data_53401 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53401 _Entry.Title ; Chemical shifts and relaxation data of RIPK1 RHIM in SDS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-22 _Entry.Accession_date 2025-10-22 _Entry.Last_release_date 2025-10-22 _Entry.Original_release_date 2025-10-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 . _Entry.Generated_software_label . _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 Paula Polonio . . . 0009-0006-0786-4655 53401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53401 coupling_constants 1 53401 heteronucl_NOEs 1 53401 heteronucl_T1_relaxation 1 53401 heteronucl_T1rho_relaxation 1 53401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 53401 '15N chemical shifts' 91 53401 '1H chemical shifts' 334 53401 'T1 relaxation values' 88 53401 'T1rho relaxation values' 88 53401 'coupling constants' 85 53401 'heteronuclear NOE values' 87 53401 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 . . 2026-01-20 . original BMRB . 53401 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53411 'Chemical Shifts of RIPK1 N545D RHIM in 20 mM MES' 53401 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53401 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Unravelling conformation tendencies in RIPK1 prior amyloid formation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paula Polonio . . . . 53401 1 2 Gustavo Titaux-Delgado . . . . 53401 1 3 Miguel Mompean . . . . 53401 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53401 _Assembly.ID 1 _Assembly.Name 'Monomeric RHIM of human RIPK1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'RIPK1 RHIM' 1 $entity_1 . . yes 'partially disordered' no no . . . 53401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53401 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSDKIHHHHHHENLYFQGH MPSLHNIPVPETNYLGNTPT MPFSSLPPTDESIKYTIYNS TGIQIGAYNYMEIGGTSSSL LDSTNTNFKEEPAAKYQAIF DNTTSLT ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 477 MET . 53401 1 2 478 GLY . 53401 1 3 479 SER . 53401 1 4 480 ASP . 53401 1 5 481 LYS . 53401 1 6 482 ILE . 53401 1 7 483 HIS . 53401 1 8 484 HIS . 53401 1 9 485 HIS . 53401 1 10 486 HIS . 53401 1 11 487 HIS . 53401 1 12 488 HIS . 53401 1 13 489 GLU . 53401 1 14 490 ASN . 53401 1 15 491 LEU . 53401 1 16 492 TYR . 53401 1 17 493 PHE . 53401 1 18 494 GLN . 53401 1 19 495 GLY . 53401 1 20 496 HIS . 53401 1 21 497 MET . 53401 1 22 498 PRO . 53401 1 23 499 SER . 53401 1 24 500 LEU . 53401 1 25 501 HIS . 53401 1 26 502 ASN . 53401 1 27 503 ILE . 53401 1 28 504 PRO . 53401 1 29 505 VAL . 53401 1 30 506 PRO . 53401 1 31 507 GLU . 53401 1 32 508 THR . 53401 1 33 509 ASN . 53401 1 34 510 TYR . 53401 1 35 511 LEU . 53401 1 36 512 GLY . 53401 1 37 513 ASN . 53401 1 38 514 THR . 53401 1 39 515 PRO . 53401 1 40 516 THR . 53401 1 41 517 MET . 53401 1 42 518 PRO . 53401 1 43 519 PHE . 53401 1 44 520 SER . 53401 1 45 521 SER . 53401 1 46 522 LEU . 53401 1 47 523 PRO . 53401 1 48 524 PRO . 53401 1 49 525 THR . 53401 1 50 526 ASP . 53401 1 51 527 GLU . 53401 1 52 528 SER . 53401 1 53 529 ILE . 53401 1 54 530 LYS . 53401 1 55 531 TYR . 53401 1 56 532 THR . 53401 1 57 533 ILE . 53401 1 58 534 TYR . 53401 1 59 535 ASN . 53401 1 60 536 SER . 53401 1 61 537 THR . 53401 1 62 538 GLY . 53401 1 63 539 ILE . 53401 1 64 540 GLN . 53401 1 65 541 ILE . 53401 1 66 542 GLY . 53401 1 67 543 ALA . 53401 1 68 544 TYR . 53401 1 69 545 ASN . 53401 1 70 546 TYR . 53401 1 71 547 MET . 53401 1 72 548 GLU . 53401 1 73 549 ILE . 53401 1 74 550 GLY . 53401 1 75 551 GLY . 53401 1 76 552 THR . 53401 1 77 553 SER . 53401 1 78 554 SER . 53401 1 79 555 SER . 53401 1 80 556 LEU . 53401 1 81 557 LEU . 53401 1 82 558 ASP . 53401 1 83 559 SER . 53401 1 84 560 THR . 53401 1 85 561 ASN . 53401 1 86 562 THR . 53401 1 87 563 ASN . 53401 1 88 564 PHE . 53401 1 89 565 LYS . 53401 1 90 566 GLU . 53401 1 91 567 GLU . 53401 1 92 568 PRO . 53401 1 93 569 ALA . 53401 1 94 570 ALA . 53401 1 95 571 LYS . 53401 1 96 572 TYR . 53401 1 97 573 GLN . 53401 1 98 574 ALA . 53401 1 99 575 ILE . 53401 1 100 576 PHE . 53401 1 101 577 ASP . 53401 1 102 578 ASN . 53401 1 103 579 THR . 53401 1 104 580 THR . 53401 1 105 581 SER . 53401 1 106 582 LEU . 53401 1 107 583 THR . 53401 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 53401 1 . GLY 2 2 53401 1 . SER 3 3 53401 1 . ASP 4 4 53401 1 . LYS 5 5 53401 1 . ILE 6 6 53401 1 . HIS 7 7 53401 1 . HIS 8 8 53401 1 . HIS 9 9 53401 1 . HIS 10 10 53401 1 . HIS 11 11 53401 1 . HIS 12 12 53401 1 . GLU 13 13 53401 1 . ASN 14 14 53401 1 . LEU 15 15 53401 1 . TYR 16 16 53401 1 . PHE 17 17 53401 1 . GLN 18 18 53401 1 . GLY 19 19 53401 1 . HIS 20 20 53401 1 . MET 21 21 53401 1 . PRO 22 22 53401 1 . SER 23 23 53401 1 . LEU 24 24 53401 1 . HIS 25 25 53401 1 . ASN 26 26 53401 1 . ILE 27 27 53401 1 . PRO 28 28 53401 1 . VAL 29 29 53401 1 . PRO 30 30 53401 1 . GLU 31 31 53401 1 . THR 32 32 53401 1 . ASN 33 33 53401 1 . TYR 34 34 53401 1 . LEU 35 35 53401 1 . GLY 36 36 53401 1 . ASN 37 37 53401 1 . THR 38 38 53401 1 . PRO 39 39 53401 1 . THR 40 40 53401 1 . MET 41 41 53401 1 . PRO 42 42 53401 1 . PHE 43 43 53401 1 . SER 44 44 53401 1 . SER 45 45 53401 1 . LEU 46 46 53401 1 . PRO 47 47 53401 1 . PRO 48 48 53401 1 . THR 49 49 53401 1 . ASP 50 50 53401 1 . GLU 51 51 53401 1 . SER 52 52 53401 1 . ILE 53 53 53401 1 . LYS 54 54 53401 1 . TYR 55 55 53401 1 . THR 56 56 53401 1 . ILE 57 57 53401 1 . TYR 58 58 53401 1 . ASN 59 59 53401 1 . SER 60 60 53401 1 . THR 61 61 53401 1 . GLY 62 62 53401 1 . ILE 63 63 53401 1 . GLN 64 64 53401 1 . ILE 65 65 53401 1 . GLY 66 66 53401 1 . ALA 67 67 53401 1 . TYR 68 68 53401 1 . ASN 69 69 53401 1 . TYR 70 70 53401 1 . MET 71 71 53401 1 . GLU 72 72 53401 1 . ILE 73 73 53401 1 . GLY 74 74 53401 1 . GLY 75 75 53401 1 . THR 76 76 53401 1 . SER 77 77 53401 1 . SER 78 78 53401 1 . SER 79 79 53401 1 . LEU 80 80 53401 1 . LEU 81 81 53401 1 . ASP 82 82 53401 1 . SER 83 83 53401 1 . THR 84 84 53401 1 . ASN 85 85 53401 1 . THR 86 86 53401 1 . ASN 87 87 53401 1 . PHE 88 88 53401 1 . LYS 89 89 53401 1 . GLU 90 90 53401 1 . GLU 91 91 53401 1 . PRO 92 92 53401 1 . ALA 93 93 53401 1 . ALA 94 94 53401 1 . LYS 95 95 53401 1 . TYR 96 96 53401 1 . GLN 97 97 53401 1 . ALA 98 98 53401 1 . ILE 99 99 53401 1 . PHE 100 100 53401 1 . ASP 101 101 53401 1 . ASN 102 102 53401 1 . THR 103 103 53401 1 . THR 104 104 53401 1 . SER 105 105 53401 1 . LEU 106 106 53401 1 . THR 107 107 53401 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 53401 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53401 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 53401 _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 . . pET-11a . . . 53401 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53401 _Sample.ID 1 _Sample.Name 'human RIPK1 RHIM in SDS micelles' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RHIM of human RIPK1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 290 . . uM . . . . 53401 1 2 SDS 'natural abundance' . . . . . . 17 . . mM . . . . 53401 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 53401 1 4 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 53401 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 53401 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 53401 _Sample_condition_list.ID 1 _Sample_condition_list.Name RIPK1RHIM_SDS_pH7.6 _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' 0 . M 53401 1 pH 7.6 . pH 53401 1 pressure 1 . atm 53401 1 temperature 298 . K 53401 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53401 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53401 1 processing . 53401 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53401 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53401 2 'peak picking' . 53401 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53401 _Software.ID 3 _Software.Type . _Software.Name 'Dynamics Center' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53401 3 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 53401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance Neo 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 53401 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _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 . . . . . . . . . . . . . . . . . 53401 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 8 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 10 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 11 'T1rho/R1rho relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 1 12 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53401 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 53401 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RIPK1RHIM_SDS_pH7.6 _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 TMS 'methyl carbon' . . . . ppm 2.66 internal direct 1 . . . . . 53401 1 H 1 TMS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53401 1 N 15 TMS nitrogen . . . . ppm 0 internal direct 1 . . . . . 53401 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 53401 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RIPK1RHIM_chemicalshifts_SDS_pH7.6 _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' . . . 53401 1 2 '3D HNCA' . . . 53401 1 3 '3D CBCA(CO)NH' . . . 53401 1 4 '3D HNCO' . . . 53401 1 5 '3D HN(CA)CO' . . . 53401 1 6 '3D HNCACB' . . . 53401 1 7 '3D C(CO)NH' . . . 53401 1 8 '3D HNHA' . . . 53401 1 9 '3D HBHA(CO)NH' . . . 53401 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'spectrometer error' 'all 13C' . 2.66 . 53401 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 53401 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 SER HA H 1 4.440 0.00 . 1 . . . . . 479 SER HA . 53401 1 2 . 1 . 1 3 3 SER HB2 H 1 3.895 0.00 . 1 . . . . . 479 SER HB2 . 53401 1 3 . 1 . 1 3 3 SER HB3 H 1 3.772 0.00 . 1 . . . . . 479 SER HB3 . 53401 1 4 . 1 . 1 3 3 SER C C 13 174.577 0.00 . 1 . . . . . 479 SER C . 53401 1 5 . 1 . 1 3 3 SER CA C 13 58.411 0.01 . 1 . . . . . 479 SER CA . 53401 1 6 . 1 . 1 3 3 SER CB C 13 63.901 0.05 . 1 . . . . . 479 SER CB . 53401 1 7 . 1 . 1 4 4 ASP H H 1 8.513 0.00 . 1 . . . . . 480 ASP H . 53401 1 8 . 1 . 1 4 4 ASP HA H 1 4.511 0.00 . 1 . . . . . 480 ASP HA . 53401 1 9 . 1 . 1 4 4 ASP HB2 H 1 2.662 0.00 . 1 . . . . . 480 ASP HB2 . 53401 1 10 . 1 . 1 4 4 ASP HB3 H 1 2.588 0.00 . 1 . . . . . 480 ASP HB3 . 53401 1 11 . 1 . 1 4 4 ASP C C 13 176.269 0.00 . 1 . . . . . 480 ASP C . 53401 1 12 . 1 . 1 4 4 ASP CA C 13 54.927 0.04 . 1 . . . . . 480 ASP CA . 53401 1 13 . 1 . 1 4 4 ASP CB C 13 40.570 0.03 . 1 . . . . . 480 ASP CB . 53401 1 14 . 1 . 1 4 4 ASP N N 15 122.440 0.05 . 1 . . . . . 480 ASP N . 53401 1 15 . 1 . 1 5 5 LYS H H 1 8.031 0.00 . 1 . . . . . 481 LYS H . 53401 1 16 . 1 . 1 5 5 LYS HA H 1 4.142 0.00 . 1 . . . . . 481 LYS HA . 53401 1 17 . 1 . 1 5 5 LYS HB2 H 1 1.649 0.00 . 1 . . . . . 481 LYS HB2 . 53401 1 18 . 1 . 1 5 5 LYS C C 13 176.589 0.00 . 1 . . . . . 481 LYS C . 53401 1 19 . 1 . 1 5 5 LYS CA C 13 57.207 0.23 . 1 . . . . . 481 LYS CA . 53401 1 20 . 1 . 1 5 5 LYS CB C 13 33.036 0.06 . 1 . . . . . 481 LYS CB . 53401 1 21 . 1 . 1 5 5 LYS CG C 13 24.820 0.00 . 1 . . . . . 481 LYS CG . 53401 1 22 . 1 . 1 5 5 LYS CD C 13 28.869 0.00 . 1 . . . . . 481 LYS CD . 53401 1 23 . 1 . 1 5 5 LYS N N 15 119.294 0.01 . 1 . . . . . 481 LYS N . 53401 1 24 . 1 . 1 6 6 ILE H H 1 7.636 0.00 . 1 . . . . . 482 ILE H . 53401 1 25 . 1 . 1 6 6 ILE HA H 1 4.183 0.20 . 1 . . . . . 482 ILE HA . 53401 1 26 . 1 . 1 6 6 ILE HB H 1 1.774 0.00 . 1 . . . . . 482 ILE HB . 53401 1 27 . 1 . 1 6 6 ILE C C 13 175.594 0.01 . 1 . . . . . 482 ILE C . 53401 1 28 . 1 . 1 6 6 ILE CA C 13 61.462 0.04 . 1 . . . . . 482 ILE CA . 53401 1 29 . 1 . 1 6 6 ILE CB C 13 38.323 0.00 . 1 . . . . . 482 ILE CB . 53401 1 30 . 1 . 1 6 6 ILE N N 15 117.692 0.03 . 1 . . . . . 482 ILE N . 53401 1 31 . 1 . 1 7 7 HIS H H 1 7.953 0.01 . 1 . . . . . 483 HIS H . 53401 1 32 . 1 . 1 7 7 HIS HA H 1 4.552 0.00 . 1 . . . . . 483 HIS HA . 53401 1 33 . 1 . 1 7 7 HIS C C 13 174.604 0.00 . 1 . . . . . 483 HIS C . 53401 1 34 . 1 . 1 7 7 HIS CA C 13 55.889 0.00 . 1 . . . . . 483 HIS CA . 53401 1 35 . 1 . 1 7 7 HIS CB C 13 29.866 0.00 . 1 . . . . . 483 HIS CB . 53401 1 36 . 1 . 1 7 7 HIS N N 15 120.312 0.07 . 1 . . . . . 483 HIS N . 53401 1 37 . 1 . 1 12 12 HIS HA H 1 4.548 0.00 . 1 . . . . . 488 HIS HA . 53401 1 38 . 1 . 1 12 12 HIS HB2 H 1 1.523 0.00 . 1 . . . . . 488 HIS HB2 . 53401 1 39 . 1 . 1 12 12 HIS C C 13 174.851 0.00 . 1 . . . . . 