data_51175 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51175 _Entry.Title ; NMR assignments for the C-terminal domain of human RIPK3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-10 _Entry.Accession_date 2021-11-10 _Entry.Last_release_date 2021-11-10 _Entry.Original_release_date 2021-11-10 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; NMR assignments for the C-terminal domain of human RIPK3. Co-funded by the European Union (ERC, 101042403 - BiFOLDOME). Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or the European Research Council. Neither the European Union nor the granting authority can be held responsible for them. ; _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 'Gustavo Alfredo' 'Titaux Delgado' . . . . 51175 2 Chi Pham . . . . 51175 3 Margaret Sunde . . . . 51175 4 Miguel Mompean . . . . 51175 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51175 coupling_constants 1 51175 heteronucl_T1_relaxation 1 51175 heteronucl_T1rho_relaxation 1 51175 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 449 51175 '15N chemical shifts' 126 51175 '1H chemical shifts' 428 51175 'T1 relaxation values' 112 51175 'T1rho relaxation values' 112 51175 'coupling constants' 84 51175 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 3 . . 2023-04-14 2021-11-10 update BMRB 'update entry citation' 51175 2 . . 2023-03-08 2021-11-10 update author 'update entry citation' 51175 1 . . 2022-11-10 2021-11-10 original author 'original release' 51175 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51175 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36870681 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR characterization of an assembling RHIM (RIP Homotypic Interaction Motif) amyloid reveals a cryptic region for self-recognition ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 299 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 104568 _Citation.Page_last 104568 _Citation.Year 2023 _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 ChiL Pham C. L. . . 51175 1 2 GustavoA Titaux-Delgado G. . . . 51175 1 3 NikhilR Varghese N. . . . 51175 1 4 Paula Polonio P. . . . 51175 1 5 KarynL Wilde K. . . . 51175 1 6 Margaret Sunde M. . . . 51175 1 7 Miguel Mompean M. . . . 51175 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51175 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of RIPK3' _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 'C-terminal domain of RIPK3' 1 $entity_1 . . yes native no no . . . 51175 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51175 _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 ; GSSSDSMAQPPQTPETSTFR NQMPSPTSTGTPSPGPRGNQ GAERQGMNWSCRTPEPNPVT GRPLVNIYNCSGVQVGDNNY LTMQQTTALPTWGLAPSGKG RGLQHPPPVGSQEGPKDPEA WSRPQGWYNHSGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 386-518 _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 386 GLY . 51175 1 2 387 SER . 51175 1 3 388 SER . 51175 1 4 389 SER . 51175 1 5 390 ASP . 51175 1 6 391 SER . 51175 1 7 392 MET . 51175 1 8 393 ALA . 51175 1 9 394 GLN . 51175 1 10 395 PRO . 51175 1 11 396 PRO . 51175 1 12 397 GLN . 51175 1 13 398 THR . 51175 1 14 399 PRO . 51175 1 15 400 GLU . 51175 1 16 401 THR . 51175 1 17 402 SER . 51175 1 18 403 THR . 51175 1 19 404 PHE . 51175 1 20 405 ARG . 51175 1 21 406 ASN . 51175 1 22 407 GLN . 51175 1 23 408 MET . 51175 1 24 409 PRO . 51175 1 25 410 SER . 51175 1 26 411 PRO . 51175 1 27 412 THR . 51175 1 28 413 SER . 51175 1 29 414 THR . 51175 1 30 415 GLY . 51175 1 31 416 THR . 51175 1 32 417 PRO . 51175 1 33 418 SER . 51175 1 34 419 PRO . 51175 1 35 420 GLY . 51175 1 36 421 PRO . 51175 1 37 422 ARG . 51175 1 38 423 GLY . 51175 1 39 424 ASN . 51175 1 40 425 GLN . 51175 1 41 426 GLY . 51175 1 42 427 ALA . 51175 1 43 428 GLU . 51175 1 44 429 ARG . 51175 1 45 430 GLN . 51175 1 46 431 GLY . 51175 1 47 432 MET . 51175 1 48 433 ASN . 51175 1 49 434 TRP . 51175 1 50 435 SER . 51175 1 51 436 CYS . 51175 1 52 437 ARG . 51175 1 53 438 THR . 51175 1 54 439 PRO . 51175 1 55 440 GLU . 51175 1 56 441 PRO . 51175 1 57 442 ASN . 51175 1 58 443 PRO . 51175 1 59 444 VAL . 51175 1 60 445 THR . 51175 1 61 446 GLY . 51175 1 62 447 ARG . 51175 1 63 448 PRO . 51175 1 64 449 LEU . 51175 1 65 450 VAL . 51175 1 66 451 ASN . 51175 1 67 452 ILE . 51175 1 68 453 TYR . 51175 1 69 454 ASN . 51175 1 70 455 CYS . 51175 1 71 456 SER . 51175 1 72 457 GLY . 51175 1 73 458 VAL . 51175 1 74 459 GLN . 51175 1 75 460 VAL . 51175 1 76 461 GLY . 51175 1 77 462 ASP . 51175 1 78 463 ASN . 51175 1 79 464 ASN . 51175 1 80 465 TYR . 51175 1 81 466 LEU . 51175 1 82 467 THR . 51175 1 83 468 MET . 51175 1 84 469 GLN . 51175 1 85 470 GLN . 51175 1 86 471 THR . 51175 1 87 472 THR . 51175 1 88 473 ALA . 51175 1 89 474 LEU . 51175 1 90 475 PRO . 51175 1 91 476 THR . 51175 1 92 477 TRP . 51175 1 93 478 GLY . 51175 1 94 479 LEU . 51175 1 95 480 ALA . 51175 1 96 481 PRO . 51175 1 97 482 SER . 51175 1 98 483 GLY . 51175 1 99 484 LYS . 51175 1 100 485 GLY . 51175 1 101 486 ARG . 51175 1 102 487 GLY . 51175 1 103 488 LEU . 51175 1 104 489 GLN . 51175 1 105 490 HIS . 51175 1 106 491 PRO . 51175 1 107 492 PRO . 51175 1 108 493 PRO . 51175 1 109 494 VAL . 51175 1 110 495 GLY . 51175 1 111 496 SER . 51175 1 112 497 GLN . 51175 1 113 498 GLU . 51175 1 114 499 GLY . 51175 1 115 500 PRO . 51175 1 116 501 LYS . 51175 1 117 502 ASP . 51175 1 118 503 PRO . 51175 1 119 504 GLU . 51175 1 120 505 ALA . 51175 1 121 506 TRP . 51175 1 122 507 SER . 51175 1 123 508 ARG . 51175 1 124 509 PRO . 51175 1 125 510 GLN . 51175 1 126 511 GLY . 51175 1 127 512 TRP . 51175 1 128 513 TYR . 51175 1 129 514 ASN . 51175 1 130 515 HIS . 51175 1 131 516 SER . 51175 1 132 517 GLY . 51175 1 133 518 LYS . 51175 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 . GLY 1 1 51175 1 . SER 2 2 51175 1 . SER 3 3 51175 1 . SER 4 4 51175 1 . ASP 5 5 51175 1 . SER 6 6 51175 1 . MET 7 7 51175 1 . ALA 8 8 51175 1 . GLN 9 9 51175 1 . PRO 10 10 51175 1 . PRO 11 11 51175 1 . GLN 12 12 51175 1 . THR 13 13 51175 1 . PRO 14 14 51175 1 . GLU 15 15 51175 1 . THR 16 16 51175 1 . SER 17 17 51175 1 . THR 18 18 51175 1 . PHE 19 19 51175 1 . ARG 20 20 51175 1 . ASN 21 21 51175 1 . GLN 22 22 51175 1 . MET 23 23 51175 1 . PRO 24 24 51175 1 . SER 25 25 51175 1 . PRO 26 26 51175 1 . THR 27 27 51175 1 . SER 28 28 51175 1 . THR 29 29 51175 1 . GLY 30 30 51175 1 . THR 31 31 51175 1 . PRO 32 32 51175 1 . SER 33 33 51175 1 . PRO 34 34 51175 1 . GLY 35 35 51175 1 . PRO 36 36 51175 1 . ARG 37 37 51175 1 . GLY 38 38 51175 1 . ASN 39 39 51175 1 . GLN 40 40 51175 1 . GLY 41 41 51175 1 . ALA 42 42 51175 1 . GLU 43 43 51175 1 . ARG 44 44 51175 1 . GLN 45 45 51175 1 . GLY 46 46 51175 1 . MET 47 47 51175 1 . ASN 48 48 51175 1 . TRP 49 49 51175 1 . SER 50 50 51175 1 . CYS 51 51 51175 1 . ARG 52 52 51175 1 . THR 53 53 51175 1 . PRO 54 54 51175 1 . GLU 55 55 51175 1 . PRO 56 56 51175 1 . ASN 57 57 51175 1 . PRO 58 58 51175 1 . VAL 59 59 51175 1 . THR 60 60 51175 1 . GLY 61 61 51175 1 . ARG 62 62 51175 1 . PRO 63 63 51175 1 . LEU 64 64 51175 1 . VAL 65 65 51175 1 . ASN 66 66 51175 1 . ILE 67 67 51175 1 . TYR 68 68 51175 1 . ASN 69 69 51175 1 . CYS 70 70 51175 1 . SER 71 71 51175 1 . GLY 72 72 51175 1 . VAL 73 73 51175 1 . GLN 74 74 51175 1 . VAL 75 75 51175 1 . GLY 76 76 51175 1 . ASP 77 77 51175 1 . ASN 78 78 51175 1 . ASN 79 79 51175 1 . TYR 80 80 51175 1 . LEU 81 81 51175 1 . THR 82 82 51175 1 . MET 83 83 51175 1 . GLN 84 84 51175 1 . GLN 85 85 51175 1 . THR 86 86 51175 1 . THR 87 87 51175 1 . ALA 88 88 51175 1 . LEU 89 89 51175 1 . PRO 90 90 51175 1 . THR 91 91 51175 1 . TRP 92 92 51175 1 . GLY 93 93 51175 1 . LEU 94 94 51175 1 . ALA 95 95 51175 1 . PRO 96 96 51175 1 . SER 97 97 51175 1 . GLY 98 98 51175 1 . LYS 99 99 51175 1 . GLY 100 100 51175 1 . ARG 101 101 51175 1 . GLY 102 102 51175 1 . LEU 103 103 51175 1 . GLN 104 104 51175 1 . HIS 105 105 51175 1 . PRO 106 106 51175 1 . PRO 107 107 51175 1 . PRO 108 108 51175 1 . VAL 109 109 51175 1 . GLY 110 110 51175 1 . SER 111 111 51175 1 . GLN 112 112 51175 1 . GLU 113 113 51175 1 . GLY 114 114 51175 1 . PRO 115 115 51175 1 . LYS 116 116 51175 1 . ASP 117 117 51175 1 . PRO 118 118 51175 1 . GLU 119 119 51175 1 . ALA 120 120 51175 1 . TRP 121 121 51175 1 . SER 122 122 51175 1 . ARG 123 123 51175 1 . PRO 124 124 51175 1 . GLN 125 125 51175 1 . GLY 126 126 51175 1 . TRP 127 127 51175 1 . TYR 128 128 51175 1 . ASN 129 129 51175 1 . HIS 130 130 51175 1 . SER 131 131 51175 1 . GLY 132 132 51175 1 . LYS 133 133 51175 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 51175 _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 . . . . . . . . . . . . . 51175 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 51175 _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 . . pMAL . . . 51175 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51175 _Sample.ID 1 _Sample.Name 'C-terminal domain of RIPK3' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal domain of RIPK3' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 18 . . uM . . . . 51175 1 2 'C-terminal domain of RIPK3' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 180 . . uM . . . . 51175 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 51175 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 51175 1 pH 4 . pH 51175 1 pressure 1 . atm 51175 1 temperature 298 . K 51175 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51175 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51175 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51175 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVNEO 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 51175 _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 . . . . . . . . . . . . . . . . . 51175 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 10 '3D HNHA gp' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 11 'HSQC T1 etf 3gpsi' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 1 12 'HSQC T ref 3gpsi' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51175 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 51175 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'C-terminal domain of RIPK3' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 51175 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51175 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51175 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 51175 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'C-terminal domain of RIPK3' _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 'There is an interresidue ambiguity (ambiguity code 5) for residues SER 410 and SER 418.' _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' . . . 