data_50103 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50103 _Entry.Title ; Nipah virus phosphoprotein residues 387-479 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-29 _Entry.Accession_date 2019-11-29 _Entry.Last_release_date 2019-12-02 _Entry.Original_release_date 2019-12-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Malene Jensen . . . . 50103 2 Martin Blackledge . . . . 50103 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institut de Biologie Structurale, Grenoble, France' . 50103 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50103 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 253 50103 '15N chemical shifts' 77 50103 '1H chemical shifts' 77 50103 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-05-29 2019-11-29 update BMRB 'update entry citation' 50103 1 . . 2020-01-10 2019-11-29 original author 'original release' 50103 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50098 'Nipah virus phosphoprotein residues 1-100' 50103 BMRB 50099 'Nipah virus phosphoprotein residues 91-190' 50103 BMRB 50100 'Nipah virus phosphoprotein residues 173-240' 50103 BMRB 50101 'Nipah virus phosphoprotein residues 223-319' 50103 BMRB 50102 'Nipah virus phosphoprotein residues 299-401' 50103 BMRB 50105 'Nipah virus phosphoprotein residues 588-650' 50103 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50103 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32348724 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Description of the Nipah Virus Phosphoprotein and Its Interaction With STAT1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full 'Biophysical journal' _Citation.Journal_volume 118 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 2470 _Citation.Page_last 2488 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Malene Ringkjybing' Jensen M. R. . . 50103 1 2 Filip Yabukarski F. . . . 50103 1 3 Guillaume Communie G. . . . 50103 1 4 Eric Condamine E. . . . 50103 1 5 Caroline Mas C. . . . 50103 1 6 Valentina Volchkova V. . . . 50103 1 7 Nicolas Tarbouriech N. . . . 50103 1 8 Jean-Marie Bourhis J. M. . . 50103 1 9 Viktor Volchkov V. . . . 50103 1 10 Martin Blackledge M. . . . 50103 1 11 Marc Jamin M. . . . 50103 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50103 _Assembly.ID 1 _Assembly.Name 'Nipah virus phosphoprotein residues 387-479' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Nipah virus phosphoprotein' 1 $entity_1 . . yes native no no . . . 50103 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50103 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADRQRPGTPMPKSRGIPIK KGTDAKYPSAGTENVPGSKS GATRHVRGSPPYQEGKSVNA ENVQLNASTAVKETDKSEVN PVDDNDSLDDKYIMLEHHHH HH ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 386 MET . 50103 1 2 387 ALA . 50103 1 3 388 ASP . 50103 1 4 389 ARG . 50103 1 5 390 GLN . 50103 1 6 391 ARG . 50103 1 7 392 PRO . 50103 1 8 393 GLY . 50103 1 9 394 THR . 50103 1 10 395 PRO . 50103 1 11 396 MET . 50103 1 12 397 PRO . 50103 1 13 398 LYS . 50103 1 14 399 SER . 50103 1 15 400 ARG . 50103 1 16 401 GLY . 50103 1 17 402 ILE . 50103 1 18 403 PRO . 50103 1 19 404 ILE . 50103 1 20 405 LYS . 50103 1 21 406 LYS . 50103 1 22 407 GLY . 50103 1 23 408 THR . 50103 1 24 409 ASP . 50103 1 25 410 ALA . 50103 1 26 411 LYS . 50103 1 27 412 TYR . 50103 1 28 413 PRO . 50103 1 29 414 SER . 50103 1 30 415 ALA . 50103 1 31 416 GLY . 50103 1 32 417 THR . 50103 1 33 418 GLU . 50103 1 34 419 ASN . 50103 1 35 420 VAL . 50103 1 36 421 PRO . 50103 1 37 422 GLY . 50103 1 38 423 SER . 50103 1 39 424 LYS . 50103 1 40 425 SER . 50103 1 41 426 GLY . 50103 1 42 427 ALA . 50103 1 43 428 THR . 50103 1 44 429 ARG . 50103 1 45 430 HIS . 50103 1 46 431 VAL . 50103 1 47 432 ARG . 50103 1 48 433 GLY . 50103 1 49 434 SER . 50103 1 50 435 PRO . 50103 1 51 436 PRO . 50103 1 52 437 TYR . 50103 1 53 438 GLN . 50103 1 54 439 GLU . 50103 1 55 440 GLY . 50103 1 56 441 LYS . 50103 1 57 442 SER . 50103 1 58 443 VAL . 50103 1 59 444 ASN . 50103 1 60 445 ALA . 50103 1 61 446 GLU . 50103 1 62 447 ASN . 50103 1 63 448 VAL . 50103 1 64 449 GLN . 50103 1 65 450 LEU . 50103 1 66 451 ASN . 50103 1 67 452 ALA . 50103 1 68 453 SER . 50103 1 69 454 THR . 50103 1 70 455 ALA . 50103 1 71 456 VAL . 50103 1 72 457 LYS . 50103 1 73 458 GLU . 50103 1 74 459 THR . 50103 1 75 460 ASP . 50103 1 76 461 LYS . 50103 1 77 462 SER . 50103 1 78 463 GLU . 50103 1 79 464 VAL . 50103 1 80 465 ASN . 50103 1 81 466 PRO . 50103 1 82 467 VAL . 50103 1 83 468 ASP . 50103 1 84 469 ASP . 50103 1 85 470 ASN . 50103 1 86 471 ASP . 50103 1 87 472 SER . 50103 1 88 473 LEU . 50103 1 89 474 ASP . 50103 1 90 475 ASP . 50103 1 91 476 LYS . 50103 1 92 477 TYR . 50103 1 93 478 ILE . 50103 1 94 479 MET . 50103 1 95 480 LEU . 50103 1 96 481 GLU . 50103 1 97 482 HIS . 