488 HIS C . 53401 1 40 . 1 . 1 12 12 HIS CA C 13 56.014 0.00 . 1 . . . . . 488 HIS CA . 53401 1 41 . 1 . 1 12 12 HIS CB C 13 29.695 0.00 . 1 . . . . . 488 HIS CB . 53401 1 42 . 1 . 1 13 13 GLU H H 1 8.349 0.00 . 1 . . . . . 489 GLU H . 53401 1 43 . 1 . 1 13 13 GLU HA H 1 4.080 0.00 . 1 . . . . . 489 GLU HA . 53401 1 44 . 1 . 1 13 13 GLU HB2 H 1 1.952 0.00 . 1 . . . . . 489 GLU HB2 . 53401 1 45 . 1 . 1 13 13 GLU HB3 H 1 1.823 0.00 . 1 . . . . . 489 GLU HB3 . 53401 1 46 . 1 . 1 13 13 GLU C C 13 176.176 0.01 . 1 . . . . . 489 GLU C . 53401 1 47 . 1 . 1 13 13 GLU CA C 13 57.264 0.05 . 1 . . . . . 489 GLU CA . 53401 1 48 . 1 . 1 13 13 GLU CB C 13 29.964 0.07 . 1 . . . . . 489 GLU CB . 53401 1 49 . 1 . 1 13 13 GLU CG C 13 36.053 0.00 . 1 . . . . . 489 GLU CG . 53401 1 50 . 1 . 1 13 13 GLU N N 15 120.718 0.03 . 1 . . . . . 489 GLU N . 53401 1 51 . 1 . 1 14 14 ASN H H 1 8.302 0.00 . 1 . . . . . 490 ASN H . 53401 1 52 . 1 . 1 14 14 ASN HA H 1 4.624 0.00 . 1 . . . . . 490 ASN HA . 53401 1 53 . 1 . 1 14 14 ASN HB2 H 1 2.681 0.00 . 1 . . . . . 490 ASN HB2 . 53401 1 54 . 1 . 1 14 14 ASN HB3 H 1 2.633 0.00 . 1 . . . . . 490 ASN HB3 . 53401 1 55 . 1 . 1 14 14 ASN C C 13 174.493 0.01 . 1 . . . . . 490 ASN C . 53401 1 56 . 1 . 1 14 14 ASN CA C 13 53.523 0.02 . 1 . . . . . 490 ASN CA . 53401 1 57 . 1 . 1 14 14 ASN CB C 13 38.935 0.06 . 1 . . . . . 490 ASN CB . 53401 1 58 . 1 . 1 14 14 ASN N N 15 117.319 0.04 . 1 . . . . . 490 ASN N . 53401 1 59 . 1 . 1 15 15 LEU H H 1 7.885 0.00 . 1 . . . . . 491 LEU H . 53401 1 60 . 1 . 1 15 15 LEU HA H 1 4.269 0.05 . 1 . . . . . 491 LEU HA . 53401 1 61 . 1 . 1 15 15 LEU C C 13 176.565 0.02 . 1 . . . . . 491 LEU C . 53401 1 62 . 1 . 1 15 15 LEU CA C 13 55.240 0.05 . 1 . . . . . 491 LEU CA . 53401 1 63 . 1 . 1 15 15 LEU CB C 13 41.966 0.05 . 1 . . . . . 491 LEU CB . 53401 1 64 . 1 . 1 15 15 LEU CG C 13 24.938 0.00 . 1 . . . . . 491 LEU CG . 53401 1 65 . 1 . 1 15 15 LEU CD1 C 13 24.529 0.03 . 1 . . . . . 491 LEU CD1 . 53401 1 66 . 1 . 1 15 15 LEU CD2 C 13 24.015 0.00 . 1 . . . . . 491 LEU CD2 . 53401 1 67 . 1 . 1 15 15 LEU N N 15 121.162 0.05 . 1 . . . . . 491 LEU N . 53401 1 68 . 1 . 1 16 16 TYR H H 1 7.905 0.00 . 1 . . . . . 492 TYR H . 53401 1 69 . 1 . 1 16 16 TYR HA H 1 4.367 0.01 . 1 . . . . . 492 TYR HA . 53401 1 70 . 1 . 1 16 16 TYR HB3 H 1 2.750 0.00 . 1 . . . . . 492 TYR HB3 . 53401 1 71 . 1 . 1 16 16 TYR C C 13 175.717 0.01 . 1 . . . . . 492 TYR C . 53401 1 72 . 1 . 1 16 16 TYR CA C 13 58.624 0.12 . 1 . . . . . 492 TYR CA . 53401 1 73 . 1 . 1 16 16 TYR CB C 13 38.715 0.11 . 1 . . . . . 492 TYR CB . 53401 1 74 . 1 . 1 16 16 TYR N N 15 120.004 0.06 . 1 . . . . . 492 TYR N . 53401 1 75 . 1 . 1 17 17 PHE H H 1 8.005 0.00 . 1 . . . . . 493 PHE H . 53401 1 76 . 1 . 1 17 17 PHE HA H 1 4.478 0.00 . 1 . . . . . 493 PHE HA . 53401 1 77 . 1 . 1 17 17 PHE HB2 H 1 3.152 0.00 . 1 . . . . . 493 PHE HB2 . 53401 1 78 . 1 . 1 17 17 PHE HB3 H 1 2.995 0.00 . 1 . . . . . 493 PHE HB3 . 53401 1 79 . 1 . 1 17 17 PHE C C 13 175.940 0.01 . 1 . . . . . 493 PHE C . 53401 1 80 . 1 . 1 17 17 PHE CA C 13 58.329 0.00 . 1 . . . . . 493 PHE CA . 53401 1 81 . 1 . 1 17 17 PHE CB C 13 39.085 0.04 . 1 . . . . . 493 PHE CB . 53401 1 82 . 1 . 1 17 17 PHE N N 15 118.779 0.03 . 1 . . . . . 493 PHE N . 53401 1 83 . 1 . 1 18 18 GLN H H 1 8.003 0.00 . 1 . . . . . 494 GLN H . 53401 1 84 . 1 . 1 18 18 GLN HA H 1 4.078 0.00 . 1 . . . . . 494 GLN HA . 53401 1 85 . 1 . 1 18 18 GLN HB2 H 1 2.043 0.00 . 1 . . . . . 494 GLN HB2 . 53401 1 86 . 1 . 1 18 18 GLN HB3 H 1 1.827 0.00 . 1 . . . . . 494 GLN HB3 . 53401 1 87 . 1 . 1 18 18 GLN C C 13 176.454 0.00 . 1 . . . . . 494 GLN C . 53401 1 88 . 1 . 1 18 18 GLN CA C 13 56.614 0.07 . 1 . . . . . 494 GLN CA . 53401 1 89 . 1 . 1 18 18 GLN CB C 13 28.818 0.01 . 1 . . . . . 494 GLN CB . 53401 1 90 . 1 . 1 18 18 GLN CG C 13 33.751 0.00 . 1 . . . . . 494 GLN CG . 53401 1 91 . 1 . 1 18 18 GLN N N 15 119.334 0.02 . 1 . . . . . 494 GLN N . 53401 1 92 . 1 . 1 19 19 GLY H H 1 7.602 0.00 . 1 . . . . . 495 GLY H . 53401 1 93 . 1 . 1 19 19 GLY HA2 H 1 3.773 0.01 . 1 . . . . . 495 GLY HA2 . 53401 1 94 . 1 . 1 19 19 GLY HA3 H 1 4.115 0.00 . 1 . . . . . 495 GLY HA3 . 53401 1 95 . 1 . 1 19 19 GLY C C 13 173.758 0.01 . 1 . . . . . 495 GLY C . 53401 1 96 . 1 . 1 19 19 GLY CA C 13 45.563 0.03 . 1 . . . . . 495 GLY CA . 53401 1 97 . 1 . 1 19 19 GLY N N 15 107.667 0.02 . 1 . . . . . 495 GLY N . 53401 1 98 . 1 . 1 20 20 HIS H H 1 7.765 0.00 . 1 . . . . . 496 HIS H . 53401 1 99 . 1 . 1 20 20 HIS HA H 1 4.655 0.00 . 1 . . . . . 496 HIS HA . 53401 1 100 . 1 . 1 20 20 HIS HB2 H 1 3.782 0.00 . 1 . . . . . 496 HIS HB2 . 53401 1 101 . 1 . 1 20 20 HIS HB3 H 1 3.159 0.00 . 1 . . . . . 496 HIS HB3 . 53401 1 102 . 1 . 1 20 20 HIS C C 13 173.737 0.01 . 1 . . . . . 496 HIS C . 53401 1 103 . 1 . 1 20 20 HIS CA C 13 55.107 0.08 . 1 . . . . . 496 HIS CA . 53401 1 104 . 1 . 1 20 20 HIS CB C 13 30.155 0.05 . 1 . . . . . 496 HIS CB . 53401 1 105 . 1 . 1 20 20 HIS N N 15 117.341 0.03 . 1 . . . . . 496 HIS N . 53401 1 106 . 1 . 1 21 21 MET H H 1 8.052 0.00 . 1 . . . . . 497 MET H . 53401 1 107 . 1 . 1 21 21 MET HA H 1 4.641 0.00 . 1 . . . . . 497 MET HA . 53401 1 108 . 1 . 1 21 21 MET C C 13 174.361 0.00 . 1 . . . . . 497 MET C . 53401 1 109 . 1 . 1 21 21 MET CA C 13 53.558 0.00 . 1 . . . . . 497 MET CA . 53401 1 110 . 1 . 1 21 21 MET N N 15 120.734 0.05 . 1 . . . . . 497 MET N . 53401 1 111 . 1 . 1 22 22 PRO HA H 1 4.453 0.00 . 1 . . . . . 498 PRO HA . 53401 1 112 . 1 . 1 22 22 PRO HB2 H 1 2.225 0.00 . 1 . . . . . 498 PRO HB2 . 53401 1 113 . 1 . 1 22 22 PRO HB3 H 1 1.800 0.00 . 1 . . . . . 498 PRO HB3 . 53401 1 114 . 1 . 1 22 22 PRO C C 13 175.365 0.00 . 1 . . . . . 498 PRO C . 53401 1 115 . 1 . 1 22 22 PRO CA C 13 62.889 0.01 . 1 . . . . . 498 PRO CA . 53401 1 116 . 1 . 1 22 22 PRO CB C 13 31.998 0.00 . 1 . . . . . 498 PRO CB . 53401 1 117 . 1 . 1 23 23 SER H H 1 7.981 0.00 . 1 . . . . . 499 SER H . 53401 1 118 . 1 . 1 23 23 SER HA H 1 4.419 0.01 . 1 . . . . . 499 SER HA . 53401 1 119 . 1 . 1 23 23 SER HB2 H 1 3.766 0.00 . 1 . . . . . 499 SER HB2 . 53401 1 120 . 1 . 1 23 23 SER HB3 H 1 3.703 0.00 . 1 . . . . . 499 SER HB3 . 53401 1 121 . 1 . 1 23 23 SER C C 13 175.323 0.00 . 1 . . . . . 499 SER C . 53401 1 122 . 1 . 1 23 23 SER CA C 13 57.793 0.05 . 1 . . . . . 499 SER CA . 53401 1 123 . 1 . 1 23 23 SER CB C 13 63.837 0.07 . 1 . . . . . 499 SER CB . 53401 1 124 . 1 . 1 23 23 SER N N 15 113.010 0.02 . 1 . . . . . 499 SER N . 53401 1 125 . 1 . 1 24 24 LEU H H 1 8.155 0.00 . 1 . . . . . 500 LEU H . 53401 1 126 . 1 . 1 24 24 LEU HA H 1 4.108 0.00 . 1 . . . . . 500 LEU HA . 53401 1 127 . 1 . 1 24 24 LEU HB2 H 1 1.624 0.00 . 1 . . . . . 500 LEU HB2 . 53401 1 128 . 1 . 1 24 24 LEU HB3 H 1 1.477 0.00 . 1 . . . . . 500 LEU HB3 . 53401 1 129 . 1 . 1 24 24 LEU C C 13 177.270 0.00 . 1 . . . . . 500 LEU C . 53401 1 130 . 1 . 1 24 24 LEU CA C 13 56.125 0.07 . 1 . . . . . 500 LEU CA . 53401 1 131 . 1 . 1 24 24 LEU CB C 13 41.242 0.20 . 1 . . . . . 500 LEU CB . 53401 1 132 . 1 . 1 24 24 LEU N N 15 123.282 0.03 . 1 . . . . . 500 LEU N . 53401 1 133 . 1 . 1 25 25 HIS H H 1 7.845 0.00 . 1 . . . . . 501 HIS H . 53401 1 134 . 1 . 1 25 25 HIS HA H 1 4.414 0.00 . 1 . . . . . 501 HIS HA . 53401 1 135 . 1 . 1 25 25 HIS HB2 H 1 3.126 0.00 . 1 . . . . . 501 HIS HB2 . 53401 1 136 . 1 . 1 25 25 HIS HB3 H 1 2.998 0.00 . 1 . . . . . 501 HIS HB3 . 53401 1 137 . 1 . 1 25 25 HIS C C 13 175.094 0.01 . 1 . . . . . 501 HIS C . 53401 1 138 . 1 . 1 25 25 HIS CA C 13 57.013 0.09 . 1 . . . . . 501 HIS CA . 53401 1 139 . 1 . 1 25 25 HIS CB C 13 29.583 0.05 . 1 . . . . . 501 HIS CB . 53401 1 140 . 1 . 1 25 25 HIS N N 15 114.709 0.03 . 1 . . . . . 501 HIS N . 53401 1 141 . 1 . 1 26 26 ASN H H 1 7.947 0.00 . 1 . . . . . 502 ASN H . 53401 1 142 . 1 . 1 26 26 ASN HA H 1 4.701 0.00 . 1 . . . . . 502 ASN HA . 53401 1 143 . 1 . 1 26 26 ASN HB2 H 1 2.845 0.00 . 1 . . . . . 502 ASN HB2 . 53401 1 144 . 1 . 1 26 26 ASN HB3 H 1 2.621 0.00 . 1 . . . . . 502 ASN HB3 . 53401 1 145 . 1 . 1 26 26 ASN C C 13 174.416 0.00 . 1 . . . . . 502 ASN C . 53401 1 146 . 1 . 1 26 26 ASN CA C 13 52.976 0.04 . 1 . . . . . 502 ASN CA . 53401 1 147 . 1 . 1 26 26 ASN CB C 13 39.116 0.02 . 1 . . . . . 502 ASN CB . 53401 1 148 . 1 . 1 26 26 ASN N N 15 116.719 0.03 . 1 . . . . . 502 ASN N . 53401 1 149 . 1 . 1 27 27 ILE H H 1 7.511 0.00 . 1 . . . . . 503 ILE H . 53401 1 150 . 1 . 1 27 27 ILE HA H 1 4.232 0.00 . 1 . . . . . 503 ILE HA . 53401 1 151 . 1 . 1 27 27 ILE C C 13 174.115 0.00 . 1 . . . . . 503 ILE C . 53401 1 152 . 1 . 1 27 27 ILE CA C 13 59.058 0.00 . 1 . . . . . 503 ILE CA . 53401 1 153 . 1 . 1 27 27 ILE N N 15 121.447 0.01 . 1 . . . . . 503 ILE N . 53401 1 154 . 1 . 1 28 28 PRO HA H 1 4.432 0.00 . 1 . . . . . 504 PRO HA . 53401 1 155 . 1 . 1 28 28 PRO C C 13 174.804 0.00 . 1 . . . . . 504 PRO C . 53401 1 156 . 1 . 1 28 28 PRO CA C 13 62.384 0.08 . 1 . . . . . 504 PRO CA . 53401 1 157 . 1 . 1 28 28 PRO CB C 13 30.892 0.08 . 1 . . . . . 504 PRO CB . 53401 1 158 . 1 . 1 28 28 PRO CG C 13 27.250 0.00 . 1 . . . . . 504 PRO CG . 53401 1 159 . 1 . 1 29 29 VAL H H 1 7.815 0.00 . 1 . . . . . 505 VAL H . 53401 1 160 . 1 . 1 29 29 VAL HA H 1 4.202 0.00 . 1 . . . . . 505 VAL HA . 53401 1 161 . 1 . 1 29 29 VAL C C 13 175.064 0.00 . 1 . . . . . 505 VAL C . 53401 1 162 . 1 . 1 29 29 VAL CA C 13 59.985 0.04 . 1 . . . . . 505 VAL CA . 53401 1 163 . 1 . 1 29 29 VAL CB C 13 32.683 0.00 . 1 . . . . . 505 VAL CB . 53401 1 164 . 1 . 1 29 29 VAL N N 15 120.485 0.02 . 1 . . . . . 505 VAL N . 53401 1 165 . 1 . 1 30 30 PRO HA H 1 4.403 0.00 . 1 . . . . . 506 PRO HA . 53401 1 166 . 1 . 1 30 30 PRO HB2 H 1 2.250 0.00 . 1 . . . . . 506 PRO HB2 . 53401 1 167 . 1 . 1 30 30 PRO HB3 H 1 1.893 0.00 . 1 . . . . . 506 PRO HB3 . 53401 1 168 . 1 . 1 30 30 PRO C C 13 176.038 0.00 . 1 . . . . . 506 PRO C . 53401 1 169 . 1 . 1 30 30 PRO CA C 13 62.855 0.01 . 1 . . . . . 506 PRO CA . 53401 1 170 . 1 . 1 30 30 PRO CB C 13 32.220 0.00 . 1 . . . . . 506 PRO CB . 53401 1 171 . 1 . 1 31 31 GLU H H 1 8.281 0.00 . 1 . . . . . 507 GLU H . 53401 1 172 . 1 . 1 31 31 GLU HA H 1 4.191 0.00 . 1 . . . . . 507 GLU HA . 53401 1 173 . 1 . 1 31 31 GLU HB2 H 1 1.988 0.00 . 1 . . . . . 507 GLU HB2 . 53401 1 174 . 1 . 1 31 31 GLU HB3 H 1 1.888 0.00 . 1 . . . . . 507 GLU HB3 . 53401 1 175 . 1 . 1 31 31 GLU C C 13 176.474 0.00 . 1 . . . . . 507 GLU C . 53401 1 176 . 1 . 1 31 31 GLU CA C 13 56.923 0.04 . 1 . . . . . 507 GLU CA . 53401 1 177 . 1 . 1 31 31 GLU CB C 13 29.872 0.10 . 1 . . . . . 507 GLU CB . 53401 1 178 . 1 . 1 31 31 GLU CG C 13 36.387 0.00 . 1 . . . . . 507 GLU CG . 53401 1 179 . 1 . 1 31 31 GLU N N 15 120.132 0.02 . 1 . . . . . 507 GLU N . 53401 1 180 . 1 . 1 32 32 THR H H 1 7.718 0.00 . 1 . . . . . 508 THR H . 53401 1 181 . 1 . 1 32 32 THR HA H 1 4.258 0.00 . 1 . . . . . 508 THR HA . 53401 1 182 . 1 . 1 32 32 THR HB H 1 3.997 0.00 . 1 . . . . . 508 THR HB . 53401 1 183 . 1 . 1 32 32 THR C C 13 173.616 0.00 . 1 . . . . . 508 THR C . 53401 1 184 . 1 . 1 32 32 THR CA C 13 61.141 0.09 . 1 . . . . . 508 THR CA . 53401 1 185 . 1 . 1 32 32 THR CB C 13 70.228 0.03 . 1 . . . . . 508 THR CB . 53401 1 186 . 1 . 1 32 32 THR N N 15 113.503 0.02 . 1 . . . . . 508 THR N . 53401 1 187 . 1 . 1 33 33 ASN H H 1 8.246 0.00 . 1 . . . . . 509 ASN H . 53401 1 188 . 1 . 1 33 33 ASN HA H 1 4.665 0.01 . 1 . . . . . 509 ASN HA . 53401 1 189 . 1 . 1 33 33 ASN HB2 H 1 2.730 0.00 . 1 . . . . . 509 ASN HB2 . 53401 1 190 . 1 . 1 33 33 ASN HB3 H 1 2.600 0.00 . 1 . . . . . 509 ASN HB3 . 53401 1 191 . 1 . 1 33 33 ASN C C 13 175.216 0.00 . 1 . . . . . 509 ASN C . 53401 1 192 . 1 . 1 33 33 ASN CA C 13 53.196 0.09 . 1 . . . . . 509 ASN CA . 53401 1 193 . 1 . 1 33 33 ASN CB C 13 38.599 0.04 . 1 . . . . . 509 ASN CB . 53401 1 194 . 1 . 1 33 33 ASN N N 15 119.729 0.04 . 1 . . . . . 509 ASN N . 53401 1 195 . 1 . 1 34 34 TYR H H 1 8.028 0.00 . 1 . . . . . 510 TYR H . 53401 1 196 . 1 . 1 34 34 TYR HA H 1 4.313 0.02 . 1 . . . . . 510 TYR HA . 53401 1 197 . 1 . 1 34 34 TYR HB2 H 1 2.936 0.00 . 1 . . . . . 510 TYR HB2 . 53401 1 198 . 1 . 1 34 34 TYR HB3 H 1 2.868 0.00 . 1 . . . . . 510 TYR HB3 . 53401 1 199 . 1 . 1 34 34 TYR C C 13 176.387 0.00 . 1 . . . . . 510 TYR C . 53401 1 200 . 1 . 1 34 34 TYR CA C 13 59.813 0.12 . 1 . . . . . 510 TYR CA . 53401 1 201 . 1 . 1 34 34 TYR CB C 13 39.012 0.00 . 1 . . . . . 510 TYR CB . 53401 1 202 . 1 . 1 34 34 TYR N N 15 120.469 0.03 . 1 . . . . . 510 TYR N . 53401 1 203 . 1 . 1 35 35 LEU H H 1 7.912 0.00 . 1 . . . . . 511 LEU H . 