51175 1 2 '3D HNCA' . . . 51175 1 3 '3D HNCACB' . . . 51175 1 4 '3D CBCA(CO)NH' . . . 51175 1 5 '3D HNCO' . . . 51175 1 6 '3D HN(CA)CO' . . . 51175 1 7 '3D C(CO)NH' . . . 51175 1 8 '3D HBHA(CO)NH' . . . 51175 1 9 '3D HNHA' . . . 51175 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 1 $software_1 . . 51175 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 1 1 GLY HA2 H 1 3.905 0.00 . . . . . . . 386 GLY QA . 51175 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.905 0.00 . . . . . . . 386 GLY QA . 51175 1 3 . 1 . 1 1 1 GLY C C 13 170.311 0.01 . . . . . . . 386 GLY C . 51175 1 4 . 1 . 1 1 1 GLY CA C 13 43.356 0.09 . . . . . . . 386 GLY CA . 51175 1 5 . 1 . 1 2 2 SER H H 1 8.723 0.00 . . . . . . . 387 SER H . 51175 1 6 . 1 . 1 2 2 SER HA H 1 4.577 0.00 . . . . . . . 387 SER HA . 51175 1 7 . 1 . 1 2 2 SER HB2 H 1 3.868 0.00 . . . . . . . 387 SER HB2 . 51175 1 8 . 1 . 1 2 2 SER HB3 H 1 3.915 0.00 . . . . . . . 387 SER HB3 . 51175 1 9 . 1 . 1 2 2 SER C C 13 174.832 0.01 . . . . . . . 387 SER C . 51175 1 10 . 1 . 1 2 2 SER CA C 13 58.326 0.00 . . . . . . . 387 SER CA . 51175 1 11 . 1 . 1 2 2 SER CB C 13 64.121 0.01 . . . . . . . 387 SER CB . 51175 1 12 . 1 . 1 2 2 SER N N 15 115.904 0.02 . . . . . . . 387 SER N . 51175 1 13 . 1 . 1 3 3 SER H H 1 8.594 0.00 . . . . . . . 388 SER H . 51175 1 14 . 1 . 1 3 3 SER HA H 1 4.511 0.00 . . . . . . . 388 SER HA . 51175 1 15 . 1 . 1 3 3 SER HB2 H 1 3.879 0.00 . . . . . . . 388 SER HB2 . 51175 1 16 . 1 . 1 3 3 SER HB3 H 1 3.938 0.00 . . . . . . . 388 SER HB3 . 51175 1 17 . 1 . 1 3 3 SER C C 13 174.885 0.01 . . . . . . . 388 SER C . 51175 1 18 . 1 . 1 3 3 SER CA C 13 58.603 0.03 . . . . . . . 388 SER CA . 51175 1 19 . 1 . 1 3 3 SER CB C 13 63.772 0.00 . . . . . . . 388 SER CB . 51175 1 20 . 1 . 1 3 3 SER N N 15 118.141 0.03 . . . . . . . 388 SER N . 51175 1 21 . 1 . 1 4 4 SER H H 1 8.386 0.00 . . . . . . . 389 SER H . 51175 1 22 . 1 . 1 4 4 SER HA H 1 4.454 0.00 . . . . . . . 389 SER HA . 51175 1 23 . 1 . 1 4 4 SER HB2 H 1 3.841 0.00 . . . . . . . 389 SER HB2 . 51175 1 24 . 1 . 1 4 4 SER HB3 H 1 3.900 0.00 . . . . . . . 389 SER HB3 . 51175 1 25 . 1 . 1 4 4 SER C C 13 174.529 0.00 . . . . . . . 389 SER C . 51175 1 26 . 1 . 1 4 4 SER CA C 13 58.711 0.03 . . . . . . . 389 SER CA . 51175 1 27 . 1 . 1 4 4 SER CB C 13 63.637 0.00 . . . . . . . 389 SER CB . 51175 1 28 . 1 . 1 4 4 SER N N 15 117.456 0.03 . . . . . . . 389 SER N . 51175 1 29 . 1 . 1 5 5 ASP H H 1 8.277 0.00 . . . . . . . 390 ASP H . 51175 1 30 . 1 . 1 5 5 ASP HA H 1 4.655 0.00 . . . . . . . 390 ASP HA . 51175 1 31 . 1 . 1 5 5 ASP HB2 H 1 2.718 0.00 . . . . . . . 390 ASP HB2 . 51175 1 32 . 1 . 1 5 5 ASP HB3 H 1 2.778 0.00 . . . . . . . 390 ASP HB3 . 51175 1 33 . 1 . 1 5 5 ASP C C 13 176.251 0.03 . . . . . . . 390 ASP C . 51175 1 34 . 1 . 1 5 5 ASP CA C 13 54.289 0.12 . . . . . . . 390 ASP CA . 51175 1 35 . 1 . 1 5 5 ASP CB C 13 40.354 0.05 . . . . . . . 390 ASP CB . 51175 1 36 . 1 . 1 5 5 ASP N N 15 121.890 0.03 . . . . . . . 390 ASP N . 51175 1 37 . 1 . 1 6 6 SER H H 1 8.215 0.01 . . . . . . . 391 SER H . 51175 1 38 . 1 . 1 6 6 SER HA H 1 4.397 0.00 . . . . . . . 391 SER HA . 51175 1 39 . 1 . 1 6 6 SER HB2 H 1 3.845 0.00 . . . . . . . 391 SER HB2 . 51175 1 40 . 1 . 1 6 6 SER HB3 H 1 3.893 0.00 . . . . . . . 391 SER HB3 . 51175 1 41 . 1 . 1 6 6 SER C C 13 174.655 0.02 . . . . . . . 391 SER C . 51175 1 42 . 1 . 1 6 6 SER CA C 13 58.762 0.04 . . . . . . . 391 SER CA . 51175 1 43 . 1 . 1 6 6 SER CB C 13 63.711 0.00 . . . . . . . 391 SER CB . 51175 1 44 . 1 . 1 6 6 SER N N 15 116.061 0.03 . . . . . . . 391 SER N . 51175 1 45 . 1 . 1 7 7 MET H H 1 8.256 0.00 . . . . . . . 392 MET H . 51175 1 46 . 1 . 1 7 7 MET HA H 1 4.466 0.00 . . . . . . . 392 MET HA . 51175 1 47 . 1 . 1 7 7 MET HB2 H 1 2.002 0.00 . . . . . . . 392 MET HB2 . 51175 1 48 . 1 . 1 7 7 MET HB3 H 1 2.100 0.00 . . . . . . . 392 MET HB3 . 51175 1 49 . 1 . 1 7 7 MET C C 13 175.856 0.01 . . . . . . . 392 MET C . 51175 1 50 . 1 . 1 7 7 MET CA C 13 55.473 0.02 . . . . . . . 392 MET CA . 51175 1 51 . 1 . 1 7 7 MET CB C 13 32.744 0.00 . . . . . . . 392 MET CB . 51175 1 52 . 1 . 1 7 7 MET CG C 13 32.139 0.00 . . . . . . . 392 MET CG . 51175 1 53 . 1 . 1 7 7 MET N N 15 121.837 0.07 . . . . . . . 392 MET N . 51175 1 54 . 1 . 1 8 8 ALA H H 1 8.148 0.00 . . . . . . . 393 ALA H . 51175 1 55 . 1 . 1 8 8 ALA HA H 1 4.290 0.00 . . . . . . . 393 ALA HA . 51175 1 56 . 1 . 1 8 8 ALA HB1 H 1 1.355 0.00 . . . . . . . 393 ALA MB . 51175 1 57 . 1 . 1 8 8 ALA HB2 H 1 1.355 0.00 . . . . . . . 393 ALA MB . 51175 1 58 . 1 . 1 8 8 ALA HB3 H 1 1.355 0.00 . . . . . . . 393 ALA MB . 51175 1 59 . 1 . 1 8 8 ALA C C 13 177.348 0.01 . . . . . . . 393 ALA C . 51175 1 60 . 1 . 1 8 8 ALA CA C 13 52.424 0.05 . . . . . . . 393 ALA CA . 51175 1 61 . 1 . 1 8 8 ALA CB C 13 19.175 0.02 . . . . . . . 393 ALA CB . 51175 1 62 . 1 . 1 8 8 ALA N N 15 124.946 0.04 . . . . . . . 393 ALA N . 51175 1 63 . 1 . 1 9 9 GLN H H 1 8.263 0.00 . . . . . . . 394 GLN H . 51175 1 64 . 1 . 1 9 9 GLN HA H 1 4.596 0.00 . . . . . . . 394 GLN HA . 51175 1 65 . 1 . 1 9 9 GLN C C 13 173.562 0.02 . . . . . . . 394 GLN C . 51175 1 66 . 1 . 1 9 9 GLN CA C 13 53.459 0.03 . . . . . . . 394 GLN CA . 51175 1 67 . 1 . 1 9 9 GLN CB C 13 29.031 0.00 . . . . . . . 394 GLN CB . 51175 1 68 . 1 . 1 9 9 GLN N N 15 120.637 0.05 . . . . . . . 394 GLN N . 51175 1 69 . 1 . 1 10 10 PRO N N 15 138.732 0.00 . . . . . . . 395 PRO N . 51175 1 70 . 1 . 1 11 11 PRO HA H 1 4.411 0.00 . . . . . . . 396 PRO HA . 51175 1 71 . 1 . 1 11 11 PRO HB2 H 1 1.896 0.00 . . . . . . . 396 PRO HB2 . 51175 1 72 . 1 . 1 11 11 PRO HB3 H 1 2.285 0.00 . . . . . . . 396 PRO HB3 . 51175 1 73 . 1 . 1 11 11 PRO C C 13 176.896 0.01 . . . . . . . 396 PRO C . 51175 1 74 . 1 . 1 11 11 PRO CA C 13 63.076 0.06 . . . . . . . 396 PRO CA . 51175 1 75 . 1 . 1 11 11 PRO CB C 13 32.129 0.06 . . . . . . . 396 PRO CB . 51175 1 76 . 1 . 1 11 11 PRO CG C 13 27.283 0.00 . . . . . . . 396 PRO CG . 51175 1 77 . 1 . 1 11 11 PRO CD C 13 50.300 0.00 . . . . . . . 396 PRO CD . 51175 1 78 . 1 . 1 12 12 GLN H H 1 8.487 0.01 . . . . . . . 397 GLN H . 51175 1 79 . 1 . 1 12 12 GLN HA H 1 4.329 0.01 . . . . . . . 397 GLN HA . 51175 1 80 . 1 . 1 12 12 GLN HB2 H 1 1.945 0.00 . . . . . . . 397 GLN HB2 . 51175 1 81 . 1 . 1 12 12 GLN HB3 H 1 2.071 0.00 . . . . . . . 397 GLN HB3 . 51175 1 82 . 1 . 1 12 12 GLN C C 13 175.965 0.01 . . . . . . . 397 GLN C . 51175 1 83 . 1 . 1 12 12 GLN CA C 13 55.686 0.03 . . . . . . . 397 GLN CA . 51175 1 84 . 1 . 1 12 12 GLN CB C 13 29.694 0.07 . . . . . . . 397 GLN CB . 51175 1 85 . 1 . 1 12 12 GLN CG C 13 33.876 0.00 . . . . . . . 397 GLN CG . 51175 1 86 . 1 . 1 12 12 GLN N N 15 120.685 0.04 . . . . . . . 397 GLN N . 51175 1 87 . 1 . 1 13 13 THR H H 1 8.245 0.01 . . . . . . . 398 THR H . 51175 1 88 . 1 . 1 13 13 THR HA H 1 4.590 0.00 . . . . . . . 398 THR HA . 51175 1 89 . 1 . 1 13 13 THR C C 13 172.956 0.00 . . . . . . . 398 THR C . 51175 1 90 . 1 . 1 13 13 THR CA C 13 59.818 0.00 . . . . . . . 398 THR CA . 51175 1 91 . 1 . 1 13 13 THR CB C 13 69.768 0.00 . . . . . . . 398 THR CB . 51175 1 92 . 1 . 1 13 13 THR N N 15 117.882 0.02 . . . . . . . 398 THR N . 51175 1 93 . 1 . 1 14 14 PRO HA H 1 4.393 0.00 . . . . . . . 399 PRO HA . 51175 1 94 . 1 . 1 14 14 PRO HB2 H 1 1.890 0.00 . . . . . . . 399 PRO HB2 . 51175 1 95 . 1 . 1 14 14 PRO HB3 H 1 2.292 0.00 . . . . . . . 399 PRO HB3 . 51175 1 96 . 1 . 1 14 14 PRO C C 13 177.059 0.01 . . . . . . . 399 PRO C . 51175 1 97 . 1 . 1 14 14 PRO CA C 13 63.388 0.08 . . . . . . . 399 PRO CA . 51175 1 98 . 1 . 1 14 14 PRO CB C 13 32.072 0.09 . . . . . . . 399 PRO CB . 51175 1 99 . 1 . 1 14 14 PRO CG C 13 27.359 0.00 . . . . . . . 399 PRO CG . 51175 1 100 . 1 . 1 14 14 PRO CD C 13 50.920 0.00 . . . . . . . 399 PRO CD . 51175 1 101 . 1 . 1 14 14 PRO N N 15 138.498 0.00 . . . . . . . 399 PRO N . 51175 1 102 . 1 . 1 15 15 GLU H H 1 8.530 0.00 . . . . . . . 400 GLU H . 51175 1 103 . 1 . 1 15 15 GLU HA H 1 4.351 0.00 . . . . . . . 400 GLU HA . 51175 1 104 . 1 . 1 15 15 GLU HB2 H 1 1.984 0.00 . . . . . . . 400 GLU HB2 . 51175 1 105 . 1 . 1 15 15 GLU HB3 H 1 2.099 0.00 . . . . . . . 400 GLU HB3 . 51175 1 106 . 1 . 1 15 15 GLU C C 13 176.722 0.01 . . . . . . . 400 GLU C . 51175 1 107 . 1 . 1 15 15 GLU CA C 13 56.528 0.12 . . . . . . . 400 GLU CA . 51175 1 108 . 1 . 1 15 15 GLU CB C 13 29.323 0.13 . . . . . . . 400 GLU CB . 51175 1 109 . 1 . 1 15 15 GLU CG C 13 34.715 0.00 . . . . . . . 400 GLU CG . 51175 1 110 . 1 . 1 15 15 GLU N N 15 120.606 0.03 . . . . . . . 400 GLU N . 51175 1 111 . 1 . 1 16 16 THR H H 1 8.142 0.01 . . . . . . . 401 THR H . 51175 1 112 . 1 . 1 16 16 THR HA H 1 4.339 0.00 . . . . . . . 401 THR HA . 51175 1 113 . 1 . 1 16 16 THR HB H 1 4.258 0.00 . . . . . . . 401 THR HB . 51175 1 114 . 1 . 1 16 16 THR C C 13 174.825 0.00 . . . . . . . 401 THR C . 51175 1 115 . 1 . 1 16 16 THR CA C 13 61.892 0.09 . . . . . . . 401 THR CA . 51175 1 116 . 1 . 1 16 16 THR CB C 13 69.770 0.00 . . . . . . . 401 THR CB . 51175 1 117 . 1 . 1 16 16 THR CG2 C 13 21.687 0.00 . . . . . . . 401 THR CG2 . 51175 1 118 . 1 . 1 16 16 THR N N 15 114.556 0.04 . . . . . . . 401 THR N . 51175 1 119 . 1 . 1 17 17 SER H H 1 8.329 0.00 . . . . . . . 402 SER H . 51175 1 120 . 1 . 1 17 17 SER HA H 1 4.480 0.00 . . . . . . . 402 SER HA . 51175 1 121 . 1 . 1 17 17 SER HB2 H 1 3.818 0.00 . . . . . . . 402 SER HB2 . 51175 1 122 . 1 . 1 17 17 SER HB3 H 1 3.882 0.00 . . . . . . . 402 SER HB3 . 51175 1 123 . 1 . 1 17 17 SER C C 13 174.884 0.01 . . . . . . . 402 SER C . 51175 1 124 . 1 . 1 17 17 SER CA C 13 58.597 0.04 . . . . . . . 402 SER CA . 51175 1 125 . 1 . 1 17 17 SER CB C 13 63.758 0.00 . . . . . . . 402 SER CB . 51175 1 126 . 1 . 1 17 17 SER N N 15 117.879 0.02 . . . . . . . 402 SER N . 51175 1 127 . 1 . 1 18 18 THR H H 1 8.085 0.00 . . . . . . . 403 THR H . 51175 1 128 . 1 . 1 18 18 THR HA H 1 4.261 0.00 . . . . . . . 403 THR HA . 51175 1 129 . 1 . 1 18 18 THR HB H 1 4.145 0.00 . . . . . . . 403 THR HB . 51175 1 130 . 1 . 1 18 18 THR C C 13 175.721 0.00 . . . . . . . 403 THR C . 51175 1 131 . 1 . 