50103 1 98 483 HIS . 50103 1 99 484 HIS . 50103 1 100 485 HIS . 50103 1 101 486 HIS . 50103 1 102 487 HIS . 50103 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 50103 1 . ALA 2 2 50103 1 . ASP 3 3 50103 1 . ARG 4 4 50103 1 . GLN 5 5 50103 1 . ARG 6 6 50103 1 . PRO 7 7 50103 1 . GLY 8 8 50103 1 . THR 9 9 50103 1 . PRO 10 10 50103 1 . MET 11 11 50103 1 . PRO 12 12 50103 1 . LYS 13 13 50103 1 . SER 14 14 50103 1 . ARG 15 15 50103 1 . GLY 16 16 50103 1 . ILE 17 17 50103 1 . PRO 18 18 50103 1 . ILE 19 19 50103 1 . LYS 20 20 50103 1 . LYS 21 21 50103 1 . GLY 22 22 50103 1 . THR 23 23 50103 1 . ASP 24 24 50103 1 . ALA 25 25 50103 1 . LYS 26 26 50103 1 . TYR 27 27 50103 1 . PRO 28 28 50103 1 . SER 29 29 50103 1 . ALA 30 30 50103 1 . GLY 31 31 50103 1 . THR 32 32 50103 1 . GLU 33 33 50103 1 . ASN 34 34 50103 1 . VAL 35 35 50103 1 . PRO 36 36 50103 1 . GLY 37 37 50103 1 . SER 38 38 50103 1 . LYS 39 39 50103 1 . SER 40 40 50103 1 . GLY 41 41 50103 1 . ALA 42 42 50103 1 . THR 43 43 50103 1 . ARG 44 44 50103 1 . HIS 45 45 50103 1 . VAL 46 46 50103 1 . ARG 47 47 50103 1 . GLY 48 48 50103 1 . SER 49 49 50103 1 . PRO 50 50 50103 1 . PRO 51 51 50103 1 . TYR 52 52 50103 1 . GLN 53 53 50103 1 . GLU 54 54 50103 1 . GLY 55 55 50103 1 . LYS 56 56 50103 1 . SER 57 57 50103 1 . VAL 58 58 50103 1 . ASN 59 59 50103 1 . ALA 60 60 50103 1 . GLU 61 61 50103 1 . ASN 62 62 50103 1 . VAL 63 63 50103 1 . GLN 64 64 50103 1 . LEU 65 65 50103 1 . ASN 66 66 50103 1 . ALA 67 67 50103 1 . SER 68 68 50103 1 . THR 69 69 50103 1 . ALA 70 70 50103 1 . VAL 71 71 50103 1 . LYS 72 72 50103 1 . GLU 73 73 50103 1 . THR 74 74 50103 1 . ASP 75 75 50103 1 . LYS 76 76 50103 1 . SER 77 77 50103 1 . GLU 78 78 50103 1 . VAL 79 79 50103 1 . ASN 80 80 50103 1 . PRO 81 81 50103 1 . VAL 82 82 50103 1 . ASP 83 83 50103 1 . ASP 84 84 50103 1 . ASN 85 85 50103 1 . ASP 86 86 50103 1 . SER 87 87 50103 1 . LEU 88 88 50103 1 . ASP 89 89 50103 1 . ASP 90 90 50103 1 . LYS 91 91 50103 1 . TYR 92 92 50103 1 . ILE 93 93 50103 1 . MET 94 94 50103 1 . LEU 95 95 50103 1 . GLU 96 96 50103 1 . HIS 97 97 50103 1 . HIS 98 98 50103 1 . HIS 99 99 50103 1 . HIS 100 100 50103 1 . HIS 101 101 50103 1 . HIS 102 102 50103 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50103 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 121791 virus . 'Nipah virus' 'Nipah virus' . . Virus . henipavirus 'Nipah virus' . . . . . . . . . . . . . 50103 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50103 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 50103 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50103 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50103 1 2 'Bis-Tris ph 6.0' 'natural abundance' . . . . . . 20 . . mM . . . . 50103 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50103 1 4 Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 50103 1 5 glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 50103 1 6 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 50103 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50103 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 50103 1 pH 6.0 . pH 50103 1 pressure 1 . atm 50103 1 temperature 298 . K 50103 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50103 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 50103 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 50103 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50103 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50103 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50103 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50103 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50103 1 4 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50103 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50103 1 6 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50103 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50103 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50103 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.774 internal indirect 0.251449530 . . . . . 50103 1 H 1 water protons . . . . ppm 4.774 internal direct 1 . . . . . 50103 1 N 15 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 50103 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50103 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50103 1 2 '3D HNCO' . . . 50103 1 3 '3D HNCACO' . . . 50103 1 4 '3D HNCOCA' . . . 50103 1 5 '3D HNCA' . . . 50103 1 6 '3D HNCOCACB' . . . 50103 1 7 '3D HNCACB' . . . 50103 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ASP C C 13 176.050 . . 1 . . . . . 388 D CO . 50103 1 2 . 1 . 1 3 3 ASP CA C 13 54.397 . . 1 . . . . . 388 D CA . 50103 1 3 . 1 . 1 3 3 ASP CB C 13 41.460 . . 1 . . . . . 388 D CB . 50103 1 4 . 1 . 1 4 4 ARG H H 1 8.478 . . 1 . . . . . 