data_6710 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6710 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for PB1 domain of P67phox ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-29 _Entry.Accession_date 2005-06-29 _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 . . . 6710 2 Jean-Pierre Simorre . . . 6710 3 Virginie Dubosclard . . . 6710 4 Eva Pebay-Peyroula . . . 6710 5 Pierre Gans . . . 6710 6 Bernhard Brutscher . . . 6710 7 Franck Fieschi . . . 6710 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . IBS . 6710 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6710 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 220 6710 '15N chemical shifts' 69 6710 '1H chemical shifts' 143 6710 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 2005-06-29 original author . 6710 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 6710 _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 . . . 6710 1 2 Jean-pierre Simorre . . . 6710 1 3 Virginie Dubosclard . . . 6710 1 4 Eva Pebay-peyroula . . . 6710 1 5 Pierre Gans . . . 6710 1 6 Bernhard Brutscher . . . 6710 1 7 Franck Fieschi . . . 6710 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NADPH oxidase' 6710 1 'PB1 domains' 6710 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6710 _Assembly.ID 1 _Assembly.Name 'PB1 domain of p67phox' _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 'not present' _Assembly.Molecular_mass 12000 _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 6710 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 p67phox' 1 $PB1_p67phox_polypeptide . . yes native no no . . . 6710 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Activation NADPH oxidase' 6710 1 'Signal transduction' 6710 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PB1_p67phox_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode PB1_p67phox_polypeptide _Entity.Entry_ID 6710 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PB1 p67' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MKLSVPMPYTLKVHYKYTVV MKTQPGLPYSQVRDMVSKKL ELRLEHTKLSYRPRDSNELV PLSEDSMKDAWGQVKNYCLT LWCEN ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 DBJ BAD92884 . "neutrophil cytosol factor 2 variant [Homo sapiens]" . . . . . 81.90 598 97.67 98.84 1.36e-50 . . . . 6710 1 2 no DBJ BAG35548 . "unnamed protein product [Homo sapiens]" . . . . . 80.95 526 98.82 100.00 3.17e-51 . . . . 6710 1 3 no DBJ BAG59269 . "unnamed protein product [Homo sapiens]" . . . . . 81.90 420 97.67 98.84 5.59e-52 . . . . 6710 1 4 no DBJ BAG60869 . "unnamed protein product [Homo sapiens]" . . . . . 80.95 481 98.82 100.00 7.44e-52 . . . . 6710 1 5 no DBJ BAJ20290 . "neutrophil cytosolic factor 2 [synthetic construct]" . . . . . 80.95 526 97.65 98.82 2.04e-50 . . . . 6710 1 6 no GB AAA36379 . "neutrophil oxidase factor [Homo sapiens]" . . . . . 80.95 526 98.82 100.00 3.44e-51 . . . . 6710 1 7 no GB AAB60320 . "neutrophil oxidase factor [Homo sapiens]" . . . . . 80.95 526 98.82 100.00 3.17e-51 . . . . 6710 1 8 no GB AAH01606 . "Neutrophil cytosolic factor 2 [Homo sapiens]" . . . . . 80.95 526 97.65 98.82 2.04e-50 . . . . 6710 1 9 no GB AAM89263 . "p67phox-like protein [Homo sapiens]" . . . . . 80.95 526 98.82 100.00 3.17e-51 . . . . 6710 1 10 no GB AAP36107 . "neutrophil cytosolic factor 2 (65kDa, chronic granulomatous disease, autosomal 2) [Homo sapiens]" . . . . . 80.95 526 97.65 98.82 2.04e-50 . . . . 6710 1 11 no REF NP_000424 . "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" . . . . . 80.95 526 98.82 100.00 3.17e-51 . . . . 6710 1 12 no REF NP_001121123 . "neutrophil cytosol factor 2 isoform 1 [Homo sapiens]" . . . . . 80.95 526 98.82 100.00 3.17e-51 . . . . 6710 1 13 no REF NP_001177718 . "neutrophil cytosol factor 2 isoform 3 [Homo sapiens]" . . . . . 80.95 445 98.82 100.00 4.13e-52 . . . . 6710 1 14 no REF NP_001177723 . "neutrophil cytosol factor 2 isoform 2 [Homo sapiens]" . . . . . 80.95 481 98.82 100.00 7.93e-52 . . . . 6710 1 15 no REF XP_004028077 . "PREDICTED: neutrophil cytosol factor 2 isoform 1 [Gorilla gorilla gorilla]" . . . . . 80.00 526 98.81 100.00 8.39e-51 . . . . 6710 1 16 no SP P19878 . "RecName: Full=Neutrophil cytosol factor 2; Short=NCF-2; AltName: Full=67 kDa neutrophil oxidase factor; AltName: Full=NADPH oxi" . . . . . 80.95 526 98.82 100.00 3.17e-51 . . . . 6710 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 1 324 MET . 6710 1 2 325 GLY . 6710 1 3 326 SER . 6710 1 4 327 SER . 6710 1 5 328 HIS . 6710 1 6 329 HIS . 6710 1 7 330 HIS . 6710 1 8 331 HIS . 6710 1 9 332 HIS . 6710 1 10 333 HIS . 6710 1 11 334 SER . 6710 1 12 335 SER . 6710 1 13 336 GLY . 6710 1 14 337 LEU . 6710 1 15 338 VAL . 6710 1 16 339 PRO . 6710 1 17 340 ARG . 6710 1 18 341 GLY . 6710 1 19 342 SER . 6710 1 20 343 HIS . 6710 1 21 344 MET . 6710 1 22 345 LYS . 6710 1 23 346 LEU . 6710 1 24 347 SER . 6710 1 25 348 VAL . 6710 1 26 349 PRO . 6710 1 27 350 MET . 6710 1 28 351 PRO . 6710 1 29 352 TYR . 6710 1 30 353 THR . 6710 1 31 354 LEU . 6710 1 32 355 LYS . 6710 1 33 356 VAL . 6710 1 34 357 HIS . 6710 1 35 358 TYR . 6710 1 36 359 LYS . 6710 1 37 360 TYR . 6710 1 38 361 THR . 