1 18 18 THR CA C 13 62.209 0.04 . . . . . . . 403 THR CA . 51175 1 132 . 1 . 1 18 18 THR CB C 13 69.633 0.00 . . . . . . . 403 THR CB . 51175 1 133 . 1 . 1 18 18 THR CG2 C 13 21.548 0.00 . . . . . . . 403 THR CG2 . 51175 1 134 . 1 . 1 18 18 THR N N 15 115.516 0.03 . . . . . . . 403 THR N . 51175 1 135 . 1 . 1 19 19 PHE H H 1 8.132 0.00 . . . . . . . 404 PHE H . 51175 1 136 . 1 . 1 19 19 PHE HA H 1 4.580 0.00 . . . . . . . 404 PHE HA . 51175 1 137 . 1 . 1 19 19 PHE HB2 H 1 3.032 0.00 . . . . . . . 404 PHE HB2 . 51175 1 138 . 1 . 1 19 19 PHE HB3 H 1 3.108 0.00 . . . . . . . 404 PHE HB3 . 51175 1 139 . 1 . 1 19 19 PHE C C 13 174.450 0.00 . . . . . . . 404 PHE C . 51175 1 140 . 1 . 1 19 19 PHE CA C 13 57.945 0.09 . . . . . . . 404 PHE CA . 51175 1 141 . 1 . 1 19 19 PHE CB C 13 39.300 0.00 . . . . . . . 404 PHE CB . 51175 1 142 . 1 . 1 19 19 PHE N N 15 122.279 0.07 . . . . . . . 404 PHE N . 51175 1 143 . 1 . 1 20 20 ARG H H 1 8.134 0.00 . . . . . . . 405 ARG H . 51175 1 144 . 1 . 1 20 20 ARG HA H 1 4.250 0.00 . . . . . . . 405 ARG HA . 51175 1 145 . 1 . 1 20 20 ARG HB2 H 1 1.674 0.00 . . . . . . . 405 ARG HB2 . 51175 1 146 . 1 . 1 20 20 ARG HB3 H 1 1.779 0.00 . . . . . . . 405 ARG HB3 . 51175 1 147 . 1 . 1 20 20 ARG C C 13 175.714 0.00 . . . . . . . 405 ARG C . 51175 1 148 . 1 . 1 20 20 ARG CA C 13 56.064 0.06 . . . . . . . 405 ARG CA . 51175 1 149 . 1 . 1 20 20 ARG CB C 13 30.818 0.00 . . . . . . . 405 ARG CB . 51175 1 150 . 1 . 1 20 20 ARG CG C 13 27.040 0.00 . . . . . . . 405 ARG CG . 51175 1 151 . 1 . 1 20 20 ARG CD C 13 43.310 0.00 . . . . . . . 405 ARG CD . 51175 1 152 . 1 . 1 20 20 ARG N N 15 122.361 0.07 . . . . . . . 405 ARG N . 51175 1 153 . 1 . 1 21 21 ASN H H 1 8.293 0.00 . . . . . . . 406 ASN H . 51175 1 154 . 1 . 1 21 21 ASN HA H 1 4.588 0.01 . . . . . . . 406 ASN HA . 51175 1 155 . 1 . 1 21 21 ASN HB2 H 1 2.728 0.00 . . . . . . . 406 ASN HB2 . 51175 1 156 . 1 . 1 21 21 ASN HB3 H 1 2.820 0.00 . . . . . . . 406 ASN HB3 . 51175 1 157 . 1 . 1 21 21 ASN C C 13 174.955 0.02 . . . . . . . 406 ASN C . 51175 1 158 . 1 . 1 21 21 ASN CA C 13 53.337 0.12 . . . . . . . 406 ASN CA . 51175 1 159 . 1 . 1 21 21 ASN CB C 13 38.651 0.00 . . . . . . . 406 ASN CB . 51175 1 160 . 1 . 1 21 21 ASN N N 15 119.377 0.05 . . . . . . . 406 ASN N . 51175 1 161 . 1 . 1 22 22 GLN H H 1 8.259 0.00 . . . . . . . 407 GLN H . 51175 1 162 . 1 . 1 22 22 GLN HA H 1 4.306 0.00 . . . . . . . 407 GLN HA . 51175 1 163 . 1 . 1 22 22 GLN HB2 H 1 1.939 0.00 . . . . . . . 407 GLN HB2 . 51175 1 164 . 1 . 1 22 22 GLN HB3 H 1 2.084 0.00 . . . . . . . 407 GLN HB3 . 51175 1 165 . 1 . 1 22 22 GLN C C 13 175.634 0.02 . . . . . . . 407 GLN C . 51175 1 166 . 1 . 1 22 22 GLN CA C 13 55.748 0.01 . . . . . . . 407 GLN CA . 51175 1 167 . 1 . 1 22 22 GLN CB C 13 29.706 0.00 . . . . . . . 407 GLN CB . 51175 1 168 . 1 . 1 22 22 GLN CG C 13 33.838 0.00 . . . . . . . 407 GLN CG . 51175 1 169 . 1 . 1 22 22 GLN N N 15 120.226 0.06 . . . . . . . 407 GLN N . 51175 1 170 . 1 . 1 23 23 MET H H 1 8.366 0.00 . . . . . . . 408 MET H . 51175 1 171 . 1 . 1 23 23 MET HA H 1 4.761 0.00 . . . . . . . 408 MET HA . 51175 1 172 . 1 . 1 23 23 MET C C 13 174.137 0.01 . . . . . . . 408 MET C . 51175 1 173 . 1 . 1 23 23 MET CA C 13 53.433 0.06 . . . . . . . 408 MET CA . 51175 1 174 . 1 . 1 23 23 MET CB C 13 32.498 0.00 . . . . . . . 408 MET CB . 51175 1 175 . 1 . 1 23 23 MET N N 15 122.967 0.04 . . . . . . . 408 MET N . 51175 1 176 . 1 . 1 24 24 PRO HA H 1 4.443 0.00 . . . . . . . 409 PRO HA . 51175 1 177 . 1 . 1 24 24 PRO HB2 H 1 1.871 0.00 . . . . . . . 409 PRO HB2 . 51175 1 178 . 1 . 1 24 24 PRO HB3 H 1 2.268 0.00 . . . . . . . 409 PRO HB3 . 51175 1 179 . 1 . 1 24 24 PRO C C 13 176.712 0.00 . . . . . . . 409 PRO C . 51175 1 180 . 1 . 1 24 24 PRO CA C 13 63.137 0.08 . . . . . . . 409 PRO CA . 51175 1 181 . 1 . 1 24 24 PRO CB C 13 32.166 0.04 . . . . . . . 409 PRO CB . 51175 1 182 . 1 . 1 24 24 PRO CG C 13 27.314 0.00 . . . . . . . 409 PRO CG . 51175 1 183 . 1 . 1 24 24 PRO CD C 13 51.202 0.00 . . . . . . . 409 PRO CD . 51175 1 184 . 1 . 1 24 24 PRO N N 15 137.082 0.00 . . . . . . . 409 PRO N . 51175 1 185 . 1 . 1 25 25 SER H H 1 8.476 0.01 . . . . . . . 410 SER H . 51175 1 186 . 1 . 1 25 25 SER HA H 1 4.725 0.00 . . . . . . . 410 SER HA . 51175 1 187 . 1 . 1 25 25 SER C C 13 173.039 0.00 . . . . . . . 410 SER C . 51175 1 188 . 1 . 1 25 25 SER CA C 13 56.444 0.00 . . . . . . . 410 SER CA . 51175 1 189 . 1 . 1 25 25 SER CB C 13 63.556 0.00 . . . . . . . 410 SER CB . 51175 1 190 . 1 . 1 25 25 SER N N 15 117.880 0.02 . . . . . . . 410 SER N . 51175 1 191 . 1 . 1 26 26 PRO HA H 1 4.508 0.00 . . . . . . . 411 PRO HA . 51175 1 192 . 1 . 1 26 26 PRO HB2 H 1 1.954 0.00 . . . . . . . 411 PRO HB2 . 51175 1 193 . 1 . 1 26 26 PRO HB3 H 1 2.317 0.00 . . . . . . . 411 PRO HB3 . 51175 1 194 . 1 . 1 26 26 PRO C C 13 177.220 0.00 . . . . . . . 411 PRO C . 51175 1 195 . 1 . 1 26 26 PRO CA C 13 63.476 0.09 . . . . . . . 411 PRO CA . 51175 1 196 . 1 . 1 26 26 PRO CB C 13 32.130 0.06 . . . . . . . 411 PRO CB . 51175 1 197 . 1 . 1 26 26 PRO CG C 13 27.270 0.00 . . . . . . . 411 PRO CG . 51175 1 198 . 1 . 1 26 26 PRO CD C 13 50.759 0.00 . . . . . . . 411 PRO CD . 51175 1 199 . 1 . 1 27 27 THR H H 1 8.172 0.01 . . . . . . . 412 THR H . 51175 1 200 . 1 . 1 27 27 THR HA H 1 4.364 0.00 . . . . . . . 412 THR HA . 51175 1 201 . 1 . 1 27 27 THR HB H 1 4.253 0.00 . . . . . . . 412 THR HB . 51175 1 202 . 1 . 1 27 27 THR C C 13 174.804 0.00 . . . . . . . 412 THR C . 51175 1 203 . 1 . 1 27 27 THR CA C 13 61.807 0.05 . . . . . . . 412 THR CA . 51175 1 204 . 1 . 1 27 27 THR CB C 13 69.770 0.00 . . . . . . . 412 THR CB . 51175 1 205 . 1 . 1 27 27 THR CG2 C 13 21.674 0.00 . . . . . . . 412 THR CG2 . 51175 1 206 . 1 . 1 27 27 THR N N 15 113.286 0.04 . . . . . . . 412 THR N . 51175 1 207 . 1 . 1 28 28 SER H H 1 8.303 0.00 . . . . . . . 413 SER H . 51175 1 208 . 1 . 1 28 28 SER HA H 1 4.550 0.00 . . . . . . . 413 SER HA . 51175 1 209 . 1 . 1 28 28 SER HB2 H 1 3.870 0.00 . . . . . . . 413 SER HB2 . 51175 1 210 . 1 . 1 28 28 SER HB3 H 1 3.921 0.00 . . . . . . . 413 SER HB3 . 51175 1 211 . 1 . 1 28 28 SER C C 13 174.873 0.00 . . . . . . . 413 SER C . 51175 1 212 . 1 . 1 28 28 SER CA C 13 58.345 0.03 . . . . . . . 413 SER CA . 51175 1 213 . 1 . 1 28 28 SER CB C 13 63.864 0.00 . . . . . . . 413 SER CB . 51175 1 214 . 1 . 1 28 28 SER N N 15 118.003 0.03 . . . . . . . 413 SER N . 51175 1 215 . 1 . 1 29 29 THR H H 1 8.222 0.00 . . . . . . . 414 THR H . 51175 1 216 . 1 . 1 29 29 THR HA H 1 4.377 0.00 . . . . . . . 414 THR HA . 51175 1 217 . 1 . 1 29 29 THR HB H 1 4.282 0.00 . . . . . . . 414 THR HB . 51175 1 218 . 1 . 1 29 29 THR C C 13 175.099 0.01 . . . . . . . 414 THR C . 51175 1 219 . 1 . 1 29 29 THR CA C 13 61.905 0.09 . . . . . . . 414 THR CA . 51175 1 220 . 1 . 1 29 29 THR CB C 13 69.687 0.00 . . . . . . . 414 THR CB . 51175 1 221 . 1 . 1 29 29 THR CG2 C 13 21.516 0.00 . . . . . . . 414 THR CG2 . 51175 1 222 . 1 . 1 29 29 THR N N 15 115.293 0.08 . . . . . . . 414 THR N . 51175 1 223 . 1 . 1 30 30 GLY H H 1 8.347 0.00 . . . . . . . 415 GLY H . 51175 1 224 . 1 . 1 30 30 GLY HA2 H 1 3.978 0.01 . . . . . . . 415 GLY QA . 51175 1 225 . 1 . 1 30 30 GLY HA3 H 1 3.978 0.01 . . . . . . . 415 GLY QA . 51175 1 226 . 1 . 1 30 30 GLY C C 13 173.861 0.00 . . . . . . . 415 GLY C . 51175 1 227 . 1 . 1 30 30 GLY CA C 13 45.156 0.04 . . . . . . . 415 GLY CA . 51175 1 228 . 1 . 1 30 30 GLY N N 15 110.955 0.03 . . . . . . . 415 GLY N . 51175 1 229 . 1 . 1 31 31 THR H H 1 8.115 0.00 . . . . . . . 416 THR H . 51175 1 230 . 1 . 1 31 31 THR HA H 1 4.592 0.00 . . . . . . . 416 THR HA . 51175 1 231 . 1 . 1 31 31 THR C C 13 172.858 0.01 . . . . . . . 416 THR C . 51175 1 232 . 1 . 1 31 31 THR CA C 13 59.835 0.00 . . . . . . . 416 THR CA . 51175 1 233 . 1 . 1 31 31 THR CB C 13 69.925 0.00 . . . . . . . 416 THR CB . 51175 1 234 . 1 . 1 31 31 THR N N 15 116.734 0.01 . . . . . . . 416 THR N . 51175 1 235 . 1 . 1 32 32 PRO HA H 1 4.433 0.00 . . . . . . . 417 PRO HA . 51175 1 236 . 1 . 1 32 32 PRO HB2 H 1 1.879 0.00 . . . . . . . 417 PRO HB2 . 51175 1 237 . 1 . 1 32 32 PRO HB3 H 1 2.265 0.00 . . . . . . . 417 PRO HB3 . 51175 1 238 . 1 . 1 32 32 PRO C C 13 176.650 0.00 . . . . . . . 417 PRO C . 51175 1 239 . 1 . 1 32 32 PRO CA C 13 63.063 0.08 . . . . . . . 417 PRO CA . 51175 1 240 . 1 . 1 32 32 PRO CB C 13 32.205 0.00 . . . . . . . 417 PRO CB . 51175 1 241 . 1 . 1 32 32 PRO CG C 13 27.257 0.00 . . . . . . . 417 PRO CG . 51175 1 242 . 1 . 1 32 32 PRO CD C 13 50.763 0.00 . . . . . . . 417 PRO CD . 51175 1 243 . 1 . 1 32 32 PRO N N 15 139.392 0.00 . . . . . . . 417 PRO N . 51175 1 244 . 1 . 1 33 33 SER H H 1 8.457 0.01 . . . . . . . 418 SER H . 51175 1 245 . 1 . 1 33 33 SER HA H 1 4.732 0.00 . . . . . . . 418 SER HA . 51175 1 246 . 1 . 1 33 33 SER C C 13 173.142 0.00 . . . . . . . 418 SER C . 51175 1 247 . 1 . 1 33 33 SER CA C 13 56.444 0.00 . . . . . . . 418 SER CA . 51175 1 248 . 1 . 1 33 33 SER CB C 13 63.559 0.00 . . . . . . . 418 SER CB . 51175 1 249 . 1 . 1 33 33 SER N N 15 117.789 0.01 . . . . . . . 418 SER N . 51175 1 250 . 1 . 1 34 34 PRO HA H 1 4.464 0.00 . . . . . . . 419 PRO HA . 51175 1 251 . 1 . 1 34 34 PRO HB2 H 1 1.962 0.00 . . . . . . . 419 PRO HB2 . 51175 1 252 . 1 . 1 34 34 PRO HB3 H 1 2.264 0.00 . . . . . . . 419 PRO HB3 . 51175 1 253 . 1 . 1 34 34 PRO C C 13 177.130 0.00 . . . . . . . 419 PRO C . 51175 1 254 . 1 . 1 34 34 PRO CA C 13 63.357 0.08 . . . . . . . 419 PRO CA . 51175 1 255 . 1 . 1 34 34 PRO CB C 13 32.180 0.09 . . . . . . . 419 PRO CB . 51175 1 256 . 1 . 1 34 34 PRO CG C 13 27.217 0.00 . . . . . . . 419 PRO CG . 51175 1 257 . 1 . 1 34 34 PRO CD C 13 50.728 0.00 . . . . . . . 419 PRO CD . 51175 1 258 . 1 . 1 35 35 GLY H H 1 8.199 0.01 . . . . . . . 420 GLY H . 51175 1 259 . 1 . 1 35 35 GLY HA2 H 1 4.072 0.00 . . . . . . . 420 GLY QA . 51175 1 260 . 1 . 1 35 35 GLY HA3 H 1 4.072 0.00 . . . . . . . 420 GLY QA . 51175 1 261 . 1 . 1 35 35 GLY C C 13 171.945 0.02 . . . . . . . 420 GLY C . 51175 1 262 . 1 . 1 35 35 GLY CA C 13 44.516 0.00 . . . . . . . 420 GLY CA . 51175 1 263 . 1 . 1 35 35 GLY N N 15 108.844 0.02 . . . . . . . 420 GLY N . 51175 1 264 . 1 . 1 36 36 PRO HA H 1 4.407 0.00 . . . . . . . 421 PRO HA . 51175 1 265 . 1 . 1 36 36 PRO HB2 H 1 1.911 0.00 . . . . . . . 421 PRO HB2 . 51175 1 266 . 1 . 1 36 36 PRO HB3 H 1 2.260 0.00 . . . . . . . 421 PRO HB3 . 51175 1 267 . 1 . 