389 R HN . 50103 1 5 . 1 . 1 4 4 ARG C C 13 176.207 . . 1 . . . . . 389 R CO . 50103 1 6 . 1 . 1 4 4 ARG CA C 13 56.174 . . 1 . . . . . 389 R CA . 50103 1 7 . 1 . 1 4 4 ARG CB C 13 30.813 . . 1 . . . . . 389 R CB . 50103 1 8 . 1 . 1 4 4 ARG N N 15 121.682 . . 1 . . . . . 389 R N . 50103 1 9 . 1 . 1 5 5 GLN H H 1 8.486 . . 1 . . . . . 390 Q HN . 50103 1 10 . 1 . 1 5 5 GLN C C 13 175.781 . . 1 . . . . . 390 Q CO . 50103 1 11 . 1 . 1 5 5 GLN CA C 13 55.875 . . 1 . . . . . 390 Q CA . 50103 1 12 . 1 . 1 5 5 GLN CB C 13 29.515 . . 1 . . . . . 390 Q CB . 50103 1 13 . 1 . 1 5 5 GLN N N 15 121.650 . . 1 . . . . . 390 Q N . 50103 1 14 . 1 . 1 6 6 ARG H H 1 8.434 . . 1 . . . . . 391 R HN . 50103 1 15 . 1 . 1 6 6 ARG C C 13 174.287 . . 1 . . . . . 391 R CO . 50103 1 16 . 1 . 1 6 6 ARG CA C 13 54.084 . . 1 . . . . . 391 R CA . 50103 1 17 . 1 . 1 6 6 ARG CB C 13 30.159 . . 1 . . . . . 391 R CB . 50103 1 18 . 1 . 1 6 6 ARG N N 15 123.835 . . 1 . . . . . 391 R N . 50103 1 19 . 1 . 1 7 7 PRO C C 13 177.469 . . 1 . . . . . 392 P CO . 50103 1 20 . 1 . 1 7 7 PRO CA C 13 63.458 . . 1 . . . . . 392 P CA . 50103 1 21 . 1 . 1 7 7 PRO CB C 13 32.073 . . 1 . . . . . 392 P CB . 50103 1 22 . 1 . 1 8 8 GLY H H 1 8.533 . . 1 . . . . . 393 G HN . 50103 1 23 . 1 . 1 8 8 GLY C C 13 174.082 . . 1 . . . . . 393 G CO . 50103 1 24 . 1 . 1 8 8 GLY CA C 13 45.134 . . 1 . . . . . 393 G CA . 50103 1 25 . 1 . 1 8 8 GLY N N 15 109.585 . . 1 . . . . . 393 G N . 50103 1 26 . 1 . 1 9 9 THR H H 1 8.013 . . 1 . . . . . 394 T HN . 50103 1 27 . 1 . 1 9 9 THR C C 13 172.759 . . 1 . . . . . 394 T CO . 50103 1 28 . 1 . 1 9 9 THR CA C 13 59.987 . . 1 . . . . . 394 T CA . 50103 1 29 . 1 . 1 9 9 THR CB C 13 69.933 . . 1 . . . . . 394 T CB . 50103 1 30 . 1 . 1 9 9 THR N N 15 116.638 . . 1 . . . . . 394 T N . 50103 1 31 . 1 . 1 10 10 PRO C C 13 176.677 . . 1 . . . . . 395 P CO . 50103 1 32 . 1 . 1 10 10 PRO CA C 13 63.116 . . 1 . . . . . 395 P CA . 50103 1 33 . 1 . 1 10 10 PRO CB C 13 32.148 . . 1 . . . . . 395 P CB . 50103 1 34 . 1 . 1 11 11 MET H H 1 8.474 . . 1 . . . . . 396 M HN . 50103 1 35 . 1 . 1 11 11 MET C C 13 174.405 . . 1 . . . . . 396 M CO . 50103 1 36 . 1 . 1 11 11 MET CA C 13 53.311 . . 1 . . . . . 396 M CA . 50103 1 37 . 1 . 1 11 11 MET CB C 13 32.546 . . 1 . . . . . 396 M CB . 50103 1 38 . 1 . 1 11 11 MET N N 15 122.419 . . 1 . . . . . 396 M N . 50103 1 39 . 1 . 1 12 12 PRO C C 13 176.815 . . 1 . . . . . 397 P CO . 50103 1 40 . 1 . 1 12 12 PRO CA C 13 63.127 . . 1 . . . . . 397 P CA . 50103 1 41 . 1 . 1 12 12 PRO CB C 13 32.131 . . 1 . . . . . 397 P CB . 50103 1 42 . 1 . 1 13 13 LYS H H 1 8.449 . . 1 . . . . . 398 K HN . 50103 1 43 . 1 . 1 13 13 LYS C C 13 176.722 . . 1 . . . . . 398 K CO . 50103 1 44 . 1 . 1 13 13 LYS CA C 13 56.360 . . 1 . . . . . 398 K CA . 50103 1 45 . 1 . 1 13 13 LYS CB C 13 33.199 . . 1 . . . . . 398 K CB . 50103 1 46 . 1 . 1 13 13 LYS N N 15 121.820 . . 1 . . . . . 398 K N . 50103 1 47 . 1 . 1 18 18 PRO C C 13 176.648 . . 1 . . . . . 403 P CO . 50103 1 48 . 1 . 1 18 18 PRO CA C 13 63.226 . . 1 . . . . . 403 P CA . 50103 1 49 . 1 . 1 18 18 PRO CB C 13 32.053 . . 1 . . . . . 403 P CB . 50103 1 50 . 1 . 1 19 19 ILE H H 1 8.210 . . 1 . . . . . 404 I HN . 50103 1 51 . 1 . 1 19 19 ILE C C 13 176.285 . . 1 . . . . . 404 I CO . 50103 1 52 . 1 . 1 19 19 ILE CA C 13 61.052 . . 1 . . . . . 404 I CA . 50103 1 53 . 1 . 1 19 19 ILE CB C 13 38.901 . . 1 . . . . . 404 I CB . 50103 1 54 . 1 . 1 19 19 ILE N N 15 121.852 . . 1 . . . . . 404 I N . 50103 1 55 . 1 . 1 20 20 LYS H H 1 8.369 . . 1 . . . . . 405 K HN . 50103 1 56 . 1 . 1 20 20 LYS C C 13 176.215 . . 1 . . . . . 405 K CO . 50103 1 57 . 1 . 1 20 20 LYS CA C 13 56.151 . . 1 . . . . . 405 K CA . 50103 1 58 . 1 . 1 20 20 LYS CB C 13 33.185 . . 1 . . . . . 405 K CB . 50103 1 59 . 1 . 1 20 20 LYS N N 15 126.226 . . 1 . . . . . 405 K N . 50103 1 60 . 1 . 1 21 21 LYS H H 1 8.459 . . 1 . . . . . 406 K HN . 50103 1 61 . 1 . 1 21 21 LYS C C 13 177.050 . . 1 . . . . . 406 K CO . 50103 1 62 . 1 . 1 21 21 LYS CA C 13 56.459 . . 1 . . . . . 406 K CA . 50103 1 63 . 1 . 1 21 21 LYS CB C 13 33.371 . . 1 . . . . . 406 K CB . 50103 1 64 . 1 . 1 21 21 LYS N N 15 124.130 . . 1 . . . . . 406 K N . 50103 1 65 . 1 . 1 22 22 GLY H H 1 8.532 . . 1 . . . . . 407 G HN . 50103 1 66 . 1 . 1 22 22 GLY C C 13 174.478 . . 1 . . . . . 407 G CO . 50103 1 67 . 1 . 1 22 22 GLY CA C 13 45.321 . . 1 . . . . . 407 G CA . 50103 1 68 . 1 . 1 22 22 GLY N N 15 110.766 . . 1 . . . . . 407 G N . 50103 1 69 . 1 . 1 23 23 THR H H 1 8.114 . . 1 . . . . . 408 T HN . 50103 1 70 . 1 . 1 23 23 THR C C 13 174.422 . . 1 . . . . . 408 T CO . 50103 1 71 . 1 . 1 23 23 THR CA C 13 61.967 . . 1 . . . . . 408 T CA . 50103 1 72 . 1 . 1 23 23 THR CB C 13 69.807 . . 1 . . . . . 408 T CB . 50103 1 73 . 1 . 