6710 1 39 362 VAL . 6710 1 40 363 VAL . 6710 1 41 364 MET . 6710 1 42 365 LYS . 6710 1 43 366 THR . 6710 1 44 367 GLN . 6710 1 45 368 PRO . 6710 1 46 369 GLY . 6710 1 47 370 LEU . 6710 1 48 371 PRO . 6710 1 49 372 TYR . 6710 1 50 373 SER . 6710 1 51 374 GLN . 6710 1 52 375 VAL . 6710 1 53 376 ARG . 6710 1 54 377 ASP . 6710 1 55 378 MET . 6710 1 56 379 VAL . 6710 1 57 380 SER . 6710 1 58 381 LYS . 6710 1 59 382 LYS . 6710 1 60 383 LEU . 6710 1 61 384 GLU . 6710 1 62 385 LEU . 6710 1 63 386 ARG . 6710 1 64 387 LEU . 6710 1 65 388 GLU . 6710 1 66 389 HIS . 6710 1 67 390 THR . 6710 1 68 391 LYS . 6710 1 69 392 LEU . 6710 1 70 393 SER . 6710 1 71 394 TYR . 6710 1 72 395 ARG . 6710 1 73 396 PRO . 6710 1 74 397 ARG . 6710 1 75 398 ASP . 6710 1 76 399 SER . 6710 1 77 400 ASN . 6710 1 78 401 GLU . 6710 1 79 402 LEU . 6710 1 80 403 VAL . 6710 1 81 404 PRO . 6710 1 82 405 LEU . 6710 1 83 406 SER . 6710 1 84 407 GLU . 6710 1 85 408 ASP . 6710 1 86 409 SER . 6710 1 87 410 MET . 6710 1 88 411 LYS . 6710 1 89 412 ASP . 6710 1 90 413 ALA . 6710 1 91 414 TRP . 6710 1 92 415 GLY . 6710 1 93 416 GLN . 6710 1 94 417 VAL . 6710 1 95 418 LYS . 6710 1 96 419 ASN . 6710 1 97 420 TYR . 6710 1 98 421 CYS . 6710 1 99 422 LEU . 6710 1 100 423 THR . 6710 1 101 424 LEU . 6710 1 102 425 TRP . 6710 1 103 426 CYS . 6710 1 104 427 GLU . 6710 1 105 428 ASN . 6710 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 6710 1 . GLY 2 2 6710 1 . SER 3 3 6710 1 . SER 4 4 6710 1 . HIS 5 5 6710 1 . HIS 6 6 6710 1 . HIS 7 7 6710 1 . HIS 8 8 6710 1 . HIS 9 9 6710 1 . HIS 10 10 6710 1 . SER 11 11 6710 1 . SER 12 12 6710 1 . GLY 13 13 6710 1 . LEU 14 14 6710 1 . VAL 15 15 6710 1 . PRO 16 16 6710 1 . ARG 17 17 6710 1 . GLY 18 18 6710 1 . SER 19 19 6710 1 . HIS 20 20 6710 1 . MET 21 21 6710 1 . LYS 22 22 6710 1 . LEU 23 23 6710 1 . SER 24 24 6710 1 . VAL 25 25 6710 1 . PRO 26 26 6710 1 . MET 27 27 6710 1 . PRO 28 28 6710 1 . TYR 29 29 6710 1 . THR 30 30 6710 1 . LEU 31 31 6710 1 . LYS 32 32 6710 1 . VAL 33 33 6710 1 . HIS 34 34 6710 1 . TYR 35 35 6710 1 . LYS 36 36 6710 1 . TYR 37 37 6710 1 . THR 38 38 6710 1 . VAL 39 39 6710 1 . VAL 40 40 6710 1 . MET 41 41 6710 1 . LYS 42 42 6710 1 . THR 43 43 6710 1 . GLN 44 44 6710 1 . PRO 45 45 6710 1 . GLY 46 46 6710 1 . LEU 47 47 6710 1 . PRO 48 48 6710 1 . TYR 49 49 6710 1 . SER 50 50 6710 1 . GLN 51 51 6710 1 . VAL 52 52 6710 1 . ARG 53 53 6710 1 . ASP 54 54 6710 1 . MET 55 55 6710 1 . VAL 56 56 6710 1 . SER 57 57 6710 1 . LYS 58 58 6710 1 . LYS 59 59 6710 1 . LEU 60 60 6710 1 . GLU 61 61 6710 1 . LEU 62 62 6710 1 . ARG 63 63 6710 1 . LEU 64 64 6710 1 . GLU 65 65 6710 1 . HIS 66 66 6710 1 . THR 67 67 6710 1 . LYS 68 68 6710 1 . LEU 69 69 6710 1 . SER 70 70 6710 1 . TYR 71 71 6710 1 . ARG 72 72 6710 1 . PRO 73 73 6710 1 . ARG 74 74 6710 1 . ASP 75 75 6710 1 . SER 76 76 6710 1 . ASN 77 77 6710 1 . GLU 78 78 6710 1 . LEU 79 79 6710 1 . VAL 80 80 6710 1 . PRO 81 81 6710 1 . LEU 82 82 6710 1 . SER 83 83 6710 1 . GLU 84 84 6710 1 . ASP 85 85 6710 1 . SER 86 86 6710 1 . MET 87 87 6710 1 . LYS 88 88 6710 1 . ASP 89 89 6710 1 . ALA 90 90 6710 1 . TRP 91 91 6710 1 . GLY 92 92 6710 1 . GLN 93 93 6710 1 . VAL 94 94 6710 1 . LYS 95 95 6710 1 . ASN 96 96 6710 1 . TYR 97 97 6710 1 . CYS 98 98 6710 1 . LEU 99 99 6710 1 . THR 100 100 6710 1 . LEU 101 101 6710 1 . TRP 102 102 6710 1 . CYS 103 103 6710 1 . GLU 104 104 6710 1 . ASN 105 105 6710 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 6710 _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_p67phox_polypeptide . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . lymphoid . . . . . . . . . . . . . . . . 6710 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 6710 _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_p67phox_polypeptide . 'recombinant technology' . 'E. coli' 'BL21(DE3) strain' . . . BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6710 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_PB1_p67 _Sample.Sf_category sample _Sample.Sf_framecode 15N_PB1_p67 _Sample.Entry_ID 6710 _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 p67' '[U-98% 15N]' . . 1 $PB1_p67phox_polypeptide . protein 1.2 . . mM . . . . 6710 1 2 HEPES . . . . . . buffer 50 . . mM . . . . 6710 1 3 NaCl . . . . . . salt 100 . . mM . . . . 6710 1 4 Dithiothreitol . . . . . . 'reducing agent' 2 . . mM . . . . 6710 1 stop_ save_ save_15N_13C_PB1_p67 _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_PB1_p67 _Sample.Entry_ID 6710 _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 p67' '[U-98% 15N; U-97% 13C]' . . 1 $PB1_p67phox_polypeptide . protein 1.1 . . mM . . . . 6710 2 2 HEPES . . . . . . buffer 50 . . mM . . . . 6710 2 3 NaCl . . . . . . salt 100 . . mM . . . . 6710 2 4 Dithiothreitol . . . . . . 'reducing agent' 2 . . mM . . . . 