1 36 36 PRO C C 13 177.370 0.00 . . . . . . . 421 PRO C . 51175 1 268 . 1 . 1 36 36 PRO CA C 13 63.054 0.06 . . . . . . . 421 PRO CA . 51175 1 269 . 1 . 1 36 36 PRO CB C 13 32.114 0.00 . . . . . . . 421 PRO CB . 51175 1 270 . 1 . 1 36 36 PRO CG C 13 27.240 0.00 . . . . . . . 421 PRO CG . 51175 1 271 . 1 . 1 36 36 PRO CD C 13 49.813 0.00 . . . . . . . 421 PRO CD . 51175 1 272 . 1 . 1 36 36 PRO N N 15 134.480 0.00 . . . . . . . 421 PRO N . 51175 1 273 . 1 . 1 37 37 ARG H H 1 8.497 0.00 . . . . . . . 422 ARG H . 51175 1 274 . 1 . 1 37 37 ARG HA H 1 4.338 0.00 . . . . . . . 422 ARG HA . 51175 1 275 . 1 . 1 37 37 ARG HB2 H 1 1.764 0.00 . . . . . . . 422 ARG HB2 . 51175 1 276 . 1 . 1 37 37 ARG HB3 H 1 1.876 0.00 . . . . . . . 422 ARG HB3 . 51175 1 277 . 1 . 1 37 37 ARG C C 13 177.019 0.00 . . . . . . . 422 ARG C . 51175 1 278 . 1 . 1 37 37 ARG CA C 13 56.106 0.00 . . . . . . . 422 ARG CA . 51175 1 279 . 1 . 1 37 37 ARG CB C 13 30.879 0.00 . . . . . . . 422 ARG CB . 51175 1 280 . 1 . 1 37 37 ARG CG C 13 27.212 0.00 . . . . . . . 422 ARG CG . 51175 1 281 . 1 . 1 37 37 ARG CD C 13 43.291 0.02 . . . . . . . 422 ARG CD . 51175 1 282 . 1 . 1 37 37 ARG N N 15 120.928 0.11 . . . . . . . 422 ARG N . 51175 1 283 . 1 . 1 38 38 GLY H H 1 8.334 0.00 . . . . . . . 423 GLY H . 51175 1 284 . 1 . 1 38 38 GLY HA2 H 1 3.943 0.00 . . . . . . . 423 GLY HA2 . 51175 1 285 . 1 . 1 38 38 GLY HA3 H 1 3.942 0.00 . . . . . . . 423 GLY HA3 . 51175 1 286 . 1 . 1 38 38 GLY C C 13 173.939 0.00 . . . . . . . 423 GLY C . 51175 1 287 . 1 . 1 38 38 GLY CA C 13 45.309 0.05 . . . . . . . 423 GLY CA . 51175 1 288 . 1 . 1 38 38 GLY N N 15 109.407 0.03 . . . . . . . 423 GLY N . 51175 1 289 . 1 . 1 39 39 ASN H H 1 8.397 0.00 . . . . . . . 424 ASN H . 51175 1 290 . 1 . 1 39 39 ASN HA H 1 4.703 0.00 . . . . . . . 424 ASN HA . 51175 1 291 . 1 . 1 39 39 ASN HB2 H 1 2.752 0.00 . . . . . . . 424 ASN HB2 . 51175 1 292 . 1 . 1 39 39 ASN HB3 H 1 2.820 0.00 . . . . . . . 424 ASN HB3 . 51175 1 293 . 1 . 1 39 39 ASN C C 13 175.538 0.00 . . . . . . . 424 ASN C . 51175 1 294 . 1 . 1 39 39 ASN CA C 13 53.205 0.05 . . . . . . . 424 ASN CA . 51175 1 295 . 1 . 1 39 39 ASN CB C 13 38.790 0.00 . . . . . . . 424 ASN CB . 51175 1 296 . 1 . 1 39 39 ASN N N 15 118.790 0.03 . . . . . . . 424 ASN N . 51175 1 297 . 1 . 1 40 40 GLN H H 1 8.478 0.00 . . . . . . . 425 GLN H . 51175 1 298 . 1 . 1 40 40 GLN HA H 1 4.296 0.00 . . . . . . . 425 GLN HA . 51175 1 299 . 1 . 1 40 40 GLN HB2 H 1 1.980 0.00 . . . . . . . 425 GLN HB2 . 51175 1 300 . 1 . 1 40 40 GLN HB3 H 1 2.142 0.00 . . . . . . . 425 GLN HB3 . 51175 1 301 . 1 . 1 40 40 GLN C C 13 176.592 0.00 . . . . . . . 425 GLN C . 51175 1 302 . 1 . 1 40 40 GLN CA C 13 56.334 0.09 . . . . . . . 425 GLN CA . 51175 1 303 . 1 . 1 40 40 GLN CB C 13 29.250 0.00 . . . . . . . 425 GLN CB . 51175 1 304 . 1 . 1 40 40 GLN CG C 13 33.879 0.00 . . . . . . . 425 GLN CG . 51175 1 305 . 1 . 1 40 40 GLN N N 15 120.726 0.04 . . . . . . . 425 GLN N . 51175 1 306 . 1 . 1 41 41 GLY H H 1 8.442 0.00 . . . . . . . 426 GLY H . 51175 1 307 . 1 . 1 41 41 GLY HA2 H 1 3.927 0.01 . . . . . . . 426 GLY QA . 51175 1 308 . 1 . 1 41 41 GLY HA3 H 1 3.927 0.01 . . . . . . . 426 GLY QA . 51175 1 309 . 1 . 1 41 41 GLY C C 13 174.051 0.00 . . . . . . . 426 GLY C . 51175 1 310 . 1 . 1 41 41 GLY CA C 13 45.370 0.03 . . . . . . . 426 GLY CA . 51175 1 311 . 1 . 1 41 41 GLY N N 15 109.736 0.05 . . . . . . . 426 GLY N . 51175 1 312 . 1 . 1 42 42 ALA H H 1 8.127 0.00 . . . . . . . 427 ALA H . 51175 1 313 . 1 . 1 42 42 ALA HA H 1 4.283 0.00 . . . . . . . 427 ALA HA . 51175 1 314 . 1 . 1 42 42 ALA HB1 H 1 1.362 0.00 . . . . . . . 427 ALA MB . 51175 1 315 . 1 . 1 42 42 ALA HB2 H 1 1.362 0.00 . . . . . . . 427 ALA MB . 51175 1 316 . 1 . 1 42 42 ALA HB3 H 1 1.362 0.00 . . . . . . . 427 ALA MB . 51175 1 317 . 1 . 1 42 42 ALA C C 13 177.958 0.00 . . . . . . . 427 ALA C . 51175 1 318 . 1 . 1 42 42 ALA CA C 13 52.629 0.03 . . . . . . . 427 ALA CA . 51175 1 319 . 1 . 1 42 42 ALA CB C 13 19.171 0.00 . . . . . . . 427 ALA CB . 51175 1 320 . 1 . 1 42 42 ALA N N 15 123.600 0.02 . . . . . . . 427 ALA N . 51175 1 321 . 1 . 1 43 43 GLU H H 1 8.349 0.00 . . . . . . . 428 GLU H . 51175 1 322 . 1 . 1 43 43 GLU HA H 1 4.268 0.00 . . . . . . . 428 GLU HA . 51175 1 323 . 1 . 1 43 43 GLU HB2 H 1 1.962 0.00 . . . . . . . 428 GLU HB2 . 51175 1 324 . 1 . 1 43 43 GLU HB3 H 1 2.055 0.00 . . . . . . . 428 GLU HB3 . 51175 1 325 . 1 . 1 43 43 GLU C C 13 176.382 0.00 . . . . . . . 428 GLU C . 51175 1 326 . 1 . 1 43 43 GLU CA C 13 56.300 0.03 . . . . . . . 428 GLU CA . 51175 1 327 . 1 . 1 43 43 GLU CB C 13 29.116 0.00 . . . . . . . 428 GLU CB . 51175 1 328 . 1 . 1 43 43 GLU CG C 13 33.990 0.00 . . . . . . . 428 GLU CG . 51175 1 329 . 1 . 1 43 43 GLU N N 15 119.398 0.02 . . . . . . . 428 GLU N . 51175 1 330 . 1 . 1 44 44 ARG H H 1 8.260 0.00 . . . . . . . 429 ARG H . 51175 1 331 . 1 . 1 44 44 ARG HA H 1 4.268 0.01 . . . . . . . 429 ARG HA . 51175 1 332 . 1 . 1 44 44 ARG HB2 H 1 1.702 0.00 . . . . . . . 429 ARG HB2 . 51175 1 333 . 1 . 1 44 44 ARG C C 13 176.167 0.00 . . . . . . . 429 ARG C . 51175 1 334 . 1 . 1 44 44 ARG CA C 13 55.944 0.10 . . . . . . . 429 ARG CA . 51175 1 335 . 1 . 1 44 44 ARG CB C 13 30.574 0.00 . . . . . . . 429 ARG CB . 51175 1 336 . 1 . 1 44 44 ARG CG C 13 27.090 0.00 . . . . . . . 429 ARG CG . 51175 1 337 . 1 . 1 44 44 ARG CD C 13 43.240 0.00 . . . . . . . 429 ARG CD . 51175 1 338 . 1 . 1 44 44 ARG N N 15 121.742 0.03 . . . . . . . 429 ARG N . 51175 1 339 . 1 . 1 45 45 GLN H H 1 8.354 0.00 . . . . . . . 430 GLN H . 51175 1 340 . 1 . 1 45 45 GLN HA H 1 4.302 0.02 . . . . . . . 430 GLN HA . 51175 1 341 . 1 . 1 45 45 GLN HB2 H 1 1.954 0.00 . . . . . . . 430 GLN HB2 . 51175 1 342 . 1 . 1 45 45 GLN HB3 H 1 2.068 0.00 . . . . . . . 430 GLN HB3 . 51175 1 343 . 1 . 1 45 45 GLN C C 13 176.489 0.00 . . . . . . . 430 GLN C . 51175 1 344 . 1 . 1 45 45 GLN CA C 13 56.063 0.00 . . . . . . . 430 GLN CA . 51175 1 345 . 1 . 1 45 45 GLN CB C 13 29.336 0.00 . . . . . . . 430 GLN CB . 51175 1 346 . 1 . 1 45 45 GLN CG C 13 33.793 0.00 . . . . . . . 430 GLN CG . 51175 1 347 . 1 . 1 45 45 GLN N N 15 121.245 0.03 . . . . . . . 430 GLN N . 51175 1 348 . 1 . 1 46 46 GLY H H 1 8.429 0.00 . . . . . . . 431 GLY H . 51175 1 349 . 1 . 1 46 46 GLY HA2 H 1 3.898 0.00 . . . . . . . 431 GLY HA1 . 51175 1 350 . 1 . 1 46 46 GLY HA3 H 1 3.936 0.00 . . . . . . . 431 GLY HA2 . 51175 1 351 . 1 . 1 46 46 GLY C C 13 174.180 0.00 . . . . . . . 431 GLY C . 51175 1 352 . 1 . 1 46 46 GLY CA C 13 45.295 0.05 . . . . . . . 431 GLY CA . 51175 1 353 . 1 . 1 46 46 GLY N N 15 110.058 0.01 . . . . . . . 431 GLY N . 51175 1 354 . 1 . 1 47 47 MET H H 1 8.163 0.00 . . . . . . . 432 MET H . 51175 1 355 . 1 . 1 47 47 MET HA H 1 4.371 0.00 . . . . . . . 432 MET HA . 51175 1 356 . 1 . 1 47 47 MET HB2 H 1 1.879 0.00 . . . . . . . 432 MET QB . 51175 1 357 . 1 . 1 47 47 MET HB3 H 1 1.879 0.00 . . . . . . . 432 MET QB . 51175 1 358 . 1 . 1 47 47 MET C C 13 175.961 0.00 . . . . . . . 432 MET C . 51175 1 359 . 1 . 1 47 47 MET CA C 13 55.559 0.06 . . . . . . . 432 MET CA . 51175 1 360 . 1 . 1 47 47 MET CB C 13 32.506 0.00 . . . . . . . 432 MET CB . 51175 1 361 . 1 . 1 47 47 MET CG C 13 31.967 0.00 . . . . . . . 432 MET CG . 51175 1 362 . 1 . 1 47 47 MET N N 15 119.429 0.04 . . . . . . . 432 MET N . 51175 1 363 . 1 . 1 48 48 ASN H H 1 8.406 0.00 . . . . . . . 433 ASN H . 51175 1 364 . 1 . 1 48 48 ASN HA H 1 4.676 0.00 . . . . . . . 433 ASN HA . 51175 1 365 . 1 . 1 48 48 ASN HB2 H 1 2.690 0.00 . . . . . . . 433 ASN HB2 . 51175 1 366 . 1 . 1 48 48 ASN HB3 H 1 2.780 0.00 . . . . . . . 433 ASN HB3 . 51175 1 367 . 1 . 1 48 48 ASN C C 13 175.011 0.00 . . . . . . . 433 ASN C . 51175 1 368 . 1 . 1 48 48 ASN CA C 13 53.141 0.08 . . . . . . . 433 ASN CA . 51175 1 369 . 1 . 1 48 48 ASN CB C 13 38.471 0.00 . . . . . . . 433 ASN CB . 51175 1 370 . 1 . 1 48 48 ASN N N 15 119.454 0.04 . . . . . . . 433 ASN N . 51175 1 371 . 1 . 1 49 49 TRP H H 1 8.074 0.00 . . . . . . . 434 TRP H . 51175 1 372 . 1 . 1 49 49 TRP HA H 1 4.625 0.00 . . . . . . . 434 TRP HA . 51175 1 373 . 1 . 1 49 49 TRP HB2 H 1 3.217 0.00 . . . . . . . 434 TRP HB2 . 51175 1 374 . 1 . 1 49 49 TRP HB3 H 1 3.307 0.00 . . . . . . . 434 TRP HB3 . 51175 1 375 . 1 . 1 49 49 TRP C C 13 176.333 0.00 . . . . . . . 434 TRP C . 51175 1 376 . 1 . 1 49 49 TRP CA C 13 57.465 0.17 . . . . . . . 434 TRP CA . 51175 1 377 . 1 . 1 49 49 TRP CB C 13 29.756 0.00 . . . . . . . 434 TRP CB . 51175 1 378 . 1 . 1 49 49 TRP N N 15 121.739 0.05 . . . . . . . 434 TRP N . 51175 1 379 . 1 . 1 50 50 SER H H 1 8.065 0.00 . . . . . . . 435 SER H . 51175 1 380 . 1 . 1 50 50 SER HA H 1 4.331 0.00 . . . . . . . 435 SER HA . 51175 1 381 . 1 . 1 50 50 SER HB2 H 1 3.668 0.00 . . . . . . . 435 SER HB2 . 51175 1 382 . 1 . 1 50 50 SER HB3 H 1 3.772 0.00 . . . . . . . 435 SER HB3 . 51175 1 383 . 1 . 1 50 50 SER C C 13 174.128 0.00 . . . . . . . 435 SER C . 51175 1 384 . 1 . 1 50 50 SER CA C 13 58.459 0.04 . . . . . . . 435 SER CA . 51175 1 385 . 1 . 1 50 50 SER CB C 13 63.829 0.00 . . . . . . . 435 SER CB . 51175 1 386 . 1 . 1 50 50 SER N N 15 116.897 0.02 . . . . . . . 435 SER N . 51175 1 387 . 1 . 1 51 51 CYS H H 1 8.108 0.00 . . . . . . . 436 CYS H . 51175 1 388 . 1 . 1 51 51 CYS HA H 1 4.428 0.00 . . . . . . . 436 CYS HA . 51175 1 389 . 1 . 1 51 51 CYS HB2 H 1 2.889 0.00 . . . . . . . 436 CYS QB . 51175 1 390 . 1 . 1 51 51 CYS HB3 H 1 2.889 0.00 . . . . . . . 436 CYS QB . 51175 1 391 . 1 . 1 51 51 CYS C C 13 174.338 0.00 . . . . . . . 436 CYS C . 51175 1 392 . 1 . 1 51 51 CYS CA C 13 58.451 0.01 . . . . . . . 436 CYS CA . 51175 1 393 . 1 . 1 51 51 CYS CB C 13 27.761 0.00 . . . . . . . 436 CYS CB . 51175 1 394 . 1 . 1 51 51 CYS N N 15 120.370 0.07 . . . . . . . 436 CYS N . 51175 1 395 . 1 . 1 52 52 ARG H H 1 8.292 0.00 . . . . . . . 437 ARG H . 51175 1 396 . 1 . 1 52 52 ARG HA H 1 4.371 0.00 . . . . . . . 437 ARG HA . 51175 1 397 . 1 . 1 52 52 ARG HB2 H 1 1.730 0.00 . . . . . . . 437 ARG HB2 . 51175 1 398 . 1 . 1 52 52 ARG HB3 H 1 1.842 0.00 . . . . . . . 437 ARG HB3 . 51175 1 399 . 1 . 1 52 52 ARG C C 13 176.087 0.00 . . . . . . . 437 ARG C . 51175 1 400 . 1 . 1 52 52 ARG CA C 13 56.088 0.06 . . . . . . . 437 ARG CA . 51175 1 401 . 1 . 1 52 52 ARG CB C 13 30.833 0.00 . . . . . . . 437 ARG CB . 51175 1 402 . 1 . 1 52 52 ARG N N 15 123.148 0.03 . . . . . . . 437 ARG N . 51175 1 403 . 1 . 