1 23 23 THR N N 15 113.307 . . 1 . . . . . 408 T N . 50103 1 74 . 1 . 1 24 24 ASP H H 1 8.406 . . 1 . . . . . 409 D HN . 50103 1 75 . 1 . 1 24 24 ASP C C 13 175.899 . . 1 . . . . . 409 D CO . 50103 1 76 . 1 . 1 24 24 ASP CA C 13 54.366 . . 1 . . . . . 409 D CA . 50103 1 77 . 1 . 1 24 24 ASP CB C 13 41.279 . . 1 . . . . . 409 D CB . 50103 1 78 . 1 . 1 24 24 ASP N N 15 122.731 . . 1 . . . . . 409 D N . 50103 1 79 . 1 . 1 25 25 ALA H H 1 8.137 . . 1 . . . . . 410 A HN . 50103 1 80 . 1 . 1 25 25 ALA C C 13 177.337 . . 1 . . . . . 410 A CO . 50103 1 81 . 1 . 1 25 25 ALA CA C 13 52.640 . . 1 . . . . . 410 A CA . 50103 1 82 . 1 . 1 25 25 ALA CB C 13 19.228 . . 1 . . . . . 410 A CB . 50103 1 83 . 1 . 1 25 25 ALA N N 15 124.443 . . 1 . . . . . 410 A N . 50103 1 84 . 1 . 1 26 26 LYS H H 1 8.165 . . 1 . . . . . 411 K HN . 50103 1 85 . 1 . 1 26 26 LYS C C 13 175.962 . . 1 . . . . . 411 K CO . 50103 1 86 . 1 . 1 26 26 LYS CA C 13 56.296 . . 1 . . . . . 411 K CA . 50103 1 87 . 1 . 1 26 26 LYS CB C 13 33.155 . . 1 . . . . . 411 K CB . 50103 1 88 . 1 . 1 26 26 LYS N N 15 120.032 . . 1 . . . . . 411 K N . 50103 1 89 . 1 . 1 27 27 TYR H H 1 8.083 . . 1 . . . . . 412 Y HN . 50103 1 90 . 1 . 1 27 27 TYR C C 13 173.990 . . 1 . . . . . 412 Y CO . 50103 1 91 . 1 . 1 27 27 TYR CA C 13 55.543 . . 1 . . . . . 412 Y CA . 50103 1 92 . 1 . 1 27 27 TYR CB C 13 38.342 . . 1 . . . . . 412 Y CB . 50103 1 93 . 1 . 1 27 27 TYR N N 15 121.238 . . 1 . . . . . 412 Y N . 50103 1 94 . 1 . 1 28 28 PRO C C 13 176.998 . . 1 . . . . . 413 P CO . 50103 1 95 . 1 . 1 28 28 PRO CA C 13 63.359 . . 1 . . . . . 413 P CA . 50103 1 96 . 1 . 1 28 28 PRO CB C 13 32.069 . . 1 . . . . . 413 P CB . 50103 1 97 . 1 . 1 29 29 SER H H 1 8.369 . . 1 . . . . . 414 S HN . 50103 1 98 . 1 . 1 29 29 SER C C 13 174.515 . . 1 . . . . . 414 S CO . 50103 1 99 . 1 . 1 29 29 SER CA C 13 58.339 . . 1 . . . . . 414 S CA . 50103 1 100 . 1 . 1 29 29 SER CB C 13 63.908 . . 1 . . . . . 414 S CB . 50103 1 101 . 1 . 1 29 29 SER N N 15 116.265 . . 1 . . . . . 414 S N . 50103 1 102 . 1 . 1 30 30 ALA H H 1 8.420 . . 1 . . . . . 415 A HN . 50103 1 103 . 1 . 1 30 30 ALA C C 13 178.232 . . 1 . . . . . 415 A CO . 50103 1 104 . 1 . 1 30 30 ALA CA C 13 52.858 . . 1 . . . . . 415 A CA . 50103 1 105 . 1 . 1 30 30 ALA CB C 13 19.331 . . 1 . . . . . 415 A CB . 50103 1 106 . 1 . 1 30 30 ALA N N 15 126.157 . . 1 . . . . . 415 A N . 50103 1 107 . 1 . 1 31 31 GLY H H 1 8.446 . . 1 . . . . . 416 G HN . 50103 1 108 . 1 . 1 31 31 GLY C C 13 174.560 . . 1 . . . . . 416 G CO . 50103 1 109 . 1 . 1 31 31 GLY CA C 13 45.406 . . 1 . . . . . 416 G CA . 50103 1 110 . 1 . 1 31 31 GLY N N 15 108.347 . . 1 . . . . . 416 G N . 50103 1 111 . 1 . 1 32 32 THR H H 1 8.030 . . 1 . . . . . 417 T HN . 50103 1 112 . 1 . 1 32 32 THR C C 13 174.737 . . 1 . . . . . 417 T CO . 50103 1 113 . 1 . 1 32 32 THR CA C 13 61.876 . . 1 . . . . . 417 T CA . 50103 1 114 . 1 . 1 32 32 THR CB C 13 69.792 . . 1 . . . . . 417 T CB . 50103 1 115 . 1 . 1 32 32 THR N N 15 112.905 . . 1 . . . . . 417 T N . 50103 1 116 . 1 . 1 33 33 GLU H H 1 8.565 . . 1 . . . . . 418 E HN . 50103 1 117 . 1 . 1 33 33 GLU C C 13 176.100 . . 1 . . . . . 418 E CO . 50103 1 118 . 1 . 1 33 33 GLU CA C 13 56.713 . . 1 . . . . . 418 E CA . 50103 1 119 . 1 . 1 33 33 GLU CB C 13 30.237 . . 1 . . . . . 418 E CB . 50103 1 120 . 1 . 1 33 33 GLU N N 15 122.835 . . 1 . . . . . 418 E N . 50103 1 121 . 1 . 1 34 34 ASN H H 1 8.474 . . 1 . . . . . 419 N HN . 50103 1 122 . 1 . 1 34 34 ASN C C 13 174.727 . . 1 . . . . . 419 N CO . 50103 1 123 . 1 . 1 34 34 ASN CA C 13 53.289 . . 1 . . . . . 419 N CA . 50103 1 124 . 1 . 1 34 34 ASN CB C 13 38.984 . . 1 . . . . . 419 N CB . 50103 1 125 . 1 . 1 34 34 ASN N N 15 119.938 . . 1 . . . . . 419 N N . 50103 1 126 . 1 . 1 35 35 VAL H H 1 8.098 . . 1 . . . . . 420 V HN . 50103 1 127 . 1 . 1 35 35 VAL C C 13 174.521 . . 1 . . . . . 420 V CO . 50103 1 128 . 1 . 1 35 35 VAL CA C 13 60.045 . . 1 . . . . . 420 V CA . 50103 1 129 . 1 . 1 35 35 VAL CB C 13 32.615 . . 1 . . . . . 420 V CB . 50103 1 130 . 1 . 1 35 35 VAL N N 15 121.877 . . 1 . . . . . 420 V N . 50103 1 131 . 1 . 1 36 36 PRO C C 13 177.644 . . 1 . . . . . 421 P CO . 50103 1 132 . 1 . 1 36 36 PRO CA C 13 63.764 . . 1 . . . . . 421 P CA . 50103 1 133 . 1 . 1 36 36 PRO CB C 13 32.067 . . 1 . . . . . 421 P CB . 50103 1 134 . 1 . 1 37 37 GLY H H 1 8.553 . . 1 . . . . . 422 G HN . 50103 1 135 . 1 . 1 37 37 GLY C C 13 174.527 . . 1 . . . . . 422 G CO . 50103 1 136 . 1 . 1 37 37 GLY CA C 13 45.355 . . 1 . . . . . 422 G CA . 50103 1 137 . 1 . 1 37 37 GLY N N 15 109.900 . . 1 . . . . . 422 G N . 50103 1 138 . 1 . 1 38 38 SER H H 1 8.154 . . 1 . . . . . 423 S HN . 50103 1 139 . 1 . 1 38 38 SER C C 13 175.015 . . 1 . . . . . 423 S CO . 50103 1 140 . 1 . 1 38 38 SER CA C 13 58.625 . . 