53401 1 204 . 1 . 1 35 35 LEU HA H 1 4.209 0.00 . 1 . . . . . 511 LEU HA . 53401 1 205 . 1 . 1 35 35 LEU HB2 H 1 1.654 0.00 . 1 . . . . . 511 LEU HB2 . 53401 1 206 . 1 . 1 35 35 LEU HB3 H 1 1.522 0.00 . 1 . . . . . 511 LEU HB3 . 53401 1 207 . 1 . 1 35 35 LEU C C 13 177.666 0.01 . 1 . . . . . 511 LEU C . 53401 1 208 . 1 . 1 35 35 LEU CA C 13 55.363 0.01 . 1 . . . . . 511 LEU CA . 53401 1 209 . 1 . 1 35 35 LEU CB C 13 41.584 0.04 . 1 . . . . . 511 LEU CB . 53401 1 210 . 1 . 1 35 35 LEU CG C 13 27.297 0.00 . 1 . . . . . 511 LEU CG . 53401 1 211 . 1 . 1 35 35 LEU CD2 C 13 23.238 0.00 . 1 . . . . . 511 LEU CD2 . 53401 1 212 . 1 . 1 35 35 LEU N N 15 119.311 0.03 . 1 . . . . . 511 LEU N . 53401 1 213 . 1 . 1 36 36 GLY H H 1 7.673 0.00 . 1 . . . . . 512 GLY H . 53401 1 214 . 1 . 1 36 36 GLY HA2 H 1 3.804 0.00 . 1 . . . . . 512 GLY HA2 . 53401 1 215 . 1 . 1 36 36 GLY HA3 H 1 3.813 0.00 . 1 . . . . . 512 GLY HA3 . 53401 1 216 . 1 . 1 36 36 GLY C C 13 173.966 0.01 . 1 . . . . . 512 GLY C . 53401 1 217 . 1 . 1 36 36 GLY CA C 13 45.587 0.07 . 1 . . . . . 512 GLY CA . 53401 1 218 . 1 . 1 36 36 GLY N N 15 107.496 0.03 . 1 . . . . . 512 GLY N . 53401 1 219 . 1 . 1 37 37 ASN H H 1 7.910 0.00 . 1 . . . . . 513 ASN H . 53401 1 220 . 1 . 1 37 37 ASN HA H 1 4.772 0.00 . 1 . . . . . 513 ASN HA . 53401 1 221 . 1 . 1 37 37 ASN HB2 H 1 2.732 0.00 . 1 . . . . . 513 ASN HB2 . 53401 1 222 . 1 . 1 37 37 ASN HB3 H 1 2.608 0.00 . 1 . . . . . 513 ASN HB3 . 53401 1 223 . 1 . 1 37 37 ASN C C 13 174.599 0.01 . 1 . . . . . 513 ASN C . 53401 1 224 . 1 . 1 37 37 ASN CA C 13 52.829 0.01 . 1 . . . . . 513 ASN CA . 53401 1 225 . 1 . 1 37 37 ASN CB C 13 39.542 0.03 . 1 . . . . . 513 ASN CB . 53401 1 226 . 1 . 1 37 37 ASN N N 15 117.942 0.01 . 1 . . . . . 513 ASN N . 53401 1 227 . 1 . 1 38 38 THR H H 1 7.993 0.00 . 1 . . . . . 514 THR H . 53401 1 228 . 1 . 1 38 38 THR HA H 1 4.404 0.00 . 1 . . . . . 514 THR HA . 53401 1 229 . 1 . 1 38 38 THR C C 13 172.731 0.00 . 1 . . . . . 514 THR C . 53401 1 230 . 1 . 1 38 38 THR CA C 13 60.243 0.00 . 1 . . . . . 514 THR CA . 53401 1 231 . 1 . 1 38 38 THR CB C 13 69.432 0.00 . 1 . . . . . 514 THR CB . 53401 1 232 . 1 . 1 38 38 THR N N 15 115.256 0.01 . 1 . . . . . 514 THR N . 53401 1 233 . 1 . 1 39 39 PRO HA H 1 4.427 0.00 . 1 . . . . . 515 PRO HA . 53401 1 234 . 1 . 1 39 39 PRO HB2 H 1 2.208 0.00 . 1 . . . . . 515 PRO HB2 . 53401 1 235 . 1 . 1 39 39 PRO HB3 H 1 1.792 0.00 . 1 . . . . . 515 PRO HB3 . 53401 1 236 . 1 . 1 39 39 PRO C C 13 175.889 0.00 . 1 . . . . . 515 PRO C . 53401 1 237 . 1 . 1 39 39 PRO CA C 13 63.131 0.10 . 1 . . . . . 515 PRO CA . 53401 1 238 . 1 . 1 39 39 PRO CB C 13 32.071 0.06 . 1 . . . . . 515 PRO CB . 53401 1 239 . 1 . 1 39 39 PRO CG C 13 27.291 0.00 . 1 . . . . . 515 PRO CG . 53401 1 240 . 1 . 1 40 40 THR H H 1 7.854 0.00 . 1 . . . . . 516 THR H . 53401 1 241 . 1 . 1 40 40 THR HA H 1 4.224 0.00 . 1 . . . . . 516 THR HA . 53401 1 242 . 1 . 1 40 40 THR HB H 1 4.022 0.00 . 1 . . . . . 516 THR HB . 53401 1 243 . 1 . 1 40 40 THR C C 13 173.922 0.01 . 1 . . . . . 516 THR C . 53401 1 244 . 1 . 1 40 40 THR CA C 13 61.592 0.06 . 1 . . . . . 516 THR CA . 53401 1 245 . 1 . 1 40 40 THR CB C 13 70.196 0.12 . 1 . . . . . 516 THR CB . 53401 1 246 . 1 . 1 40 40 THR CG2 C 13 21.644 0.00 . 1 . . . . . 516 THR CG2 . 53401 1 247 . 1 . 1 40 40 THR N N 15 113.512 0.01 . 1 . . . . . 516 THR N . 53401 1 248 . 1 . 1 41 41 MET H H 1 8.207 0.00 . 1 . . . . . 517 MET H . 53401 1 249 . 1 . 1 41 41 MET HA H 1 4.558 0.00 . 1 . . . . . 517 MET HA . 53401 1 250 . 1 . 1 41 41 MET C C 13 175.426 0.00 . 1 . . . . . 517 MET C . 53401 1 251 . 1 . 1 41 41 MET CA C 13 53.287 0.00 . 1 . . . . . 517 MET CA . 53401 1 252 . 1 . 1 41 41 MET CB C 13 32.618 0.00 . 1 . . . . . 517 MET CB . 53401 1 253 . 1 . 1 41 41 MET N N 15 122.777 0.02 . 1 . . . . . 517 MET N . 53401 1 254 . 1 . 1 42 42 PRO HA H 1 4.338 0.00 . 1 . . . . . 518 PRO HA . 53401 1 255 . 1 . 1 42 42 PRO HB2 H 1 1.998 0.00 . 1 . . . . . 518 PRO HB2 . 53401 1 256 . 1 . 1 42 42 PRO HB3 H 1 1.650 0.00 . 1 . . . . . 518 PRO HB3 . 53401 1 257 . 1 . 1 42 42 PRO C C 13 175.979 0.00 . 1 . . . . . 518 PRO C . 53401 1 258 . 1 . 1 42 42 PRO CA C 13 63.635 0.02 . 1 . . . . . 518 PRO CA . 53401 1 259 . 1 . 1 42 42 PRO CB C 13 31.234 0.01 . 1 . . . . . 518 PRO CB . 53401 1 260 . 1 . 1 42 42 PRO CD C 13 50.400 0.00 . 1 . . . . . 518 PRO CD . 53401 1 261 . 1 . 1 43 43 PHE H H 1 7.227 0.00 . 1 . . . . . 519 PHE H . 53401 1 262 . 1 . 1 43 43 PHE HA H 1 4.558 0.00 . 1 . . . . . 519 PHE HA . 53401 1 263 . 1 . 1 43 43 PHE HB2 H 1 3.251 0.00 . 1 . . . . . 519 PHE HB2 . 53401 1 264 . 1 . 1 43 43 PHE HB3 H 1 3.009 0.00 . 1 . . . . . 519 PHE HB3 . 53401 1 265 . 1 . 1 43 43 PHE C C 13 175.863 0.02 . 1 . . . . . 519 PHE C . 53401 1 266 . 1 . 1 43 43 PHE CA C 13 57.529 0.08 . 1 . . . . . 519 PHE CA . 53401 1 267 . 1 . 1 43 43 PHE CB C 13 38.866 0.03 . 1 . . . . . 519 PHE CB . 53401 1 268 . 1 . 1 43 43 PHE N N 15 116.003 0.01 . 1 . . . . . 519 PHE N . 53401 1 269 . 1 . 1 44 44 SER H H 1 8.173 0.00 . 1 . . . . . 520 SER H . 53401 1 270 . 1 . 1 44 44 SER HA H 1 4.362 0.01 . 1 . . . . . 520 SER HA . 53401 1 271 . 1 . 1 44 44 SER HB2 H 1 3.914 0.00 . 1 . . . . . 520 SER HB2 . 53401 1 272 . 1 . 1 44 44 SER HB3 H 1 3.818 0.00 . 1 . . . . . 520 SER HB3 . 53401 1 273 . 1 . 1 44 44 SER C C 13 174.424 0.00 . 1 . . . . . 520 SER C . 53401 1 274 . 1 . 1 44 44 SER CA C 13 59.310 0.02 . 1 . . . . . 520 SER CA . 53401 1 275 . 1 . 1 44 44 SER CB C 13 63.785 0.02 . 1 . . . . . 520 SER CB . 53401 1 276 . 1 . 1 44 44 SER N N 15 114.094 0.03 . 1 . . . . . 520 SER N . 53401 1 277 . 1 . 1 45 45 SER H H 1 7.865 0.00 . 1 . . . . . 521 SER H . 53401 1 278 . 1 . 1 45 45 SER HA H 1 4.482 0.00 . 1 . . . . . 521 SER HA . 53401 1 279 . 1 . 1 45 45 SER HB2 H 1 3.817 0.00 . 1 . . . . . 521 SER HB2 . 53401 1 280 . 1 . 1 45 45 SER C C 13 173.501 0.01 . 1 . . . . . 521 SER C . 53401 1 281 . 1 . 1 45 45 SER CA C 13 58.075 0.03 . 1 . . . . . 521 SER CA . 53401 1 282 . 1 . 1 45 45 SER CB C 13 64.145 0.03 . 1 . . . . . 521 SER CB . 53401 1 283 . 1 . 1 45 45 SER N N 15 115.536 0.01 . 1 . . . . . 521 SER N . 53401 1 284 . 1 . 1 46 46 LEU H H 1 7.802 0.00 . 1 . . . . . 522 LEU H . 53401 1 285 . 1 . 1 46 46 LEU HA H 1 4.425 0.00 . 1 . . . . . 522 LEU HA . 53401 1 286 . 1 . 1 46 46 LEU C C 13 174.574 0.00 . 1 . . . . . 522 LEU C . 53401 1 287 . 1 . 1 46 46 LEU CA C 13 53.408 0.04 . 1 . . . . . 522 LEU CA . 53401 1 288 . 1 . 1 46 46 LEU CB C 13 41.404 0.00 . 1 . . . . . 522 LEU CB . 53401 1 289 . 1 . 1 46 46 LEU N N 15 122.804 0.05 . 1 . . . . . 522 LEU N . 53401 1 290 . 1 . 1 48 48 PRO HA H 1 4.455 0.00 . 1 . . . . . 524 PRO HA . 53401 1 291 . 1 . 1 48 48 PRO HB2 H 1 2.186 0.00 . 1 . . . . . 524 PRO HB2 . 53401 1 292 . 1 . 1 48 48 PRO HB3 H 1 1.873 0.00 . 1 . . . . . 524 PRO HB3 . 53401 1 293 . 1 . 1 48 48 PRO C C 13 176.934 0.00 . 1 . . . . . 524 PRO C . 53401 1 294 . 1 . 1 48 48 PRO CA C 13 62.887 0.16 . 1 . . . . . 524 PRO CA . 53401 1 295 . 1 . 1 48 48 PRO CB C 13 31.797 0.13 . 1 . . . . . 524 PRO CB . 53401 1 296 . 1 . 1 48 48 PRO CG C 13 27.244 0.00 . 1 . . . . . 524 PRO CG . 53401 1 297 . 1 . 1 49 49 THR H H 1 8.018 0.00 . 1 . . . . . 525 THR H . 53401 1 298 . 1 . 1 49 49 THR HA H 1 4.358 0.01 . 1 . . . . . 525 THR HA . 53401 1 299 . 1 . 1 49 49 THR HB H 1 4.251 0.00 . 1 . . . . . 525 THR HB . 53401 1 300 . 1 . 1 49 49 THR C C 13 174.398 0.01 . 1 . . . . . 525 THR C . 53401 1 301 . 1 . 1 49 49 THR CA C 13 60.911 0.03 . 1 . . . . . 525 THR CA . 53401 1 302 . 1 . 1 49 49 THR CB C 13 70.263 0.02 . 1 . . . . . 525 THR CB . 53401 1 303 . 1 . 1 49 49 THR CG2 C 13 21.522 0.00 . 1 . . . . . 525 THR CG2 . 53401 1 304 . 1 . 1 49 49 THR N N 15 113.054 0.05 . 1 . . . . . 525 THR N . 53401 1 305 . 1 . 1 50 50 ASP H H 1 8.266 0.00 . 1 . . . . . 526 ASP H . 53401 1 306 . 1 . 1 50 50 ASP HA H 1 4.467 0.00 . 1 . . . . . 526 ASP HA . 53401 1 307 . 1 . 1 50 50 ASP HB2 H 1 2.620 0.00 . 1 . . . . . 526 ASP HB2 . 53401 1 308 . 1 . 1 50 50 ASP C C 13 176.294 0.01 . 1 . . . . . 526 ASP C . 53401 1 309 . 1 . 1 50 50 ASP CA C 13 54.971 0.13 . 1 . . . . . 526 ASP CA . 53401 1 310 . 1 . 1 50 50 ASP CB C 13 41.038 0.05 . 1 . . . . . 526 ASP CB . 53401 1 311 . 1 . 1 50 50 ASP N N 15 121.583 0.02 . 1 . . . . . 526 ASP N . 53401 1 312 . 1 . 1 51 51 GLU H H 1 8.094 0.00 . 1 . . . . . 527 GLU H . 53401 1 313 . 1 . 1 51 51 GLU HA H 1 4.256 0.00 . 1 . . . . . 527 GLU HA . 53401 1 314 . 1 . 1 51 51 GLU HB2 H 1 2.001 0.00 . 1 . . . . . 527 GLU HB2 . 53401 1 315 . 1 . 1 51 51 GLU C C 13 176.281 0.00 . 1 . . . . . 527 GLU C . 53401 1 316 . 1 . 1 51 51 GLU CA C 13 56.429 0.06 . 1 . . . . . 527 GLU CA . 53401 1 317 . 1 . 1 51 51 GLU CB C 13 30.378 0.04 . 1 . . . . . 527 GLU CB . 53401 1 318 . 1 . 1 51 51 GLU CG C 13 36.110 0.09 . 1 . . . . . 527 GLU CG . 53401 1 319 . 1 . 1 51 51 GLU N N 15 118.650 0.01 . 1 . . . . . 527 GLU N . 53401 1 320 . 1 . 1 52 52 SER H H 1 8.408 0.00 . 1 . . . . . 528 SER H . 53401 1 321 . 1 . 1 52 52 SER HA H 1 4.399 0.00 . 1 . . . . . 528 SER HA . 53401 1 322 . 1 . 1 52 52 SER C C 13 175.950 0.01 . 1 . . . . . 528 SER C . 53401 1 323 . 1 . 1 52 52 SER CA C 13 59.016 0.01 . 1 . . . . . 528 SER CA . 53401 1 324 . 1 . 1 52 52 SER CB C 13 63.904 0.06 . 1 . . . . . 528 SER CB . 53401 1 325 . 1 . 1 52 52 SER N N 15 116.201 0.00 . 1 . . . . . 528 SER N . 53401 1 326 . 1 . 1 53 53 ILE H H 1 8.455 0.01 . 1 . . . . . 529 ILE H . 53401 1 327 . 1 . 1 53 53 ILE HA H 1 3.602 0.00 . 1 . . . . . 529 ILE HA . 53401 1 328 . 1 . 1 53 53 ILE HB H 1 1.951 0.00 . 1 . . . . . 529 ILE HB . 53401 1 329 . 1 . 1 53 53 ILE C C 13 177.322 0.00 . 1 . . . . . 529 ILE C . 53401 1 330 . 1 . 1 53 53 ILE CA C 13 64.168 0.01 . 1 . . . . . 529 ILE CA . 53401 1 331 . 1 . 1 53 53 ILE CB C 13 37.334 0.00 . 1 . . . . . 529 ILE CB . 53401 1 332 . 1 . 1 53 53 ILE N N 15 124.751 0.04 . 1 . . . . . 529 ILE N . 53401 1 333 . 1 . 1 54 54 LYS H H 1 7.984 0.00 . 1 . . . . . 530 LYS H . 53401 1 334 . 1 . 1 54 54 LYS HA H 1 3.906 0.13 . 1 . . . . . 530 LYS HA . 53401 1 335 . 1 . 1 54 54 LYS HB2 H 1 1.675 0.00 . 1 . . . . . 530 LYS HB2 . 53401 1 336 . 1 . 1 54 54 LYS C C 13 177.673 0.02 . 1 . . . . . 530 LYS C . 53401 1 337 . 1 . 1 54 54 LYS CA C 13 59.993 0.02 . 1 . . . . . 530 LYS CA . 53401 1 338 . 1 . 1 54 54 LYS CB C 13 32.035 0.16 . 1 . . . . . 530 LYS CB . 53401 1 339 . 1 . 1 54 54 LYS N N 15 119.358 0.07 . 1 . . . . . 530 LYS N . 53401 1 340 . 1 . 1 55 55 TYR H H 1 7.776 0.01 . 1 . . . . . 531 TYR H . 53401 1 341 . 1 . 1 55 55 TYR HA H 1 4.233 0.01 . 1 . . . . . 531 TYR HA . 53401 1 342 . 1 . 1 55 55 TYR HB2 H 1 3.253 0.00 . 1 . . . . . 531 TYR HB2 . 53401 1 343 . 1 . 1 55 55 TYR C C 13 177.381 0.02 . 1 . . . . . 531 TYR C . 53401 1 344 . 1 . 1 55 55 TYR CA C 13 61.051 0.02 . 1 . . . . . 531 TYR CA . 53401 1 345 . 1 . 1 55 55 TYR CB C 13 38.176 0.06 . 1 . . . . . 531 TYR CB . 53401 1 346 . 1 . 1 55 55 TYR N N 15 119.280 0.02 . 1 . . . . . 531 TYR N . 53401 1 347 . 1 . 1 56 56 THR H H 1 8.175 0.00 . 1 . . . . . 532 THR H . 53401 1 348 . 1 . 1 56 56 THR HA H 1 4.125 0.17 . 1 . . . . . 532 THR HA . 53401 1 349 . 1 . 1 56 56 THR HB H 1 3.948 0.00 . 1 . . . . . 532 THR HB . 53401 1 350 . 1 . 1 56 56 THR C C 13 176.901 0.00 . 1 . . . . . 532 THR C . 53401 1 351 . 1 . 1 56 56 THR CA C 13 66.266 0.05 . 1 . . . . . 532 THR CA . 53401 1 352 . 1 . 1 56 56 THR CB C 13 68.690 0.07 . 1 . . . . . 532 THR CB . 53401 1 353 . 1 . 1 56 56 THR N N 15 117.575 0.06 . 1 . . . . . 532 THR N . 53401 1 354 . 1 . 1 57 57 ILE H H 1 8.291 0.00 . 1 . . . . . 533 ILE H . 53401 1 355 . 1 . 1 57 57 ILE HA H 1 3.603 0.00 . 1 . . . . . 533 ILE HA . 53401 1 356 . 1 . 1 57 57 ILE C C 13 178.169 0.01 . 1 . . . . . 533 ILE C . 53401 1 357 . 1 . 1 57 57 ILE CA C 13 65.194 0.12 . 1 . . . . . 533 ILE CA . 53401 1 358 . 1 . 1 57 57 ILE CB C 13 37.731 0.00 . 1 . . . . . 533 ILE CB . 53401 1 359 . 1 . 1 57 57 ILE N N 15 121.039 0.05 . 1 . . . . . 533 ILE N . 53401 1 360 . 1 . 1 58 58 TYR H H 1 8.198 0.00 . 1 . . . . . 534 TYR H . 53401 1 361 . 1 . 1 58 58 TYR HA H 1 4.251 0.00 . 1 . . . . . 534 TYR HA . 53401 1 362 . 1 . 1 58 58 TYR C C 13 177.625 0.02 . 1 . . . . . 534 TYR C . 53401 1 363 . 1 . 1 58 58 TYR CA C 13 60.836 0.09 . 1 . . . . . 534 TYR CA . 53401 1 364 . 1 . 1 58 58 TYR CB C 13 38.305 0.06 . 1 . . . . . 534 TYR CB . 53401 1 365 . 1 . 1 58 58 TYR N N 15 121.701 0.05 . 1 . . . . . 534 TYR N . 53401 1 366 . 1 . 1 59 59 ASN H H 1 8.440 0.01 . 1 . . . . . 535 ASN H . 53401 1 367 . 1 . 1 59 59 ASN HA H 1 4.249 0.00 . 