6710 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 6710 _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 6710 1 temperature 298 0.3 K 6710 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 6710 _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 6710 _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 6710 _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-HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6710 1 2 2D-HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6710 1 3 2D-HN(CA)CB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6710 1 4 2D-HN(COCA)CB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6710 1 5 2D-HN(CA)HA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6710 1 6 2D-HN(COCA)HA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6710 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6710 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _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 6710 _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 . . . . . . . . . 6710 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 6710 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6710 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 6710 _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_p67 isotropic 6710 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 28 28 PRO HA H 1 4.51 0.02 . 1 . . . . 351 PRO HA . 6710 1 2 . 1 1 28 28 PRO C C 13 176.47 0.2 . 1 . . . . 351 PRO C . 6710 1 3 . 1 1 28 28 PRO CA C 13 62.82 0.2 . 1 . . . . 351 PRO CA . 6710 1 4 . 1 1 28 28 PRO CB C 13 31.91 0.2 . 1 . . . . 351 PRO CB . 6710 1 5 . 1 1 29 29 TYR H H 1 8.52 0.02 . 1 . . . . 352 TYR H . 6710 1 6 . 1 1 29 29 TYR HA H 1 5.35 0.02 . 1 . . . . 352 TYR HA . 6710 1 7 . 1 1 29 29 TYR C C 13 176.72 0.2 . 1 . . . . 352 TYR C . 6710 1 8 . 1 1 29 29 TYR CA C 13 57.37 0.2 . 1 . . . . 352 TYR CA . 6710 1 9 . 1 1 29 29 TYR CB C 13 40.41 0.2 . 1 . . . . 352 TYR CB . 6710 1 10 . 1 1 29 29 TYR N N 15 120.68 0.2 . 1 . . . . 352 TYR N . 6710 1 11 . 1 1 30 30 THR H H 1 8.95 0.02 . 1 . . . . 353 THR H . 6710 1 12 . 1 1 30 30 THR HA H 1 5.03 0.02 . 1 . . . . 353 THR HA . 6710 1 13 . 1 1 30 30 THR C C 13 172.84 0.2 . 1 . . . . 353 THR C . 6710 1 14 . 1 1 30 30 THR CA C 13 60.65 0.2 . 1 . . . . 353 THR CA . 6710 1 15 . 1 1 30 30 THR CB C 13 72.82 0.2 . 1 . . . . 353 THR CB . 6710 1 16 . 1 1 30 30 THR N N 15 112.41 0.2 . 1 . . . . 353 THR N . 6710 1 17 . 1 1 31 31 LEU H H 1 9.15 0.02 . 1 . . . . 354 LEU H . 6710 1 18 . 1 1 31 31 LEU HA H 1 5.26 0.02 . 1 . . . . 354 LEU HA . 6710 1 19 . 1 1 31 31 LEU C C 13 174.51 0.2 . 1 . . . . 354 LEU C . 6710 1 20 . 1 1 31 31 LEU CA C 13 53.1 0.2 . 1 . . . . 354 LEU CA . 6710 1 21 . 1 1 31 31 LEU CB C 13 44.83 0.2 . 1 . . . . 354 LEU CB . 6710 1 22 . 1 1 31 31 LEU N N 15 123.63 0.2 . 1 . . . . 354 LEU N . 6710 1 23 . 1 1 32 32 LYS H H 1 8.84 0.02 . 1 . . . . 355 LYS H . 6710 1 24 . 1 1 32 32 LYS HA H 1 4.91 0.02 . 1 . . . . 355 LYS HA . 6710 1 25 . 1 1 32 32 LYS C C 13 173.46 0.2 . 1 . . . . 355 LYS C . 6710 1 26 . 1 1 32 32 LYS CA C 13 54.37 0.2 . 1 . . . . 355 LYS CA . 6710 1 27 . 1 1 32 32 LYS CB C 13 34.54 0.2 . 1 . . . . 355 LYS CB . 6710 1 28 . 1 1 32 32 LYS N N 15 127.99 0.2 . 1 . . . . 355 LYS N . 6710 1 29 . 1 1 33 33 VAL H H 1 8.92 0.02 . 1 . . . . 356 VAL H . 6710 1 30 . 1 1 33 33 VAL HA H 1 4.5 0.02 . 1 . . . . 356 VAL HA . 6710 1 31 . 1 1 33 33 VAL C C 13 174.66 0.2 . 1 . . . . 356 VAL C . 6710 1 32 . 1 1 33 33 VAL CA C 13 59.64 0.2 . 1 . . . . 356 VAL CA . 6710 1 33 . 1 1 33 33 VAL CB C 13 33.71 0.2 . 1 . . . . 356 VAL CB . 6710 1 34 . 1 1 33 33 VAL N N 15 124.07 0.2 . 1 . . . . 356 VAL N . 6710 1 35 . 1 1 34 34 HIS H H 1 8.76 0.02 . 1 . . . . 357 HIS H . 6710 1 36 . 1 1 34 34 HIS HA H 1 4.61 0.02 . 1 . . . . 357 HIS HA . 6710 1 37 . 1 1 34 34 HIS C C 13 174.57 0.2 . 1 . . . . 357 HIS C . 6710 1 38 . 1 1 34 34 HIS CA C 13 55.55 0.2 . 1 . . . . 357 HIS CA . 6710 1 39 . 1 1 34 34 HIS CB C 13 29.74 0.2 . 1 . . . . 357 HIS CB . 6710 1 40 . 1 1 34 34 HIS N N 15 126.04 0.2 . 1 . . . . 357 HIS N . 6710 1 41 . 1 1 35 35 TYR H H 1 7.83 0.02 . 1 . . . . 358 TYR H . 6710 1 42 . 1 1 35 35 TYR HA H 1 5.26 0.02 . 1 . . . . 358 TYR HA . 6710 1 43 . 1 1 35 35 TYR C C 13 175.7 0.2 . 1 . . . . 358 TYR C . 6710 1 44 . 1 1 35 35 TYR CA C 13 54.24 0.2 . 1 . . . . 358 TYR CA . 6710 1 45 . 1 1 35 35 TYR CB C 13 39.63 0.2 . 1 . . . . 358 TYR CB . 6710 1 46 . 1 1 35 35 TYR N N 15 130.36 0.2 . 1 . . . . 358 TYR N . 6710 1 47 . 1 1 36 36 LYS H H 1 6.18 0.02 . 1 . . . . 359 LYS H . 6710 1 48 . 1 1 36 36 LYS HA H 1 3.86 0.02 . 1 . . . . 359 LYS HA . 6710 1 49 . 1 1 36 36 LYS C C 13 174.71 0.2 . 1 . . . . 359 LYS C . 6710 1 50 . 1 1 36 36 LYS CA C 13 58.86 0.2 . 1 . . . . 359 LYS CA . 6710 1 51 . 1 1 36 36 LYS CB C 13 32.69 0.2 . 1 . . . . 359 LYS CB . 6710 1 52 . 1 1 36 36 LYS N N 15 128.18 0.2 . 1 . . . . 359 LYS N . 6710 1 53 . 1 1 37 37 TYR H H 1 6.93 0.02 . 1 . . . . 360 TYR H . 6710 1 54 . 1 1 37 37 TYR HA H 1 4.76 0.02 . 1 . . . . 360 TYR HA . 6710 1 55 . 1 1 37 37 TYR C C 13 174.38 0.2 . 1 . . . . 360 TYR C . 6710 1 56 . 1 1 37 37 TYR CA C 13 53.99 0.2 . 1 . . . . 360 TYR CA . 6710 1 57 . 1 1 37 37 TYR CB C 13 39.63 0.2 . 1 . . . . 360 TYR CB . 6710 1 58 . 1 1 37 37 TYR N N 15 112.39 0.2 . 1 . . . . 360 TYR N . 6710 1 59 . 1 1 38 38 THR H H 1 9.04 0.02 . 1 . . . . 361 THR H . 6710 1 60 . 1 1 38 38 THR HA H 1 5.27 0.02 . 1 . . . . 361 THR HA . 6710 1 61 . 1 1 38 38 THR C C 13 174.41 0.2 . 1 . . . . 