1 53 53 THR H H 1 8.149 0.00 . . . . . . . 438 THR H . 51175 1 404 . 1 . 1 53 53 THR HA H 1 4.551 0.00 . . . . . . . 438 THR HA . 51175 1 405 . 1 . 1 53 53 THR C C 13 172.678 0.00 . . . . . . . 438 THR C . 51175 1 406 . 1 . 1 53 53 THR CA C 13 59.866 0.00 . . . . . . . 438 THR CA . 51175 1 407 . 1 . 1 53 53 THR CB C 13 69.809 0.00 . . . . . . . 438 THR CB . 51175 1 408 . 1 . 1 53 53 THR N N 15 118.080 0.04 . . . . . . . 438 THR N . 51175 1 409 . 1 . 1 54 54 PRO HA H 1 4.382 0.00 . . . . . . . 439 PRO HA . 51175 1 410 . 1 . 1 54 54 PRO HB2 H 1 1.847 0.00 . . . . . . . 439 PRO QB . 51175 1 411 . 1 . 1 54 54 PRO HB3 H 1 1.847 0.00 . . . . . . . 439 PRO QB . 51175 1 412 . 1 . 1 54 54 PRO C C 13 176.598 0.00 . . . . . . . 439 PRO C . 51175 1 413 . 1 . 1 54 54 PRO CA C 13 62.994 0.00 . . . . . . . 439 PRO CA . 51175 1 414 . 1 . 1 54 54 PRO CB C 13 32.034 0.00 . . . . . . . 439 PRO CB . 51175 1 415 . 1 . 1 54 54 PRO CD C 13 51.262 0.00 . . . . . . . 439 PRO CD . 51175 1 416 . 1 . 1 54 54 PRO N N 15 138.729 0.00 . . . . . . . 439 PRO N . 51175 1 417 . 1 . 1 55 55 GLU H H 1 8.384 0.00 . . . . . . . 440 GLU H . 51175 1 418 . 1 . 1 55 55 GLU HA H 1 4.579 0.00 . . . . . . . 440 GLU HA . 51175 1 419 . 1 . 1 55 55 GLU C C 13 174.321 0.00 . . . . . . . 440 GLU C . 51175 1 420 . 1 . 1 55 55 GLU CA C 13 53.647 0.00 . . . . . . . 440 GLU CA . 51175 1 421 . 1 . 1 55 55 GLU CB C 13 29.044 0.00 . . . . . . . 440 GLU CB . 51175 1 422 . 1 . 1 55 55 GLU N N 15 122.113 0.04 . . . . . . . 440 GLU N . 51175 1 423 . 1 . 1 56 56 PRO HA H 1 4.356 0.00 . . . . . . . 441 PRO HA . 51175 1 424 . 1 . 1 56 56 PRO HB2 H 1 1.819 0.00 . . . . . . . 441 PRO HB2 . 51175 1 425 . 1 . 1 56 56 PRO HB3 H 1 2.205 0.00 . . . . . . . 441 PRO HB3 . 51175 1 426 . 1 . 1 56 56 PRO C C 13 176.306 0.00 . . . . . . . 441 PRO C . 51175 1 427 . 1 . 1 56 56 PRO CA C 13 63.004 0.00 . . . . . . . 441 PRO CA . 51175 1 428 . 1 . 1 56 56 PRO CB C 13 31.963 0.00 . . . . . . . 441 PRO CB . 51175 1 429 . 1 . 1 56 56 PRO CG C 13 27.397 0.00 . . . . . . . 441 PRO CG . 51175 1 430 . 1 . 1 56 56 PRO CD C 13 50.705 0.00 . . . . . . . 441 PRO CD . 51175 1 431 . 1 . 1 56 56 PRO N N 15 136.844 0.00 . . . . . . . 441 PRO N . 51175 1 432 . 1 . 1 57 57 ASN H H 1 8.476 0.00 . . . . . . . 442 ASN H . 51175 1 433 . 1 . 1 57 57 ASN HA H 1 4.912 0.00 . . . . . . . 442 ASN HA . 51175 1 434 . 1 . 1 57 57 ASN C C 13 173.589 0.01 . . . . . . . 442 ASN C . 51175 1 435 . 1 . 1 57 57 ASN CA C 13 51.378 0.00 . . . . . . . 442 ASN CA . 51175 1 436 . 1 . 1 57 57 ASN CB C 13 38.901 0.00 . . . . . . . 442 ASN CB . 51175 1 437 . 1 . 1 57 57 ASN N N 15 120.047 0.03 . . . . . . . 442 ASN N . 51175 1 438 . 1 . 1 58 58 PRO HA H 1 4.430 0.00 . . . . . . . 443 PRO HA . 51175 1 439 . 1 . 1 58 58 PRO HB2 H 1 1.928 0.00 . . . . . . . 443 PRO HB2 . 51175 1 440 . 1 . 1 58 58 PRO HB3 H 1 2.259 0.00 . . . . . . . 443 PRO HB3 . 51175 1 441 . 1 . 1 58 58 PRO C C 13 175.529 0.00 . . . . . . . 443 PRO C . 51175 1 442 . 1 . 1 58 58 PRO CA C 13 63.286 0.00 . . . . . . . 443 PRO CA . 51175 1 443 . 1 . 1 58 58 PRO CB C 13 32.152 0.00 . . . . . . . 443 PRO CB . 51175 1 444 . 1 . 1 58 58 PRO CG C 13 27.312 0.00 . . . . . . . 443 PRO CG . 51175 1 445 . 1 . 1 58 58 PRO CD C 13 50.747 0.00 . . . . . . . 443 PRO CD . 51175 1 446 . 1 . 1 58 58 PRO N N 15 136.822 0.00 . . . . . . . 443 PRO N . 51175 1 447 . 1 . 1 59 59 VAL H H 1 8.255 0.01 . . . . . . . 444 VAL H . 51175 1 448 . 1 . 1 59 59 VAL HA H 1 4.106 0.00 . . . . . . . 444 VAL HA . 51175 1 449 . 1 . 1 59 59 VAL HB H 1 2.098 0.00 . . . . . . . 444 VAL HB . 51175 1 450 . 1 . 1 59 59 VAL C C 13 176.688 0.01 . . . . . . . 444 VAL C . 51175 1 451 . 1 . 1 59 59 VAL CA C 13 62.752 0.12 . . . . . . . 444 VAL CA . 51175 1 452 . 1 . 1 59 59 VAL CB C 13 32.449 0.00 . . . . . . . 444 VAL CB . 51175 1 453 . 1 . 1 59 59 VAL CG2 C 13 21.271 0.00 . . . . . . . 444 VAL CG2 . 51175 1 454 . 1 . 1 59 59 VAL N N 15 120.117 0.10 . . . . . . . 444 VAL N . 51175 1 455 . 1 . 1 60 60 THR H H 1 8.055 0.00 . . . . . . . 445 THR H . 51175 1 456 . 1 . 1 60 60 THR HA H 1 4.356 0.02 . . . . . . . 445 THR HA . 51175 1 457 . 1 . 1 60 60 THR HB H 1 4.278 0.00 . . . . . . . 445 THR HB . 51175 1 458 . 1 . 1 60 60 THR C C 13 175.144 0.06 . . . . . . . 445 THR C . 51175 1 459 . 1 . 1 60 60 THR CA C 13 61.905 0.07 . . . . . . . 445 THR CA . 51175 1 460 . 1 . 1 60 60 THR CB C 13 69.712 0.00 . . . . . . . 445 THR CB . 51175 1 461 . 1 . 1 60 60 THR CG2 C 13 21.656 0.00 . . . . . . . 445 THR CG2 . 51175 1 462 . 1 . 1 60 60 THR N N 15 116.235 0.07 . . . . . . . 445 THR N . 51175 1 463 . 1 . 1 61 61 GLY H H 1 8.352 0.01 . . . . . . . 446 GLY H . 51175 1 464 . 1 . 1 61 61 GLY HA2 H 1 3.967 0.02 . . . . . . . 446 GLY QA . 51175 1 465 . 1 . 1 61 61 GLY HA3 H 1 3.967 0.02 . . . . . . . 446 GLY QA . 51175 1 466 . 1 . 1 61 61 GLY C C 13 173.630 0.00 . . . . . . . 446 GLY C . 51175 1 467 . 1 . 1 61 61 GLY CA C 13 45.169 0.03 . . . . . . . 446 GLY CA . 51175 1 468 . 1 . 1 61 61 GLY N N 15 111.065 0.02 . . . . . . . 446 GLY N . 51175 1 469 . 1 . 1 62 62 ARG H H 1 8.075 0.00 . . . . . . . 447 ARG H . 51175 1 470 . 1 . 1 62 62 ARG HA H 1 4.625 0.00 . . . . . . . 447 ARG HA . 51175 1 471 . 1 . 1 62 62 ARG C C 13 174.103 0.00 . . . . . . . 447 ARG C . 51175 1 472 . 1 . 1 62 62 ARG CA C 13 53.894 0.00 . . . . . . . 447 ARG CA . 51175 1 473 . 1 . 1 62 62 ARG CB C 13 30.301 0.00 . . . . . . . 447 ARG CB . 51175 1 474 . 1 . 1 62 62 ARG N N 15 121.384 0.02 . . . . . . . 447 ARG N . 51175 1 475 . 1 . 1 63 63 PRO HA H 1 4.396 0.00 . . . . . . . 448 PRO HA . 51175 1 476 . 1 . 1 63 63 PRO HB3 H 1 2.055 0.20 . . . . . . . 448 PRO HB3 . 51175 1 477 . 1 . 1 63 63 PRO C C 13 176.700 0.00 . . . . . . . 448 PRO C . 51175 1 478 . 1 . 1 63 63 PRO CA C 13 63.050 0.02 . . . . . . . 448 PRO CA . 51175 1 479 . 1 . 1 63 63 PRO CB C 13 32.158 0.00 . . . . . . . 448 PRO CB . 51175 1 480 . 1 . 1 63 63 PRO CG C 13 27.655 0.00 . . . . . . . 448 PRO CG . 51175 1 481 . 1 . 1 63 63 PRO CD C 13 50.790 0.00 . . . . . . . 448 PRO CD . 51175 1 482 . 1 . 1 63 63 PRO N N 15 136.799 0.00 . . . . . . . 448 PRO N . 51175 1 483 . 1 . 1 64 64 LEU H H 1 8.392 0.00 . . . . . . . 449 LEU H . 51175 1 484 . 1 . 1 64 64 LEU HA H 1 4.308 0.00 . . . . . . . 449 LEU HA . 51175 1 485 . 1 . 1 64 64 LEU HB2 H 1 1.556 0.00 . . . . . . . 449 LEU HB2 . 51175 1 486 . 1 . 1 64 64 LEU HB3 H 1 1.618 0.00 . . . . . . . 449 LEU HB3 . 51175 1 487 . 1 . 1 64 64 LEU C C 13 177.236 0.00 . . . . . . . 449 LEU C . 51175 1 488 . 1 . 1 64 64 LEU CA C 13 55.263 0.05 . . . . . . . 449 LEU CA . 51175 1 489 . 1 . 1 64 64 LEU CB C 13 42.270 0.00 . . . . . . . 449 LEU CB . 51175 1 490 . 1 . 1 64 64 LEU CG C 13 27.068 0.00 . . . . . . . 449 LEU CG . 51175 1 491 . 1 . 1 64 64 LEU CD1 C 13 25.059 0.26 . . . . . . . 449 LEU CD1 . 51175 1 492 . 1 . 1 64 64 LEU CD2 C 13 23.755 0.00 . . . . . . . 449 LEU CD2 . 51175 1 493 . 1 . 1 64 64 LEU N N 15 122.868 0.04 . . . . . . . 449 LEU N . 51175 1 494 . 1 . 1 65 65 VAL H H 1 7.991 0.00 . . . . . . . 450 VAL H . 51175 1 495 . 1 . 1 65 65 VAL HA H 1 4.114 0.01 . . . . . . . 450 VAL HA . 51175 1 496 . 1 . 1 65 65 VAL HB H 1 2.005 0.00 . . . . . . . 450 VAL HB . 51175 1 497 . 1 . 1 65 65 VAL C C 13 175.454 0.00 . . . . . . . 450 VAL C . 51175 1 498 . 1 . 1 65 65 VAL CA C 13 61.874 0.07 . . . . . . . 450 VAL CA . 51175 1 499 . 1 . 1 65 65 VAL CB C 13 33.044 0.00 . . . . . . . 450 VAL CB . 51175 1 500 . 1 . 1 65 65 VAL CG2 C 13 20.709 0.00 . . . . . . . 450 VAL CG2 . 51175 1 501 . 1 . 1 65 65 VAL N N 15 120.304 0.02 . . . . . . . 450 VAL N . 51175 1 502 . 1 . 1 66 66 ASN H H 1 8.486 0.00 . . . . . . . 451 ASN H . 51175 1 503 . 1 . 1 66 66 ASN HA H 1 4.688 0.00 . . . . . . . 451 ASN HA . 51175 1 504 . 1 . 1 66 66 ASN HB2 H 1 2.681 0.00 . . . . . . . 451 ASN HB2 . 51175 1 505 . 1 . 1 66 66 ASN HB3 H 1 2.743 0.00 . . . . . . . 451 ASN HB3 . 51175 1 506 . 1 . 1 66 66 ASN C C 13 174.979 0.00 . . . . . . . 451 ASN C . 51175 1 507 . 1 . 1 66 66 ASN CA C 13 53.033 0.04 . . . . . . . 451 ASN CA . 51175 1 508 . 1 . 1 66 66 ASN CB C 13 38.992 0.00 . . . . . . . 451 ASN CB . 51175 1 509 . 1 . 1 66 66 ASN N N 15 122.705 0.02 . . . . . . . 451 ASN N . 51175 1 510 . 1 . 1 67 67 ILE H H 1 7.977 0.00 . . . . . . . 452 ILE H . 51175 1 511 . 1 . 1 67 67 ILE HA H 1 4.095 0.00 . . . . . . . 452 ILE HA . 51175 1 512 . 1 . 1 67 67 ILE HB H 1 1.740 0.00 . . . . . . . 452 ILE HB . 51175 1 513 . 1 . 1 67 67 ILE C C 13 175.793 0.00 . . . . . . . 452 ILE C . 51175 1 514 . 1 . 1 67 67 ILE CA C 13 61.511 0.06 . . . . . . . 452 ILE CA . 51175 1 515 . 1 . 1 67 67 ILE CB C 13 38.470 0.00 . . . . . . . 452 ILE CB . 51175 1 516 . 1 . 1 67 67 ILE N N 15 120.295 0.05 . . . . . . . 452 ILE N . 51175 1 517 . 1 . 1 68 68 TYR H H 1 8.174 0.00 . . . . . . . 453 TYR H . 51175 1 518 . 1 . 1 68 68 TYR HA H 1 4.600 0.00 . . . . . . . 453 TYR HA . 51175 1 519 . 1 . 1 68 68 TYR C C 13 175.546 0.00 . . . . . . . 453 TYR C . 51175 1 520 . 1 . 1 68 68 TYR CA C 13 57.782 0.00 . . . . . . . 453 TYR CA . 51175 1 521 . 1 . 1 68 68 TYR CB C 13 38.784 0.00 . . . . . . . 453 TYR CB . 51175 1 522 . 1 . 1 68 68 TYR N N 15 123.008 0.02 . . . . . . . 453 TYR N . 51175 1 523 . 1 . 1 69 69 ASN H H 1 8.240 0.00 . . . . . . . 454 ASN H . 51175 1 524 . 1 . 1 69 69 ASN HA H 1 4.250 0.00 . . . . . . . 454 ASN HA . 51175 1 525 . 1 . 1 69 69 ASN HB2 H 1 2.731 0.00 . . . . . . . 454 ASN HB2 . 51175 1 526 . 1 . 1 69 69 ASN HB3 H 1 2.799 0.00 . . . . . . . 454 ASN HB3 . 51175 1 527 . 1 . 1 69 69 ASN C C 13 175.019 0.00 . . . . . . . 454 ASN C . 51175 1 528 . 1 . 1 69 69 ASN CA C 13 53.144 0.00 . . . . . . . 454 ASN CA . 51175 1 529 . 1 . 1 69 69 ASN CB C 13 38.901 0.00 . . . . . . . 454 ASN CB . 51175 1 530 . 1 . 1 69 69 ASN N N 15 120.123 0.00 . . . . . . . 454 ASN N . 51175 1 531 . 1 . 1 70 70 CYS H H 1 8.290 0.00 . . . . . . . 455 CYS H . 51175 1 532 . 1 . 1 70 70 CYS HA H 1 4.609 0.00 . . . . . . . 455 CYS HA . 51175 1 533 . 1 . 1 70 70 CYS HB2 H 1 2.919 0.00 . . . . . . . 455 CYS QB . 51175 1 534 . 1 . 1 70 70 CYS HB3 H 1 2.919 0.00 . . . . . . . 455 CYS QB . 51175 1 535 . 1 . 1 70 70 CYS C C 13 174.660 0.00 . . . . . . . 455 CYS C . 51175 1 536 . 1 . 1 70 70 CYS CA C 13 58.752 0.07 . . . . . . . 455 CYS CA . 51175 1 537 . 1 . 1 70 70 CYS CB C 13 28.032 0.00 . . . . . . . 455 CYS CB . 51175 1 538 . 1 . 1 70 70 CYS N N 15 119.446 0.05 . . . . . . . 455 CYS N . 51175 1 539 . 1 . 