1 . . . . . 535 ASN HA . 53401 1 368 . 1 . 1 59 59 ASN HB2 H 1 2.617 0.00 . 1 . . . . . 535 ASN HB2 . 53401 1 369 . 1 . 1 59 59 ASN HB3 H 1 2.460 0.00 . 1 . . . . . 535 ASN HB3 . 53401 1 370 . 1 . 1 59 59 ASN C C 13 176.168 0.01 . 1 . . . . . 535 ASN C . 53401 1 371 . 1 . 1 59 59 ASN CA C 13 55.033 0.02 . 1 . . . . . 535 ASN CA . 53401 1 372 . 1 . 1 59 59 ASN CB C 13 38.706 0.01 . 1 . . . . . 535 ASN CB . 53401 1 373 . 1 . 1 59 59 ASN N N 15 117.051 0.04 . 1 . . . . . 535 ASN N . 53401 1 374 . 1 . 1 60 60 SER H H 1 7.760 0.00 . 1 . . . . . 536 SER H . 53401 1 375 . 1 . 1 60 60 SER HA H 1 4.367 0.01 . 1 . . . . . 536 SER HA . 53401 1 376 . 1 . 1 60 60 SER HB3 H 1 3.911 0.00 . 1 . . . . . 536 SER HB3 . 53401 1 377 . 1 . 1 60 60 SER C C 13 175.019 0.00 . 1 . . . . . 536 SER C . 53401 1 378 . 1 . 1 60 60 SER CA C 13 60.367 0.03 . 1 . . . . . 536 SER CA . 53401 1 379 . 1 . 1 60 60 SER CB C 13 64.232 0.00 . 1 . . . . . 536 SER CB . 53401 1 380 . 1 . 1 60 60 SER N N 15 113.351 0.04 . 1 . . . . . 536 SER N . 53401 1 381 . 1 . 1 61 61 THR H H 1 7.773 0.00 . 1 . . . . . 537 THR H . 53401 1 382 . 1 . 1 61 61 THR HA H 1 4.383 0.00 . 1 . . . . . 537 THR HA . 53401 1 383 . 1 . 1 61 61 THR HB H 1 4.149 0.00 . 1 . . . . . 537 THR HB . 53401 1 384 . 1 . 1 61 61 THR C C 13 175.326 0.01 . 1 . . . . . 537 THR C . 53401 1 385 . 1 . 1 61 61 THR CA C 13 62.753 0.03 . 1 . . . . . 537 THR CA . 53401 1 386 . 1 . 1 61 61 THR CB C 13 71.168 0.04 . 1 . . . . . 537 THR CB . 53401 1 387 . 1 . 1 61 61 THR N N 15 110.269 0.04 . 1 . . . . . 537 THR N . 53401 1 388 . 1 . 1 62 62 GLY H H 1 8.107 0.00 . 1 . . . . . 538 GLY H . 53401 1 389 . 1 . 1 62 62 GLY HA2 H 1 3.942 0.01 . 1 . . . . . 538 GLY HA2 . 53401 1 390 . 1 . 1 62 62 GLY HA3 H 1 3.599 0.00 . 1 . . . . . 538 GLY HA3 . 53401 1 391 . 1 . 1 62 62 GLY C C 13 174.024 0.00 . 1 . . . . . 538 GLY C . 53401 1 392 . 1 . 1 62 62 GLY CA C 13 45.613 0.01 . 1 . . . . . 538 GLY CA . 53401 1 393 . 1 . 1 62 62 GLY N N 15 110.050 0.04 . 1 . . . . . 538 GLY N . 53401 1 394 . 1 . 1 63 63 ILE H H 1 7.724 0.00 . 1 . . . . . 539 ILE H . 53401 1 395 . 1 . 1 63 63 ILE HA H 1 3.987 0.01 . 1 . . . . . 539 ILE HA . 53401 1 396 . 1 . 1 63 63 ILE HB H 1 1.725 0.00 . 1 . . . . . 539 ILE HB . 53401 1 397 . 1 . 1 63 63 ILE C C 13 175.192 0.01 . 1 . . . . . 539 ILE C . 53401 1 398 . 1 . 1 63 63 ILE CA C 13 61.676 0.02 . 1 . . . . . 539 ILE CA . 53401 1 399 . 1 . 1 63 63 ILE CB C 13 38.401 0.03 . 1 . . . . . 539 ILE CB . 53401 1 400 . 1 . 1 63 63 ILE N N 15 120.761 0.02 . 1 . . . . . 539 ILE N . 53401 1 401 . 1 . 1 64 64 GLN H H 1 8.171 0.00 . 1 . . . . . 540 GLN H . 53401 1 402 . 1 . 1 64 64 GLN HA H 1 4.451 0.00 . 1 . . . . . 540 GLN HA . 53401 1 403 . 1 . 1 64 64 GLN HB2 H 1 1.974 0.00 . 1 . . . . . 540 GLN HB2 . 53401 1 404 . 1 . 1 64 64 GLN HB3 H 1 1.822 0.00 . 1 . . . . . 540 GLN HB3 . 53401 1 405 . 1 . 1 64 64 GLN C C 13 175.462 0.01 . 1 . . . . . 540 GLN C . 53401 1 406 . 1 . 1 64 64 GLN CA C 13 54.685 0.01 . 1 . . . . . 540 GLN CA . 53401 1 407 . 1 . 1 64 64 GLN CB C 13 29.683 0.02 . 1 . . . . . 540 GLN CB . 53401 1 408 . 1 . 1 64 64 GLN N N 15 124.872 0.02 . 1 . . . . . 540 GLN N . 53401 1 409 . 1 . 1 65 65 ILE H H 1 8.111 0.00 . 1 . . . . . 541 ILE H . 53401 1 410 . 1 . 1 65 65 ILE HA H 1 3.996 0.00 . 1 . . . . . 541 ILE HA . 53401 1 411 . 1 . 1 65 65 ILE HB H 1 1.803 0.00 . 1 . . . . . 541 ILE HB . 53401 1 412 . 1 . 1 65 65 ILE C C 13 176.595 0.00 . 1 . . . . . 541 ILE C . 53401 1 413 . 1 . 1 65 65 ILE CA C 13 62.307 0.01 . 1 . . . . . 541 ILE CA . 53401 1 414 . 1 . 1 65 65 ILE CB C 13 38.117 0.12 . 1 . . . . . 541 ILE CB . 53401 1 415 . 1 . 1 65 65 ILE N N 15 122.356 0.04 . 1 . . . . . 541 ILE N . 53401 1 416 . 1 . 1 66 66 GLY H H 1 8.303 0.00 . 1 . . . . . 542 GLY H . 53401 1 417 . 1 . 1 66 66 GLY HA2 H 1 3.918 0.01 . 1 . . . . . 542 GLY HA2 . 53401 1 418 . 1 . 1 66 66 GLY HA3 H 1 3.865 0.00 . 1 . . . . . 542 GLY HA3 . 53401 1 419 . 1 . 1 66 66 GLY C C 13 174.335 0.02 . 1 . . . . . 542 GLY C . 53401 1 420 . 1 . 1 66 66 GLY CA C 13 45.636 0.01 . 1 . . . . . 542 GLY CA . 53401 1 421 . 1 . 1 66 66 GLY N N 15 111.826 0.03 . 1 . . . . . 542 GLY N . 53401 1 422 . 1 . 1 67 67 ALA H H 1 7.808 0.00 . 1 . . . . . 543 ALA H . 53401 1 423 . 1 . 1 67 67 ALA HA H 1 4.133 0.00 . 1 . . . . . 543 ALA HA . 53401 1 424 . 1 . 1 67 67 ALA HB1 H 1 1.148 0.00 . 1 . . . . . 543 ALA HB . 53401 1 425 . 1 . 1 67 67 ALA HB2 H 1 1.148 0.00 . 1 . . . . . 543 ALA HB . 53401 1 426 . 1 . 1 67 67 ALA HB3 H 1 1.148 0.00 . 1 . . . . . 543 ALA HB . 53401 1 427 . 1 . 1 67 67 ALA C C 13 177.465 0.01 . 1 . . . . . 543 ALA C . 53401 1 428 . 1 . 1 67 67 ALA CA C 13 52.926 0.01 . 1 . . . . . 543 ALA CA . 53401 1 429 . 1 . 1 67 67 ALA CB C 13 18.893 0.02 . 1 . . . . . 543 ALA CB . 53401 1 430 . 1 . 1 67 67 ALA N N 15 122.410 0.01 . 1 . . . . . 543 ALA N . 53401 1 431 . 1 . 1 68 68 TYR H H 1 7.700 0.00 . 1 . . . . . 544 TYR H . 53401 1 432 . 1 . 1 68 68 TYR HA H 1 4.345 0.00 . 1 . . . . . 544 TYR HA . 53401 1 433 . 1 . 1 68 68 TYR HB2 H 1 2.904 0.00 . 1 . . . . . 544 TYR HB2 . 53401 1 434 . 1 . 1 68 68 TYR HB3 H 1 2.780 0.00 . 1 . . . . . 544 TYR HB3 . 53401 1 435 . 1 . 1 68 68 TYR C C 13 175.406 0.01 . 1 . . . . . 544 TYR C . 53401 1 436 . 1 . 1 68 68 TYR CA C 13 58.209 0.01 . 1 . . . . . 544 TYR CA . 53401 1 437 . 1 . 1 68 68 TYR CB C 13 38.502 0.08 . 1 . . . . . 544 TYR CB . 53401 1 438 . 1 . 1 68 68 TYR N N 15 117.244 0.02 . 1 . . . . . 544 TYR N . 53401 1 439 . 1 . 1 69 69 ASN H H 1 7.932 0.00 . 1 . . . . . 545 ASN H . 53401 1 440 . 1 . 1 69 69 ASN HA H 1 4.569 0.00 . 1 . . . . . 545 ASN HA . 53401 1 441 . 1 . 1 69 69 ASN HB2 H 1 2.701 0.00 . 1 . . . . . 545 ASN HB2 . 53401 1 442 . 1 . 1 69 69 ASN HB3 H 1 2.570 0.00 . 1 . . . . . 545 ASN HB3 . 53401 1 443 . 1 . 1 69 69 ASN C C 13 175.420 0.01 . 1 . . . . . 545 ASN C . 53401 1 444 . 1 . 1 69 69 ASN CA C 13 53.322 0.00 . 1 . . . . . 545 ASN CA . 53401 1 445 . 1 . 1 69 69 ASN CB C 13 38.196 0.00 . 1 . . . . . 545 ASN CB . 53401 1 446 . 1 . 1 69 69 ASN N N 15 118.243 0.06 . 1 . . . . . 545 ASN N . 53401 1 447 . 1 . 1 70 70 TYR H H 1 7.841 0.00 . 1 . . . . . 546 TYR H . 53401 1 448 . 1 . 1 70 70 TYR HA H 1 4.255 0.01 . 1 . . . . . 546 TYR HA . 53401 1 449 . 1 . 1 70 70 TYR HB2 H 1 2.956 0.00 . 1 . . . . . 546 TYR HB2 . 53401 1 450 . 1 . 1 70 70 TYR HB3 H 1 2.933 0.00 . 1 . . . . . 546 TYR HB3 . 53401 1 451 . 1 . 1 70 70 TYR C C 13 176.075 0.01 . 1 . . . . . 546 TYR C . 53401 1 452 . 1 . 1 70 70 TYR CA C 13 59.639 0.02 . 1 . . . . . 546 TYR CA . 53401 1 453 . 1 . 1 70 70 TYR CB C 13 38.338 0.01 . 1 . . . . . 546 TYR CB . 53401 1 454 . 1 . 1 70 70 TYR N N 15 119.649 0.03 . 1 . . . . . 546 TYR N . 53401 1 455 . 1 . 1 71 71 MET H H 1 7.815 0.00 . 1 . . . . . 547 MET H . 53401 1 456 . 1 . 1 71 71 MET HA H 1 4.266 0.01 . 1 . . . . . 547 MET HA . 53401 1 457 . 1 . 1 71 71 MET HB2 H 1 2.300 0.00 . 1 . . . . . 547 MET HB2 . 53401 1 458 . 1 . 1 71 71 MET HB3 H 1 2.001 0.00 . 1 . . . . . 547 MET HB3 . 53401 1 459 . 1 . 1 71 71 MET C C 13 176.370 0.00 . 1 . . . . . 547 MET C . 53401 1 460 . 1 . 1 71 71 MET CA C 13 56.228 0.04 . 1 . . . . . 547 MET CA . 53401 1 461 . 1 . 1 71 71 MET CB C 13 32.474 0.14 . 1 . . . . . 547 MET CB . 53401 1 462 . 1 . 1 71 71 MET N N 15 117.612 0.02 . 1 . . . . . 547 MET N . 53401 1 463 . 1 . 1 72 72 GLU H H 1 7.865 0.00 . 1 . . . . . 548 GLU H . 53401 1 464 . 1 . 1 72 72 GLU HA H 1 4.228 0.00 . 1 . . . . . 548 GLU HA . 53401 1 465 . 1 . 1 72 72 GLU HB2 H 1 2.026 0.00 . 1 . . . . . 548 GLU HB2 . 53401 1 466 . 1 . 1 72 72 GLU HB3 H 1 1.865 0.00 . 1 . . . . . 548 GLU HB3 . 53401 1 467 . 1 . 1 72 72 GLU C C 13 176.791 0.01 . 1 . . . . . 548 GLU C . 53401 1 468 . 1 . 1 72 72 GLU CA C 13 56.445 0.02 . 1 . . . . . 548 GLU CA . 53401 1 469 . 1 . 1 72 72 GLU CB C 13 29.806 0.03 . 1 . . . . . 548 GLU CB . 53401 1 470 . 1 . 1 72 72 GLU N N 15 119.619 0.01 . 1 . . . . . 548 GLU N . 53401 1 471 . 1 . 1 73 73 ILE H H 1 7.826 0.00 . 1 . . . . . 549 ILE H . 53401 1 472 . 1 . 1 73 73 ILE HA H 1 4.032 0.01 . 1 . . . . . 549 ILE HA . 53401 1 473 . 1 . 1 73 73 ILE HB H 1 1.841 0.00 . 1 . . . . . 549 ILE HB . 53401 1 474 . 1 . 1 73 73 ILE C C 13 177.042 0.00 . 1 . . . . . 549 ILE C . 53401 1 475 . 1 . 1 73 73 ILE CA C 13 62.214 0.01 . 1 . . . . . 549 ILE CA . 53401 1 476 . 1 . 1 73 73 ILE CB C 13 38.435 0.09 . 1 . . . . . 549 ILE CB . 53401 1 477 . 1 . 1 73 73 ILE N N 15 120.534 0.01 . 1 . . . . . 549 ILE N . 53401 1 478 . 1 . 1 74 74 GLY H H 1 8.335 0.00 . 1 . . . . . 550 GLY H . 53401 1 479 . 1 . 1 74 74 GLY HA2 H 1 3.904 0.01 . 1 . . . . . 550 GLY HA2 . 53401 1 480 . 1 . 1 74 74 GLY HA3 H 1 3.849 0.00 . 1 . . . . . 550 GLY HA3 . 53401 1 481 . 1 . 1 74 74 GLY C C 13 174.913 0.00 . 1 . . . . . 550 GLY C . 53401 1 482 . 1 . 1 74 74 GLY CA C 13 45.709 0.02 . 1 . . . . . 550 GLY CA . 53401 1 483 . 1 . 1 74 74 GLY N N 15 111.329 0.02 . 1 . . . . . 550 GLY N . 53401 1 484 . 1 . 1 75 75 GLY H H 1 8.094 0.00 . 1 . . . . . 551 GLY H . 53401 1 485 . 1 . 1 75 75 GLY HA2 H 1 3.944 0.00 . 1 . . . . . 551 GLY HA2 . 53401 1 486 . 1 . 1 75 75 GLY C C 13 174.887 0.02 . 1 . . . . . 551 GLY C . 53401 1 487 . 1 . 1 75 75 GLY CA C 13 45.682 0.02 . 1 . . . . . 551 GLY CA . 53401 1 488 . 1 . 1 75 75 GLY N N 15 108.443 0.01 . 1 . . . . . 551 GLY N . 53401 1 489 . 1 . 1 76 76 THR H H 1 8.022 0.00 . 1 . . . . . 552 THR H . 53401 1 490 . 1 . 1 76 76 THR HA H 1 4.316 0.01 . 1 . . . . . 552 THR HA . 53401 1 491 . 1 . 1 76 76 THR HB H 1 4.251 0.00 . 1 . . . . . 552 THR HB . 53401 1 492 . 1 . 1 76 76 THR C C 13 175.238 0.01 . 1 . . . . . 552 THR C . 53401 1 493 . 1 . 1 76 76 THR CA C 13 62.573 0.06 . 1 . . . . . 552 THR CA . 53401 1 494 . 1 . 1 76 76 THR CB C 13 69.678 0.03 . 1 . . . . . 552 THR CB . 53401 1 495 . 1 . 1 76 76 THR N N 15 113.403 0.02 . 1 . . . . . 552 THR N . 53401 1 496 . 1 . 1 77 77 SER H H 1 8.281 0.01 . 1 . . . . . 553 SER H . 53401 1 497 . 1 . 1 77 77 SER HA H 1 4.337 0.00 . 1 . . . . . 553 SER HA . 53401 1 498 . 1 . 1 77 77 SER HB2 H 1 3.841 0.00 . 1 . . . . . 553 SER HB2 . 53401 1 499 . 1 . 1 77 77 SER HB3 H 1 3.859 0.00 . 1 . . . . . 553 SER HB3 . 53401 1 500 . 1 . 1 77 77 SER C C 13 174.728 0.00 . 1 . . . . . 553 SER C . 53401 1 501 . 1 . 1 77 77 SER CA C 13 59.426 0.01 . 1 . . . . . 553 SER CA . 53401 1 502 . 1 . 1 77 77 SER CB C 13 63.541 0.04 . 1 . . . . . 553 SER CB . 53401 1 503 . 1 . 1 77 77 SER N N 15 117.328 0.02 . 1 . . . . . 553 SER N . 53401 1 504 . 1 . 1 78 78 SER H H 1 8.093 0.00 . 1 . . . . . 554 SER H . 53401 1 505 . 1 . 1 78 78 SER HA H 1 4.350 0.01 . 1 . . . . . 554 SER HA . 53401 1 506 . 1 . 1 78 78 SER HB2 H 1 3.873 0.00 . 1 . . . . . 554 SER HB2 . 53401 1 507 . 1 . 1 78 78 SER HB3 H 1 3.807 0.00 . 1 . . . . . 554 SER HB3 . 53401 1 508 . 1 . 1 78 78 SER C C 13 174.913 0.00 . 1 . . . . . 554 SER C . 53401 1 509 . 1 . 1 78 78 SER CA C 13 58.996 0.00 . 1 . . . . . 554 SER CA . 53401 1 510 . 1 . 1 78 78 SER CB C 13 63.698 0.00 . 1 . . . . . 554 SER CB . 53401 1 511 . 1 . 1 78 78 SER N N 15 116.799 0.04 . 1 . . . . . 554 SER N . 53401 1 512 . 1 . 1 79 79 SER H H 1 8.196 0.00 . 1 . . . . . 555 SER H . 53401 1 513 . 1 . 1 79 79 SER HA H 1 4.437 0.00 . 1 . . . . . 555 SER HA . 53401 1 514 . 1 . 1 79 79 SER HB2 H 1 3.924 0.00 . 1 . . . . . 555 SER HB2 . 53401 1 515 . 1 . 1 79 79 SER HB3 H 1 3.851 0.00 . 1 . . . . . 555 SER HB3 . 53401 1 516 . 1 . 1 79 79 SER C C 13 175.457 0.00 . 1 . . . . . 555 SER C . 53401 1 517 . 1 . 1 79 79 SER CA C 13 59.054 0.06 . 1 . . . . . 555 SER CA . 53401 1 518 . 1 . 1 79 79 SER CB C 13 63.712 0.05 . 1 . . . . . 555 SER CB . 53401 1 519 . 1 . 1 79 79 SER N N 15 117.659 0.01 . 1 . . . . . 555 SER N . 53401 1 520 . 1 . 1 80 80 LEU H H 1 8.105 0.00 . 1 . . . . . 556 LEU H . 53401 1 521 . 1 . 1 80 80 LEU HA H 1 4.117 0.00 . 1 . . . . . 556 LEU HA . 53401 1 522 . 1 . 1 80 80 LEU HB2 H 1 1.673 0.00 . 1 . . . . . 556 LEU HB2 . 53401 1 523 . 1 . 1 80 80 LEU HB3 H 1 1.485 0.00 . 1 . . . . . 556 LEU HB3 . 53401 1 524 . 1 . 1 80 80 LEU C C 13 177.942 0.01 . 1 . . . . . 556 LEU C . 53401 1 525 . 1 . 1 80 80 LEU CA C 13 57.147 0.02 . 1 . . . . . 556 LEU CA . 53401 1 526 . 1 . 1 80 80 LEU CB C 13 42.331 0.05 . 1 . . . . . 556 LEU CB . 53401 1 527 . 1 . 1 80 80 LEU N N 15 123.492 0.01 . 1 . . . . . 556 LEU N . 53401 1 528 . 1 . 1 81 81 LEU H H 1 7.789 0.00 . 1 . . . . . 557 LEU H . 53401 1 529 . 1 . 1 81 81 LEU HA H 1 4.212 0.00 . 1 . . . . . 557 LEU HA . 53401 1 530 . 1 . 1 81 81 LEU HB2 H 1 1.644 0.00 . 1 . . . . . 557 LEU HB2 . 53401 1 531 . 1 . 