361 THR C . 6710 1 62 . 1 1 38 38 THR CA C 13 63.2 0.2 . 1 . . . . 361 THR CA . 6710 1 63 . 1 1 38 38 THR CB C 13 70.2 0.2 . 1 . . . . 361 THR CB . 6710 1 64 . 1 1 38 38 THR N N 15 119.25 0.2 . 1 . . . . 361 THR N . 6710 1 65 . 1 1 39 39 VAL H H 1 8.7 0.02 . 1 . . . . 362 VAL H . 6710 1 66 . 1 1 39 39 VAL HA H 1 4.73 0.02 . 1 . . . . 362 VAL HA . 6710 1 67 . 1 1 39 39 VAL C C 13 173 0.2 . 1 . . . . 362 VAL C . 6710 1 68 . 1 1 39 39 VAL CA C 13 59.58 0.2 . 1 . . . . 362 VAL CA . 6710 1 69 . 1 1 39 39 VAL CB C 13 35.44 0.2 . 1 . . . . 362 VAL CB . 6710 1 70 . 1 1 39 39 VAL N N 15 123.55 0.2 . 1 . . . . 362 VAL N . 6710 1 71 . 1 1 40 40 VAL H H 1 8.33 0.02 . 1 . . . . 363 VAL H . 6710 1 72 . 1 1 40 40 VAL HA H 1 5.08 0.02 . 1 . . . . 363 VAL HA . 6710 1 73 . 1 1 40 40 VAL C C 13 175.51 0.2 . 1 . . . . 363 VAL C . 6710 1 74 . 1 1 40 40 VAL CA C 13 60.79 0.2 . 1 . . . . 363 VAL CA . 6710 1 75 . 1 1 40 40 VAL CB C 13 34.19 0.2 . 1 . . . . 363 VAL CB . 6710 1 76 . 1 1 40 40 VAL N N 15 122.21 0.2 . 1 . . . . 363 VAL N . 6710 1 77 . 1 1 41 41 MET H H 1 9.15 0.02 . 1 . . . . 364 MET H . 6710 1 78 . 1 1 41 41 MET HA H 1 4.85 0.02 . 1 . . . . 364 MET HA . 6710 1 79 . 1 1 41 41 MET C C 13 174.1 0.2 . 1 . . . . 364 MET C . 6710 1 80 . 1 1 41 41 MET CA C 13 53.93 0.2 . 1 . . . . 364 MET CA . 6710 1 81 . 1 1 41 41 MET CB C 13 37.46 0.2 . 1 . . . . 364 MET CB . 6710 1 82 . 1 1 41 41 MET N N 15 124.04 0.2 . 1 . . . . 364 MET N . 6710 1 83 . 1 1 42 42 LYS H H 1 8.55 0.02 . 1 . . . . 365 LYS H . 6710 1 84 . 1 1 42 42 LYS HA H 1 4.78 0.02 . 1 . . . . 365 LYS HA . 6710 1 85 . 1 1 42 42 LYS C C 13 175.9 0.2 . 1 . . . . 365 LYS C . 6710 1 86 . 1 1 42 42 LYS CA C 13 56.65 0.2 . 1 . . . . 365 LYS CA . 6710 1 87 . 1 1 42 42 LYS CB C 13 33.42 0.2 . 1 . . . . 365 LYS CB . 6710 1 88 . 1 1 42 42 LYS N N 15 122.07 0.2 . 1 . . . . 365 LYS N . 6710 1 89 . 1 1 43 43 THR H H 1 8.21 0.02 . 1 . . . . 366 THR H . 6710 1 90 . 1 1 43 43 THR HA H 1 4.74 0.02 . 1 . . . . 366 THR HA . 6710 1 91 . 1 1 43 43 THR C C 13 172.4 0.2 . 1 . . . . 366 THR C . 6710 1 92 . 1 1 43 43 THR CA C 13 60.46 0.2 . 1 . . . . 366 THR CA . 6710 1 93 . 1 1 43 43 THR CB C 13 70.49 0.2 . 1 . . . . 366 THR CB . 6710 1 94 . 1 1 43 43 THR N N 15 115.57 0.2 . 1 . . . . 366 THR N . 6710 1 95 . 1 1 44 44 GLN H H 1 7.86 0.02 . 1 . . . . 367 GLN H . 6710 1 96 . 1 1 44 44 GLN HA H 1 4.61 0.02 . 1 . . . . 367 GLN HA . 6710 1 97 . 1 1 44 44 GLN CA C 13 53.67 0.2 . 1 . . . . 367 GLN CA . 6710 1 98 . 1 1 44 44 GLN CB C 13 29.07 0.2 . 1 . . . . 367 GLN CB . 6710 1 99 . 1 1 44 44 GLN N N 15 123.97 0.2 . 1 . . . . 367 GLN N . 6710 1 100 . 1 1 45 45 PRO HA H 1 3.46 0.02 . 1 . . . . 368 PRO HA . 6710 1 101 . 1 1 45 45 PRO C C 13 176.67 0.2 . 1 . . . . 368 PRO C . 6710 1 102 . 1 1 45 45 PRO CA C 13 61.12 0.2 . 1 . . . . 368 PRO CA . 6710 1 103 . 1 1 45 45 PRO CB C 13 30.07 0.2 . 1 . . . . 368 PRO CB . 6710 1 104 . 1 1 46 46 GLY H H 1 7.89 0.02 . 1 . . . . 369 GLY H . 6710 1 105 . 1 1 46 46 GLY C C 13 173.42 0.2 . 1 . . . . 369 GLY C . 6710 1 106 . 1 1 46 46 GLY CA C 13 45.7 0.2 . 1 . . . . 369 GLY CA . 6710 1 107 . 1 1 46 46 GLY N N 15 102.31 0.2 . 1 . . . . 369 GLY N . 6710 1 108 . 1 1 47 47 LEU H H 1 6.04 0.02 . 1 . . . . 370 LEU H . 6710 1 109 . 1 1 47 47 LEU HA H 1 4.27 0.02 . 1 . . . . 370 LEU HA . 6710 1 110 . 1 1 47 47 LEU CA C 13 53.32 0.2 . 1 . . . . 370 LEU CA . 6710 1 111 . 1 1 47 47 LEU CB C 13 42.58 0.2 . 1 . . . . 370 LEU CB . 6710 1 112 . 1 1 47 47 LEU N N 15 116.8 0.2 . 1 . . . . 370 LEU N . 6710 1 113 . 1 1 48 48 PRO HA H 1 4.67 0.02 . 1 . . . . 371 PRO HA . 6710 1 114 . 1 1 48 48 PRO C C 13 176.92 0.2 . 1 . . . . 371 PRO C . 6710 1 115 . 1 1 48 48 PRO CA C 13 62.41 0.2 . 1 . . . . 371 PRO CA . 6710 1 116 . 1 1 48 48 PRO CB C 13 32.74 0.2 . 1 . . . . 371 PRO CB . 6710 1 117 . 1 1 49 49 TYR H H 1 9.39 0.02 . 1 . . . . 372 TYR H . 6710 1 118 . 1 1 49 49 TYR HA H 1 4.31 0.02 . 1 . . . . 372 TYR HA . 6710 1 119 . 1 1 49 49 TYR C C 13 176.58 0.2 . 1 . . . . 372 TYR C . 6710 1 120 . 1 1 49 49 TYR CA C 13 61.17 0.2 . 1 . . . . 372 TYR CA . 6710 1 121 . 1 1 49 49 TYR CB C 13 38.6 0.2 . 1 . . . . 372 TYR CB . 6710 1 122 . 1 1 49 49 TYR N N 15 123.17 0.2 . 1 . . . . 372 TYR N . 6710 1 123 . 1 1 50 50 SER H H 1 9.11 0.02 . 1 . . . . 373 SER H . 6710 1 124 . 1 1 50 50 SER HA H 1 3.5 0.02 . 1 . . . . 373 SER HA . 6710 1 125 . 1 1 50 50 SER C C 13 176.8 0.2 . 1 . . . . 373 SER C . 6710 1 126 . 1 1 50 50 SER CA C 13 61.39 0.2 . 1 . . . . 373 SER CA . 6710 1 127 . 1 1 50 50 SER N N 15 112.51 0.2 . 1 . . . . 373 SER N . 6710 1 128 . 1 1 51 51 GLN H H 1 6.88 0.02 . 1 . . . . 374 GLN H . 6710 1 129 . 1 1 51 51 GLN HA H 1 4.2 0.02 . 1 . . . . 374 GLN HA . 6710 1 130 . 1 1 51 51 GLN C C 13 178.27 0.2 . 1 . . . . 374 GLN C . 6710 1 131 . 1 1 51 51 GLN CA C 13 58.48 0.2 . 1 . . . . 374 GLN CA . 6710 1 132 . 1 1 51 51 GLN CB C 13 29.3 0.2 . 1 . . . . 374 GLN CB . 6710 1 133 . 1 1 51 51 GLN N N 15 120.66 0.2 . 1 . . . . 374 GLN N . 6710 1 134 . 1 1 52 52 VAL H H 1 7.8 0.02 . 1 . . . . 375 VAL H . 6710 1 135 . 1 1 52 52 VAL HA H 1 3.51 0.02 . 1 . . . . 375 VAL HA . 6710 1 136 . 1 1 52 52 VAL C C 13 176.92 0.2 . 1 . . . . 