1 . . . . . 423 S CA . 50103 1 141 . 1 . 1 38 38 SER CB C 13 64.010 . . 1 . . . . . 423 S CB . 50103 1 142 . 1 . 1 38 38 SER N N 15 115.501 . . 1 . . . . . 423 S N . 50103 1 143 . 1 . 1 39 39 LYS H H 1 8.479 . . 1 . . . . . 424 K HN . 50103 1 144 . 1 . 1 39 39 LYS C C 13 176.879 . . 1 . . . . . 424 K CO . 50103 1 145 . 1 . 1 39 39 LYS CA C 13 56.492 . . 1 . . . . . 424 K CA . 50103 1 146 . 1 . 1 39 39 LYS CB C 13 32.857 . . 1 . . . . . 424 K CB . 50103 1 147 . 1 . 1 39 39 LYS N N 15 123.249 . . 1 . . . . . 424 K N . 50103 1 148 . 1 . 1 40 40 SER H H 1 8.299 . . 1 . . . . . 425 S HN . 50103 1 149 . 1 . 1 40 40 SER C C 13 175.207 . . 1 . . . . . 425 S CO . 50103 1 150 . 1 . 1 40 40 SER CA C 13 58.675 . . 1 . . . . . 425 S CA . 50103 1 151 . 1 . 1 40 40 SER CB C 13 63.867 . . 1 . . . . . 425 S CB . 50103 1 152 . 1 . 1 40 40 SER N N 15 116.569 . . 1 . . . . . 425 S N . 50103 1 153 . 1 . 1 41 41 GLY H H 1 8.427 . . 1 . . . . . 426 G HN . 50103 1 154 . 1 . 1 41 41 GLY C C 13 174.059 . . 1 . . . . . 426 G CO . 50103 1 155 . 1 . 1 41 41 GLY CA C 13 45.413 . . 1 . . . . . 426 G CA . 50103 1 156 . 1 . 1 41 41 GLY N N 15 111.118 . . 1 . . . . . 426 G N . 50103 1 157 . 1 . 1 42 42 ALA H H 1 8.138 . . 1 . . . . . 427 A HN . 50103 1 158 . 1 . 1 42 42 ALA C C 13 178.080 . . 1 . . . . . 427 A CO . 50103 1 159 . 1 . 1 42 42 ALA CA C 13 52.734 . . 1 . . . . . 427 A CA . 50103 1 160 . 1 . 1 42 42 ALA CB C 13 19.327 . . 1 . . . . . 427 A CB . 50103 1 161 . 1 . 1 42 42 ALA N N 15 123.662 . . 1 . . . . . 427 A N . 50103 1 162 . 1 . 1 43 43 THR H H 1 8.122 . . 1 . . . . . 428 T HN . 50103 1 163 . 1 . 1 43 43 THR C C 13 174.427 . . 1 . . . . . 428 T CO . 50103 1 164 . 1 . 1 43 43 THR CA C 13 61.996 . . 1 . . . . . 428 T CA . 50103 1 165 . 1 . 1 43 43 THR CB C 13 69.769 . . 1 . . . . . 428 T CB . 50103 1 166 . 1 . 1 43 43 THR N N 15 113.516 . . 1 . . . . . 428 T N . 50103 1 167 . 1 . 1 44 44 ARG H H 1 8.265 . . 1 . . . . . 429 R HN . 50103 1 168 . 1 . 1 44 44 ARG C C 13 175.842 . . 1 . . . . . 429 R CO . 50103 1 169 . 1 . 1 44 44 ARG CA C 13 56.074 . . 1 . . . . . 429 R CA . 50103 1 170 . 1 . 1 44 44 ARG CB C 13 30.972 . . 1 . . . . . 429 R CB . 50103 1 171 . 1 . 1 44 44 ARG N N 15 123.402 . . 1 . . . . . 429 R N . 50103 1 172 . 1 . 1 45 45 HIS C C 13 174.509 . . 1 . . . . . 430 H CO . 50103 1 173 . 1 . 1 45 45 HIS CA C 13 55.397 . . 1 . . . . . 430 H CA . 50103 1 174 . 1 . 1 45 45 HIS CB C 13 29.473 . . 1 . . . . . 430 H CB . 50103 1 175 . 1 . 1 46 46 VAL H H 1 8.238 . . 1 . . . . . 431 V HN . 50103 1 176 . 1 . 1 46 46 VAL C C 13 175.988 . . 1 . . . . . 431 V CO . 50103 1 177 . 1 . 1 46 46 VAL CA C 13 62.197 . . 1 . . . . . 431 V CA . 50103 1 178 . 1 . 1 46 46 VAL CB C 13 32.936 . . 1 . . . . . 431 V CB . 50103 1 179 . 1 . 1 46 46 VAL N N 15 122.401 . . 1 . . . . . 431 V N . 50103 1 180 . 1 . 1 47 47 ARG H H 1 8.539 . . 1 . . . . . 432 R HN . 50103 1 181 . 1 . 1 47 47 ARG C C 13 176.728 . . 1 . . . . . 432 R CO . 50103 1 182 . 1 . 1 47 47 ARG CA C 13 56.600 . . 1 . . . . . 432 R CA . 50103 1 183 . 1 . 1 47 47 ARG CB C 13 30.788 . . 1 . . . . . 432 R CB . 50103 1 184 . 1 . 1 47 47 ARG N N 15 125.567 . . 1 . . . . . 432 R N . 50103 1 185 . 1 . 1 48 48 GLY H H 1 8.493 . . 1 . . . . . 433 G HN . 50103 1 186 . 1 . 1 48 48 GLY C C 13 173.744 . . 1 . . . . . 433 G CO . 50103 1 187 . 1 . 1 48 48 GLY CA C 13 45.045 . . 1 . . . . . 433 G CA . 50103 1 188 . 1 . 1 48 48 GLY N N 15 110.984 . . 1 . . . . . 433 G N . 50103 1 189 . 1 . 1 49 49 SER H H 1 8.188 . . 1 . . . . . 434 S HN . 50103 1 190 . 1 . 1 49 49 SER CA C 13 56.663 . . 1 . . . . . 434 S CA . 50103 1 191 . 1 . 1 49 49 SER CB C 13 63.332 . . 1 . . . . . 434 S CB . 50103 1 192 . 1 . 1 49 49 SER N N 15 117.050 . . 1 . . . . . 434 S N . 50103 1 193 . 1 . 1 51 51 PRO C C 13 176.544 . . 1 . . . . . 436 P CO . 50103 1 194 . 1 . 1 51 51 PRO CA C 13 63.188 . . 1 . . . . . 436 P CA . 50103 1 195 . 1 . 1 51 51 PRO CB C 13 31.826 . . 1 . . . . . 436 P CB . 50103 1 196 . 1 . 1 52 52 TYR H H 1 8.114 . . 1 . . . . . 437 Y HN . 50103 1 197 . 1 . 1 52 52 TYR C C 13 175.574 . . 1 . . . . . 437 Y CO . 50103 1 198 . 1 . 1 52 52 TYR CA C 13 57.968 . . 1 . . . . . 437 Y CA . 50103 1 199 . 1 . 1 52 52 TYR CB C 13 38.744 . . 1 . . . . . 437 Y CB . 50103 1 200 . 1 . 1 52 52 TYR N N 15 120.115 . . 1 . . . . . 437 Y N . 50103 1 201 . 1 . 1 53 53 GLN H H 1 8.146 . . 1 . . . . . 438 Q HN . 50103 1 202 . 1 . 1 53 53 GLN C C 13 175.184 . . 1 . . . . . 438 Q CO . 50103 1 203 . 1 . 1 53 53 GLN CA C 13 55.419 . . 1 . . . . . 438 Q CA . 50103 1 204 . 1 . 1 53 53 GLN CB C 13 29.989 . . 1 . . . . . 438 Q CB . 50103 1 205 . 1 . 1 53 53 GLN N N 15 122.980 . . 1 . . . . . 438 Q N . 50103 1 206 . 1 . 1 54 54 GLU H H 1 8.387 . . 1 . . . . . 439 E HN . 50103 1 207 . 1 . 1 54 54 GLU C C 13 176.970 . . 