1 81 81 LEU HB3 H 1 1.549 0.00 . 1 . . . . . 557 LEU HB3 . 53401 1 532 . 1 . 1 81 81 LEU C C 13 177.444 0.01 . 1 . . . . . 557 LEU C . 53401 1 533 . 1 . 1 81 81 LEU CA C 13 55.643 0.08 . 1 . . . . . 557 LEU CA . 53401 1 534 . 1 . 1 81 81 LEU CB C 13 41.590 0.06 . 1 . . . . . 557 LEU CB . 53401 1 535 . 1 . 1 81 81 LEU N N 15 117.380 0.01 . 1 . . . . . 557 LEU N . 53401 1 536 . 1 . 1 82 82 ASP H H 1 7.857 0.00 . 1 . . . . . 558 ASP H . 53401 1 537 . 1 . 1 82 82 ASP HA H 1 4.540 0.00 . 1 . . . . . 558 ASP HA . 53401 1 538 . 1 . 1 82 82 ASP HB2 H 1 2.701 0.00 . 1 . . . . . 558 ASP HB2 . 53401 1 539 . 1 . 1 82 82 ASP HB3 H 1 2.646 0.00 . 1 . . . . . 558 ASP HB3 . 53401 1 540 . 1 . 1 82 82 ASP C C 13 177.075 0.00 . 1 . . . . . 558 ASP C . 53401 1 541 . 1 . 1 82 82 ASP CA C 13 54.949 0.05 . 1 . . . . . 558 ASP CA . 53401 1 542 . 1 . 1 82 82 ASP CB C 13 41.101 0.00 . 1 . . . . . 558 ASP CB . 53401 1 543 . 1 . 1 82 82 ASP N N 15 119.561 0.01 . 1 . . . . . 558 ASP N . 53401 1 544 . 1 . 1 83 83 SER H H 1 8.086 0.00 . 1 . . . . . 559 SER H . 53401 1 545 . 1 . 1 83 83 SER HA H 1 4.357 0.00 . 1 . . . . . 559 SER HA . 53401 1 546 . 1 . 1 83 83 SER HB2 H 1 3.932 0.00 . 1 . . . . . 559 SER HB2 . 53401 1 547 . 1 . 1 83 83 SER HB3 H 1 3.853 0.00 . 1 . . . . . 559 SER HB3 . 53401 1 548 . 1 . 1 83 83 SER C C 13 174.959 0.00 . 1 . . . . . 559 SER C . 53401 1 549 . 1 . 1 83 83 SER CA C 13 59.362 0.03 . 1 . . . . . 559 SER CA . 53401 1 550 . 1 . 1 83 83 SER CB C 13 63.657 0.05 . 1 . . . . . 559 SER CB . 53401 1 551 . 1 . 1 83 83 SER N N 15 115.819 0.01 . 1 . . . . . 559 SER N . 53401 1 552 . 1 . 1 84 84 THR H H 1 7.978 0.00 . 1 . . . . . 560 THR H . 53401 1 553 . 1 . 1 84 84 THR HA H 1 4.266 0.00 . 1 . . . . . 560 THR HA . 53401 1 554 . 1 . 1 84 84 THR HB H 1 4.205 0.00 . 1 . . . . . 560 THR HB . 53401 1 555 . 1 . 1 84 84 THR C C 13 174.594 0.01 . 1 . . . . . 560 THR C . 53401 1 556 . 1 . 1 84 84 THR CA C 13 62.661 0.05 . 1 . . . . . 560 THR CA . 53401 1 557 . 1 . 1 84 84 THR CB C 13 69.766 0.11 . 1 . . . . . 560 THR CB . 53401 1 558 . 1 . 1 84 84 THR N N 15 114.101 0.02 . 1 . . . . . 560 THR N . 53401 1 559 . 1 . 1 85 85 ASN H H 1 8.184 0.00 . 1 . . . . . 561 ASN H . 53401 1 560 . 1 . 1 85 85 ASN HA H 1 4.709 0.01 . 1 . . . . . 561 ASN HA . 53401 1 561 . 1 . 1 85 85 ASN HB2 H 1 2.824 0.00 . 1 . . . . . 561 ASN HB2 . 53401 1 562 . 1 . 1 85 85 ASN HB3 H 1 2.685 0.00 . 1 . . . . . 561 ASN HB3 . 53401 1 563 . 1 . 1 85 85 ASN C C 13 175.145 0.01 . 1 . . . . . 561 ASN C . 53401 1 564 . 1 . 1 85 85 ASN CA C 13 53.454 0.03 . 1 . . . . . 561 ASN CA . 53401 1 565 . 1 . 1 85 85 ASN CB C 13 39.010 0.01 . 1 . . . . . 561 ASN CB . 53401 1 566 . 1 . 1 85 85 ASN N N 15 120.089 0.02 . 1 . . . . . 561 ASN N . 53401 1 567 . 1 . 1 86 86 THR H H 1 7.870 0.01 . 1 . . . . . 562 THR H . 53401 1 568 . 1 . 1 86 86 THR HA H 1 4.149 0.00 . 1 . . . . . 562 THR HA . 53401 1 569 . 1 . 1 86 86 THR HB H 1 3.977 0.00 . 1 . . . . . 562 THR HB . 53401 1 570 . 1 . 1 86 86 THR C C 13 174.069 0.00 . 1 . . . . . 562 THR C . 53401 1 571 . 1 . 1 86 86 THR CA C 13 61.940 0.04 . 1 . . . . . 562 THR CA . 53401 1 572 . 1 . 1 86 86 THR CB C 13 69.815 0.18 . 1 . . . . . 562 THR CB . 53401 1 573 . 1 . 1 86 86 THR N N 15 113.417 0.02 . 1 . . . . . 562 THR N . 53401 1 574 . 1 . 1 87 87 ASN H H 1 8.242 0.00 . 1 . . . . . 563 ASN H . 53401 1 575 . 1 . 1 87 87 ASN HA H 1 4.675 0.00 . 1 . . . . . 563 ASN HA . 53401 1 576 . 1 . 1 87 87 ASN HB2 H 1 2.708 0.00 . 1 . . . . . 563 ASN HB2 . 53401 1 577 . 1 . 1 87 87 ASN HB3 H 1 2.581 0.00 . 1 . . . . . 563 ASN HB3 . 53401 1 578 . 1 . 1 87 87 ASN C C 13 175.351 0.01 . 1 . . . . . 563 ASN C . 53401 1 579 . 1 . 1 87 87 ASN CA C 13 53.171 0.00 . 1 . . . . . 563 ASN CA . 53401 1 580 . 1 . 1 87 87 ASN CB C 13 38.794 0.00 . 1 . . . . . 563 ASN CB . 53401 1 581 . 1 . 1 87 87 ASN N N 15 120.479 0.01 . 1 . . . . . 563 ASN N . 53401 1 582 . 1 . 1 88 88 PHE H H 1 8.024 0.00 . 1 . . . . . 564 PHE H . 53401 1 583 . 1 . 1 88 88 PHE HA H 1 4.401 0.00 . 1 . . . . . 564 PHE HA . 53401 1 584 . 1 . 1 88 88 PHE HB2 H 1 3.122 0.00 . 1 . . . . . 564 PHE HB2 . 53401 1 585 . 1 . 1 88 88 PHE HB3 H 1 2.988 0.00 . 1 . . . . . 564 PHE HB3 . 53401 1 586 . 1 . 1 88 88 PHE C C 13 175.738 0.01 . 1 . . . . . 564 PHE C . 53401 1 587 . 1 . 1 88 88 PHE CA C 13 59.025 0.01 . 1 . . . . . 564 PHE CA . 53401 1 588 . 1 . 1 88 88 PHE CB C 13 38.951 0.06 . 1 . . . . . 564 PHE CB . 53401 1 589 . 1 . 1 88 88 PHE N N 15 120.396 0.02 . 1 . . . . . 564 PHE N . 53401 1 590 . 1 . 1 89 89 LYS H H 1 7.896 0.00 . 1 . . . . . 565 LYS H . 53401 1 591 . 1 . 1 89 89 LYS HA H 1 4.062 0.00 . 1 . . . . . 565 LYS HA . 53401 1 592 . 1 . 1 89 89 LYS HB3 H 1 1.724 0.02 . 1 . . . . . 565 LYS HB3 . 53401 1 593 . 1 . 1 89 89 LYS C C 13 176.447 0.01 . 1 . . . . . 565 LYS C . 53401 1 594 . 1 . 1 89 89 LYS CA C 13 57.204 0.05 . 1 . . . . . 565 LYS CA . 53401 1 595 . 1 . 1 89 89 LYS CB C 13 32.666 0.04 . 1 . . . . . 565 LYS CB . 53401 1 596 . 1 . 1 89 89 LYS N N 15 118.010 0.03 . 1 . . . . . 565 LYS N . 53401 1 597 . 1 . 1 90 90 GLU H H 1 7.719 0.00 . 1 . . . . . 566 GLU H . 53401 1 598 . 1 . 1 90 90 GLU HA H 1 4.147 0.00 . 1 . . . . . 566 GLU HA . 53401 1 599 . 1 . 1 90 90 GLU HB2 H 1 1.988 0.00 . 1 . . . . . 566 GLU HB2 . 53401 1 600 . 1 . 1 90 90 GLU HB3 H 1 1.875 0.00 . 1 . . . . . 566 GLU HB3 . 53401 1 601 . 1 . 1 90 90 GLU C C 13 176.390 0.00 . 1 . . . . . 566 GLU C . 53401 1 602 . 1 . 1 90 90 GLU CA C 13 57.037 0.03 . 1 . . . . . 566 GLU CA . 53401 1 603 . 1 . 1 90 90 GLU CB C 13 30.379 0.03 . 1 . . . . . 566 GLU CB . 53401 1 604 . 1 . 1 90 90 GLU N N 15 118.768 0.01 . 1 . . . . . 566 GLU N . 53401 1 605 . 1 . 1 91 91 GLU H H 1 8.289 0.00 . 1 . . . . . 567 GLU H . 53401 1 606 . 1 . 1 91 91 GLU HA H 1 4.422 0.00 . 1 . . . . . 567 GLU HA . 53401 1 607 . 1 . 1 91 91 GLU C C 13 174.727 0.00 . 1 . . . . . 567 GLU C . 53401 1 608 . 1 . 1 91 91 GLU CA C 13 56.202 0.00 . 1 . . . . . 567 GLU CA . 53401 1 609 . 1 . 1 91 91 GLU CB C 13 28.817 0.00 . 1 . . . . . 567 GLU CB . 53401 1 610 . 1 . 1 91 91 GLU N N 15 119.554 0.02 . 1 . . . . . 567 GLU N . 53401 1 611 . 1 . 1 92 92 PRO HA H 1 4.205 0.00 . 1 . . . . . 568 PRO HA . 53401 1 612 . 1 . 1 92 92 PRO HB2 H 1 2.167 0.00 . 1 . . . . . 568 PRO HB2 . 53401 1 613 . 1 . 1 92 92 PRO HB3 H 1 1.811 0.00 . 1 . . . . . 568 PRO HB3 . 53401 1 614 . 1 . 1 92 92 PRO C C 13 177.471 0.00 . 1 . . . . . 568 PRO C . 53401 1 615 . 1 . 1 92 92 PRO CA C 13 64.999 0.00 . 1 . . . . . 568 PRO CA . 53401 1 616 . 1 . 1 92 92 PRO CB C 13 31.580 0.00 . 1 . . . . . 568 PRO CB . 53401 1 617 . 1 . 1 93 93 ALA H H 1 8.079 0.00 . 1 . . . . . 569 ALA H . 53401 1 618 . 1 . 1 93 93 ALA HA H 1 4.098 0.00 . 1 . . . . . 569 ALA HA . 53401 1 619 . 1 . 1 93 93 ALA HB1 H 1 1.383 0.00 . 1 . . . . . 569 ALA HB . 53401 1 620 . 1 . 1 93 93 ALA HB2 H 1 1.383 0.00 . 1 . . . . . 569 ALA HB . 53401 1 621 . 1 . 1 93 93 ALA HB3 H 1 1.383 0.00 . 1 . . . . . 569 ALA HB . 53401 1 622 . 1 . 1 93 93 ALA C C 13 178.652 0.02 . 1 . . . . . 569 ALA C . 53401 1 623 . 1 . 1 93 93 ALA CA C 13 54.185 0.00 . 1 . . . . . 569 ALA CA . 53401 1 624 . 1 . 1 93 93 ALA CB C 13 18.467 0.03 . 1 . . . . . 569 ALA CB . 53401 1 625 . 1 . 1 93 93 ALA N N 15 119.743 0.03 . 1 . . . . . 569 ALA N . 53401 1 626 . 1 . 1 94 94 ALA H H 1 7.772 0.00 . 1 . . . . . 570 ALA H . 53401 1 627 . 1 . 1 94 94 ALA HA H 1 4.114 0.00 . 1 . . . . . 570 ALA HA . 53401 1 628 . 1 . 1 94 94 ALA HB1 H 1 1.395 0.00 . 1 . . . . . 570 ALA HB . 53401 1 629 . 1 . 1 94 94 ALA HB2 H 1 1.395 0.00 . 1 . . . . . 570 ALA HB . 53401 1 630 . 1 . 1 94 94 ALA HB3 H 1 1.395 0.00 . 1 . . . . . 570 ALA HB . 53401 1 631 . 1 . 1 94 94 ALA C C 13 180.093 0.01 . 1 . . . . . 570 ALA C . 53401 1 632 . 1 . 1 94 94 ALA CA C 13 54.294 0.08 . 1 . . . . . 570 ALA CA . 53401 1 633 . 1 . 1 94 94 ALA CB C 13 18.361 0.00 . 1 . . . . . 570 ALA CB . 53401 1 634 . 1 . 1 94 94 ALA N N 15 120.744 0.03 . 1 . . . . . 570 ALA N . 53401 1 635 . 1 . 1 95 95 LYS H H 1 7.981 0.00 . 1 . . . . . 571 LYS H . 53401 1 636 . 1 . 1 95 95 LYS HA H 1 4.009 0.00 . 1 . . . . . 571 LYS HA . 53401 1 637 . 1 . 1 95 95 LYS HB2 H 1 1.774 0.00 . 1 . . . . . 571 LYS HB2 . 53401 1 638 . 1 . 1 95 95 LYS HB3 H 1 1.627 0.00 . 1 . . . . . 571 LYS HB3 . 53401 1 639 . 1 . 1 95 95 LYS C C 13 177.716 0.00 . 1 . . . . . 571 LYS C . 53401 1 640 . 1 . 1 95 95 LYS CA C 13 58.362 0.04 . 1 . . . . . 571 LYS CA . 53401 1 641 . 1 . 1 95 95 LYS CB C 13 32.306 0.03 . 1 . . . . . 571 LYS CB . 53401 1 642 . 1 . 1 95 95 LYS N N 15 118.887 0.05 . 1 . . . . . 571 LYS N . 53401 1 643 . 1 . 1 96 96 TYR H H 1 7.850 0.00 . 1 . . . . . 572 TYR H . 53401 1 644 . 1 . 1 96 96 TYR HA H 1 4.242 0.00 . 1 . . . . . 572 TYR HA . 53401 1 645 . 1 . 1 96 96 TYR HB2 H 1 3.124 0.00 . 1 . . . . . 572 TYR HB2 . 53401 1 646 . 1 . 1 96 96 TYR HB3 H 1 2.928 0.00 . 1 . . . . . 572 TYR HB3 . 53401 1 647 . 1 . 1 96 96 TYR C C 13 176.566 0.01 . 1 . . . . . 572 TYR C . 53401 1 648 . 1 . 1 96 96 TYR CA C 13 60.213 0.03 . 1 . . . . . 572 TYR CA . 53401 1 649 . 1 . 1 96 96 TYR CB C 13 38.341 0.01 . 1 . . . . . 572 TYR CB . 53401 1 650 . 1 . 1 96 96 TYR N N 15 117.860 0.03 . 1 . . . . . 572 TYR N . 53401 1 651 . 1 . 1 97 97 GLN H H 1 7.930 0.00 . 1 . . . . . 573 GLN H . 53401 1 652 . 1 . 1 97 97 GLN HA H 1 3.918 0.01 . 1 . . . . . 573 GLN HA . 53401 1 653 . 1 . 1 97 97 GLN HB2 H 1 2.050 0.00 . 1 . . . . . 573 GLN HB2 . 53401 1 654 . 1 . 1 97 97 GLN HB3 H 1 2.004 0.00 . 1 . . . . . 573 GLN HB3 . 53401 1 655 . 1 . 1 97 97 GLN C C 13 177.262 0.00 . 1 . . . . . 573 GLN C . 53401 1 656 . 1 . 1 97 97 GLN CA C 13 58.182 0.04 . 1 . . . . . 573 GLN CA . 53401 1 657 . 1 . 1 97 97 GLN CB C 13 28.535 0.11 . 1 . . . . . 573 GLN CB . 53401 1 658 . 1 . 1 97 97 GLN CG C 13 33.814 0.00 . 1 . . . . . 573 GLN CG . 53401 1 659 . 1 . 1 97 97 GLN N N 15 117.955 0.02 . 1 . . . . . 573 GLN N . 53401 1 660 . 1 . 1 98 98 ALA H H 1 7.720 0.00 . 1 . . . . . 574 ALA H . 53401 1 661 . 1 . 1 98 98 ALA HA H 1 4.144 0.01 . 1 . . . . . 574 ALA HA . 53401 1 662 . 1 . 1 98 98 ALA HB1 H 1 1.395 0.00 . 1 . . . . . 574 ALA HB . 53401 1 663 . 1 . 1 98 98 ALA HB2 H 1 1.395 0.00 . 1 . . . . . 574 ALA HB . 53401 1 664 . 1 . 1 98 98 ALA HB3 H 1 1.395 0.00 . 1 . . . . . 574 ALA HB . 53401 1 665 . 1 . 1 98 98 ALA C C 13 179.129 0.00 . 1 . . . . . 574 ALA C . 53401 1 666 . 1 . 1 98 98 ALA CA C 13 54.034 0.02 . 1 . . . . . 574 ALA CA . 53401 1 667 . 1 . 1 98 98 ALA CB C 13 18.412 0.03 . 1 . . . . . 574 ALA CB . 53401 1 668 . 1 . 1 98 98 ALA N N 15 120.144 0.03 . 1 . . . . . 574 ALA N . 53401 1 669 . 1 . 1 99 99 ILE H H 1 7.468 0.00 . 1 . . . . . 575 ILE H . 53401 1 670 . 1 . 1 99 99 ILE HA H 1 3.704 0.00 . 1 . . . . . 575 ILE HA . 53401 1 671 . 1 . 1 99 99 ILE HB H 1 1.562 0.00 . 1 . . . . . 575 ILE HB . 53401 1 672 . 1 . 1 99 99 ILE C C 13 176.937 0.01 . 1 . . . . . 575 ILE C . 53401 1 673 . 1 . 1 99 99 ILE CA C 13 63.479 0.00 . 1 . . . . . 575 ILE CA . 53401 1 674 . 1 . 1 99 99 ILE CB C 13 38.259 0.07 . 1 . . . . . 575 ILE CB . 53401 1 675 . 1 . 1 99 99 ILE N N 15 117.110 0.02 . 1 . . . . . 575 ILE N . 53401 1 676 . 1 . 1 100 100 PHE H H 1 7.642 0.00 . 1 . . . . . 576 PHE H . 53401 1 677 . 1 . 1 100 100 PHE HA H 1 4.378 0.00 . 1 . . . . . 576 PHE HA . 53401 1 678 . 1 . 1 100 100 PHE HB2 H 1 3.131 0.00 . 1 . . . . . 576 PHE HB2 . 53401 1 679 . 1 . 1 100 100 PHE HB3 H 1 2.632 0.00 . 1 . . . . . 576 PHE HB3 . 53401 1 680 . 1 . 1 100 100 PHE C C 13 176.084 0.00 . 1 . . . . . 576 PHE C . 53401 1 681 . 1 . 1 100 100 PHE CA C 13 58.801 0.02 . 1 . . . . . 576 PHE CA . 53401 1 682 . 1 . 1 100 100 PHE CB C 13 38.996 0.01 . 1 . . . . . 576 PHE CB . 53401 1 683 . 1 . 1 100 100 PHE N N 15 118.322 0.02 . 1 . . . . . 576 PHE N . 53401 1 684 . 1 . 1 101 101 ASP H H 1 7.991 0.00 . 1 . . . . . 577 ASP H . 53401 1 685 . 1 . 1 101 101 ASP HA H 1 4.529 0.00 . 1 . . . . . 577 ASP HA . 53401 1 686 . 1 . 1 101 101 ASP HB2 H 1 2.696 0.00 . 1 . . . . . 577 ASP HB2 . 53401 1 687 . 1 . 1 101 101 ASP HB3 H 1 2.619 0.00 . 1 . . . . . 577 ASP HB3 . 53401 1 688 . 1 . 1 101 101 ASP C C 13 176.380 0.00 . 1 . . . . . 577 ASP C . 53401 1 689 . 1 . 1 101 101 ASP CA C 13 54.826 0.04 . 1 . . . . . 577 ASP CA . 53401 1 690 . 1 . 1 101 101 ASP CB C 13 40.984 0.03 . 1 . . . . . 577 ASP CB . 53401 1 691 . 1 . 1 101 101 ASP N N 15 120.431 0.01 . 1 . . . . . 577 ASP N . 53401 1 692 . 1 . 1 102 102 ASN H H 1 8.218 0.00 . 1 . . . . . 578 ASN H . 53401 1 693 . 1 . 1 102 102 ASN HA H 1 4.713 0.00 . 1 . . . . . 578 ASN HA . 53401 1 694 . 1 . 1 102 102 ASN HB2 H 1 2.805 0.00 . 