72 72 ASP C C 13 170.8 0.2 . 1 . . . . 302 ASP C . 6713 1 325 . 1 1 72 72 ASP CA C 13 57.4 0.2 . 1 . . . . 302 ASP CA . 6713 1 326 . 1 1 72 72 ASP CB C 13 41.9 0.2 . 1 . . . . 302 ASP CB . 6713 1 327 . 1 1 72 72 ASP N N 15 120.7 0.2 . 1 . . . . 302 ASP N . 6713 1 328 . 1 1 73 73 VAL H H 1 7.16 0.02 . 1 . . . . 303 VAL H . 6713 1 329 . 1 1 73 73 VAL C C 13 172.3 0.2 . 1 . . . . 303 VAL C . 6713 1 330 . 1 1 73 73 VAL CA C 13 65.8 0.2 . 1 . . . . 303 VAL CA . 6713 1 331 . 1 1 73 73 VAL CB C 13 31.5 0.2 . 1 . . . . 303 VAL CB . 6713 1 332 . 1 1 73 73 VAL N N 15 119.1 0.2 . 1 . . . . 303 VAL N . 6713 1 333 . 1 1 74 74 ALA H H 1 7.68 0.02 . 1 . . . . 304 ALA H . 6713 1 334 . 1 1 74 74 ALA C C 13 169 0.2 . 1 . . . . 304 ALA C . 6713 1 335 . 1 1 74 74 ALA CA C 13 55.3 0.2 . 1 . . . . 304 ALA CA . 6713 1 336 . 1 1 74 74 ALA CB C 13 17.4 0.2 . 1 . . . . 304 ALA CB . 6713 1 337 . 1 1 74 74 ALA N N 15 120.4 0.2 . 1 . . . . 304 ALA N . 6713 1 338 . 1 1 75 75 LEU H H 1 7.5 0.02 . 1 . . . . 305 LEU H . 6713 1 339 . 1 1 75 75 LEU C C 13 171.1 0.2 . 1 . . . . 305 LEU C . 6713 1 340 . 1 1 75 75 LEU CA C 13 58.1 0.2 . 1 . . . . 305 LEU CA . 6713 1 341 . 1 1 75 75 LEU CB C 13 41.2 0.2 . 1 . . . . 305 LEU CB . 6713 1 342 . 1 1 75 75 LEU N N 15 120.2 0.2 . 1 . . . . 305 LEU N . 6713 1 343 . 1 1 76 76 MET H H 1 7.32 0.02 . 1 . . . . 306 MET H . 6713 1 344 . 1 1 76 76 MET C C 13 170.1 0.2 . 1 . . . . 306 MET C . 6713 1 345 . 1 1 76 76 MET CA C 13 59.1 0.2 . 1 . . . . 306 MET CA . 6713 1 346 . 1 1 76 76 MET CB C 13 31 0.2 . 1 . . . . 306 MET CB . 6713 1 347 . 1 1 76 76 MET N N 15 120.4 0.2 . 1 . . . . 306 MET N . 6713 1 348 . 1 1 77 77 VAL H H 1 7.76 0.02 . 1 . . . . 307 VAL H . 6713 1 349 . 1 1 77 77 VAL C C 13 170.3 0.2 . 1 . . . . 307 VAL C . 6713 1 350 . 1 1 77 77 VAL CB C 13 31.5 0.2 . 1 . . . . 307 VAL C . 6713 1 351 . 1 1 77 77 VAL N N 15 117.9 0.2 . 1 . . . . 307 VAL N . 6713 1 352 . 1 1 78 78 ARG H H 1 7.95 0.02 . 1 . . . . 308 ARG H . 6713 1 353 . 1 1 78 78 ARG C C 13 169.5 0.2 . 1 . . . . 308 ARG C . 6713 1 354 . 1 1 78 78 ARG CA C 13 59.6 0.2 . 1 . . . . 308 ARG CA . 6713 1 355 . 1 1 78 78 ARG CB C 13 30.3 0.2 . 1 . . . . 308 ARG CB . 6713 1 356 . 1 1 78 78 ARG N N 15 119.8 0.2 . 1 . . . . 308 ARG N . 6713 1 357 . 1 1 79 79 GLN H H 1 8.06 0.02 . 1 . . . . 309 GLN H . 6713 1 358 . 1 1 79 79 GLN C C 13 172.1 0.2 . 1 . . . . 309 GLN C . 6713 1 359 . 1 1 79 79 GLN CA C 13 57.5 0.2 . 1 . . . . 309 GLN CA . 6713 1 360 . 1 1 79 79 GLN CB C 13 28.8 0.2 . 1 . . . . 309 GLN CB . 6713 1 361 . 1 1 79 79 GLN N N 15 116.3 0.2 . 1 . . . . 309 GLN N . 6713 1 362 . 1 1 80 80 ALA H H 1 7.34 0.02 . 1 . . . . 310 ALA H . 6713 1 363 . 1 1 80 80 ALA CA C 13 52.6 0.2 . 