375 VAL C . 6710 1 137 . 1 1 52 52 VAL CA C 13 66.99 0.2 . 1 . . . . 375 VAL CA . 6710 1 138 . 1 1 52 52 VAL CB C 13 31.88 0.2 . 1 . . . . 375 VAL CB . 6710 1 139 . 1 1 52 52 VAL N N 15 122.47 0.2 . 1 . . . . 375 VAL N . 6710 1 140 . 1 1 53 53 ARG H H 1 8.7 0.02 . 1 . . . . 376 ARG H . 6710 1 141 . 1 1 53 53 ARG HA H 1 3.42 0.02 . 1 . . . . 376 ARG HA . 6710 1 142 . 1 1 53 53 ARG C C 13 177.96 0.2 . 1 . . . . 376 ARG C . 6710 1 143 . 1 1 53 53 ARG CA C 13 60.13 0.2 . 1 . . . . 376 ARG CA . 6710 1 144 . 1 1 53 53 ARG CB C 13 29.48 0.2 . 1 . . . . 376 ARG CB . 6710 1 145 . 1 1 53 53 ARG N N 15 118.58 0.2 . 1 . . . . 376 ARG N . 6710 1 146 . 1 1 54 54 ASP H H 1 7.46 0.02 . 1 . . . . 377 ASP H . 6710 1 147 . 1 1 54 54 ASP HA H 1 4.18 0.02 . 1 . . . . 377 ASP HA . 6710 1 148 . 1 1 54 54 ASP C C 13 177.79 0.2 . 1 . . . . 377 ASP C . 6710 1 149 . 1 1 54 54 ASP CA C 13 57.99 0.2 . 1 . . . . 377 ASP CA . 6710 1 150 . 1 1 54 54 ASP CB C 13 41.81 0.2 . 1 . . . . 377 ASP CB . 6710 1 151 . 1 1 54 54 ASP N N 15 117.94 0.2 . 1 . . . . 377 ASP N . 6710 1 152 . 1 1 55 55 MET H H 1 8.01 0.02 . 1 . . . . 378 MET H . 6710 1 153 . 1 1 55 55 MET HA H 1 3.99 0.02 . 1 . . . . 378 MET HA . 6710 1 154 . 1 1 55 55 MET C C 13 179.2 0.2 . 1 . . . . 378 MET C . 6710 1 155 . 1 1 55 55 MET CA C 13 59.3 0.2 . 1 . . . . 378 MET CA . 6710 1 156 . 1 1 55 55 MET CB C 13 33.47 0.2 . 1 . . . . 378 MET CB . 6710 1 157 . 1 1 55 55 MET N N 15 117.77 0.2 . 1 . . . . 378 MET N . 6710 1 158 . 1 1 56 56 VAL H H 1 8.22 0.02 . 1 . . . . 379 VAL H . 6710 1 159 . 1 1 56 56 VAL HA H 1 3.31 0.02 . 1 . . . . 379 VAL HA . 6710 1 160 . 1 1 56 56 VAL C C 13 176.63 0.2 . 1 . . . . 379 VAL C . 6710 1 161 . 1 1 56 56 VAL CA C 13 67.36 0.2 . 1 . . . . 379 VAL CA . 6710 1 162 . 1 1 56 56 VAL CB C 13 31.45 0.2 . 1 . . . . 379 VAL CB . 6710 1 163 . 1 1 56 56 VAL N N 15 120.17 0.2 . 1 . . . . 379 VAL N . 6710 1 164 . 1 1 57 57 SER H H 1 8.46 0.02 . 1 . . . . 380 SER H . 6710 1 165 . 1 1 57 57 SER HA H 1 3.88 0.02 . 1 . . . . 380 SER HA . 6710 1 166 . 1 1 57 57 SER C C 13 176.91 0.2 . 1 . . . . 380 SER C . 6710 1 167 . 1 1 57 57 SER CA C 13 61.85 0.2 . 1 . . . . 380 SER CA . 6710 1 168 . 1 1 57 57 SER CB C 13 63 0.2 . 1 . . . . 380 SER CB . 6710 1 169 . 1 1 57 57 SER N N 15 115.6 0.2 . 1 . . . . 380 SER N . 6710 1 170 . 1 1 58 58 LYS H H 1 7.83 0.02 . 1 . . . . 381 LYS H . 6710 1 171 . 1 1 58 58 LYS HA H 1 4.07 0.02 . 1 . . . . 381 LYS HA . 6710 1 172 . 1 1 58 58 LYS C C 13 179.8 0.2 . 1 . . . . 381 LYS C . 6710 1 173 . 1 1 58 58 LYS CA C 13 58.98 0.2 . 1 . . . . 381 LYS CA . 6710 1 174 . 1 1 58 58 LYS CB C 13 32.64 0.2 . 1 . . . . 381 LYS CB . 6710 1 175 . 1 1 58 58 LYS N N 15 118.77 0.2 . 1 . . . . 381 LYS N . 6710 1 176 . 1 1 59 59 LYS H H 1 7.67 0.02 . 1 . . . . 382 LYS H . 6710 1 177 . 1 1 59 59 LYS HA H 1 4.2 0.02 . 1 . . . . 382 LYS HA . 6710 1 178 . 1 1 59 59 LYS C C 13 178.06 0.2 . 1 . . . . 382 LYS C . 6710 1 179 . 1 1 59 59 LYS CA C 13 57.44 0.2 . 1 . . . . 382 LYS CA . 6710 1 180 . 1 1 59 59 LYS CB C 13 32.33 0.2 . 1 . . . . 382 LYS CB . 6710 1 181 . 1 1 59 59 LYS N N 15 120.12 0.2 . 1 . . . . 382 LYS N . 6710 1 182 . 1 1 60 60 LEU H H 1 8.11 0.02 . 1 . . . . 383 LEU H . 6710 1 183 . 1 1 60 60 LEU HA H 1 4.26 0.02 . 1 . . . . 383 LEU HA . 6710 1 184 . 1 1 60 60 LEU C C 13 174.81 0.2 . 1 . . . . 383 LEU C . 6710 1 185 . 1 1 60 60 LEU CA C 13 54.58 0.2 . 1 . . . . 383 LEU CA . 6710 1 186 . 1 1 60 60 LEU CB C 13 41.8 0.2 . 1 . . . . 383 LEU CB . 6710 1 187 . 1 1 60 60 LEU N N 15 115.35 0.2 . 1 . . . . 383 LEU N . 6710 1 188 . 1 1 61 61 GLU H H 1 7.59 0.02 . 1 . . . . 384 GLU H . 6710 1 189 . 1 1 61 61 GLU HA H 1 3.8 0.02 . 1 . . . . 384 GLU HA . 6710 1 190 . 1 1 61 61 GLU C C 13 175.06 0.2 . 1 . . . . 384 GLU C . 6710 1 191 . 1 1 61 61 GLU CA C 13 57.19 0.2 . 1 . . . . 384 GLU CA . 6710 1 192 . 1 1 61 61 GLU CB C 13 26.63 0.2 . 1 . . . . 384 GLU CB . 6710 1 193 . 1 1 61 61 GLU N N 15 116.1 0.2 . 1 . . . . 384 GLU N . 6710 1 194 . 1 1 62 62 LEU H H 1 8.14 0.02 . 1 . . . . 385 LEU H . 6710 1 195 . 1 1 62 62 LEU HA H 1 4.66 0.02 . 1 . . . . 385 LEU HA . 6710 1 196 . 1 1 62 62 LEU C C 13 177.51 0.2 . 1 . . . . 385 LEU C . 6710 1 197 . 1 1 62 62 LEU CA C 13 52.49 0.2 . 1 . . . . 385 LEU CA . 6710 1 198 . 1 1 62 62 LEU CB C 13 46.28 0.2 . 1 . . . . 385 LEU CB . 6710 1 199 . 1 1 62 62 LEU N N 15 119.2 0.2 . 1 . . . . 385 LEU N . 6710 1 200 . 1 1 63 63 ARG H H 1 8.57 0.02 . 1 . . . . 386 ARG H . 6710 1 201 . 1 1 63 63 ARG HA H 1 4.13 0.02 . 1 . . . . 386 ARG HA . 6710 1 202 . 1 1 63 63 ARG C C 13 179.45 0.2 . 1 . . . . 386 ARG C . 6710 1 203 . 1 1 63 63 ARG CA C 13 56.33 0.2 . 1 . . . . 386 ARG CA . 6710 1 204 . 1 1 63 63 ARG CB C 13 30.03 0.2 . 1 . . . . 386 ARG CB . 6710 1 205 . 1 1 63 63 ARG N N 15 121.32 0.2 . 1 . . . . 386 ARG N . 6710 1 206 . 1 1 64 64 LEU H H 1 8.86 0.02 . 1 . . . . 387 LEU H . 6710 1 207 . 1 1 64 64 LEU HA H 1 3.78 0.02 . 1 . . . . 387 LEU HA . 6710 1 208 . 1 1 64 64 LEU C C 13 179.83 0.2 . 1 . . . . 387 LEU C . 6710 1 209 . 1 1 64 64 LEU CA C 13 59.3 0.2 . 1 . . . . 387 LEU CA . 6710 1 210 . 1 1 64 64 LEU CB C 13 42.2 0.2 . 1 . . . . 387 LEU CB . 6710 1 211 . 