1 . . . . . 578 ASN HB2 . 53401 1 695 . 1 . 1 102 102 ASN HB3 H 1 2.770 0.00 . 1 . . . . . 578 ASN HB3 . 53401 1 696 . 1 . 1 102 102 ASN C C 13 176.055 0.00 . 1 . . . . . 578 ASN C . 53401 1 697 . 1 . 1 102 102 ASN CA C 13 53.555 0.01 . 1 . . . . . 578 ASN CA . 53401 1 698 . 1 . 1 102 102 ASN CB C 13 38.876 0.04 . 1 . . . . . 578 ASN CB . 53401 1 699 . 1 . 1 102 102 ASN N N 15 119.695 0.01 . 1 . . . . . 578 ASN N . 53401 1 700 . 1 . 1 103 103 THR H H 1 8.139 0.00 . 1 . . . . . 579 THR H . 53401 1 701 . 1 . 1 103 103 THR HA H 1 4.252 0.00 . 1 . . . . . 579 THR HA . 53401 1 702 . 1 . 1 103 103 THR HB H 1 4.195 0.00 . 1 . . . . . 579 THR HB . 53401 1 703 . 1 . 1 103 103 THR C C 13 175.231 0.00 . 1 . . . . . 579 THR C . 53401 1 704 . 1 . 1 103 103 THR CA C 13 62.995 0.04 . 1 . . . . . 579 THR CA . 53401 1 705 . 1 . 1 103 103 THR CB C 13 69.763 0.03 . 1 . . . . . 579 THR CB . 53401 1 706 . 1 . 1 103 103 THR N N 15 113.666 0.01 . 1 . . . . . 579 THR N . 53401 1 707 . 1 . 1 104 104 THR H H 1 8.006 0.00 . 1 . . . . . 580 THR H . 53401 1 708 . 1 . 1 104 104 THR HA H 1 4.318 0.05 . 1 . . . . . 580 THR HA . 53401 1 709 . 1 . 1 104 104 THR HB H 1 4.137 0.00 . 1 . . . . . 580 THR HB . 53401 1 710 . 1 . 1 104 104 THR C C 13 174.528 0.01 . 1 . . . . . 580 THR C . 53401 1 711 . 1 . 1 104 104 THR CA C 13 62.282 0.02 . 1 . . . . . 580 THR CA . 53401 1 712 . 1 . 1 104 104 THR CB C 13 69.804 0.15 . 1 . . . . . 580 THR CB . 53401 1 713 . 1 . 1 104 104 THR N N 15 115.741 0.01 . 1 . . . . . 580 THR N . 53401 1 714 . 1 . 1 105 105 SER H H 1 8.138 0.00 . 1 . . . . . 581 SER H . 53401 1 715 . 1 . 1 105 105 SER HA H 1 4.422 0.00 . 1 . . . . . 581 SER HA . 53401 1 716 . 1 . 1 105 105 SER HB2 H 1 3.805 0.00 . 1 . . . . . 581 SER HB2 . 53401 1 717 . 1 . 1 105 105 SER HB3 H 1 3.725 0.00 . 1 . . . . . 581 SER HB3 . 53401 1 718 . 1 . 1 105 105 SER C C 13 174.369 0.00 . 1 . . . . . 581 SER C . 53401 1 719 . 1 . 1 105 105 SER CA C 13 58.310 0.01 . 1 . . . . . 581 SER CA . 53401 1 720 . 1 . 1 105 105 SER CB C 13 63.787 0.03 . 1 . . . . . 581 SER CB . 53401 1 721 . 1 . 1 105 105 SER N N 15 117.966 0.02 . 1 . . . . . 581 SER N . 53401 1 722 . 1 . 1 106 106 LEU H H 1 8.218 0.00 . 1 . . . . . 582 LEU H . 53401 1 723 . 1 . 1 106 106 LEU HA H 1 4.344 0.00 . 1 . . . . . 582 LEU HA . 53401 1 724 . 1 . 1 106 106 LEU HB2 H 1 1.613 0.00 . 1 . . . . . 582 LEU HB2 . 53401 1 725 . 1 . 1 106 106 LEU HB3 H 1 1.571 0.00 . 1 . . . . . 582 LEU HB3 . 53401 1 726 . 1 . 1 106 106 LEU C C 13 176.800 0.00 . 1 . . . . . 582 LEU C . 53401 1 727 . 1 . 1 106 106 LEU CA C 13 55.451 0.01 . 1 . . . . . 582 LEU CA . 53401 1 728 . 1 . 1 106 106 LEU CB C 13 42.273 0.03 . 1 . . . . . 582 LEU CB . 53401 1 729 . 1 . 1 106 106 LEU N N 15 124.519 0.02 . 1 . . . . . 582 LEU N . 53401 1 730 . 1 . 1 107 107 THR H H 1 7.607 0.00 . 1 . . . . . 583 THR H . 53401 1 731 . 1 . 1 107 107 THR HA H 1 4.073 0.00 . 1 . . . . . 583 THR HA . 53401 1 732 . 1 . 1 107 107 THR C C 13 179.174 0.00 . 1 . . . . . 583 THR C . 53401 1 733 . 1 . 1 107 107 THR CA C 13 62.967 0.00 . 1 . . . . . 583 THR CA . 53401 1 734 . 1 . 1 107 107 THR CB C 13 70.863 0.00 . 1 . . . . . 583 THR CB . 53401 1 735 . 1 . 1 107 107 THR N N 15 118.672 0.00 . 1 . . . . . 583 THR N . 53401 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_1 _Coupling_constant_list.Entry_ID 53401 _Coupling_constant_list.ID 1 _Coupling_constant_list.Name RIPK1RHIM_3JHNHA_SDS_pH7.6 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 8 '3D HNHA' . . . 53401 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $software_2 . . 53401 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 ASP H H 1 1 . 1 1 4 4 ASP HA H 1 1 7.41544 . . 0.20952 . . . . . . . . . . . . . 53401 1 2 3JHNHA . 1 1 5 5 LYS H H 1 1 . 1 1 5 5 LYS HA H 1 1 5.49128 . . 0.03249 . . . . . . . . . . . . . 53401 1 3 3JHNHA . 1 1 6 6 ILE H H 1 1 . 1 1 6 6 ILE HA H 1 1 6.11396 . . 0.05009 . . . . . . . . . . . . . 53401 1 4 3JHNHA . 1 1 7 7 HIS H H 1 1 . 1 1 7 7 HIS HA H 1 1 6.1936 . . 0.08173 . . . . . . . . . . . . . 53401 1 5 3JHNHA . 1 1 14 14 ASN H H 1 1 . 1 1 14 14 ASN HA H 1 1 6.62287 . . 0.17045 . . . . . . . . . . . . . 53401 1 6 3JHNHA . 1 1 15 15 LEU H H 1 1 . 1 1 15 15 LEU HA H 1 1 5.81718 . . 0.0637 . . . . . . . . . . . . . 53401 1 7 3JHNHA . 1 1 16 16 TYR H H 1 1 . 1 1 16 16 TYR HA H 1 1 4.81292 . . 0.05089 . . . . . . . . . . . . . 53401 1 8 3JHNHA . 1 1 17 17 PHE H H 1 1 . 1 1 17 17 PHE HA H 1 1 5.9153 . . 0.09104 . . . . . . . . . . . . . 53401 1 9 3JHNHA . 1 1 18 18 GLN H H 1 1 . 1 1 18 18 GLN HA H 1 1 5.36297 . . 0.04523 . . . . . . . . . . . . . 53401 1 10 3JHNHA . 1 1 19 19 GLY H H 1 1 . 1 1 19 19 GLY HA H 1 1 6.84362 . . 0.19549 . . . . . . . . . . . . . 53401 1 11 3JHNHA . 1 1 20 20 HIS H H 1 1 . 1 1 20 20 HIS HA H 1 1 4.94561 . . 0.05379 . . . . . . . . . . . . . 53401 1 12 3JHNHA . 1 1 21 21 MET H H 1 1 . 1 1 21 21 MET HA H 1 1 4.45792 . . 0.07143 . . . . . . . . . . . . . 53401 1 13 3JHNHA . 1 1 23 23 SER H H 1 1 . 1 1 23 23 SER HA H 1 1 6.38444 . . 0.01776 . . . . . . . . . . . . . 53401 1 14 3JHNHA . 1 1 24 24 LEU H H 1 1 . 1 1 24 24 LEU HA H 1 1 5.94181 . . 0.06429 . . . . . . . . . . . . . 53401 1 15 3JHNHA . 1 1 25 25 HIS H H 1 1 . 1 1 25 25 HIS HA H 1 1 6.49477 . . 0.0537 . . . . . . . . . . . . . 53401 1 16 3JHNHA . 1 1 26 26 ASN H H 1 1 . 1 1 26 26 ASN HA H 1 1 7.86219 . . 0.03809 . . . . . . . . . . . . . 53401 1 17 3JHNHA . 1 1 27 27 ILE H H 1 1 . 1 1 27 27 ILE HA H 1 1 6.14522 . . 0.01836 . . . . . . . . . . . . . 53401 1 18 3JHNHA . 1 1 29 29 VAL H H 1 1 . 1 1 29 29 VAL HA H 1 1 5.51674 . . 0.00679 . . . . . . . . . . . . . 53401 1 19 3JHNHA . 1 1 31 31 GLU H H 1 1 . 1 1 31 31 GLU HA H 1 1 5.73796 . . 0.01258 . . . . . . . . . . . . . 53401 1 20 3JHNHA . 1 1 32 32 THR H H 1 1 . 1 1 32 32 THR HA H 1 1 7.06948 . . 0.00927 . . . . . . . . . . . . . 53401 1 21 3JHNHA . 1 1 33 33 ASN H H 1 1 . 1 1 33 33 ASN HA H 1 1 6.29306 . . 0.03479 . . . . . . . . . . . . . 53401 1 22 3JHNHA . 1 1 34 34 TYR H H 1 1 . 1 1 34 34 TYR HA H 1 1 4.47436 . . 0.01366 . . . . . . . . . . . . . 53401 1 23 3JHNHA . 1 1 35 35 LEU H H 1 1 . 1 1 35 35 LEU HA H 1 1 6.14513 . . 0.01763 . . . . . . . . . . . . . 53401 1 24 3JHNHA . 1 1 36 36 GLY H H 1 1 . 1 1 36 36 GLY HA H 1 1 6.57973 . . 0.03664 . . . . . . . . . . . . . 53401 1 25 3JHNHA . 1 1 37 37 ASN H H 1 1 . 1 1 37 37 ASN HA H 1 1 5.59163 . . 0.02036 . . . . . . . . . . . . . 53401 1 26 3JHNHA . 1 1 38 38 THR H H 1 1 . 1 1 38 38 THR HA H 1 1 5.9433 . . 0.01564 . . . . . . . . . . . . . 53401 1 27 3JHNHA . 1 1 40 40 THR H H 1 1 . 1 1 40 40 THR HA H 1 1 6.95957 . . 0.01103 . . . . . . . . . . . . . 53401 1 28 3JHNHA . 1 1 41 41 MET H H 1 1 . 1 1 41 41 MET HA H 1 1 5.32891 . . 0.02347 . . . . . . . . . . . . . 53401 1 29 3JHNHA . 1 1 43 43 PHE H H 1 1 . 1 1 43 43 PHE HA H 1 1 6.16308 . . 0.03269 . . . . . . . . . . . . . 53401 1 30 3JHNHA . 1 1 44 44 SER H H 1 1 . 1 1 44 44 SER HA H 1 1 5.42448 . . 0.1553 . . . . . . . . . . . . . 53401 1 31 3JHNHA . 1 1 45 45 SER H H 1 1 . 1 1 45 45 SER HA H 1 1 7.28881 . . 0.02935 . . . . . . . . . . . . . 53401 1 32 3JHNHA . 1 1 46 46 LEU H H 1 1 . 1 1 46 46 LEU HA H 1 1 4.70659 . . 0.01976 . . . . . . . . . . . . . 53401 1 33 3JHNHA . 1 1 49 49 THR H H 1 1 . 1 1 49 49 THR HA H 1 1 6.57157 . . 0.01413 . . . . . . . . . . . . . 53401 1 34 3JHNHA . 1 1 50 50 ASP H H 1 1 . 1 1 50 50 ASP HA H 1 1 6.34307 . . 0.04432 . . . . . . . . . . . . . 53401 1 35 3JHNHA . 1 1 51 51 GLU H H 1 1 . 1 1 51 51 GLU HA H 1 1 7.03296 . . 0.04898 . . . . . . . . . . . . . 53401 1 36 3JHNHA . 1 1 52 52 SER H H 1 1 . 1 1 52 52 SER HA H 1 1 4.83591 . . 0.06903 . . . . . . . . . . . . . 53401 1 37 3JHNHA . 1 1 54 54 LYS H H 1 1 . 1 1 54 54 LYS HA H 1 1 3.91434 . . 0.06181 . . . . . . . . . . . . . 53401 1 38 3JHNHA . 1 1 55 55 TYR H H 1 1 . 1 1 55 55 TYR HA H 1 1 5.08581 . . 0.06631 . . . . . . . . . . . . . 53401 1 39 3JHNHA . 1 1 56 56 THR H H 1 1 . 1 1 56 56 THR HA H 1 1 4.19495 . . 0.10281 . . . . . . . . . . . . . 53401 1 40 3JHNHA . 1 1 57 57 ILE H H 1 1 . 1 1 57 57 ILE HA H 1 1 3.60132 . . 0.15714 . . . . . . . . . . . . . 53401 1 41 3JHNHA . 1 1 59 59 ASN H H 1 1 . 1 1 59 59 ASN HA H 1 1 5.59121 . . 0.10513 . . . . . . . . . . . . . 53401 1 42 3JHNHA . 1 1 60 60 SER H H 1 1 . 1 1 60 60 SER HA H 1 1 5.3775 . . 0.1022 . . . . . . . . . . . . . 53401 1 43 3JHNHA . 1 1 61 61 THR H H 1 1 . 1 1 61 61 THR HA H 1 1 9.5972 . . 0.06897 . . . . . . . . . . . . . 53401 1 44 3JHNHA . 1 1 62 62 GLY H H 1 1 . 1 1 62 62 GLY HA H 1 1 4.4304 . . 0.12674 . . . . . . . . . . . . . 53401 1 45 3JHNHA . 1 1 63 63 ILE H H 1 1 . 1 1 63 63 ILE HA H 1 1 5.29522 . . 0.04167 . . . . . . . . . . . . . 53401 1 46 3JHNHA . 1 1 64 64 GLN H H 1 1 . 1 1 64 64 GLN HA H 1 1 7.33195 . . 0.0419 . . . . . . . . . . . . . 53401 1 47 3JHNHA . 1 1 65 65 ILE H H 1 1 . 1 1 65 65 ILE HA H 1 1 5.27348 . . 0.05274 . . . . . . . . . . . . . 53401 1 48 3JHNHA . 1 1 66 66 GLY H H 1 1 . 1 1 66 66 GLY HA H 1 1 6.17662 . . 0.0375 . . . . . . . . . . . . . 53401 1 49 3JHNHA . 1 1 67 67 ALA H H 1 1 . 1 1 67 67 ALA HA H 1 1 4.81627 . . 0.02213 . . . . . . . . . . . . . 53401 1 50 3JHNHA . 1 1 68 68 TYR H H 1 1 . 1 1 68 68 TYR HA H 1 1 6.28512 . . 0.01572 . . . . . . . . . . . . . 53401 1 51 3JHNHA . 1 1 69 69 ASN H H 1 1 . 1 1 69 69 ASN HA H 1 1 4.56242 . . 0.02567 . . . . . . . . . . . . . 53401 1 52 3JHNHA . 1 1 70 70 TYR H H 1 1 . 1 1 70 70 TYR HA H 1 1 4.53267 . . 0.01953 . . . . . . . . . . . . . 53401 1 53 3JHNHA . 1 1 71 71 MET H H 1 1 . 1 1 71 71 MET HA H 1 1 5.5789 . . 0.01615 . . . . . . . . . . . . . 53401 1 54 3JHNHA . 1 1 72 72 GLU H H 1 1 . 1 1 72 72 GLU HA H 1 1 4.94084 . . 0.01106 . . . . . . . . . . . . . 53401 1 55 3JHNHA . 1 1 73 73 ILE H H 1 1 . 1 1 73 73 ILE HA H 1 1 4.48022 . . 0.01053 . . . . . . . . . . . . . 53401 1 56 3JHNHA . 1 1 74 74 GLY H H 1 1 . 1 1 74 74 GLY HA H 1 1 6.15362 . . 0.02041 . . . . . . . . . . . . . 53401 1 57 3JHNHA . 1 1 75 75 GLY H H 1 1 . 1 1 75 75 GLY HA H 1 1 6.40666 . . 0.01963 . . . . . . . . . . . . . 53401 1 58 3JHNHA . 1 1 76 76 THR H H 1 1 . 1 1 76 76 THR HA H 1 1 6.57012 . . 0.01598 . . . . . . . . . . . . . 53401 1 59 3JHNHA . 1 1 78 78 SER H H 1 1 . 1 1 78 78 SER HA H 1 1 6.06406 . . 0.16346 . . . . . . . . . . . . . 53401 1 60 3JHNHA . 1 1 79 79 SER H H 1 1 . 1 1 79 79 SER HA H 1 1 5.40699 . . 0.07181 . . . . . . . . . . . . . 53401 1 61 3JHNHA . 1 1 80 80 LEU H H 1 1 . 1 1 80 80 LEU HA H 1 1 4.94797 . . 0.02634 . . . . . . . . . . . . . 53401 1 62 3JHNHA . 1 1 81 81 LEU H H 1 1 . 1 1 81 81 LEU HA H 1 1 5.76189 . . 0.01248 . . . . . . . . . . . . . 53401 1 63 3JHNHA . 1 1 82 82 ASP H H 1 1 . 1 1 82 82 ASP HA H 1 1 4.29344 . . 0.01383 . . . . . . . . . . . . . 53401 1 64 3JHNHA . 1 1 83 83 SER H H 1 1 . 1 1 83 83 SER HA H 1 1 6.02232 . . 0.04945 . . . . . . . . . . . . . 53401 1 65 3JHNHA . 1 1 84 84 THR H H 1 1 . 1 1 84 84 THR HA H 1 1 6.91691 . . 0.03914 . . . . . . . . . . . . . 53401 1 66 3JHNHA . 1 1 85 85 ASN H H 1 1 . 1 1 85 85 ASN HA H 1 1 7.79512 . . 0.04697 . . . . . . . . . . . . . 53401 1 67 3JHNHA . 1 1 86 86 THR H H 1 1 . 1 1 86 86 THR HA H 1 1 6.28706 . . 0.02808 . . . . . . . . . . . . . 53401 1 68 3JHNHA . 1 1 87 87 ASN H H 1 1 . 1 1 87 87 ASN HA H 1 1 6.19985 . . 0.05235 . . . . . . . . . . . . . 53401 1 69 3JHNHA . 1 1 89 89 LYS H H 1 1 . 1 1 89 89 LYS HA H 1 1 4.54538 . . 0.0268 . . . . . . . . . . . . . 53401 1 70 3JHNHA . 1 1 90 90 GLU H H 1 1 . 1 1 90 90 GLU HA H 1 1 5.55228 . . 0.0317 . . . . . . . . . . . . . 53401 1 71 3JHNHA . 1 1 91 91 GLU H H 1 1 . 1 1 91 91 GLU HA H 1 1 4.75026 . . 0.03444 . . . . . . . . . . . . . 53401 1 72 3JHNHA . 1 1 93 93 ALA H H 1 1 . 1 1 93 93 ALA HA H 1 1 4.167 . . 0.05354 . . . . . . . . . . . . . 53401 1 73 3JHNHA . 1 1 94 94 ALA H H 1 1 . 1 1 94 94 ALA HA H 1 1 4.38721 . . 0.03458 . . . . . . . . . . . . . 53401 1 74 3JHNHA . 1 1 95 95 LYS H H 1 1 . 1 1 95 95 LYS HA H 1 1 4.05112 . . 0.04152 . . . . . . . . . . . . . 53401 1 75 3JHNHA . 1 1 96 96 TYR H H 1 1 . 1 1 96 96 TYR HA H 1 1 5.68437 . . 0.04827 . . . . . . . . . . . . . 53401 1 76 3JHNHA . 1 1 97 97 GLN H H 1 1 . 1 1 97 97 GLN HA H 1 1 3.65145 . . 0.05469 . . . . . . . . . . . . . 53401 1 77 3JHNHA . 1 1 98 98 ALA H H 1 1 . 1 1 98 98 ALA HA H 1 1 3.92382 . . 0.03369 . . . . . . . . . . . . . 53401 1 78 3JHNHA . 1 1 99 99 ILE H H 1 1 . 1 1 99 99 ILE HA H 1 1 5.6415 . . 0.02151 . . . . . . . . . . . . . 53401 1 79 3JHNHA . 1 1 100 100 PHE H H 1 1 . 1 1 100 100 PHE HA H 1 1 6.8952 . . 