1 . . . . . 439 E CO . 50103 1 208 . 1 . 1 54 54 GLU CA C 13 56.968 . . 1 . . . . . 439 E CA . 50103 1 209 . 1 . 1 54 54 GLU CB C 13 30.214 . . 1 . . . . . 439 E CB . 50103 1 210 . 1 . 1 54 54 GLU N N 15 122.962 . . 1 . . . . . 439 E N . 50103 1 211 . 1 . 1 55 55 GLY H H 1 8.479 . . 1 . . . . . 440 G HN . 50103 1 212 . 1 . 1 55 55 GLY C C 13 174.101 . . 1 . . . . . 440 G CO . 50103 1 213 . 1 . 1 55 55 GLY CA C 13 45.395 . . 1 . . . . . 440 G CA . 50103 1 214 . 1 . 1 55 55 GLY N N 15 110.457 . . 1 . . . . . 440 G N . 50103 1 215 . 1 . 1 56 56 LYS H H 1 8.111 . . 1 . . . . . 441 K HN . 50103 1 216 . 1 . 1 56 56 LYS C C 13 176.663 . . 1 . . . . . 441 K CO . 50103 1 217 . 1 . 1 56 56 LYS CA C 13 56.138 . . 1 . . . . . 441 K CA . 50103 1 218 . 1 . 1 56 56 LYS CB C 13 33.283 . . 1 . . . . . 441 K CB . 50103 1 219 . 1 . 1 56 56 LYS N N 15 120.681 . . 1 . . . . . 441 K N . 50103 1 220 . 1 . 1 57 57 SER H H 1 8.385 . . 1 . . . . . 442 S HN . 50103 1 221 . 1 . 1 57 57 SER C C 13 174.624 . . 1 . . . . . 442 S CO . 50103 1 222 . 1 . 1 57 57 SER CA C 13 58.312 . . 1 . . . . . 442 S CA . 50103 1 223 . 1 . 1 57 57 SER CB C 13 63.831 . . 1 . . . . . 442 S CB . 50103 1 224 . 1 . 1 57 57 SER N N 15 117.359 . . 1 . . . . . 442 S N . 50103 1 225 . 1 . 1 58 58 VAL H H 1 8.185 . . 1 . . . . . 443 V HN . 50103 1 226 . 1 . 1 58 58 VAL C C 13 175.872 . . 1 . . . . . 443 V CO . 50103 1 227 . 1 . 1 58 58 VAL CA C 13 62.375 . . 1 . . . . . 443 V CA . 50103 1 228 . 1 . 1 58 58 VAL CB C 13 32.792 . . 1 . . . . . 443 V CB . 50103 1 229 . 1 . 1 58 58 VAL N N 15 121.533 . . 1 . . . . . 443 V N . 50103 1 230 . 1 . 1 59 59 ASN H H 1 8.453 . . 1 . . . . . 444 N HN . 50103 1 231 . 1 . 1 59 59 ASN C C 13 175.005 . . 1 . . . . . 444 N CO . 50103 1 232 . 1 . 1 59 59 ASN CA C 13 53.227 . . 1 . . . . . 444 N CA . 50103 1 233 . 1 . 1 59 59 ASN CB C 13 39.024 . . 1 . . . . . 444 N CB . 50103 1 234 . 1 . 1 59 59 ASN N N 15 122.084 . . 1 . . . . . 444 N N . 50103 1 235 . 1 . 1 60 60 ALA H H 1 8.293 . . 1 . . . . . 445 A HN . 50103 1 236 . 1 . 1 60 60 ALA C C 13 177.786 . . 1 . . . . . 445 A CO . 50103 1 237 . 1 . 1 60 60 ALA CA C 13 52.959 . . 1 . . . . . 445 A CA . 50103 1 238 . 1 . 1 60 60 ALA CB C 13 19.231 . . 1 . . . . . 445 A CB . 50103 1 239 . 1 . 1 60 60 ALA N N 15 124.690 . . 1 . . . . . 445 A N . 50103 1 240 . 1 . 1 61 61 GLU H H 1 8.372 . . 1 . . . . . 446 E HN . 50103 1 241 . 1 . 1 61 61 GLU C C 13 176.414 . . 1 . . . . . 446 E CO . 50103 1 242 . 1 . 1 61 61 GLU CA C 13 56.863 . . 1 . . . . . 446 E CA . 50103 1 243 . 1 . 1 61 61 GLU CB C 13 30.166 . . 1 . . . . . 446 E CB . 50103 1 244 . 1 . 1 61 61 GLU N N 15 119.154 . . 1 . . . . . 446 E N . 50103 1 245 . 1 . 1 62 62 ASN H H 1 8.365 . . 1 . . . . . 447 N HN . 50103 1 246 . 1 . 1 62 62 ASN C C 13 175.269 . . 1 . . . . . 447 N CO . 50103 1 247 . 1 . 1 62 62 ASN CA C 13 53.378 . . 1 . . . . . 447 N CA . 50103 1 248 . 1 . 1 62 62 ASN CB C 13 38.800 . . 1 . . . . . 447 N CB . 50103 1 249 . 1 . 1 62 62 ASN N N 15 119.264 . . 1 . . . . . 447 N N . 50103 1 250 . 1 . 1 63 63 VAL H H 1 8.005 . . 1 . . . . . 448 V HN . 50103 1 251 . 1 . 1 63 63 VAL C C 13 176.176 . . 1 . . . . . 448 V CO . 50103 1 252 . 1 . 1 63 63 VAL CA C 13 62.705 . . 1 . . . . . 448 V CA . 50103 1 253 . 1 . 1 63 63 VAL CB C 13 32.669 . . 1 . . . . . 448 V CB . 50103 1 254 . 1 . 1 63 63 VAL N N 15 120.355 . . 1 . . . . . 448 V N . 50103 1 255 . 1 . 1 64 64 GLN H H 1 8.406 . . 1 . . . . . 449 Q HN . 50103 1 256 . 1 . 1 64 64 GLN C C 13 176.025 . . 1 . . . . . 449 Q CO . 50103 1 257 . 1 . 1 64 64 GLN CA C 13 55.879 . . 1 . . . . . 449 Q CA . 50103 1 258 . 1 . 1 64 64 GLN CB C 13 29.327 . . 1 . . . . . 449 Q CB . 50103 1 259 . 1 . 1 64 64 GLN N N 15 123.635 . . 1 . . . . . 449 Q N . 50103 1 260 . 1 . 1 65 65 LEU H H 1 8.258 . . 1 . . . . . 450 L HN . 50103 1 261 . 1 . 1 65 65 LEU C C 13 177.221 . . 1 . . . . . 450 L CO . 50103 1 262 . 1 . 1 65 65 LEU CA C 13 55.521 . . 1 . . . . . 450 L CA . 50103 1 263 . 1 . 1 65 65 LEU CB C 13 42.362 . . 1 . . . . . 450 L CB . 50103 1 264 . 1 . 1 65 65 LEU N N 15 123.729 . . 1 . . . . . 450 L N . 50103 1 265 . 1 . 1 66 66 ASN H H 1 8.404 . . 1 . . . . . 451 N HN . 50103 1 266 . 1 . 1 66 66 ASN C C 13 174.987 . . 1 . . . . . 451 N CO . 50103 1 267 . 1 . 1 66 66 ASN CA C 13 53.315 . . 1 . . . . . 451 N CA . 50103 1 268 . 1 . 1 66 66 ASN CB C 13 38.939 . . 1 . . . . . 451 N CB . 50103 1 269 . 1 . 1 66 66 ASN N N 15 119.214 . . 1 . . . . . 451 N N . 50103 1 270 . 1 . 1 67 67 ALA H H 1 8.244 . . 1 . . . . . 452 A HN . 50103 1 271 . 1 . 1 67 67 ALA C C 13 177.991 . . 1 . . . . . 452 A CO . 50103 1 272 . 1 . 1 67 67 ALA CA C 13 52.897 . . 1 . . . . . 452 A CA . 50103 1 273 . 1 . 1 67 67 ALA CB C 13 19.246 . . 1 . . . . . 452 A CB . 50103 1 274 . 1 . 1 67 67 ALA N N 15 124.312 . . 