1 1 64 64 LEU N N 15 128.38 0.2 . 1 . . . . 387 LEU N . 6710 1 212 . 1 1 65 65 GLU H H 1 9.49 0.02 . 1 . . . . 388 GLU H . 6710 1 213 . 1 1 65 65 GLU HA H 1 4.02 0.02 . 1 . . . . 388 GLU HA . 6710 1 214 . 1 1 65 65 GLU C C 13 176.66 0.2 . 1 . . . . 388 GLU C . 6710 1 215 . 1 1 65 65 GLU CA C 13 58.52 0.2 . 1 . . . . 388 GLU CA . 6710 1 216 . 1 1 65 65 GLU CB C 13 28.1 0.2 . 1 . . . . 388 GLU CB . 6710 1 217 . 1 1 65 65 GLU N N 15 114.73 0.2 . 1 . . . . 388 GLU N . 6710 1 218 . 1 1 66 66 HIS H H 1 7.36 0.02 . 1 . . . . 389 HIS H . 6710 1 219 . 1 1 66 66 HIS HA H 1 4.89 0.02 . 1 . . . . 389 HIS HA . 6710 1 220 . 1 1 66 66 HIS C C 13 174.82 0.2 . 1 . . . . 389 HIS C . 6710 1 221 . 1 1 66 66 HIS CA C 13 54.49 0.2 . 1 . . . . 389 HIS CA . 6710 1 222 . 1 1 66 66 HIS CB C 13 32.13 0.2 . 1 . . . . 389 HIS CB . 6710 1 223 . 1 1 66 66 HIS N N 15 117.21 0.2 . 1 . . . . 389 HIS N . 6710 1 224 . 1 1 67 67 THR H H 1 7.81 0.02 . 1 . . . . 390 THR H . 6710 1 225 . 1 1 67 67 THR HA H 1 3.93 0.02 . 1 . . . . 390 THR HA . 6710 1 226 . 1 1 67 67 THR C C 13 173.56 0.2 . 1 . . . . 390 THR C . 6710 1 227 . 1 1 67 67 THR CA C 13 62.85 0.2 . 1 . . . . 390 THR CA . 6710 1 228 . 1 1 67 67 THR CB C 13 67.24 0.2 . 1 . . . . 390 THR CB . 6710 1 229 . 1 1 67 67 THR N N 15 119.4 0.2 . 1 . . . . 390 THR N . 6710 1 230 . 1 1 68 68 LYS H H 1 8.06 0.02 . 1 . . . . 391 LYS H . 6710 1 231 . 1 1 68 68 LYS HA H 1 4.61 0.02 . 1 . . . . 391 LYS HA . 6710 1 232 . 1 1 68 68 LYS C C 13 175.25 0.2 . 1 . . . . 391 LYS C . 6710 1 233 . 1 1 68 68 LYS CA C 13 55.62 0.2 . 1 . . . . 391 LYS CA . 6710 1 234 . 1 1 68 68 LYS CB C 13 32.75 0.2 . 1 . . . . 391 LYS CB . 6710 1 235 . 1 1 68 68 LYS N N 15 129.44 0.2 . 1 . . . . 391 LYS N . 6710 1 236 . 1 1 69 69 LEU H H 1 8.86 0.02 . 1 . . . . 392 LEU H . 6710 1 237 . 1 1 69 69 LEU HA H 1 5.73 0.02 . 1 . . . . 392 LEU HA . 6710 1 238 . 1 1 69 69 LEU C C 13 176.92 0.2 . 1 . . . . 392 LEU C . 6710 1 239 . 1 1 69 69 LEU CA C 13 53.33 0.2 . 1 . . . . 392 LEU CA . 6710 1 240 . 1 1 69 69 LEU CB C 13 45.89 0.2 . 1 . . . . 392 LEU CB . 6710 1 241 . 1 1 69 69 LEU N N 15 125.22 0.2 . 1 . . . . 392 LEU N . 6710 1 242 . 1 1 70 70 SER H H 1 9.29 0.02 . 1 . . . . 393 SER H . 6710 1 243 . 1 1 70 70 SER HA H 1 5.44 0.02 . 1 . . . . 393 SER HA . 6710 1 244 . 1 1 70 70 SER C C 13 171.57 0.2 . 1 . . . . 393 SER C . 6710 1 245 . 1 1 70 70 SER CA C 13 58.26 0.2 . 1 . . . . 393 SER CA . 6710 1 246 . 1 1 70 70 SER CB C 13 67.75 0.2 . 1 . . . . 393 SER CB . 6710 1 247 . 1 1 70 70 SER N N 15 117.27 0.2 . 1 . . . . 393 SER N . 6710 1 248 . 1 1 71 71 TYR H H 1 9.39 0.02 . 1 . . . . 394 TYR H . 6710 1 249 . 1 1 71 71 TYR HA H 1 5.52 0.02 . 1 . . . . 394 TYR HA . 6710 1 250 . 1 1 71 71 TYR C C 13 171.08 0.2 . 1 . . . . 394 TYR C . 6710 1 251 . 1 1 71 71 TYR CA C 13 55.06 0.2 . 1 . . . . 394 TYR CA . 6710 1 252 . 1 1 71 71 TYR CB C 13 41.78 0.2 . 1 . . . . 394 TYR CB . 6710 1 253 . 1 1 71 71 TYR N N 15 121.47 0.2 . 1 . . . . 394 TYR N . 6710 1 254 . 1 1 72 72 ARG H H 1 9.17 0.02 . 1 . . . . 395 ARG H . 6710 1 255 . 1 1 72 72 ARG HA H 1 4.95 0.02 . 1 . . . . 395 ARG HA . 6710 1 256 . 1 1 72 72 ARG CA C 13 52.45 0.2 . 1 . . . . 395 ARG CA . 6710 1 257 . 1 1 72 72 ARG CB C 13 32.59 0.2 . 1 . . . . 395 ARG CB . 6710 1 258 . 1 1 72 72 ARG N N 15 122.39 0.2 . 1 . . . . 395 ARG N . 6710 1 259 . 1 1 73 73 PRO HA H 1 4.39 0.02 . 1 . . . . 396 PRO HA . 6710 1 260 . 1 1 73 73 PRO C C 13 176.03 0.2 . 1 . . . . 396 PRO C . 6710 1 261 . 1 1 73 73 PRO CA C 13 62.41 0.2 . 1 . . . . 396 PRO CA . 6710 1 262 . 1 1 73 73 PRO CB C 13 32.28 0.2 . 1 . . . . 396 PRO CB . 6710 1 263 . 1 1 74 74 ARG H H 1 8.45 0.02 . 1 . . . . 397 ARG H . 6710 1 264 . 1 1 74 74 ARG HA H 1 4.07 0.02 . 1 . . . . 397 ARG HA . 6710 1 265 . 1 1 74 74 ARG C C 13 176.74 0.2 . 1 . . . . 397 ARG C . 6710 1 266 . 1 1 74 74 ARG CA C 13 57.97 0.2 . 1 . . . . 397 ARG CA . 6710 1 267 . 1 1 74 74 ARG CB C 13 30.31 0.2 . 1 . . . . 397 ARG CB . 6710 1 268 . 1 1 74 74 ARG N N 15 120.28 0.2 . 1 . . . . 397 ARG N . 6710 1 269 . 1 1 75 75 ASP H H 1 8.59 0.02 . 1 . . . . 398 ASP H . 6710 1 270 . 1 1 75 75 ASP HA H 1 4.46 0.02 . 1 . . . . 398 ASP HA . 6710 1 271 . 1 1 75 75 ASP C C 13 174.89 0.2 . 1 . . . . 398 ASP C . 6710 1 272 . 1 1 75 75 ASP CA C 13 54.9 0.2 . 1 . . . . 398 ASP CA . 6710 1 273 . 1 1 75 75 ASP CB C 13 39.9 0.2 . 1 . . . . 398 ASP CB . 6710 1 274 . 1 1 75 75 ASP N N 15 117.42 0.2 . 1 . . . . 398 ASP N . 6710 1 275 . 1 1 76 76 SER H H 1 7.61 0.02 . 1 . . . . 399 SER H . 6710 1 276 . 1 1 76 76 SER HA H 1 4.55 0.02 . 1 . . . . 399 SER HA . 6710 1 277 . 1 1 76 76 SER CA C 13 56.94 0.2 . 1 . . . . 399 SER CA . 6710 1 278 . 1 1 76 76 SER CB C 13 65.11 0.2 . 1 . . . . 399 SER CB . 6710 1 279 . 1 1 76 76 SER N N 15 112.48 0.2 . 1 . . . . 399 SER N . 6710 1 280 . 1 1 77 77 ASN HA H 1 4.66 0.02 . 1 . . . . 400 ASN HA . 6710 1 281 . 1 1 77 77 ASN C C 13 174.95 0.2 . 1 . . . . 400 ASN C . 6710 1 282 . 1 1 77 77 ASN CA C 13 53.27 0.2 . 1 . . . . 400 ASN CA . 6710 1 283 . 1 1 77 77 ASN CB C 13 39.14 0.2 . 1 . . . . 400 ASN CB . 6710 1 284 . 1 1 78 78 GLU H H 1 7.91 0.02 . 1 . . . . 401 GLU H . 6710 1 285 . 1 1 78 78 GLU HA H 1 4.22 0.02 . 