0.0173 . . . . . . . . . . . . . 53401 1 80 3JHNHA . 1 1 101 101 ASP H H 1 1 . 1 1 101 101 ASP HA H 1 1 5.17775 . . 0.01671 . . . . . . . . . . . . . 53401 1 81 3JHNHA . 1 1 102 102 ASN H H 1 1 . 1 1 102 102 ASN HA H 1 1 6.64463 . . 0.02532 . . . . . . . . . . . . . 53401 1 82 3JHNHA . 1 1 103 103 THR H H 1 1 . 1 1 103 103 THR HA H 1 1 6.74375 . . 0.03544 . . . . . . . . . . . . . 53401 1 83 3JHNHA . 1 1 104 104 THR H H 1 1 . 1 1 104 104 THR HA H 1 1 5.48117 . . 0.03332 . . . . . . . . . . . . . 53401 1 84 3JHNHA . 1 1 106 106 LEU H H 1 1 . 1 1 106 106 LEU HA H 1 1 7.0549 . . 0.02743 . . . . . . . . . . . . . 53401 1 85 3JHNHA . 1 1 107 107 THR H H 1 1 . 1 1 107 107 THR HA H 1 1 7.90644 . . 0.00165 . . . . . . . . . . . . . 53401 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 53401 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name RIPK1RHIM_hNOE_SDS_pH7.6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description ; The hNOE ratios were obtained directly by comparing the peak intensities from saturation experiment and the non-saturation control experiment. ; _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 '1H-15N heteronoe' . . . 53401 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $software_2 . . 53401 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 ASP N N 15 . 1 1 4 4 ASP H H 1 0.462025316 0.185298935 . . . . . . . . . . 53401 1 2 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.455223881 0.088438209 . . . . . . . . . . 53401 1 3 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.568720379 0.11712383 . . . . . . . . . . 53401 1 4 . 1 1 7 7 HIS N N 15 . 1 1 7 7 HIS H H 1 0.51627907 0.123885523 . . . . . . . . . . 53401 1 5 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.673758865 0.154157858 . . . . . . . . . . 53401 1 6 . 1 1 14 14 ASN N N 15 . 1 1 14 14 ASN H H 1 0.504934211 0.089034205 . . . . . . . . . . 53401 1 7 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.570212766 0.104694486 . . . . . . . . . . 53401 1 8 . 1 1 16 16 TYR N N 15 . 1 1 16 16 TYR H H 1 0.645652174 0.097329888 . . . . . . . . . . 53401 1 9 . 1 1 17 17 PHE N N 15 . 1 1 17 17 PHE H H 1 0.641509434 0.085096355 . . . . . . . . . . 53401 1 10 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.596103896 0.061965812 . . . . . . . . . . 53401 1 11 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.4775 0.141680497 . . . . . . . . . . 53401 1 12 . 1 1 20 20 HIS N N 15 . 1 1 20 20 HIS H H 1 0.60625 0.049014645 . . . . . . . . . . 53401 1 13 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.511111111 0.074717035 . . . . . . . . . . 53401 1 14 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.564136126 0.06502601 . . . . . . . . . . 53401 1 15 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.516304348 0.096302922 . . . . . . . . . . 53401 1 16 . 1 1 25 25 HIS N N 15 . 1 1 25 25 HIS H H 1 0.410891089 0.10616342 . . . . . . . . . . 53401 1 17 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.571167883 0.089877788 . . . . . . . . . . 53401 1 18 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 0.544959128 0.069479939 . . . . . . . . . . 53401 1 19 . 1 1 29 29 VAL N N 15 . 1 1 29 29 VAL H H 1 0.410077519 0.049958541 . . . . . . . . . . 53401 1 20 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.447937132 0.05881338 . . . . . . . . . . 53401 1 21 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.498786408 0.066462949 . . . . . . . . . . 53401 1 22 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.556164384 0.069010583 . . . . . . . . . . 53401 1 23 . 1 1 34 34 TYR N N 15 . 1 1 34 34 TYR H H 1 0.566155989 0.034551836 . . . . . . . . . . 53401 1 24 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.537151703 0.079847431 . . . . . . . . . . 53401 1 25 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.529761905 0.103831069 . . . . . . . . . . 53401 1 26 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.567934783 0.044777642 . . . . . . . . . . 53401 1 27 . 1 1 38 38 THR N N 15 . 1 1 38 38 THR H H 1 0.430913349 0.07238024 . . . . . . . . . . 53401 1 28 . 1 1 40 40 THR N N 15 . 1 1 40 40 THR H H 1 0.51946472 0.064567225 . . . . . . . . . . 53401 1 29 . 1 1 41 41 MET N N 15 . 1 1 41 41 MET H H 1 0.473591549 0.100835138 . . . . . . . . . . 53401 1 30 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.529045643 0.10833079 . . . . . . . . . . 53401 1 31 . 1 1 44 44 SER N N 15 . 1 1 44 44 SER H H 1 0.560810811 0.169304556 . . . . . . . . . . 53401 1 32 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.497863248 0.117170673 . . . . . . . . . . 53401 1 33 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.469387755 0.117987907 . . . . . . . . . . 53401 1 34 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.484227129 0.088320463 . . . . . . . . . . 53401 1 35 . 1 1 50 50 ASP N N 15 . 1 1 50 50 ASP H H 1 0.62704918 0.093872271 . . . . . . . . . . 53401 1 36 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.481651376 0.129772962 . . . . . . . . . . 53401 1 37 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.602459016 0.097117794 . . . . . . . . . . 53401 1 38 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.665289256 0.181234089 . . . . . . . . . . 53401 1 39 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.671122995 0.058145363 . . . . . . . . . . 53401 1 40 . 1 1 55 55 TYR N N 15 . 1 1 55 55 TYR H H 1 0.662436548 0.111207526 . . . . . . . . . . 53401 1 41 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.815909091 0.085621538 . . . . . . . . . . 53401 1 42 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.606060606 0.118770146 . . . . . . . . . . 53401 1 43 . 1 1 58 58 TYR N N 15 . 1 1 58 58 TYR H H 1 0.9 0.140774258 . . . . . . . . . . 53401 1 44 . 1 1 60 60 SER N N 15 . 1 1 60 60 SER H H 1 0.632947977 0.131874299 . . . . . . . . . . 53401 1 45 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.68404908 0.13168964 . . . . . . . . . . 53401 1 46 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.671428571 0.124132791 . . . . . . . . . . 53401 1 47 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 0.623563218 0.132905014 . . . . . . . . . . 53401 1 48 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.461722488 0.140583554 . . . . . . . . . . 53401 1 49 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.735023041 0.093596059 . . . . . . . . . . 53401 1 50 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.623417722 0.072757814 . . . . . . . . . . 53401 1 51 . 1 1 68 68 TYR N N 15 . 1 1 68 68 TYR H H 1 0.631868132 0.062509647 . . . . . . . . . . 53401 1 52 . 1 1 69 69 ASN N N 15 . 1 1 69 69 ASN H H 1 0.613350126 0.058725958 . . . . . . . . . . 53401 1 53 . 1 1 70 70 TYR N N 15 . 1 1 70 70 TYR H H 1 0.551779935 0.040908584 . . . . . . . . . . 53401 1 54 . 1 1 71 71 MET N N 15 . 1 1 71 71 MET H H 1 0.594527363 0.059380822 . . . . . . . . . . 53401 1 55 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.558479532 0.036630944 . . . . . . . . . . 53401 1 56 . 1 1 73 73 ILE N N 15 . 1 1 73 73 ILE H H 1 0.404538341 0.050928401 . . . . . . . . . . 53401 1 57 . 1 1 74 74 GLY N N 15 . 1 1 74 74 GLY H H 1 0.521640091 0.060272045 . . . . . . . . . . 53401 1 58 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.535639413 0.054314211 . . . . . . . . . . 53401 1 59 . 1 1 76 76 THR N N 15 . 1 1 76 76 THR H H 1 0.497695853 0.063335679 . . . . . . . . . . 53401 1 60 . 1 1 77 77 SER N N 15 . 1 1 77 77 SER H H 1 0.475308642 0.117264527 . . . . . . . . . . 53401 1 61 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.424295775 0.110611044 . . . . . . . . . . 53401 1 62 . 1 1 79 79 SER N N 15 . 1 1 79 79 SER H H 1 0.529411765 0.066852692 . . . . . . . . . . 53401 1 63 . 1 1 80 80 LEU N N 15 . 1 1 80 80 LEU H H 1 0.558139535 0.058278508 . . . . . . . . . . 53401 1 64 . 1 1 81 81 LEU N N 15 . 1 1 81 81 LEU H H 1 0.664233577 0.039977105 . . . . . . . . . . 53401 1 65 . 1 1 82 82 ASP N N 15 . 1 1 82 82 ASP H H 1 0.557366362 0.032680442 . . . . . . . . . . 53401 1 66 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 0.483433735 0.084622183 . . . . . . . . . . 53401 1 67 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 0.602484472 0.073429477 . . . . . . . . . . 53401 1 68 . 1 1 85 85 ASN N N 15 . 1 1 85 85 ASN H H 1 0.556379822 0.074646314 . . . . . . . . . . 53401 1 69 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 0.587467363 0.062986088 . . . . . . . . . . 53401 1 70 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.585585586 0.072574346 . . . . . . . . . . 53401 1 71 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.554559043 0.037660811 . . . . . . . . . . 53401 1 72 . 1 1 89 89 LYS N N 15 . 1 1 89 89 LYS H H 1 0.567134269 0.049617144 . . . . . . . . . . 53401 1 73 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.518018018 0.079771438 . . . . . . . . . . 53401 1 74 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.577030812 0.068490951 . . . . . . . . . . 53401 1 75 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.615 0.077673834 . . . . . . . . . . 53401 1 76 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 0.690402477 0.065817375 . . . . . . . . . . 53401 1 77 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.695014663 0.061970277 . . . . . . . . . . 53401 1 78 . 1 1 96 96 TYR N N 15 . 1 1 96 96 TYR H H 1 0.75 0.076587939 . . . . . . . . . . 53401 1 79 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.596646943 0.04691216 . . . . . . . . . . 53401 1 80 . 1 1 98 98 ALA N N 15 . 1 1 98 98 ALA H H 1 0.710826211 0.059250432 . . . . . . . . . . 53401 1 81 . 1 1 99 99 ILE N N 15 . 1 1 99 99 ILE H H 1 0.58 0.069638346 . . . . . . . . . . 53401 1 82 . 1 1 100 100 PHE N N 15 . 1 1 100 100 PHE H H 1 0.629770992 0.058031401 . . . . . . . . . . 53401 1 83 . 1 1 101 101 ASP N N 15 . 1 1 101 101 ASP H H 1 0.494402985 0.051473816 . . . . . . . . . . 53401 1 84 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.494432071 0.061656006 . . . . . . . . . . 53401 1 85 . 1 1 103 103 THR N N 15 . 1 1 103 103 THR H H 1 0.356423174 0.090996469 . . . . . . . . . . 53401 1 86 . 1 1 104 104 THR N N 15 . 1 1 104 104 THR H H 1 0.35 0.102600251 . . . . . . . . . . 53401 1 87 . 1 1 107 107 THR N N 15 . 1 1 107 107 THR H H 1 -0.57142857 0.023424766 . . . . . . . . . . 53401 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 53401 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name RIPK1RHIM_T1_SDS_pH7.6 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 10 'T1/R1 relaxation' . . . 53401 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $software_2 . . 53401 1 3 $software_3 . . 53401 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 ASP N N 15 0.459693443 0.208084374 . . . . . 53401 1 2 . 1 1 6 6 ILE N N 15 0.622000231 0.468513397 . . . . . 53401 1 3 . 1 1 7 7 HIS N N 15 0.586220176 0.315681659 . . . . . 53401 1 4 . 1 1 13 13 GLU N N 15 0.50494776 0.395837021 . . . . . 53401 1 5 . 1 1 14 14 ASN N N 15 0.507726422 0.516344324 . . . . . 53401 1 6 . 1 1 15 15 LEU N N 15 0.647709843 0.40825721 . . . . . 53401 1 7 . 1 1 16 16 TYR N N 15 0.63788185 0.222217962 . . . . . 53401 1 8 . 1 1 17 17 PHE N N 15 0.665269559 0.720018243 . . . . . 53401 1 9 . 1 1 18 18 GLN N N 15 0.646088599 0.49563273 . . . . . 53401 1 10 . 1 1 19 19 GLY N N 15 0.546139172 0.465771825 . . . . . 53401 1 11 . 1 1 20 20 HIS N N 15 0.628608866 0.187934305 . . . . . 53401 1 12 . 1 1 21 21 MET N N 15 0.578774399 0.420299491 . . . . . 53401 1 13 . 1 1 23 23 SER N N 15 0.710405223 0.545937535 . . . . . 53401 1 14 . 1 1 24 24 LEU N N 15 0.733006827 0.525158679 . . . . . 53401 1 15 . 1 1 25 25 HIS N N 15 0.569543626 0.431292425 . . . . . 53401 1 16 . 1 1 26 26 ASN N N 15 0.614448085 0.605833754 . . . . . 53401 1 17 . 1 1 27 27 ILE N N 15 0.755657419 0.74508156 . . . . . 53401 1 18 . 1 1 29 29 VAL N N 15 0.737480708 0.48539418 . . . . . 53401 1 19 . 1 1 31 31 GLU N N 15 0.644770964 0.560305132 . . . . . 53401 1 20 . 1 1 32 32 THR N N 15 0.691488136 0.341512915 . . . . . 53401 1 21 . 1 1 33 33 ASN N N 15 0.492686417 0.352009646 . . . . . 53401 1 22 . 1 1 34 34 TYR N N 15 0.609096362 0.692205494 . . . . . 53401 1 23 . 1 1 35 35 LEU N N 15 0.624602723 0.456893763 . . . . . 53401 1 24 . 1 1 36 36 GLY N N 15 0.569567826 0.438862888 . . . . . 53401 1 25 . 1 1 37 37 ASN N N 15 0.591754434 0.413289719 . . . . . 53401 1 26 . 1 1 38 38 THR N N 15 0.529074531 0.514794036 . . . . . 53401 1 27 . 