1 71 71 SER H H 1 8.393 0.01 . . . . . . . 456 SER H . 51175 1 540 . 1 . 1 71 71 SER HA H 1 4.459 0.00 . . . . . . . 456 SER HA . 51175 1 541 . 1 . 1 71 71 SER C C 13 174.508 0.00 . . . . . . . 456 SER C . 51175 1 542 . 1 . 1 71 71 SER CA C 13 58.688 0.00 . . . . . . . 456 SER CA . 51175 1 543 . 1 . 1 71 71 SER CB C 13 63.839 0.00 . . . . . . . 456 SER CB . 51175 1 544 . 1 . 1 71 71 SER N N 15 117.882 0.01 . . . . . . . 456 SER N . 51175 1 545 . 1 . 1 72 72 GLY H H 1 8.293 0.00 . . . . . . . 457 GLY H . 51175 1 546 . 1 . 1 72 72 GLY HA2 H 1 3.954 0.00 . . . . . . . 457 GLY QA . 51175 1 547 . 1 . 1 72 72 GLY HA3 H 1 3.954 0.00 . . . . . . . 457 GLY QA . 51175 1 548 . 1 . 1 72 72 GLY C C 13 173.940 0.00 . . . . . . . 457 GLY C . 51175 1 549 . 1 . 1 72 72 GLY CA C 13 45.243 0.04 . . . . . . . 457 GLY CA . 51175 1 550 . 1 . 1 72 72 GLY N N 15 110.517 0.00 . . . . . . . 457 GLY N . 51175 1 551 . 1 . 1 73 73 VAL H H 1 7.923 0.00 . . . . . . . 458 VAL H . 51175 1 552 . 1 . 1 73 73 VAL HA H 1 4.099 0.00 . . . . . . . 458 VAL HA . 51175 1 553 . 1 . 1 73 73 VAL HB H 1 2.028 0.00 . . . . . . . 458 VAL HB . 51175 1 554 . 1 . 1 73 73 VAL C C 13 176.007 0.00 . . . . . . . 458 VAL C . 51175 1 555 . 1 . 1 73 73 VAL CA C 13 62.247 0.04 . . . . . . . 458 VAL CA . 51175 1 556 . 1 . 1 73 73 VAL CB C 13 32.491 0.00 . . . . . . . 458 VAL CB . 51175 1 557 . 1 . 1 73 73 VAL N N 15 119.356 0.02 . . . . . . . 458 VAL N . 51175 1 558 . 1 . 1 74 74 GLN H H 1 8.480 0.00 . . . . . . . 459 GLN H . 51175 1 559 . 1 . 1 74 74 GLN HA H 1 4.380 0.00 . . . . . . . 459 GLN HA . 51175 1 560 . 1 . 1 74 74 GLN HB2 H 1 1.948 0.00 . . . . . . . 459 GLN HB2 . 51175 1 561 . 1 . 1 74 74 GLN HB3 H 1 2.054 0.00 . . . . . . . 459 GLN HB3 . 51175 1 562 . 1 . 1 74 74 GLN C C 13 175.834 0.00 . . . . . . . 459 GLN C . 51175 1 563 . 1 . 1 74 74 GLN CA C 13 55.565 0.01 . . . . . . . 459 GLN CA . 51175 1 564 . 1 . 1 74 74 GLN CB C 13 29.455 0.00 . . . . . . . 459 GLN CB . 51175 1 565 . 1 . 1 74 74 GLN CG C 13 33.838 0.00 . . . . . . . 459 GLN CG . 51175 1 566 . 1 . 1 74 74 GLN N N 15 124.664 0.03 . . . . . . . 459 GLN N . 51175 1 567 . 1 . 1 75 75 VAL H H 1 8.242 0.01 . . . . . . . 460 VAL H . 51175 1 568 . 1 . 1 75 75 VAL HA H 1 4.065 0.01 . . . . . . . 460 VAL HA . 51175 1 569 . 1 . 1 75 75 VAL HB H 1 2.034 0.00 . . . . . . . 460 VAL HB . 51175 1 570 . 1 . 1 75 75 VAL C C 13 176.556 0.00 . . . . . . . 460 VAL C . 51175 1 571 . 1 . 1 75 75 VAL CA C 13 62.546 0.00 . . . . . . . 460 VAL CA . 51175 1 572 . 1 . 1 75 75 VAL CB C 13 32.490 0.00 . . . . . . . 460 VAL CB . 51175 1 573 . 1 . 1 75 75 VAL CG2 C 13 20.750 0.00 . . . . . . . 460 VAL CG2 . 51175 1 574 . 1 . 1 75 75 VAL N N 15 121.994 0.02 . . . . . . . 460 VAL N . 51175 1 575 . 1 . 1 76 76 GLY H H 1 8.416 0.00 . . . . . . . 461 GLY H . 51175 1 576 . 1 . 1 76 76 GLY HA2 H 1 3.950 0.00 . . . . . . . 461 GLY QA . 51175 1 577 . 1 . 1 76 76 GLY HA3 H 1 3.950 0.00 . . . . . . . 461 GLY QA . 51175 1 578 . 1 . 1 76 76 GLY C C 13 173.839 0.00 . . . . . . . 461 GLY C . 51175 1 579 . 1 . 1 76 76 GLY CA C 13 45.198 0.06 . . . . . . . 461 GLY CA . 51175 1 580 . 1 . 1 76 76 GLY N N 15 112.333 0.02 . . . . . . . 461 GLY N . 51175 1 581 . 1 . 1 77 77 ASP H H 1 8.244 0.00 . . . . . . . 462 ASP H . 51175 1 582 . 1 . 1 77 77 ASP HA H 1 4.652 0.00 . . . . . . . 462 ASP HA . 51175 1 583 . 1 . 1 77 77 ASP HB2 H 1 2.733 0.00 . . . . . . . 462 ASP HB2 . 51175 1 584 . 1 . 1 77 77 ASP HB3 H 1 2.807 0.00 . . . . . . . 462 ASP HB3 . 51175 1 585 . 1 . 1 77 77 ASP C C 13 175.650 0.00 . . . . . . . 462 ASP C . 51175 1 586 . 1 . 1 77 77 ASP CA C 13 53.349 0.16 . . . . . . . 462 ASP CA . 51175 1 587 . 1 . 1 77 77 ASP CB C 13 39.715 0.00 . . . . . . . 462 ASP CB . 51175 1 588 . 1 . 1 77 77 ASP N N 15 119.608 0.02 . . . . . . . 462 ASP N . 51175 1 589 . 1 . 1 78 78 ASN H H 1 8.444 0.00 . . . . . . . 463 ASN H . 51175 1 590 . 1 . 1 78 78 ASN HA H 1 4.631 0.00 . . . . . . . 463 ASN HA . 51175 1 591 . 1 . 1 78 78 ASN HB2 H 1 2.700 0.00 . . . . . . . 463 ASN HB2 . 51175 1 592 . 1 . 1 78 78 ASN HB3 H 1 2.753 0.00 . . . . . . . 463 ASN HB3 . 51175 1 593 . 1 . 1 78 78 ASN C C 13 175.099 0.00 . . . . . . . 463 ASN C . 51175 1 594 . 1 . 1 78 78 ASN CA C 13 53.660 0.13 . . . . . . . 463 ASN CA . 51175 1 595 . 1 . 1 78 78 ASN CB C 13 38.607 0.00 . . . . . . . 463 ASN CB . 51175 1 596 . 1 . 1 78 78 ASN N N 15 119.080 0.03 . . . . . . . 463 ASN N . 51175 1 597 . 1 . 1 79 79 ASN H H 1 8.331 0.00 . . . . . . . 464 ASN H . 51175 1 598 . 1 . 1 79 79 ASN HA H 1 4.625 0.00 . . . . . . . 464 ASN HA . 51175 1 599 . 1 . 1 79 79 ASN HB2 H 1 2.698 0.00 . . . . . . . 464 ASN HB2 . 51175 1 600 . 1 . 1 79 79 ASN HB3 H 1 2.745 0.00 . . . . . . . 464 ASN HB3 . 51175 1 601 . 1 . 1 79 79 ASN C C 13 175.221 0.00 . . . . . . . 464 ASN C . 51175 1 602 . 1 . 1 79 79 ASN CA C 13 53.687 0.04 . . . . . . . 464 ASN CA . 51175 1 603 . 1 . 1 79 79 ASN CB C 13 38.599 0.00 . . . . . . . 464 ASN CB . 51175 1 604 . 1 . 1 79 79 ASN N N 15 118.820 0.02 . . . . . . . 464 ASN N . 51175 1 605 . 1 . 1 80 80 TYR H H 1 8.070 0.00 . . . . . . . 465 TYR H . 51175 1 606 . 1 . 1 80 80 TYR HA H 1 4.456 0.01 . . . . . . . 465 TYR HA . 51175 1 607 . 1 . 1 80 80 TYR HB2 H 1 2.987 0.00 . . . . . . . 465 TYR HB2 . 51175 1 608 . 1 . 1 80 80 TYR HB3 H 1 3.055 0.00 . . . . . . . 465 TYR HB3 . 51175 1 609 . 1 . 1 80 80 TYR C C 13 176.052 0.00 . . . . . . . 465 TYR C . 51175 1 610 . 1 . 1 80 80 TYR CA C 13 58.600 0.06 . . . . . . . 465 TYR CA . 51175 1 611 . 1 . 1 80 80 TYR CB C 13 38.247 0.00 . . . . . . . 465 TYR CB . 51175 1 612 . 1 . 1 80 80 TYR N N 15 120.156 0.01 . . . . . . . 465 TYR N . 51175 1 613 . 1 . 1 81 81 LEU H H 1 7.985 0.00 . . . . . . . 466 LEU H . 51175 1 614 . 1 . 1 81 81 LEU HA H 1 4.268 0.00 . . . . . . . 466 LEU HA . 51175 1 615 . 1 . 1 81 81 LEU HB2 H 1 1.527 0.00 . . . . . . . 466 LEU HB2 . 51175 1 616 . 1 . 1 81 81 LEU HB3 H 1 1.627 0.00 . . . . . . . 466 LEU HB3 . 51175 1 617 . 1 . 1 81 81 LEU C C 13 177.830 0.00 . . . . . . . 466 LEU C . 51175 1 618 . 1 . 1 81 81 LEU CA C 13 55.716 0.02 . . . . . . . 466 LEU CA . 51175 1 619 . 1 . 1 81 81 LEU CB C 13 42.273 0.00 . . . . . . . 466 LEU CB . 51175 1 620 . 1 . 1 81 81 LEU CG C 13 27.171 0.00 . . . . . . . 466 LEU CG . 51175 1 621 . 1 . 1 81 81 LEU N N 15 121.960 0.05 . . . . . . . 466 LEU N . 51175 1 622 . 1 . 1 82 82 THR H H 1 7.959 0.00 . . . . . . . 467 THR H . 51175 1 623 . 1 . 1 82 82 THR HA H 1 4.264 0.00 . . . . . . . 467 THR HA . 51175 1 624 . 1 . 1 82 82 THR C C 13 175.010 0.00 . . . . . . . 467 THR C . 51175 1 625 . 1 . 1 82 82 THR CA C 13 62.291 0.01 . . . . . . . 467 THR CA . 51175 1 626 . 1 . 1 82 82 THR CB C 13 69.670 0.00 . . . . . . . 467 THR CB . 51175 1 627 . 1 . 1 82 82 THR N N 15 113.420 0.03 . . . . . . . 467 THR N . 51175 1 628 . 1 . 1 83 83 MET H H 1 8.171 0.01 . . . . . . . 468 MET H . 51175 1 629 . 1 . 1 83 83 MET HA H 1 4.440 0.00 . . . . . . . 468 MET HA . 51175 1 630 . 1 . 1 83 83 MET C C 13 176.406 0.00 . . . . . . . 468 MET C . 51175 1 631 . 1 . 1 83 83 MET CA C 13 55.990 0.00 . . . . . . . 468 MET CA . 51175 1 632 . 1 . 1 83 83 MET CB C 13 32.893 0.00 . . . . . . . 468 MET CB . 51175 1 633 . 1 . 1 83 83 MET N N 15 121.817 0.04 . . . . . . . 468 MET N . 51175 1 634 . 1 . 1 84 84 GLN H H 1 8.268 0.00 . . . . . . . 469 GLN H . 51175 1 635 . 1 . 1 84 84 GLN HB2 H 1 1.696 0.00 . . . . . . . 469 GLN HB2 . 51175 1 636 . 1 . 1 84 84 GLN HB3 H 1 1.958 0.00 . . . . . . . 469 GLN HB3 . 51175 1 637 . 1 . 1 84 84 GLN C C 13 176.160 0.00 . . . . . . . 469 GLN C . 51175 1 638 . 1 . 1 84 84 GLN CA C 13 56.223 0.00 . . . . . . . 469 GLN CA . 51175 1 639 . 1 . 1 84 84 GLN CB C 13 29.032 0.00 . . . . . . . 469 GLN CB . 51175 1 640 . 1 . 1 84 84 GLN CG C 13 33.651 0.00 . . . . . . . 469 GLN CG . 51175 1 641 . 1 . 1 84 84 GLN N N 15 120.672 0.05 . . . . . . . 469 GLN N . 51175 1 642 . 1 . 1 85 85 GLN H H 1 8.348 0.00 . . . . . . . 470 GLN H . 51175 1 643 . 1 . 1 85 85 GLN C C 13 176.324 0.00 . . . . . . . 470 GLN C . 51175 1 644 . 1 . 1 85 85 GLN CA C 13 56.092 0.00 . . . . . . . 470 GLN CA . 51175 1 645 . 1 . 1 85 85 GLN CB C 13 29.665 0.00 . . . . . . . 470 GLN CB . 51175 1 646 . 1 . 1 85 85 GLN N N 15 121.097 0.00 . . . . . . . 470 GLN N . 51175 1 647 . 1 . 1 86 86 THR H H 1 8.226 0.00 . . . . . . . 471 THR H . 51175 1 648 . 1 . 1 86 86 THR HA H 1 4.378 0.00 . . . . . . . 471 THR HA . 51175 1 649 . 1 . 1 86 86 THR HB H 1 4.233 0.00 . . . . . . . 471 THR HB . 51175 1 650 . 1 . 1 86 86 THR C C 13 174.683 0.00 . . . . . . . 471 THR C . 51175 1 651 . 1 . 1 86 86 THR CA C 13 62.533 0.00 . . . . . . . 471 THR CA . 51175 1 652 . 1 . 1 86 86 THR CB C 13 69.762 0.00 . . . . . . . 471 THR CB . 51175 1 653 . 1 . 1 86 86 THR CG2 C 13 21.293 0.00 . . . . . . . 471 THR CG2 . 51175 1 654 . 1 . 1 86 86 THR N N 15 115.110 0.00 . . . . . . . 471 THR N . 51175 1 655 . 1 . 1 87 87 THR H H 1 8.058 0.00 . . . . . . . 472 THR H . 51175 1 656 . 1 . 1 87 87 THR HA H 1 4.291 0.00 . . . . . . . 472 THR HA . 51175 1 657 . 1 . 1 87 87 THR HB H 1 4.181 0.00 . . . . . . . 472 THR HB . 51175 1 658 . 1 . 1 87 87 THR C C 13 173.959 0.00 . . . . . . . 472 THR C . 51175 1 659 . 1 . 1 87 87 THR CA C 13 61.780 0.00 . . . . . . . 472 THR CA . 51175 1 660 . 1 . 1 87 87 THR CB C 13 69.780 0.00 . . . . . . . 472 THR CB . 51175 1 661 . 1 . 1 87 87 THR CG2 C 13 21.442 0.00 . . . . . . . 472 THR CG2 . 51175 1 662 . 1 . 1 87 87 THR N N 15 116.116 0.01 . . . . . . . 472 THR N . 51175 1 663 . 1 . 1 88 88 ALA H H 1 8.217 0.00 . . . . . . . 473 ALA H . 51175 1 664 . 1 . 1 88 88 ALA HA H 1 4.295 0.00 . . . . . . . 473 ALA HA . 51175 1 665 . 1 . 1 88 88 ALA HB1 H 1 1.330 0.00 . . . . . . . 473 ALA MB . 51175 1 666 . 1 . 1 88 88 ALA HB2 H 1 1.330 0.00 . . . . . . . 473 ALA MB . 51175 1 667 . 1 . 1 88 88 ALA HB3 H 1 1.330 0.00 . . . . . . . 473 ALA MB . 51175 1 668 . 1 . 1 88 88 ALA C C 13 177.201 0.00 . . . . . . . 473 ALA C . 51175 1 669 . 1 . 1 88 88 ALA CA C 13 52.306 0.03 . . . . . . . 473 ALA CA . 51175 1 670 . 1 . 1 88 88 ALA CB C 13 19.278 0.00 . . . . . . . 473 ALA CB . 51175 1 671 . 1 . 1 88 88 ALA N N 15 126.469 0.02 . . . . . . . 473 ALA N . 51175 1 672 . 1 . 1 89 89 LEU H H 1 8.058 0.01 . . . . . . . 474 LEU H . 51175 1 673 . 1 . 1 89 89 LEU HA H 1 4.536 0.00 . . . . . . . 474 LEU HA . 51175 1 674 . 1 . 1 89 89 LEU C C 13 175.433 0.00 . . . . . . . 474 LEU C . 51175 1 675 . 1 . 1 89 89 LEU CA C 13 53.110 0.00 . . . . . . . 