1 . . . . 310 ALA CA . 6713 1 364 . 1 1 80 80 ALA CB C 13 19.5 0.2 . 1 . . . . 310 ALA CB . 6713 1 365 . 1 1 80 80 ALA N N 15 121.8 0.2 . 1 . . . . 310 ALA N . 6713 1 366 . 1 1 81 81 ARG H H 1 7.92 0.02 . 1 . . . . 311 ARG H . 6713 1 367 . 1 1 81 81 ARG N N 15 119.6 0.2 . 1 . . . . 311 ARG N . 6713 1 368 . 1 1 82 82 GLY C C 13 175 0.2 . 1 . . . . 312 GLY C . 6713 1 369 . 1 1 82 82 GLY CA C 13 45 0.2 . 1 . . . . 312 GLY CA . 6713 1 370 . 1 1 83 83 LEU H H 1 7.69 0.02 . 1 . . . . 313 LEU H . 6713 1 371 . 1 1 83 83 LEU C C 13 173.8 0.2 . 1 . . . . 313 LEU C . 6713 1 372 . 1 1 83 83 LEU CA C 13 53 0.2 . 1 . . . . 313 LEU CA . 6713 1 373 . 1 1 83 83 LEU CB C 13 41.4 0.2 . 1 . . . . 313 LEU CB . 6713 1 374 . 1 1 83 83 LEU N N 15 122.8 0.2 . 1 . . . . 313 LEU N . 6713 1 375 . 1 1 91 91 PRO CA C 13 63.2 0.2 . 1 . . . . 321 PRO CA . 6713 1 376 . 1 1 91 91 PRO CB C 13 32.1 0.2 . 1 . . . . 321 PRO CB . 6713 1 377 . 1 1 92 92 TRP H H 1 8.45 0.02 . 1 . . . . 322 TRP H . 6713 1 378 . 1 1 92 92 TRP C C 13 172 0.2 . 1 . . . . 322 TRP C . 6713 1 379 . 1 1 92 92 TRP CA C 13 56.9 0.2 . 1 . . . . 322 TRP CA . 6713 1 380 . 1 1 92 92 TRP CB C 13 30.3 0.2 . 1 . . . . 322 TRP CB . 6713 1 381 . 1 1 92 92 TRP N N 15 119.8 0.2 . 1 . . . . 322 TRP N . 6713 1 382 . 1 1 93 93 LYS H H 1 7.95 0.02 . 1 . . . . 323 LYS H . 6713 1 383 . 1 1 93 93 LYS C C 13 173.4 0.2 . 1 . . . . 323 LYS C . 6713 1 384 . 1 1 93 93 LYS CA C 13 55.2 0.2 . 1 . . . . 323 LYS CA . 6713 1 385 . 1 1 93 93 LYS CB C 13 39.2 0.2 . 1 . . . . 323 LYS CB . 6713 1 386 . 1 1 94 94 LEU H H 1 7.79 0.02 . 1 . . . . 324 LEU H . 6713 1 387 . 1 1 94 94 LEU C C 13 173.2 0.2 . 1 . . . . 324 LEU C . 6713 1 388 . 1 1 94 94 LEU CB C 13 45.3 0.2 . 1 . . . . 324 LEU C . 6713 1 389 . 1 1 94 94 LEU N N 15 118.1 0.2 . 1 . . . . 324 LEU N . 6713 1 390 . 1 1 95 95 HIS H H 1 8.97 0.02 . 1 . . . . 325 HIS H . 6713 1 391 . 1 1 95 95 HIS C C 13 173.8 0.2 . 1 . . . . 325 HIS C . 6713 1 392 . 1 1 95 95 HIS CA C 13 55.9 0.2 . 1 . . . . 325 HIS CA . 6713 1 393 . 1 1 95 95 HIS CB C 13 33.6 0.2 . 1 . . . . 325 HIS CB . 6713 1 394 . 1 1 95 95 HIS N N 15 122.1 0.2 . 1 . . . . 325 HIS N . 6713 1 395 . 1 1 96 96 ILE H H 1 10 0.02 . 1 . . . . 326 ILE H . 6713 1 396 . 1 1 96 96 ILE C C 13 174.8 0.2 . 1 . . . . 326 ILE C . 6713 1 397 . 1 1 96 96 ILE CA C 13 61 0.2 . 1 . . . . 326 ILE CA . 6713 1 398 . 1 1 96 96 ILE CB C 13 39.1 0.2 . 1 . . . . 326 ILE CB . 6713 1 399 . 1 1 96 96 ILE N N 15 129.1 0.2 . 1 . . . . 326 ILE N . 6713 1 400 . 1 1 97 97 THR H H 1 8.34 0.02 . 1 . . . . 327 THR H . 6713 1 401 . 1 1 97 97 THR C C 13 175.1 0.2 . 1 . . . . 327 THR C . 6713 1 402 . 1 1 97 97 THR CA C 13 58.6 0.2 . 1 . . . . 327 THR CA . 