1 . . . . . 452 A N . 50103 1 275 . 1 . 1 68 68 SER H H 1 8.348 . . 1 . . . . . 453 S HN . 50103 1 276 . 1 . 1 68 68 SER C C 13 175.028 . . 1 . . . . . 453 S CO . 50103 1 277 . 1 . 1 68 68 SER CA C 13 58.678 . . 1 . . . . . 453 S CA . 50103 1 278 . 1 . 1 68 68 SER CB C 13 63.783 . . 1 . . . . . 453 S CB . 50103 1 279 . 1 . 1 68 68 SER N N 15 114.854 . . 1 . . . . . 453 S N . 50103 1 280 . 1 . 1 69 69 THR H H 1 8.085 . . 1 . . . . . 454 T HN . 50103 1 281 . 1 . 1 69 69 THR C C 13 174.253 . . 1 . . . . . 454 T CO . 50103 1 282 . 1 . 1 69 69 THR CA C 13 61.878 . . 1 . . . . . 454 T CA . 50103 1 283 . 1 . 1 69 69 THR CB C 13 69.638 . . 1 . . . . . 454 T CB . 50103 1 284 . 1 . 1 69 69 THR N N 15 115.535 . . 1 . . . . . 454 T N . 50103 1 285 . 1 . 1 70 70 ALA H H 1 8.182 . . 1 . . . . . 455 A HN . 50103 1 286 . 1 . 1 70 70 ALA C C 13 177.583 . . 1 . . . . . 455 A CO . 50103 1 287 . 1 . 1 70 70 ALA CA C 13 52.614 . . 1 . . . . . 455 A CA . 50103 1 288 . 1 . 1 70 70 ALA CB C 13 19.248 . . 1 . . . . . 455 A CB . 50103 1 289 . 1 . 1 70 70 ALA N N 15 126.528 . . 1 . . . . . 455 A N . 50103 1 290 . 1 . 1 71 71 VAL H H 1 8.090 . . 1 . . . . . 456 V HN . 50103 1 291 . 1 . 1 71 71 VAL C C 13 176.127 . . 1 . . . . . 456 V CO . 50103 1 292 . 1 . 1 71 71 VAL CA C 13 62.365 . . 1 . . . . . 456 V CA . 50103 1 293 . 1 . 1 71 71 VAL CB C 13 32.803 . . 1 . . . . . 456 V CB . 50103 1 294 . 1 . 1 71 71 VAL N N 15 120.004 . . 1 . . . . . 456 V N . 50103 1 295 . 1 . 1 72 72 LYS H H 1 8.401 . . 1 . . . . . 457 K HN . 50103 1 296 . 1 . 1 72 72 LYS C C 13 176.592 . . 1 . . . . . 457 K CO . 50103 1 297 . 1 . 1 72 72 LYS CA C 13 56.187 . . 1 . . . . . 457 K CA . 50103 1 298 . 1 . 1 72 72 LYS CB C 13 33.289 . . 1 . . . . . 457 K CB . 50103 1 299 . 1 . 1 72 72 LYS N N 15 125.610 . . 1 . . . . . 457 K N . 50103 1 300 . 1 . 1 73 73 GLU H H 1 8.563 . . 1 . . . . . 458 E HN . 50103 1 301 . 1 . 1 73 73 GLU C C 13 176.710 . . 1 . . . . . 458 E CO . 50103 1 302 . 1 . 1 73 73 GLU CA C 13 56.826 . . 1 . . . . . 458 E CA . 50103 1 303 . 1 . 1 73 73 GLU CB C 13 30.266 . . 1 . . . . . 458 E CB . 50103 1 304 . 1 . 1 73 73 GLU N N 15 123.103 . . 1 . . . . . 458 E N . 50103 1 305 . 1 . 1 74 74 THR H H 1 8.164 . . 1 . . . . . 459 T HN . 50103 1 306 . 1 . 1 74 74 THR C C 13 174.307 . . 1 . . . . . 459 T CO . 50103 1 307 . 1 . 1 74 74 THR CA C 13 61.964 . . 1 . . . . . 459 T CA . 50103 1 308 . 1 . 1 74 74 THR CB C 13 69.824 . . 1 . . . . . 459 T CB . 50103 1 309 . 1 . 1 74 74 THR N N 15 114.589 . . 1 . . . . . 459 T N . 50103 1 310 . 1 . 1 75 75 ASP H H 1 8.380 . . 1 . . . . . 460 D HN . 50103 1 311 . 1 . 1 75 75 ASP C C 13 176.319 . . 1 . . . . . 460 D CO . 50103 1 312 . 1 . 1 75 75 ASP CA C 13 54.488 . . 1 . . . . . 460 D CA . 50103 1 313 . 1 . 1 75 75 ASP CB C 13 41.229 . . 1 . . . . . 460 D CB . 50103 1 314 . 1 . 1 75 75 ASP N N 15 122.962 . . 1 . . . . . 460 D N . 50103 1 315 . 1 . 1 76 76 LYS H H 1 8.281 . . 1 . . . . . 461 K HN . 50103 1 316 . 1 . 1 76 76 LYS C C 13 176.677 . . 1 . . . . . 461 K CO . 50103 1 317 . 1 . 1 76 76 LYS CA C 13 56.385 . . 1 . . . . . 461 K CA . 50103 1 318 . 1 . 1 76 76 LYS CB C 13 32.854 . . 1 . . . . . 461 K CB . 50103 1 319 . 1 . 1 76 76 LYS N N 15 122.152 . . 1 . . . . . 461 K N . 50103 1 320 . 1 . 1 77 77 SER H H 1 8.384 . . 1 . . . . . 462 S HN . 50103 1 321 . 1 . 1 77 77 SER C C 13 174.567 . . 1 . . . . . 462 S CO . 50103 1 322 . 1 . 1 77 77 SER CA C 13 58.835 . . 1 . . . . . 462 S CA . 50103 1 323 . 1 . 1 77 77 SER CB C 13 63.817 . . 1 . . . . . 462 S CB . 50103 1 324 . 1 . 1 77 77 SER N N 15 117.080 . . 1 . . . . . 462 S N . 50103 1 325 . 1 . 1 78 78 GLU H H 1 8.393 . . 1 . . . . . 463 E HN . 50103 1 326 . 1 . 1 78 78 GLU C C 13 176.184 . . 1 . . . . . 463 E CO . 50103 1 327 . 1 . 1 78 78 GLU CA C 13 56.432 . . 1 . . . . . 463 E CA . 50103 1 328 . 1 . 1 78 78 GLU CB C 13 30.296 . . 1 . . . . . 463 E CB . 50103 1 329 . 1 . 1 78 78 GLU N N 15 122.773 . . 1 . . . . . 463 E N . 50103 1 330 . 1 . 1 79 79 VAL H H 1 8.086 . . 1 . . . . . 464 V HN . 50103 1 331 . 1 . 1 79 79 VAL C C 13 175.578 . . 1 . . . . . 464 V CO . 50103 1 332 . 1 . 1 79 79 VAL CA C 13 62.205 . . 1 . . . . . 464 V CA . 50103 1 333 . 1 . 1 79 79 VAL CB C 13 32.840 . . 1 . . . . . 464 V CB . 50103 1 334 . 1 . 1 79 79 VAL N N 15 120.804 . . 1 . . . . . 464 V N . 50103 1 335 . 1 . 1 80 80 ASN H H 1 8.553 . . 1 . . . . . 465 N HN . 50103 1 336 . 1 . 1 80 80 ASN C C 13 173.154 . . 1 . . . . . 465 N CO . 50103 1 337 . 1 . 1 80 80 ASN CA C 13 51.264 . . 1 . . . . . 465 N CA . 50103 1 338 . 1 . 1 80 80 ASN CB C 13 39.027 . . 1 . . . . . 465 N CB . 50103 1 339 . 1 . 1 80 80 ASN N N 15 123.717 . . 1 . . . . . 465 N N . 50103 1 340 . 1 . 1 81 81 PRO C C 13 176.928 . . 1 . . . . . 466 P CO . 50103 1 341 . 1 . 