1 . . . . 401 GLU HA . 6710 1 286 . 1 1 78 78 GLU C C 13 174.55 0.2 . 1 . . . . 401 GLU C . 6710 1 287 . 1 1 78 78 GLU CA C 13 55.46 0.2 . 1 . . . . 401 GLU CA . 6710 1 288 . 1 1 78 78 GLU CB C 13 31.4 0.2 . 1 . . . . 401 GLU CB . 6710 1 289 . 1 1 78 78 GLU N N 15 120.18 0.2 . 1 . . . . 401 GLU N . 6710 1 290 . 1 1 79 79 LEU H H 1 7.94 0.02 . 1 . . . . 402 LEU H . 6710 1 291 . 1 1 79 79 LEU HA H 1 4.24 0.02 . 1 . . . . 402 LEU HA . 6710 1 292 . 1 1 79 79 LEU C C 13 177.23 0.2 . 1 . . . . 402 LEU C . 6710 1 293 . 1 1 79 79 LEU CA C 13 54.08 0.2 . 1 . . . . 402 LEU CA . 6710 1 294 . 1 1 79 79 LEU CB C 13 42.69 0.2 . 1 . . . . 402 LEU CB . 6710 1 295 . 1 1 79 79 LEU N N 15 120.17 0.2 . 1 . . . . 402 LEU N . 6710 1 296 . 1 1 80 80 VAL H H 1 8.91 0.02 . 1 . . . . 403 VAL H . 6710 1 297 . 1 1 80 80 VAL HA H 1 4.48 0.02 . 1 . . . . 403 VAL HA . 6710 1 298 . 1 1 80 80 VAL CA C 13 58.66 0.2 . 1 . . . . 403 VAL CA . 6710 1 299 . 1 1 80 80 VAL CB C 13 34.14 0.2 . 1 . . . . 403 VAL CB . 6710 1 300 . 1 1 80 80 VAL N N 15 122.77 0.2 . 1 . . . . 403 VAL N . 6710 1 301 . 1 1 81 81 PRO HA H 1 4.6 0.02 . 1 . . . . 404 PRO HA . 6710 1 302 . 1 1 81 81 PRO C C 13 177.2 0.2 . 1 . . . . 404 PRO C . 6710 1 303 . 1 1 81 81 PRO CA C 13 63.26 0.2 . 1 . . . . 404 PRO CA . 6710 1 304 . 1 1 81 81 PRO CB C 13 32.32 0.2 . 1 . . . . 404 PRO CB . 6710 1 305 . 1 1 82 82 LEU H H 1 9.07 0.02 . 1 . . . . 405 LEU H . 6710 1 306 . 1 1 82 82 LEU HA H 1 4.37 0.02 . 1 . . . . 405 LEU HA . 6710 1 307 . 1 1 82 82 LEU C C 13 174.19 0.2 . 1 . . . . 405 LEU C . 6710 1 308 . 1 1 82 82 LEU CA C 13 54.05 0.2 . 1 . . . . 405 LEU CA . 6710 1 309 . 1 1 82 82 LEU CB C 13 44.6 0.2 . 1 . . . . 405 LEU CB . 6710 1 310 . 1 1 82 82 LEU N N 15 126.66 0.2 . 1 . . . . 405 LEU N . 6710 1 311 . 1 1 83 83 SER H H 1 7.75 0.02 . 1 . . . . 406 SER H . 6710 1 312 . 1 1 83 83 SER HA H 1 3.29 0.02 . 1 . . . . 406 SER HA . 6710 1 313 . 1 1 83 83 SER C C 13 173.62 0.2 . 1 . . . . 406 SER C . 6710 1 314 . 1 1 83 83 SER CA C 13 55.89 0.2 . 1 . . . . 406 SER CA . 6710 1 315 . 1 1 83 83 SER CB C 13 66.87 0.2 . 1 . . . . 406 SER CB . 6710 1 316 . 1 1 83 83 SER N N 15 120.03 0.2 . 1 . . . . 406 SER N . 6710 1 317 . 1 1 84 84 GLU H H 1 8.93 0.02 . 1 . . . . 407 GLU H . 6710 1 318 . 1 1 84 84 GLU CA C 13 59.6 0.2 . 1 . . . . 407 GLU CA . 6710 1 319 . 1 1 84 84 GLU CB C 13 29.3 0.2 . 1 . . . . 407 GLU CB . 6710 1 320 . 1 1 84 84 GLU N N 15 119.97 0.2 . 1 . . . . 407 GLU N . 6710 1 321 . 1 1 85 85 ASP HA H 1 4.57 0.02 . 1 . . . . 408 ASP HA . 6710 1 322 . 1 1 85 85 ASP C C 13 177.17 0.2 . 1 . . . . 408 ASP C . 6710 1 323 . 1 1 85 85 ASP CA C 13 56.3 0.2 . 1 . . . . 408 ASP CA . 6710 1 324 . 1 1 85 85 ASP CB C 13 41.39 0.2 . 1 . . . . 408 ASP CB . 6710 1 325 . 1 1 86 86 SER H H 1 7.68 0.02 . 1 . . . . 409 SER H . 6710 1 326 . 1 1 86 86 SER HA H 1 4.73 0.02 . 1 . . . . 409 SER HA . 6710 1 327 . 1 1 86 86 SER C C 13 175.41 0.2 . 1 . . . . 409 SER C . 6710 1 328 . 1 1 86 86 SER CA C 13 57.83 0.2 . 1 . . . . 409 SER CA . 6710 1 329 . 1 1 86 86 SER CB C 13 65 0.2 . 1 . . . . 409 SER CB . 6710 1 330 . 1 1 86 86 SER N N 15 112.73 0.2 . 1 . . . . 409 SER N . 6710 1 331 . 1 1 87 87 MET H H 1 7.57 0.02 . 1 . . . . 410 MET H . 6710 1 332 . 1 1 87 87 MET HA H 1 4.1 0.02 . 1 . . . . 410 MET HA . 6710 1 333 . 1 1 87 87 MET C C 13 177.3 0.2 . 1 . . . . 410 MET C . 6710 1 334 . 1 1 87 87 MET CA C 13 57.89 0.2 . 1 . . . . 410 MET CA . 6710 1 335 . 1 1 87 87 MET CB C 13 35.43 0.2 . 1 . . . . 410 MET CB . 6710 1 336 . 1 1 87 87 MET N N 15 123.81 0.2 . 1 . . . . 410 MET N . 6710 1 337 . 1 1 88 88 LYS H H 1 8.38 0.02 . 1 . . . . 411 LYS H . 6710 1 338 . 1 1 88 88 LYS HA H 1 4.19 0.02 . 1 . . . . 411 LYS HA . 6710 1 339 . 1 1 88 88 LYS C C 13 179.63 0.2 . 1 . . . . 411 LYS C . 6710 1 340 . 1 1 88 88 LYS CA C 13 60.1 0.2 . 1 . . . . 411 LYS CA . 6710 1 341 . 1 1 88 88 LYS CB C 13 31.66 0.2 . 1 . . . . 411 LYS CB . 6710 1 342 . 1 1 88 88 LYS N N 15 116.46 0.2 . 1 . . . . 411 LYS N . 6710 1 343 . 1 1 89 89 ASP H H 1 7.72 0.02 . 1 . . . . 412 ASP H . 6710 1 344 . 1 1 89 89 ASP HA H 1 4.42 0.02 . 1 . . . . 412 ASP HA . 6710 1 345 . 1 1 89 89 ASP C C 13 178.55 0.2 . 1 . . . . 412 ASP C . 6710 1 346 . 1 1 89 89 ASP CA C 13 57.3 0.2 . 1 . . . . 412 ASP CA . 6710 1 347 . 1 1 89 89 ASP CB C 13 41.08 0.2 . 1 . . . . 412 ASP CB . 6710 1 348 . 1 1 89 89 ASP N N 15 121.59 0.2 . 1 . . . . 412 ASP N . 6710 1 349 . 1 1 90 90 ALA H H 1 7.91 0.02 . 1 . . . . 413 ALA H . 6710 1 350 . 1 1 90 90 ALA HA H 1 3.46 0.02 . 1 . . . . 413 ALA HA . 6710 1 351 . 1 1 90 90 ALA C C 13 180.51 0.2 . 1 . . . . 413 ALA C . 6710 1 352 . 1 1 90 90 ALA CA C 13 55.86 0.2 . 1 . . . . 413 ALA CA . 6710 1 353 . 1 1 90 90 ALA CB C 13 16.8 0.2 . 1 . . . . 413 ALA CB . 6710 1 354 . 1 1 90 90 ALA N N 15 122.75 0.2 . 1 . . . . 413 ALA N . 6710 1 355 . 1 1 91 91 TRP H H 1 8.27 0.02 . 1 . . . . 414 TRP H . 6710 1 356 . 1 1 91 91 TRP HA H 1 4.61 0.02 . 1 . . . . 414 TRP HA . 6710 1 357 . 1 1 91 91 TRP C C 13 179.55 0.2 . 1 . . . . 414 TRP C . 6710 1 358 . 1 1 91 91 TRP CA C 13 60.12 0.2 . 1 . . . . 414 TRP CA . 6710 1 359 . 1 1 91 91 TRP CB C 13 29.79 0.2 . 1 . . . . 