1 1 40 40 THR N N 15 0.623345956 0.252017172 . . . . . 53401 1 28 . 1 1 41 41 MET N N 15 0.672758176 0.296709409 . . . . . 53401 1 29 . 1 1 43 43 PHE N N 15 0.705356583 0.569709218 . . . . . 53401 1 30 . 1 1 44 44 SER N N 15 0.526948227 0.342634064 . . . . . 53401 1 31 . 1 1 45 45 SER N N 15 0.522056585 0.320338458 . . . . . 53401 1 32 . 1 1 46 46 LEU N N 15 0.656132611 0.435139004 . . . . . 53401 1 33 . 1 1 50 50 ASP N N 15 0.589161403 0.407463113 . . . . . 53401 1 34 . 1 1 51 51 GLU N N 15 0.63050393 0.538913619 . . . . . 53401 1 35 . 1 1 52 52 SER N N 15 0.607110199 0.558833969 . . . . . 53401 1 36 . 1 1 53 53 ILE N N 15 0.714392959 0.549193716 . . . . . 53401 1 37 . 1 1 54 54 LYS N N 15 0.68384846 0.433774017 . . . . . 53401 1 38 . 1 1 55 55 TYR N N 15 0.836025166 0.539827143 . . . . . 53401 1 39 . 1 1 56 56 THR N N 15 0.721006887 0.251915168 . . . . . 53401 1 40 . 1 1 57 57 ILE N N 15 0.762871493 0.526129924 . . . . . 53401 1 41 . 1 1 58 58 TYR N N 15 0.860627066 0.540520674 . . . . . 53401 1 42 . 1 1 59 59 ASN N N 15 0.778509961 0.428732476 . . . . . 53401 1 43 . 1 1 60 60 SER N N 15 0.675341097 0.41171608 . . . . . 53401 1 44 . 1 1 61 61 THR N N 15 0.758267925 0.420411248 . . . . . 53401 1 45 . 1 1 62 62 GLY N N 15 0.740730691 0.433575771 . . . . . 53401 1 46 . 1 1 63 63 ILE N N 15 0.867194723 0.370385368 . . . . . 53401 1 47 . 1 1 64 64 GLN N N 15 0.822042957 0.59680345 . . . . . 53401 1 48 . 1 1 65 65 ILE N N 15 0.82702416 0.495174243 . . . . . 53401 1 49 . 1 1 66 66 GLY N N 15 0.764172965 0.523830845 . . . . . 53401 1 50 . 1 1 67 67 ALA N N 15 0.673414982 0.439427496 . . . . . 53401 1 51 . 1 1 68 68 TYR N N 15 0.813882389 0.660913144 . . . . . 53401 1 52 . 1 1 69 69 ASN N N 15 0.642518008 0.425314464 . . . . . 53401 1 53 . 1 1 70 70 TYR N N 15 0.641768929 0.218509801 . . . . . 53401 1 54 . 1 1 71 71 MET N N 15 0.69788354 0.381171168 . . . . . 53401 1 55 . 1 1 72 72 GLU N N 15 0.636601331 0.617133211 . . . . . 53401 1 56 . 1 1 73 73 ILE N N 15 0.700380937 0.466926888 . . . . . 53401 1 57 . 1 1 74 74 GLY N N 15 0.535760903 0.409932889 . . . . . 53401 1 58 . 1 1 75 75 GLY N N 15 0.513654463 0.508785967 . . . . . 53401 1 59 . 1 1 76 76 THR N N 15 0.470334551 0.331096031 . . . . . 53401 1 60 . 1 1 77 77 SER N N 15 0.53234755 0.226792216 . . . . . 53401 1 61 . 1 1 78 78 SER N N 15 0.507077103 0.411597549 . . . . . 53401 1 62 . 1 1 79 79 SER N N 15 0.555061192 0.455627813 . . . . . 53401 1 63 . 1 1 80 80 LEU N N 15 0.584832218 0.491970357 . . . . . 53401 1 64 . 1 1 81 81 LEU N N 15 0.63044513 0.449637498 . . . . . 53401 1 65 . 1 1 82 82 ASP N N 15 0.621362334 0.495424743 . . . . . 53401 1 66 . 1 1 83 83 SER N N 15 0.503724473 0.38329368 . . . . . 53401 1 67 . 1 1 84 84 THR N N 15 0.50440563 0.465421841 . . . . . 53401 1 68 . 1 1 85 85 ASN N N 15 0.515717655 0.352804733 . . . . . 53401 1 69 . 1 1 86 86 THR N N 15 0.538253724 0.314934114 . . . . . 53401 1 70 . 1 1 87 87 ASN N N 15 0.485246846 0.377477359 . . . . . 53401 1 71 . 1 1 88 88 PHE N N 15 0.616902022 0.386154999 . . . . . 53401 1 72 . 1 1 89 89 LYS N N 15 0.616045735 0.232418754 . . . . . 53401 1 73 . 1 1 90 90 GLU N N 15 0.709944323 0.598342074 . . . . . 53401 1 74 . 1 1 91 91 GLU N N 15 0.644830553 0.575662907 . . . . . 53401 1 75 . 1 1 93 93 ALA N N 15 0.717544464 0.498775688 . . . . . 53401 1 76 . 1 1 94 94 ALA N N 15 0.730131585 0.460600088 . . . . . 53401 1 77 . 1 1 95 95 LYS N N 15 0.699651973 0.364671706 . . . . . 53401 1 78 . 1 1 96 96 TYR N N 15 0.68776851 0.358557727 . . . . . 53401 1 79 . 1 1 97 97 GLN N N 15 0.596880428 0.532993016 . . . . . 53401 1 80 . 1 1 98 98 ALA N N 15 0.702901194 0.329890624 . . . . . 53401 1 81 . 1 1 99 99 ILE N N 15 0.752822224 0.513105333 . . . . . 53401 1 82 . 1 1 100 100 PHE N N 15 0.651542419 0.386536998 . . . . . 53401 1 83 . 1 1 101 101 ASP N N 15 0.586220176 0.342406694 . . . . . 53401 1 84 . 1 1 102 102 ASN N N 15 0.493827579 0.319130038 . . . . . 53401 1 85 . 1 1 103 103 THR N N 15 0.477231272 0.416190816 . . . . . 53401 1 86 . 1 1 104 104 THR N N 15 0.461804272 0.33982811 . . . . . 53401 1 87 . 1 1 105 105 SER N N 15 0.430534102 0.295639073 . . . . . 53401 1 88 . 1 1 106 106 LEU N N 15 0.542856932 0.380910779 . . . . . 53401 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode heteronucl_T1rho_relaxation_1 _Heteronucl_T1rho_list.Entry_ID 53401 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name RIPK1RHIM_T1rho_SDS_pH7.6 _Heteronucl_T1rho_list.Sample_condition_list_ID 1 _Heteronucl_T1rho_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1rho_list.Spectrometer_frequency_1H 800 _Heteronucl_T1rho_list.Temp_calibration_method 'pulse program loop for compensation of heating effects' _Heteronucl_T1rho_list.Temp_control_method hsqctretf3gpsi _Heteronucl_T1rho_list.T1rho_coherence_type S(+,-) _Heteronucl_T1rho_list.T1rho_val_units s _Heteronucl_T1rho_list.Rex_units / _Heteronucl_T1rho_list.Details 'No Rex values were determined' _Heteronucl_T1rho_list.Text_data_format . _Heteronucl_T1rho_list.Text_data . loop_ _Heteronucl_T1rho_experiment.Experiment_ID _Heteronucl_T1rho_experiment.Experiment_name _Heteronucl_T1rho_experiment.Sample_ID _Heteronucl_T1rho_experiment.Sample_label _Heteronucl_T1rho_experiment.Sample_state _Heteronucl_T1rho_experiment.Entry_ID _Heteronucl_T1rho_experiment.Heteronucl_T1rho_list_ID 11 'T1rho/R1rho relaxation' . . . 53401 1 stop_ loop_ _Heteronucl_T1rho_software.Software_ID _Heteronucl_T1rho_software.Software_label _Heteronucl_T1rho_software.Method_ID _Heteronucl_T1rho_software.Method_label _Heteronucl_T1rho_software.Entry_ID _Heteronucl_T1rho_software.Heteronucl_T1rho_list_ID 2 $software_2 . . 53401 1 3 $software_3 . . 53401 1 stop_ loop_ _T1rho.ID _T1rho.Assembly_atom_ID _T1rho.Entity_assembly_ID _T1rho.Entity_ID _T1rho.Comp_index_ID _T1rho.Seq_ID _T1rho.Comp_ID _T1rho.Atom_ID _T1rho.Atom_type _T1rho.Atom_isotope_number _T1rho.T1rho_val _T1rho.T1rho_val_err _T1rho.Rex_val _T1rho.Rex_val_err _T1rho.Resonance_ID _T1rho.Auth_entity_assembly_ID _T1rho.Auth_seq_ID _T1rho.Auth_comp_ID _T1rho.Auth_atom_ID _T1rho.Entry_ID _T1rho.Heteronucl_T1rho_list_ID 1 . 1 1 5 5 LYS N N 15 0.087064991 0.001649111 . . . . . . . 53401 1 2 . 1 1 6 6 ILE N N 15 0.065276438 0.004692406 . . . . . . . 53401 1 3 . 1 1 7 7 HIS N N 15 0.080863398 0.007127325 . . . . . . . 53401 1 4 . 1 1 13 13 GLU N N 15 0.06114361 0.006672102 . . . . . . . 53401 1 5 . 1 1 14 14 ASN N N 15 0.07246757 0.005356207 . . . . . . . 53401 1 6 . 1 1 15 15 LEU N N 15 0.080974776 0.009733799 . . . . . . . 53401 1 7 . 1 1 16 16 TYR N N 15 0.076622804 0.007668558 . . . . . . . 53401 1 8 . 1 1 17 17 PHE N N 15 0.063078197 0.0146436 . . . . . . . 53401 1 9 . 1 1 18 18 GLN N N 15 0.062808851 0.004928962 . . . . . . . 53401 1 10 . 1 1 20 20 HIS N N 15 0.069366329 0.001817953 . . . . . . . 53401 1 11 . 1 1 21 21 MET N N 15 0.079107944 0.015941127 . . . . . . . 53401 1 12 . 1 1 23 23 SER N N 15 0.086746233 0.003537804 . . . . . . . 53401 1 13 . 1 1 24 24 LEU N N 15 0.074608028 0.00215969 . . . . . . . 53401 1 14 . 1 1 25 25 HIS N N 15 0.071116094 0.007525075 . . . . . . . 53401 1 15 . 1 1 26 26 ASN N N 15 0.077665352 0.002731191 . . . . . . . 53401 1 16 . 1 1 27 27 ILE N N 15 0.094381585 0.001023534 . . . . . . . 53401 1 17 . 1 1 29 29 VAL N N 15 0.104631708 0.004270091 . . . . . . . 53401 1 18 . 1 1 31 31 GLU N N 15 0.09957406 0.00328859 . . . . . . . 53401 1 19 . 1 1 32 32 THR N N 15 0.107281983 0.002286074 . . . . . . . 53401 1 20 . 1 1 33 33 ASN N N 15 0.112979941 0.011216168 . . . . . . . 53401 1 21 . 1 1 34 34 TYR N N 15 0.093142789 0.003688027 . . . . . . . 53401 1 22 . 1 1 35 35 LEU N N 15 0.082172292 0.007189811 . . . . . . . 53401 1 23 . 1 1 36 36 GLY N N 15 0.118568294 0.008961245 . . . . . . . 53401 1 24 . 1 1 37 37 ASN N N 15 0.08629684 0.008085326 . . . . . . . 53401 1 25 . 1 1 38 38 THR N N 15 0.128413268 0.001513271 . . . . . . . 53401 1 26 . 1 1 40 40 THR N N 15 0.107700011 0.004763228 . . . . . . . 53401 1 27 . 1 1 41 41 MET N N 15 0.100999848 0.002724572 . . . . . . . 53401 1 28 . 1 1 43 43 PHE N N 15 0.096317446 0.003916371 . . . . . . . 53401 1 29 . 1 1 44 44 SER N N 15 0.112282785 0.011202714 . . . . . . . 53401 1 30 . 1 1 45 45 SER N N 15 0.098822441 0.002769506 . . . . . . . 53401 1 31 . 1 1 46 46 LEU N N 15 0.113312049 0.00307309 . . . . . . . 53401 1 32 . 1 1 49 49 THR N N 15 0.099029134 0.015713751 . . . . . . . 53401 1 33 . 1 1 50 50 ASP N N 15 0.090817221 0.002390225 . . . . . . . 53401 1 34 . 1 1 51 51 GLU N N 15 0.074026447 0.009413416 . . . . . . . 53401 1 35 . 1 1 52 52 SER N N 15 0.074861034 0.010233892 . . . . . . . 53401 1 36 . 1 1 54 54 LYS N N 15 0.059182839 0.008149876 . . . . . . . 53401 1 37 . 1 1 55 55 TYR N N 15 0.056376016 0.004852807 . . . . . . . 53401 1 38 . 1 1 56 56 THR N N 15 0.053363286 0.001276595 . . . . . . . 53401 1 39 . 1 1 57 57 ILE N N 15 0.064145002 0.012589033 . . . . . . . 53401 1 40 . 1 1 58 58 TYR N N 15 0.048699119 0.013029622 . . . . . . . 53401 1 41 . 1 1 59 59 ASN N N 15 0.053472503 0.005866711 . . . . . . . 53401 1 42 . 1 1 60 60 SER N N 15 0.060692457 0.006248209 . . . . . . . 53401 1 43 . 1 1 61 61 THR N N 15 0.044372218 0.011001257 . . . . . . . 53401 1 44 . 1 1 62 62 GLY N N 15 0.06624119 0.004723012 . . . . . . . 53401 1 45 . 1 1 63 63 ILE N N 15 0.065660712 0.003972744 . . . . . . . 53401 1 46 . 1 1 64 64 GLN N N 15 0.058970982 0.010274452 . . . . . . . 53401 1 47 . 1 1 65 65 ILE N N 15 0.067895221 0.007016121 . . . . . . . 53401 1 48 . 1 1 66 66 GLY N N 15 0.060996563 0.001993021 . . . . . . . 53401 1 49 . 1 1 67 67 ALA N N 15 0.075495249 0.004775465 . . . . . . . 53401 1 50 . 1 1 68 68 TYR N N 15 0.072712249 0.00072139 . . . . . . . 53401 1 51 . 1 1 69 69 ASN N N 15 0.075472553 0.001707887 . . . . . . . 53401 1 52 . 1 1 70 70 TYR N N 15 0.078697491 0.004317961 . . . . . . . 53401 1 53 . 1 1 71 71 MET N N 15 0.070597409 0.001184176 . . . . . . . 53401 1 54 . 1 1 72 72 GLU N N 15 0.080658523 0.000544283 . . . . . . . 53401 1 55 . 1 1 73 73 ILE N N 15 0.094808922 0.003587306 . . . . . . . 53401 1 56 . 1 1 74 74 GLY N N 15 0.096801688 0.002416207 . . . . . . . 53401 1 57 . 1 1 75 75 GLY N N 15 0.127518615 0.002623317 . . . . . . . 53401 1 58 . 1 1 76 76 THR N N 15 0.111365251 0.010641128 . . . . . . . 53401 1 59 . 1 1 77 77 SER N N 15 0.102394732 0.003106646 . . . . . . . 53401 1 60 . 1 1 78 78 SER N N 15 0.111053368 0.009205852 . . . . . . . 53401 1 61 . 1 1 79 79 SER N N 15 0.091283009 0.011358194 . . . . . . . 53401 1 62 . 1 1 80 80 LEU N N 15 0.086838312 0.003389265 . . . . . . . 53401 1 63 . 1 1 81 81 LEU N N 15 0.084667012 0.002868273 . . . . . . . 53401 1 64 . 1 1 82 82 ASP N N 15 0.082453457 0.000592183 . . . . . . . 53401 1 65 . 1 1 83 83 SER N N 15 0.089992659 0.011328265 . . . . . . . 53401 1 66 . 1 1 84 84 THR N N 15 0.094537109 0.002184874 . . . . . . . 53401 1 67 . 1 1 85 85 ASN N N 15 0.101244535 0.016704852 . . . . . . . 53401 1 68 . 1 1 86 86 THR N N 15 0.10985556 0.008122311 . . . . . . . 53401 1 69 . 1 1 87 87 ASN N N 15 0.103013956 0.006410609 . . . . . . . 53401 1 70 . 1 1 88 88 PHE N N 15 0.092031739 0.00739309 . . . . . . . 53401 1 71 . 1 1 89 89 LYS N N 15 0.078986845 0.004322847 . . . . . . . 53401 1 72 . 1 1 90 90 GLU N N 15 0.076493562 0.005335858 . . . . . . . 53401 1 73 . 1 1 91 91 GLU N N 15 0.080027588 0.003331615 . . . . . . . 53401 1 74 . 1 1 93 93 ALA N N 15 0.0526438 0.001718695 . . . . . . . 53401 1 75 . 1 1 94 94 ALA N N 15 0.06729011 0.003628586 . . . . . . . 53401 1 76 . 1 1 95 95 LYS N N 15 0.068774966 0.002526718 . . . . . . . 53401 1 77 . 1 1 96 96 TYR N N 15 0.06958824 0.006063439 . . . . . . . 53401 1 78 . 1 1 97 97 GLN N N 15 0.078253583 0.007489297 . . . . . . . 53401 1 79 . 1 1 98 98 ALA N N 15 0.067579979 0.006069786 . . . . . . . 53401 1 80 . 1 1 99 99 ILE N N 15 0.071234566 0.00316614 . . . . . . . 53401 1 81 . 1 1 100 100 PHE N N 15 0.072648881 0.001010757 . . . . . . . 53401 1 82 . 1 1 101 101 ASP N N 15 0.104636207 0.000681589 . . . . . . . 53401 1 83 . 1 1 102 102 ASN N N 15 0.136190436 0.005757294 . . . . . . . 53401 1 84 . 1 1 103 103 THR N N 15 0.15843584 0.013570422 . . . . . . . 53401 1 85 . 1 1 104 104 THR N N 15 0.169731386 0.007967715 . . . . . . . 53401 1 86 . 1 1 105 105 SER N N 15 0.240736502 0.012950017 . . . . . . . 53401 1 87 . 1 1 106 106 LEU N N 15 0.29297394 0.010865241 . . . . . . . 53401 1 88 . 1 1 107 107 THR N N 15 0.366906011 0.002382835 . . . . . . . 53401 1 stop_ save_