474 LEU CA . 51175 1 676 . 1 . 1 89 89 LEU CB C 13 41.690 0.00 . . . . . . . 474 LEU CB . 51175 1 677 . 1 . 1 89 89 LEU N N 15 122.865 0.03 . . . . . . . 474 LEU N . 51175 1 678 . 1 . 1 90 90 PRO HA H 1 4.339 0.00 . . . . . . . 475 PRO HA . 51175 1 679 . 1 . 1 90 90 PRO HB2 H 1 1.499 0.00 . . . . . . . 475 PRO HB2 . 51175 1 680 . 1 . 1 90 90 PRO HB3 H 1 2.027 0.00 . . . . . . . 475 PRO HB3 . 51175 1 681 . 1 . 1 90 90 PRO C C 13 177.119 0.01 . . . . . . . 475 PRO C . 51175 1 682 . 1 . 1 90 90 PRO CA C 13 63.084 0.11 . . . . . . . 475 PRO CA . 51175 1 683 . 1 . 1 90 90 PRO CB C 13 31.776 0.04 . . . . . . . 475 PRO CB . 51175 1 684 . 1 . 1 90 90 PRO CG C 13 27.621 0.00 . . . . . . . 475 PRO CG . 51175 1 685 . 1 . 1 90 90 PRO CD C 13 50.697 0.00 . . . . . . . 475 PRO CD . 51175 1 686 . 1 . 1 90 90 PRO N N 15 136.060 0.00 . . . . . . . 475 PRO N . 51175 1 687 . 1 . 1 91 91 THR H H 1 7.999 0.00 . . . . . . . 476 THR H . 51175 1 688 . 1 . 1 91 91 THR HA H 1 4.183 0.00 . . . . . . . 476 THR HA . 51175 1 689 . 1 . 1 91 91 THR C C 13 174.589 0.00 . . . . . . . 476 THR C . 51175 1 690 . 1 . 1 91 91 THR CA C 13 61.916 0.09 . . . . . . . 476 THR CA . 51175 1 691 . 1 . 1 91 91 THR CB C 13 69.635 0.00 . . . . . . . 476 THR CB . 51175 1 692 . 1 . 1 91 91 THR CG2 C 13 21.777 0.00 . . . . . . . 476 THR CG2 . 51175 1 693 . 1 . 1 91 91 THR N N 15 113.061 0.01 . . . . . . . 476 THR N . 51175 1 694 . 1 . 1 92 92 TRP H H 1 7.872 0.00 . . . . . . . 477 TRP H . 51175 1 695 . 1 . 1 92 92 TRP HA H 1 4.674 0.00 . . . . . . . 477 TRP HA . 51175 1 696 . 1 . 1 92 92 TRP HB2 H 1 3.284 0.00 . . . . . . . 477 TRP QB . 51175 1 697 . 1 . 1 92 92 TRP HB3 H 1 3.284 0.00 . . . . . . . 477 TRP QB . 51175 1 698 . 1 . 1 92 92 TRP C C 13 176.562 0.00 . . . . . . . 477 TRP C . 51175 1 699 . 1 . 1 92 92 TRP CA C 13 57.153 0.08 . . . . . . . 477 TRP CA . 51175 1 700 . 1 . 1 92 92 TRP CB C 13 29.614 0.00 . . . . . . . 477 TRP CB . 51175 1 701 . 1 . 1 92 92 TRP N N 15 122.169 0.02 . . . . . . . 477 TRP N . 51175 1 702 . 1 . 1 93 93 GLY H H 1 8.137 0.00 . . . . . . . 478 GLY H . 51175 1 703 . 1 . 1 93 93 GLY HA2 H 1 3.784 0.00 . . . . . . . 478 GLY QA . 51175 1 704 . 1 . 1 93 93 GLY HA3 H 1 3.784 0.00 . . . . . . . 478 GLY QA . 51175 1 705 . 1 . 1 93 93 GLY C C 13 173.633 0.00 . . . . . . . 478 GLY C . 51175 1 706 . 1 . 1 93 93 GLY CA C 13 45.290 0.03 . . . . . . . 478 GLY CA . 51175 1 707 . 1 . 1 93 93 GLY N N 15 110.223 0.03 . . . . . . . 478 GLY N . 51175 1 708 . 1 . 1 94 94 LEU H H 1 7.871 0.00 . . . . . . . 479 LEU H . 51175 1 709 . 1 . 1 94 94 LEU HA H 1 4.316 0.00 . . . . . . . 479 LEU HA . 51175 1 710 . 1 . 1 94 94 LEU HB2 H 1 1.545 0.00 . . . . . . . 479 LEU QB . 51175 1 711 . 1 . 1 94 94 LEU HB3 H 1 1.545 0.00 . . . . . . . 479 LEU QB . 51175 1 712 . 1 . 1 94 94 LEU C C 13 176.841 0.00 . . . . . . . 479 LEU C . 51175 1 713 . 1 . 1 94 94 LEU CA C 13 54.666 0.08 . . . . . . . 479 LEU CA . 51175 1 714 . 1 . 1 94 94 LEU CB C 13 42.410 0.00 . . . . . . . 479 LEU CB . 51175 1 715 . 1 . 1 94 94 LEU CG C 13 26.985 0.00 . . . . . . . 479 LEU CG . 51175 1 716 . 1 . 1 94 94 LEU CD1 C 13 25.174 0.00 . . . . . . . 479 LEU CD1 . 51175 1 717 . 1 . 1 94 94 LEU CD2 C 13 23.377 0.00 . . . . . . . 479 LEU CD2 . 51175 1 718 . 1 . 1 94 94 LEU N N 15 121.186 0.01 . . . . . . . 479 LEU N . 51175 1 719 . 1 . 1 95 95 ALA H H 1 8.265 0.00 . . . . . . . 480 ALA H . 51175 1 720 . 1 . 1 95 95 ALA HA H 1 4.545 0.00 . . . . . . . 480 ALA HA . 51175 1 721 . 1 . 1 95 95 ALA C C 13 175.675 0.01 . . . . . . . 480 ALA C . 51175 1 722 . 1 . 1 95 95 ALA CA C 13 50.552 0.00 . . . . . . . 480 ALA CA . 51175 1 723 . 1 . 1 95 95 ALA CB C 13 18.026 0.00 . . . . . . . 480 ALA CB . 51175 1 724 . 1 . 1 95 95 ALA N N 15 126.133 0.02 . . . . . . . 480 ALA N . 51175 1 725 . 1 . 1 96 96 PRO HA H 1 4.406 0.00 . . . . . . . 481 PRO HA . 51175 1 726 . 1 . 1 96 96 PRO HB2 H 1 1.904 0.00 . . . . . . . 481 PRO HB2 . 51175 1 727 . 1 . 1 96 96 PRO HB3 H 1 2.279 0.00 . . . . . . . 481 PRO HB3 . 51175 1 728 . 1 . 1 96 96 PRO C C 13 177.135 0.00 . . . . . . . 481 PRO C . 51175 1 729 . 1 . 1 96 96 PRO CA C 13 63.258 0.11 . . . . . . . 481 PRO CA . 51175 1 730 . 1 . 1 96 96 PRO CB C 13 31.855 0.06 . . . . . . . 481 PRO CB . 51175 1 731 . 1 . 1 96 96 PRO CG C 13 28.746 0.00 . . . . . . . 481 PRO CG . 51175 1 732 . 1 . 1 96 96 PRO CD C 13 50.358 0.00 . . . . . . . 481 PRO CD . 51175 1 733 . 1 . 1 96 96 PRO N N 15 135.879 0.00 . . . . . . . 481 PRO N . 51175 1 734 . 1 . 1 97 97 SER H H 1 8.345 0.00 . . . . . . . 482 SER H . 51175 1 735 . 1 . 1 97 97 SER HA H 1 4.397 0.00 . . . . . . . 482 SER HA . 51175 1 736 . 1 . 1 97 97 SER HB2 H 1 3.847 0.00 . . . . . . . 482 SER HB2 . 51175 1 737 . 1 . 1 97 97 SER HB3 H 1 3.896 0.00 . . . . . . . 482 SER HB3 . 51175 1 738 . 1 . 1 97 97 SER C C 13 175.255 0.00 . . . . . . . 482 SER C . 51175 1 739 . 1 . 1 97 97 SER CA C 13 58.430 0.04 . . . . . . . 482 SER CA . 51175 1 740 . 1 . 1 97 97 SER CB C 13 63.943 0.00 . . . . . . . 482 SER CB . 51175 1 741 . 1 . 1 97 97 SER N N 15 115.526 0.04 . . . . . . . 482 SER N . 51175 1 742 . 1 . 1 98 98 GLY H H 1 8.408 0.00 . . . . . . . 483 GLY H . 51175 1 743 . 1 . 1 98 98 GLY HA2 H 1 3.961 0.00 . . . . . . . 483 GLY HA2 . 51175 1 744 . 1 . 1 98 98 GLY HA3 H 1 3.960 0.00 . . . . . . . 483 GLY HA3 . 51175 1 745 . 1 . 1 98 98 GLY C C 13 174.241 0.00 . . . . . . . 483 GLY C . 51175 1 746 . 1 . 1 98 98 GLY CA C 13 45.356 0.03 . . . . . . . 483 GLY CA . 51175 1 747 . 1 . 1 98 98 GLY N N 15 110.682 0.02 . . . . . . . 483 GLY N . 51175 1 748 . 1 . 1 99 99 LYS H H 1 8.201 0.00 . . . . . . . 484 LYS H . 51175 1 749 . 1 . 1 99 99 LYS HA H 1 4.296 0.00 . . . . . . . 484 LYS HA . 51175 1 750 . 1 . 1 99 99 LYS HB2 H 1 1.726 0.00 . . . . . . . 484 LYS HB2 . 51175 1 751 . 1 . 1 99 99 LYS HB3 H 1 1.845 0.00 . . . . . . . 484 LYS HB3 . 51175 1 752 . 1 . 1 99 99 LYS C C 13 177.219 0.00 . . . . . . . 484 LYS C . 51175 1 753 . 1 . 1 99 99 LYS CA C 13 56.340 0.04 . . . . . . . 484 LYS CA . 51175 1 754 . 1 . 1 99 99 LYS CB C 13 32.908 0.00 . . . . . . . 484 LYS CB . 51175 1 755 . 1 . 1 99 99 LYS CG C 13 24.796 0.00 . . . . . . . 484 LYS CG . 51175 1 756 . 1 . 1 99 99 LYS CD C 13 29.149 0.00 . . . . . . . 484 LYS CD . 51175 1 757 . 1 . 1 99 99 LYS N N 15 120.634 0.07 . . . . . . . 484 LYS N . 51175 1 758 . 1 . 1 100 100 GLY H H 1 8.462 0.00 . . . . . . . 485 GLY H . 51175 1 759 . 1 . 1 100 100 GLY HA2 H 1 3.933 0.00 . . . . . . . 485 GLY HA2 . 51175 1 760 . 1 . 1 100 100 GLY HA3 H 1 3.932 0.00 . . . . . . . 485 GLY HA3 . 51175 1 761 . 1 . 1 100 100 GLY C C 13 174.198 0.00 . . . . . . . 485 GLY C . 51175 1 762 . 1 . 1 100 100 GLY CA C 13 45.350 0.07 . . . . . . . 485 GLY CA . 51175 1 763 . 1 . 1 100 100 GLY N N 15 109.804 0.01 . . . . . . . 485 GLY N . 51175 1 764 . 1 . 1 101 101 ARG H H 1 8.217 0.00 . . . . . . . 486 ARG H . 51175 1 765 . 1 . 1 101 101 ARG HA H 1 4.319 0.00 . . . . . . . 486 ARG HA . 51175 1 766 . 1 . 1 101 101 ARG HB2 H 1 1.733 0.00 . . . . . . . 486 ARG HB2 . 51175 1 767 . 1 . 1 101 101 ARG HB3 H 1 1.860 0.00 . . . . . . . 486 ARG HB3 . 51175 1 768 . 1 . 1 101 101 ARG C C 13 176.876 0.00 . . . . . . . 486 ARG C . 51175 1 769 . 1 . 1 101 101 ARG CA C 13 56.252 0.00 . . . . . . . 486 ARG CA . 51175 1 770 . 1 . 1 101 101 ARG CB C 13 30.782 0.10 . . . . . . . 486 ARG CB . 51175 1 771 . 1 . 1 101 101 ARG CG C 13 26.180 0.00 . . . . . . . 486 ARG CG . 51175 1 772 . 1 . 1 101 101 ARG CD C 13 43.289 0.00 . . . . . . . 486 ARG CD . 51175 1 773 . 1 . 1 101 101 ARG N N 15 120.430 0.02 . . . . . . . 486 ARG N . 51175 1 774 . 1 . 1 102 102 GLY H H 1 8.438 0.00 . . . . . . . 487 GLY H . 51175 1 775 . 1 . 1 102 102 GLY HA2 H 1 3.921 0.00 . . . . . . . 487 GLY QA . 51175 1 776 . 1 . 1 102 102 GLY HA3 H 1 3.921 0.00 . . . . . . . 487 GLY QA . 51175 1 777 . 1 . 1 102 102 GLY C C 13 173.967 0.00 . . . . . . . 487 GLY C . 51175 1 778 . 1 . 1 102 102 GLY CA C 13 45.171 0.04 . . . . . . . 487 GLY CA . 51175 1 779 . 1 . 1 102 102 GLY N N 15 109.671 0.02 . . . . . . . 487 GLY N . 51175 1 780 . 1 . 1 103 103 LEU H H 1 8.115 0.00 . . . . . . . 488 LEU H . 51175 1 781 . 1 . 1 103 103 LEU HA H 1 4.304 0.00 . . . . . . . 488 LEU HA . 51175 1 782 . 1 . 1 103 103 LEU HB2 H 1 1.505 0.00 . . . . . . . 488 LEU HB2 . 51175 1 783 . 1 . 1 103 103 LEU HB3 H 1 1.556 0.00 . . . . . . . 488 LEU HB3 . 51175 1 784 . 1 . 1 103 103 LEU C C 13 177.381 0.00 . . . . . . . 488 LEU C . 51175 1 785 . 1 . 1 103 103 LEU CA C 13 55.056 0.01 . . . . . . . 488 LEU CA . 51175 1 786 . 1 . 1 103 103 LEU CB C 13 42.371 0.00 . . . . . . . 488 LEU CB . 51175 1 787 . 1 . 1 103 103 LEU CD1 C 13 24.796 0.00 . . . . . . . 488 LEU CD1 . 51175 1 788 . 1 . 1 103 103 LEU CD2 C 13 23.438 0.00 . . . . . . . 488 LEU CD2 . 51175 1 789 . 1 . 1 103 103 LEU N N 15 121.489 0.01 . . . . . . . 488 LEU N . 51175 1 790 . 1 . 1 104 104 GLN H H 1 8.373 0.00 . . . . . . . 489 GLN H . 51175 1 791 . 1 . 1 104 104 GLN HA H 1 4.234 0.00 . . . . . . . 489 GLN HA . 51175 1 792 . 1 . 1 104 104 GLN HB2 H 1 1.893 0.00 . . . . . . . 489 GLN HB2 . 51175 1 793 . 1 . 1 104 104 GLN HB3 H 1 1.980 0.00 . . . . . . . 489 GLN HB3 . 51175 1 794 . 1 . 1 104 104 GLN C C 13 175.504 0.00 . . . . . . . 489 GLN C . 51175 1 795 . 1 . 1 104 104 GLN CA C 13 55.778 0.05 . . . . . . . 489 GLN CA . 51175 1 796 . 1 . 1 104 104 GLN CB C 13 29.665 0.00 . . . . . . . 489 GLN CB . 51175 1 797 . 1 . 1 104 104 GLN CG C 13 33.879 0.00 . . . . . . . 489 GLN CG . 51175 1 798 . 1 . 1 104 104 GLN N N 15 120.946 0.02 . . . . . . . 489 GLN N . 51175 1 799 . 1 . 1 105 105 HIS H H 1 8.445 0.00 . . . . . . . 490 HIS H . 51175 1 800 . 1 . 1 105 105 HIS HA H 1 4.939 0.00 . . . . . . . 490 HIS HA . 51175 1 801 . 1 . 1 105 105 HIS C C 13 171.821 0.00 . . . . . . . 490 HIS C . 51175 1 802 . 1 . 1 105 105 HIS CA C 13 53.175 0.00 . . . . . . . 490 HIS CA . 51175 1 803 . 1 . 1 105 105 HIS CB C 13 28.887 0.00 . . . . . . . 490 HIS CB . 51175 1 804 . 1 . 1 105 105 HIS N N 15 119.644 0.04 . . . . . . . 490 HIS N . 51175 1 805 . 1 . 1 108 108 PRO HA H 1 4.451 0.00 . . . . . . . 493 PRO HA . 51175 1 806 . 1 . 1 108 108 PRO HB2 H 1 1.882 0.00 . . . . . . . 493 PRO HB2 . 51175 1 807 . 1 . 1 108 108 PRO HB3 H 1 2.263 0.00 . . . . . . . 493 PRO HB3 . 51175 1 808 . 1 . 1 108 108 PRO C C 13 177.042 0.00 . . . . . . . 493 PRO C . 51175 1 809 . 1 . 1 108 108 PRO CA C 13 62.794 0.12 . . . . . . . 493 PRO CA . 51175 1 810 . 