1 81 81 PRO CA C 13 63.363 . . 1 . . . . . 466 P CA . 50103 1 342 . 1 . 1 81 81 PRO CB C 13 32.194 . . 1 . . . . . 466 P CB . 50103 1 343 . 1 . 1 82 82 VAL H H 1 8.144 . . 1 . . . . . 467 V HN . 50103 1 344 . 1 . 1 82 82 VAL C C 13 175.884 . . 1 . . . . . 467 V CO . 50103 1 345 . 1 . 1 82 82 VAL CA C 13 62.341 . . 1 . . . . . 467 V CA . 50103 1 346 . 1 . 1 82 82 VAL CB C 13 32.823 . . 1 . . . . . 467 V CB . 50103 1 347 . 1 . 1 82 82 VAL N N 15 119.503 . . 1 . . . . . 467 V N . 50103 1 348 . 1 . 1 83 83 ASP H H 1 8.294 . . 1 . . . . . 468 D HN . 50103 1 349 . 1 . 1 83 83 ASP C C 13 175.887 . . 1 . . . . . 468 D CO . 50103 1 350 . 1 . 1 83 83 ASP CA C 13 54.188 . . 1 . . . . . 468 D CA . 50103 1 351 . 1 . 1 83 83 ASP CB C 13 41.501 . . 1 . . . . . 468 D CB . 50103 1 352 . 1 . 1 83 83 ASP N N 15 123.630 . . 1 . . . . . 468 D N . 50103 1 353 . 1 . 1 84 84 ASP H H 1 8.289 . . 1 . . . . . 469 D HN . 50103 1 354 . 1 . 1 84 84 ASP C C 13 176.211 . . 1 . . . . . 469 D CO . 50103 1 355 . 1 . 1 84 84 ASP CA C 13 54.398 . . 1 . . . . . 469 D CA . 50103 1 356 . 1 . 1 84 84 ASP CB C 13 41.101 . . 1 . . . . . 469 D CB . 50103 1 357 . 1 . 1 84 84 ASP N N 15 121.398 . . 1 . . . . . 469 D N . 50103 1 358 . 1 . 1 85 85 ASN H H 1 8.426 . . 1 . . . . . 470 N HN . 50103 1 359 . 1 . 1 85 85 ASN C C 13 175.313 . . 1 . . . . . 470 N CO . 50103 1 360 . 1 . 1 85 85 ASN CA C 13 53.785 . . 1 . . . . . 470 N CA . 50103 1 361 . 1 . 1 85 85 ASN CB C 13 39.104 . . 1 . . . . . 470 N CB . 50103 1 362 . 1 . 1 85 85 ASN N N 15 119.058 . . 1 . . . . . 470 N N . 50103 1 363 . 1 . 1 86 86 ASP H H 1 8.340 . . 1 . . . . . 471 D HN . 50103 1 364 . 1 . 1 86 86 ASP C C 13 176.391 . . 1 . . . . . 471 D CO . 50103 1 365 . 1 . 1 86 86 ASP CA C 13 54.739 . . 1 . . . . . 471 D CA . 50103 1 366 . 1 . 1 86 86 ASP CB C 13 41.119 . . 1 . . . . . 471 D CB . 50103 1 367 . 1 . 1 86 86 ASP N N 15 120.789 . . 1 . . . . . 471 D N . 50103 1 368 . 1 . 1 87 87 SER H H 1 8.192 . . 1 . . . . . 472 S HN . 50103 1 369 . 1 . 1 87 87 SER C C 13 174.799 . . 1 . . . . . 472 S CO . 50103 1 370 . 1 . 1 87 87 SER CA C 13 58.661 . . 1 . . . . . 472 S CA . 50103 1 371 . 1 . 1 87 87 SER CB C 13 63.829 . . 1 . . . . . 472 S CB . 50103 1 372 . 1 . 1 87 87 SER N N 15 115.647 . . 1 . . . . . 472 S N . 50103 1 373 . 1 . 1 88 88 LEU H H 1 8.214 . . 1 . . . . . 473 L HN . 50103 1 374 . 1 . 1 88 88 LEU C C 13 177.263 . . 1 . . . . . 473 L CO . 50103 1 375 . 1 . 1 88 88 LEU CA C 13 55.490 . . 1 . . . . . 473 L CA . 50103 1 376 . 1 . 1 88 88 LEU CB C 13 42.200 . . 1 . . . . . 473 L CB . 50103 1 377 . 1 . 1 88 88 LEU N N 15 123.602 . . 1 . . . . . 473 L N . 50103 1 378 . 1 . 1 89 89 ASP H H 1 8.194 . . 1 . . . . . 474 D HN . 50103 1 379 . 1 . 1 89 89 ASP C C 13 176.305 . . 1 . . . . . 474 D CO . 50103 1 380 . 1 . 1 89 89 ASP CA C 13 54.706 . . 1 . . . . . 474 D CA . 50103 1 381 . 1 . 1 89 89 ASP CB C 13 41.399 . . 1 . . . . . 474 D CB . 50103 1 382 . 1 . 1 89 89 ASP N N 15 120.575 . . 1 . . . . . 474 D N . 50103 1 383 . 1 . 1 90 90 ASP H H 1 8.226 . . 1 . . . . . 475 D HN . 50103 1 384 . 1 . 1 90 90 ASP C C 13 176.828 . . 1 . . . . . 475 D CO . 50103 1 385 . 1 . 1 90 90 ASP CA C 13 54.990 . . 1 . . . . . 475 D CA . 50103 1 386 . 1 . 1 90 90 ASP CB C 13 40.940 . . 1 . . . . . 475 D CB . 50103 1 387 . 1 . 1 90 90 ASP N N 15 121.023 . . 1 . . . . . 475 D N . 50103 1 388 . 1 . 1 91 91 LYS H H 1 8.181 . . 1 . . . . . 476 K HN . 50103 1 389 . 1 . 1 91 91 LYS C C 13 176.999 . . 1 . . . . . 476 K CO . 50103 1 390 . 1 . 1 91 91 LYS CA C 13 57.444 . . 1 . . . . . 476 K CA . 50103 1 391 . 1 . 1 91 91 LYS CB C 13 32.495 . . 1 . . . . . 476 K CB . 50103 1 392 . 1 . 1 91 91 LYS N N 15 120.396 . . 1 . . . . . 476 K N . 50103 1 393 . 1 . 1 92 92 TYR H H 1 8.051 . . 1 . . . . . 477 Y HN . 50103 1 394 . 1 . 1 92 92 TYR C C 13 176.350 . . 1 . . . . . 477 Y CO . 50103 1 395 . 1 . 1 92 92 TYR CA C 13 58.661 . . 1 . . . . . 477 Y CA . 50103 1 396 . 1 . 1 92 92 TYR CB C 13 38.366 . . 1 . . . . . 477 Y CB . 50103 1 397 . 1 . 1 92 92 TYR N N 15 119.354 . . 1 . . . . . 477 Y N . 50103 1 398 . 1 . 1 93 93 ILE H H 1 7.791 . . 1 . . . . . 478 I HN . 50103 1 399 . 1 . 1 93 93 ILE C C 13 176.348 . . 1 . . . . . 478 I CO . 50103 1 400 . 1 . 1 93 93 ILE CA C 13 61.911 . . 1 . . . . . 478 I CA . 50103 1 401 . 1 . 1 93 93 ILE CB C 13 38.534 . . 1 . . . . . 478 I CB . 50103 1 402 . 1 . 1 93 93 ILE N N 15 121.414 . . 1 . . . . . 478 I N . 50103 1 403 . 1 . 1 94 94 MET H H 1 8.187 . . 1 . . . . . 479 M HN . 50103 1 404 . 1 . 1 94 94 MET C C 13 176.516 . . 1 . . . . . 479 M CO . 50103 1 405 . 1 . 1 94 94 MET CA C 13 56.043 . . 1 . . . . . 479 M CA . 50103 1 406 . 1 . 1 94 94 MET CB C 13 32.515 . . 1 . . . . . 479 M CB . 50103 1 407 . 1 . 1 94 94 MET N N 15 122.342 . . 1 . . . . . 479 M N . 50103 1 stop_ save_