6713 1 403 . 1 1 97 97 THR CB C 13 70.9 0.2 . 1 . . . . 327 THR CB . 6713 1 404 . 1 1 97 97 THR N N 15 115.8 0.2 . 1 . . . . 327 THR N . 6713 1 405 . 1 1 98 98 GLN H H 1 8.69 0.02 . 1 . . . . 328 GLN H . 6713 1 406 . 1 1 98 98 GLN CA C 13 57 0.2 . 1 . . . . 328 GLN CA . 6713 1 407 . 1 1 98 98 GLN CB C 13 28.3 0.2 . 1 . . . . 328 GLN CB . 6713 1 408 . 1 1 98 98 GLN N N 15 121.1 0.2 . 1 . . . . 328 GLN N . 6713 1 409 . 1 1 100 100 ASP H H 1 8.13 0.02 . 1 . . . . 330 ASP H . 6713 1 410 . 1 1 100 100 ASP C C 13 173.6 0.2 . 1 . . . . 330 ASP C . 6713 1 411 . 1 1 100 100 ASP CA C 13 54.2 0.2 . 1 . . . . 330 ASP CA . 6713 1 412 . 1 1 100 100 ASP CB C 13 40.9 0.2 . 1 . . . . 330 ASP CB . 6713 1 413 . 1 1 100 100 ASP N N 15 118.3 0.2 . 1 . . . . 330 ASP N . 6713 1 414 . 1 1 101 101 ASN H H 1 7.89 0.02 . 1 . . . . 331 ASN H . 6713 1 415 . 1 1 101 101 ASN CA C 13 51.8 0.2 . 1 . . . . 331 ASN CA . 6713 1 416 . 1 1 101 101 ASN CB C 13 41.7 0.2 . 1 . . . . 331 ASN CB . 6713 1 417 . 1 1 101 101 ASN N N 15 122 0.2 . 1 . . . . 331 ASN N . 6713 1 418 . 1 1 103 103 ARG C C 13 172.1 0.2 . 1 . . . . 333 ARG C . 6713 1 419 . 1 1 103 103 ARG CA C 13 55.1 0.2 . 1 . . . . 333 ARG CA . 6713 1 420 . 1 1 104 104 VAL H H 1 8.03 0.02 . 1 . . . . 334 VAL H . 6713 1 421 . 1 1 104 104 VAL C C 13 173.3 0.2 . 1 . . . . 334 VAL C . 6713 1 422 . 1 1 104 104 VAL CA C 13 60.8 0.2 . 1 . . . . 334 VAL CA . 6713 1 423 . 1 1 104 104 VAL CB C 13 38.6 0.2 . 1 . . . . 334 VAL CB . 6713 1 424 . 1 1 104 104 VAL N N 15 123.1 0.2 . 1 . . . . 334 VAL N . 6713 1 425 . 1 1 105 105 TYR H H 1 8.28 0.02 . 1 . . . . 335 TYR H . 6713 1 426 . 1 1 105 105 TYR CA C 13 56.2 0.2 . 1 . . . . 335 TYR CA . 6713 1 427 . 1 1 105 105 TYR CB C 13 33.3 0.2 . 1 . . . . 335 TYR CB . 6713 1 428 . 1 1 105 105 TYR N N 15 126.3 0.2 . 1 . . . . 335 TYR N . 6713 1 429 . 1 1 106 106 ASN C C 13 174 0.2 . 1 . . . . 336 ASN C . 6713 1 430 . 1 1 106 106 ASN CA C 13 53.3 0.2 . 1 . . . . 336 ASN CA . 6713 1 431 . 1 1 106 106 ASN CB C 13 39 0.2 . 1 . . . . 336 ASN CB . 6713 1 432 . 1 1 107 107 THR H H 1 7.87 0.02 . 1 . . . . 337 THR H . 6713 1 433 . 1 1 107 107 THR C C 13 174.8 0.2 . 1 . . . . 337 THR C . 6713 1 434 . 1 1 107 107 THR CA C 13 61.7 0.2 . 1 . . . . 337 THR CA . 6713 1 435 . 1 1 107 107 THR CB C 13 69.9 0.2 . 1 . . . . 337 THR CB . 6713 1 436 . 1 1 107 107 THR N N 15 114.1 0.2 . 1 . . . . 337 THR N . 6713 1 437 . 1 1 108 108 MET H H 1 8.17 0.02 . 1 . . . . 338 MET H . 6713 1 438 . 1 1 108 108 MET CA C 13 53.2 0.2 . 1 . . . . 338 MET CA . 6713 1 439 . 1 1 108 108 MET CB C 13 32.3 0.2 . 1 . . . . 338 MET CB . 6713 1 440 . 1 1 108 108 MET N N 15 124.3 0.2 . 1 . . . . 338 MET N . 6713 1 stop_ save_