414 TRP CB . 6710 1 360 . 1 1 91 91 TRP N N 15 115.61 0.2 . 1 . . . . 414 TRP N . 6710 1 361 . 1 1 92 92 GLY H H 1 7.97 0.02 . 1 . . . . 415 GLY H . 6710 1 362 . 1 1 92 92 GLY C C 13 175.09 0.2 . 1 . . . . 415 GLY C . 6710 1 363 . 1 1 92 92 GLY CA C 13 46.23 0.2 . 1 . . . . 415 GLY CA . 6710 1 364 . 1 1 92 92 GLY N N 15 106.11 0.2 . 1 . . . . 415 GLY N . 6710 1 365 . 1 1 93 93 GLN H H 1 7.87 0.02 . 1 . . . . 416 GLN H . 6710 1 366 . 1 1 93 93 GLN HA H 1 4.62 0.02 . 1 . . . . 416 GLN HA . 6710 1 367 . 1 1 93 93 GLN C C 13 176.36 0.2 . 1 . . . . 416 GLN C . 6710 1 368 . 1 1 93 93 GLN CA C 13 54.13 0.2 . 1 . . . . 416 GLN CA . 6710 1 369 . 1 1 93 93 GLN CB C 13 28.22 0.2 . 1 . . . . 416 GLN CB . 6710 1 370 . 1 1 93 93 GLN N N 15 117.09 0.2 . 1 . . . . 416 GLN N . 6710 1 371 . 1 1 94 94 VAL H H 1 7.2 0.02 . 1 . . . . 417 VAL H . 6710 1 372 . 1 1 94 94 VAL HA H 1 4 0.02 . 1 . . . . 417 VAL HA . 6710 1 373 . 1 1 94 94 VAL CA C 13 63.98 0.2 . 1 . . . . 417 VAL CA . 6710 1 374 . 1 1 94 94 VAL CB C 13 32.55 0.2 . 1 . . . . 417 VAL CB . 6710 1 375 . 1 1 94 94 VAL N N 15 119.32 0.2 . 1 . . . . 417 VAL N . 6710 1 376 . 1 1 96 96 ASN HA H 1 4.15 0.02 . 1 . . . . 419 ASN HA . 6710 1 377 . 1 1 96 96 ASN C C 13 174.44 0.2 . 1 . . . . 419 ASN C . 6710 1 378 . 1 1 96 96 ASN CA C 13 54.18 0.2 . 1 . . . . 419 ASN CA . 6710 1 379 . 1 1 96 96 ASN CB C 13 37.5 0.2 . 1 . . . . 419 ASN CB . 6710 1 380 . 1 1 97 97 TYR H H 1 8.2 0.02 . 1 . . . . 420 TYR H . 6710 1 381 . 1 1 97 97 TYR HA H 1 3.13 0.02 . 1 . . . . 420 TYR HA . 6710 1 382 . 1 1 97 97 TYR C C 13 172.76 0.2 . 1 . . . . 420 TYR C . 6710 1 383 . 1 1 97 97 TYR CA C 13 60.28 0.2 . 1 . . . . 420 TYR CA . 6710 1 384 . 1 1 97 97 TYR CB C 13 35.3 0.2 . 1 . . . . 420 TYR CB . 6710 1 385 . 1 1 97 97 TYR N N 15 108.4 0.2 . 1 . . . . 420 TYR N . 6710 1 386 . 1 1 98 98 CYS H H 1 7.51 0.02 . 1 . . . . 421 CYS H . 6710 1 387 . 1 1 98 98 CYS HA H 1 5.58 0.02 . 1 . . . . 421 CYS HA . 6710 1 388 . 1 1 98 98 CYS C C 13 174.54 0.2 . 1 . . . . 421 CYS C . 6710 1 389 . 1 1 98 98 CYS CA C 13 56.65 0.2 . 1 . . . . 421 CYS CA . 6710 1 390 . 1 1 98 98 CYS CB C 13 29.38 0.2 . 1 . . . . 421 CYS CB . 6710 1 391 . 1 1 98 98 CYS N N 15 118.62 0.2 . 1 . . . . 421 CYS N . 6710 1 392 . 1 1 99 99 LEU H H 1 9.05 0.02 . 1 . . . . 422 LEU H . 6710 1 393 . 1 1 99 99 LEU HA H 1 4.75 0.02 . 1 . . . . 422 LEU HA . 6710 1 394 . 1 1 99 99 LEU C C 13 174.06 0.2 . 1 . . . . 422 LEU C . 6710 1 395 . 1 1 99 99 LEU CA C 13 53.61 0.2 . 1 . . . . 422 LEU CA . 6710 1 396 . 1 1 99 99 LEU CB C 13 43.1 0.2 . 1 . . . . 422 LEU CB . 6710 1 397 . 1 1 99 99 LEU N N 15 134.41 0.2 . 1 . . . . 422 LEU N . 6710 1 398 . 1 1 100 100 THR H H 1 8.4 0.02 . 1 . . . . 423 THR H . 6710 1 399 . 1 1 100 100 THR HA H 1 5.03 0.02 . 1 . . . . 423 THR HA . 6710 1 400 . 1 1 100 100 THR C C 13 172.51 0.2 . 1 . . . . 423 THR C . 6710 1 401 . 1 1 100 100 THR CA C 13 62.12 0.2 . 1 . . . . 423 THR CA . 6710 1 402 . 1 1 100 100 THR CB C 13 69.3 0.2 . 1 . . . . 423 THR CB . 6710 1 403 . 1 1 100 100 THR N N 15 124.81 0.2 . 1 . . . . 423 THR N . 6710 1 404 . 1 1 101 101 LEU H H 1 8.94 0.02 . 1 . . . . 424 LEU H . 6710 1 405 . 1 1 101 101 LEU HA H 1 5.38 0.02 . 1 . . . . 424 LEU HA . 6710 1 406 . 1 1 101 101 LEU C C 13 174.58 0.2 . 1 . . . . 424 LEU C . 6710 1 407 . 1 1 101 101 LEU CA C 13 52.41 0.2 . 1 . . . . 424 LEU CA . 6710 1 408 . 1 1 101 101 LEU CB C 13 47.4 0.2 . 1 . . . . 424 LEU CB . 6710 1 409 . 1 1 101 101 LEU N N 15 123.57 0.2 . 1 . . . . 424 LEU N . 6710 1 410 . 1 1 102 102 TRP H H 1 9.08 0.02 . 1 . . . . 425 TRP H . 6710 1 411 . 1 1 102 102 TRP HA H 1 4.97 0.02 . 1 . . . . 425 TRP HA . 6710 1 412 . 1 1 102 102 TRP C C 13 174.97 0.2 . 1 . . . . 425 TRP C . 6710 1 413 . 1 1 102 102 TRP CA C 13 58.48 0.2 . 1 . . . . 425 TRP CA . 6710 1 414 . 1 1 102 102 TRP CB C 13 32.9 0.2 . 1 . . . . 425 TRP CB . 6710 1 415 . 1 1 102 102 TRP N N 15 121.75 0.2 . 1 . . . . 425 TRP N . 6710 1 416 . 1 1 103 103 CYS H H 1 8.65 0.02 . 1 . . . . 426 CYS H . 6710 1 417 . 1 1 103 103 CYS HA H 1 5.34 0.02 . 1 . . . . 426 CYS HA . 6710 1 418 . 1 1 103 103 CYS C C 13 173.41 0.2 . 1 . . . . 426 CYS C . 6710 1 419 . 1 1 103 103 CYS CA C 13 56.8 0.2 . 1 . . . . 426 CYS CA . 6710 1 420 . 1 1 103 103 CYS CB C 13 28.96 0.2 . 1 . . . . 426 CYS CB . 6710 1 421 . 1 1 103 103 CYS N N 15 122.51 0.2 . 1 . . . . 426 CYS N . 6710 1 422 . 1 1 104 104 GLU H H 1 8.53 0.02 . 1 . . . . 427 GLU H . 6710 1 423 . 1 1 104 104 GLU HA H 1 4.43 0.02 . 1 . . . . 427 GLU HA . 6710 1 424 . 1 1 104 104 GLU C C 13 174.62 0.2 . 1 . . . . 427 GLU C . 6710 1 425 . 1 1 104 104 GLU CA C 13 57.37 0.2 . 1 . . . . 427 GLU CA . 6710 1 426 . 1 1 104 104 GLU CB C 13 31.86 0.2 . 1 . . . . 427 GLU CB . 6710 1 427 . 1 1 104 104 GLU N N 15 129.91 0.2 . 1 . . . . 427 GLU N . 6710 1 428 . 1 1 105 105 ASN H H 1 8.32 0.02 . 1 . . . . 428 ASN H . 6710 1 429 . 1 1 105 105 ASN HA H 1 4.71 0.02 . 1 . . . . 428 ASN HA . 6710 1 430 . 1 1 105 105 ASN CA C 13 54.92 0.2 . 1 . . . . 428 ASN CA . 6710 1 431 . 1 1 105 105 ASN CB C 13 41.13 0.2 . 1 . . . . 428 ASN CB . 6710 1 432 . 1 1 105 105 ASN N N 15 124.86 0.2 . 1 . . . . 428 ASN N . 6710 1 stop_ save_