1 . 1 108 108 PRO CB C 13 32.027 0.00 . . . . . . . 493 PRO CB . 51175 1 811 . 1 . 1 108 108 PRO CD C 13 50.711 0.00 . . . . . . . 493 PRO CD . 51175 1 812 . 1 . 1 109 109 VAL H H 1 8.252 0.00 . . . . . . . 494 VAL H . 51175 1 813 . 1 . 1 109 109 VAL HA H 1 4.058 0.00 . . . . . . . 494 VAL HA . 51175 1 814 . 1 . 1 109 109 VAL HB H 1 2.039 0.00 . . . . . . . 494 VAL HB . 51175 1 815 . 1 . 1 109 109 VAL C C 13 176.898 0.01 . . . . . . . 494 VAL C . 51175 1 816 . 1 . 1 109 109 VAL CA C 13 62.709 0.04 . . . . . . . 494 VAL CA . 51175 1 817 . 1 . 1 109 109 VAL CB C 13 32.475 0.00 . . . . . . . 494 VAL CB . 51175 1 818 . 1 . 1 109 109 VAL CG2 C 13 20.872 0.00 . . . . . . . 494 VAL CG2 . 51175 1 819 . 1 . 1 109 109 VAL N N 15 120.773 0.04 . . . . . . . 494 VAL N . 51175 1 820 . 1 . 1 110 110 GLY H H 1 8.517 0.00 . . . . . . . 495 GLY H . 51175 1 821 . 1 . 1 110 110 GLY HA2 H 1 3.979 0.00 . . . . . . . 495 GLY QA . 51175 1 822 . 1 . 1 110 110 GLY HA3 H 1 3.979 0.00 . . . . . . . 495 GLY QA . 51175 1 823 . 1 . 1 110 110 GLY C C 13 174.266 0.00 . . . . . . . 495 GLY C . 51175 1 824 . 1 . 1 110 110 GLY CA C 13 45.178 0.05 . . . . . . . 495 GLY CA . 51175 1 825 . 1 . 1 110 110 GLY N N 15 112.795 0.02 . . . . . . . 495 GLY N . 51175 1 826 . 1 . 1 111 111 SER H H 1 8.203 0.00 . . . . . . . 496 SER H . 51175 1 827 . 1 . 1 111 111 SER HA H 1 4.425 0.01 . . . . . . . 496 SER HA . 51175 1 828 . 1 . 1 111 111 SER HB2 H 1 3.834 0.00 . . . . . . . 496 SER HB2 . 51175 1 829 . 1 . 1 111 111 SER HB3 H 1 3.881 0.00 . . . . . . . 496 SER HB3 . 51175 1 830 . 1 . 1 111 111 SER C C 13 174.692 0.00 . . . . . . . 496 SER C . 51175 1 831 . 1 . 1 111 111 SER CA C 13 58.448 0.02 . . . . . . . 496 SER CA . 51175 1 832 . 1 . 1 111 111 SER CB C 13 63.918 0.00 . . . . . . . 496 SER CB . 51175 1 833 . 1 . 1 111 111 SER N N 15 115.553 0.01 . . . . . . . 496 SER N . 51175 1 834 . 1 . 1 112 112 GLN H H 1 8.507 0.00 . . . . . . . 497 GLN H . 51175 1 835 . 1 . 1 112 112 GLN HA H 1 4.354 0.00 . . . . . . . 497 GLN HA . 51175 1 836 . 1 . 1 112 112 GLN HB2 H 1 1.978 0.00 . . . . . . . 497 GLN HB2 . 51175 1 837 . 1 . 1 112 112 GLN HB3 H 1 2.127 0.00 . . . . . . . 497 GLN HB3 . 51175 1 838 . 1 . 1 112 112 GLN C C 13 175.833 0.00 . . . . . . . 497 GLN C . 51175 1 839 . 1 . 1 112 112 GLN CA C 13 55.889 0.03 . . . . . . . 497 GLN CA . 51175 1 840 . 1 . 1 112 112 GLN CB C 13 29.329 0.00 . . . . . . . 497 GLN CB . 51175 1 841 . 1 . 1 112 112 GLN CG C 13 33.829 0.00 . . . . . . . 497 GLN CG . 51175 1 842 . 1 . 1 112 112 GLN N N 15 122.106 0.01 . . . . . . . 497 GLN N . 51175 1 843 . 1 . 1 113 113 GLU H H 1 8.359 0.00 . . . . . . . 498 GLU H . 51175 1 844 . 1 . 1 113 113 GLU HA H 1 4.384 0.00 . . . . . . . 498 GLU HA . 51175 1 845 . 1 . 1 113 113 GLU HB2 H 1 1.941 0.00 . . . . . . . 498 GLU HB2 . 51175 1 846 . 1 . 1 113 113 GLU HB3 H 1 2.112 0.00 . . . . . . . 498 GLU HB3 . 51175 1 847 . 1 . 1 113 113 GLU C C 13 176.247 0.00 . . . . . . . 498 GLU C . 51175 1 848 . 1 . 1 113 113 GLU CA C 13 55.921 0.11 . . . . . . . 498 GLU CA . 51175 1 849 . 1 . 1 113 113 GLU CB C 13 29.701 0.00 . . . . . . . 498 GLU CB . 51175 1 850 . 1 . 1 113 113 GLU CG C 13 33.904 0.00 . . . . . . . 498 GLU CG . 51175 1 851 . 1 . 1 113 113 GLU N N 15 121.447 0.12 . . . . . . . 498 GLU N . 51175 1 852 . 1 . 1 114 114 GLY H H 1 8.280 0.00 . . . . . . . 499 GLY H . 51175 1 853 . 1 . 1 114 114 GLY HA2 H 1 3.977 0.00 . . . . . . . 499 GLY HA1 . 51175 1 854 . 1 . 1 114 114 GLY HA3 H 1 4.123 0.00 . . . . . . . 499 GLY HA2 . 51175 1 855 . 1 . 1 114 114 GLY C C 13 171.668 0.02 . . . . . . . 499 GLY C . 51175 1 856 . 1 . 1 114 114 GLY CA C 13 44.562 0.00 . . . . . . . 499 GLY CA . 51175 1 857 . 1 . 1 114 114 GLY N N 15 110.316 0.02 . . . . . . . 499 GLY N . 51175 1 858 . 1 . 1 115 115 PRO HA H 1 4.385 0.00 . . . . . . . 500 PRO HA . 51175 1 859 . 1 . 1 115 115 PRO HB2 H 1 1.880 0.00 . . . . . . . 500 PRO HB2 . 51175 1 860 . 1 . 1 115 115 PRO HB3 H 1 2.233 0.00 . . . . . . . 500 PRO HB3 . 51175 1 861 . 1 . 1 115 115 PRO C C 13 177.111 0.00 . . . . . . . 500 PRO C . 51175 1 862 . 1 . 1 115 115 PRO CA C 13 63.287 0.20 . . . . . . . 500 PRO CA . 51175 1 863 . 1 . 1 115 115 PRO CB C 13 32.211 0.00 . . . . . . . 500 PRO CB . 51175 1 864 . 1 . 1 115 115 PRO CD C 13 49.830 0.00 . . . . . . . 500 PRO CD . 51175 1 865 . 1 . 1 115 115 PRO N N 15 134.351 0.00 . . . . . . . 500 PRO N . 51175 1 866 . 1 . 1 116 116 LYS H H 1 8.411 0.00 . . . . . . . 501 LYS H . 51175 1 867 . 1 . 1 116 116 LYS HA H 1 4.274 0.00 . . . . . . . 501 LYS HA . 51175 1 868 . 1 . 1 116 116 LYS HB2 H 1 1.711 0.00 . . . . . . . 501 LYS HB2 . 51175 1 869 . 1 . 1 116 116 LYS HB3 H 1 1.783 0.00 . . . . . . . 501 LYS HB3 . 51175 1 870 . 1 . 1 116 116 LYS C C 13 176.174 0.00 . . . . . . . 501 LYS C . 51175 1 871 . 1 . 1 116 116 LYS CA C 13 56.094 0.00 . . . . . . . 501 LYS CA . 51175 1 872 . 1 . 1 116 116 LYS CB C 13 33.038 0.00 . . . . . . . 501 LYS CB . 51175 1 873 . 1 . 1 116 116 LYS N N 15 121.245 0.08 . . . . . . . 501 LYS N . 51175 1 874 . 1 . 1 117 117 ASP H H 1 8.290 0.00 . . . . . . . 502 ASP H . 51175 1 875 . 1 . 1 117 117 ASP HA H 1 4.853 0.00 . . . . . . . 502 ASP HA . 51175 1 876 . 1 . 1 117 117 ASP C C 13 174.252 0.00 . . . . . . . 502 ASP C . 51175 1 877 . 1 . 1 117 117 ASP CA C 13 51.722 0.00 . . . . . . . 502 ASP CA . 51175 1 878 . 1 . 1 117 117 ASP CB C 13 39.948 0.00 . . . . . . . 502 ASP CB . 51175 1 879 . 1 . 1 117 117 ASP N N 15 121.540 0.02 . . . . . . . 502 ASP N . 51175 1 880 . 1 . 1 118 118 PRO HA H 1 4.239 0.00 . . . . . . . 503 PRO HA . 51175 1 881 . 1 . 1 118 118 PRO HB2 H 1 1.880 0.00 . . . . . . . 503 PRO HB2 . 51175 1 882 . 1 . 1 118 118 PRO HB3 H 1 2.215 0.00 . . . . . . . 503 PRO HB3 . 51175 1 883 . 1 . 1 118 118 PRO C C 13 177.361 0.00 . . . . . . . 503 PRO C . 51175 1 884 . 1 . 1 118 118 PRO CA C 13 63.721 0.00 . . . . . . . 503 PRO CA . 51175 1 885 . 1 . 1 118 118 PRO CB C 13 31.968 0.00 . . . . . . . 503 PRO CB . 51175 1 886 . 1 . 1 118 118 PRO CD C 13 50.736 0.00 . . . . . . . 503 PRO CD . 51175 1 887 . 1 . 1 118 118 PRO N N 15 136.933 0.00 . . . . . . . 503 PRO N . 51175 1 888 . 1 . 1 119 119 GLU H H 1 8.311 0.00 . . . . . . . 504 GLU H . 51175 1 889 . 1 . 1 119 119 GLU HA H 1 4.184 0.00 . . . . . . . 504 GLU HA . 51175 1 890 . 1 . 1 119 119 GLU HB2 H 1 1.838 0.00 . . . . . . . 504 GLU HB2 . 51175 1 891 . 1 . 1 119 119 GLU HB3 H 1 1.915 0.00 . . . . . . . 504 GLU HB3 . 51175 1 892 . 1 . 1 119 119 GLU C C 13 176.470 0.00 . . . . . . . 504 GLU C . 51175 1 893 . 1 . 1 119 119 GLU CA C 13 56.257 0.11 . . . . . . . 504 GLU CA . 51175 1 894 . 1 . 1 119 119 GLU CB C 13 28.485 0.00 . . . . . . . 504 GLU CB . 51175 1 895 . 1 . 1 119 119 GLU CG C 13 33.815 0.00 . . . . . . . 504 GLU CG . 51175 1 896 . 1 . 1 119 119 GLU N N 15 118.785 0.07 . . . . . . . 504 GLU N . 51175 1 897 . 1 . 1 120 120 ALA H H 1 7.999 0.00 . . . . . . . 505 ALA H . 51175 1 898 . 1 . 1 120 120 ALA HA H 1 4.149 0.00 . . . . . . . 505 ALA HA . 51175 1 899 . 1 . 1 120 120 ALA HB1 H 1 1.307 0.00 . . . . . . . 505 ALA MB . 51175 1 900 . 1 . 1 120 120 ALA HB2 H 1 1.307 0.00 . . . . . . . 505 ALA MB . 51175 1 901 . 1 . 1 120 120 ALA HB3 H 1 1.307 0.00 . . . . . . . 505 ALA MB . 51175 1 902 . 1 . 1 120 120 ALA C C 13 177.706 0.00 . . . . . . . 505 ALA C . 51175 1 903 . 1 . 1 120 120 ALA CA C 13 53.086 0.05 . . . . . . . 505 ALA CA . 51175 1 904 . 1 . 1 120 120 ALA CB C 13 18.958 0.00 . . . . . . . 505 ALA CB . 51175 1 905 . 1 . 1 120 120 ALA N N 15 123.585 0.02 . . . . . . . 505 ALA N . 51175 1 906 . 1 . 1 121 121 TRP H H 1 7.807 0.00 . . . . . . . 506 TRP H . 51175 1 907 . 1 . 1 121 121 TRP HA H 1 4.604 0.00 . . . . . . . 506 TRP HA . 51175 1 908 . 1 . 1 121 121 TRP HB2 H 1 3.245 0.00 . . . . . . . 506 TRP QB . 51175 1 909 . 1 . 1 121 121 TRP HB3 H 1 3.245 0.00 . . . . . . . 506 TRP QB . 51175 1 910 . 1 . 1 121 121 TRP C C 13 176.203 0.00 . . . . . . . 506 TRP C . 51175 1 911 . 1 . 1 121 121 TRP CA C 13 57.178 0.08 . . . . . . . 506 TRP CA . 51175 1 912 . 1 . 1 121 121 TRP CB C 13 29.300 0.00 . . . . . . . 506 TRP CB . 51175 1 913 . 1 . 1 121 121 TRP N N 15 118.568 0.01 . . . . . . . 506 TRP N . 51175 1 914 . 1 . 1 122 122 SER H H 1 7.803 0.00 . . . . . . . 507 SER H . 51175 1 915 . 1 . 1 122 122 SER HA H 1 4.296 0.00 . . . . . . . 507 SER HA . 51175 1 916 . 1 . 1 122 122 SER HB2 H 1 3.554 0.00 . . . . . . . 507 SER HB2 . 51175 1 917 . 1 . 1 122 122 SER HB3 H 1 3.665 0.00 . . . . . . . 507 SER HB3 . 51175 1 918 . 1 . 1 122 122 SER C C 13 173.676 0.00 . . . . . . . 507 SER C . 51175 1 919 . 1 . 1 122 122 SER CA C 13 57.993 0.06 . . . . . . . 507 SER CA . 51175 1 920 . 1 . 1 122 122 SER CB C 13 63.765 0.00 . . . . . . . 507 SER CB . 51175 1 921 . 1 . 1 122 122 SER N N 15 116.785 0.04 . . . . . . . 507 SER N . 51175 1 922 . 1 . 1 123 123 ARG H H 1 7.921 0.00 . . . . . . . 508 ARG H . 51175 1 923 . 1 . 1 123 123 ARG HA H 1 4.352 0.00 . . . . . . . 508 ARG HA . 51175 1 924 . 1 . 1 123 123 ARG C C 13 174.048 0.01 . . . . . . . 508 ARG C . 51175 1 925 . 1 . 1 123 123 ARG CA C 13 53.917 0.00 . . . . . . . 508 ARG CA . 51175 1 926 . 1 . 1 123 123 ARG CB C 13 30.285 0.00 . . . . . . . 508 ARG CB . 51175 1 927 . 1 . 1 123 123 ARG N N 15 123.383 0.02 . . . . . . . 508 ARG N . 51175 1 928 . 1 . 1 124 124 PRO HA H 1 4.354 0.00 . . . . . . . 509 PRO HA . 51175 1 929 . 1 . 1 124 124 PRO HB2 H 1 1.872 0.00 . . . . . . . 509 PRO HB2 . 51175 1 930 . 1 . 1 124 124 PRO HB3 H 1 2.263 0.00 . . . . . . . 509 PRO HB3 . 51175 1 931 . 1 . 1 124 124 PRO C C 13 177.011 0.00 . . . . . . . 509 PRO C . 51175 1 932 . 1 . 1 124 124 PRO CA C 13 63.189 0.08 . . . . . . . 509 PRO CA . 51175 1 933 . 1 . 1 124 124 PRO CB C 13 32.031 0.03 . . . . . . . 509 PRO CB . 51175 1 934 . 1 . 1 124 124 PRO CG C 13 27.379 0.06 . . . . . . . 509 PRO CG . 51175 1 935 . 1 . 1 124 124 PRO CD C 13 50.834 0.00 . . . . . . . 509 PRO CD . 51175 1 936 . 1 . 1 124 124 PRO N N 15 136.981 0.00 . . . . . . . 509 PRO N . 51175 1 937 . 1 . 1 125 125 GLN H H 1 8.512 0.00 . . . . . . . 510 GLN H . 51175 1 938 . 1 . 1 125 125 GLN HA H 1 4.210 0.00 . . . . . . . 510 GLN HA . 51175 1 939 . 1 . 1 125 125 GLN HB2 H 1 1.937 0.00 . . . . . . . 510 GLN HB2 . 51175 1 940 . 1 . 1 125 125 GLN HB3 H 1 2.010 0.00 . . . . . . . 510 GLN HB3 . 51175 1 941 . 1 . 1 125 125 GLN C C 13 177.025 0.00 . . . . . . . 510 GLN C . 51175 1 942 . 1 . 1 125 125 GLN CA C 13 56.469 0.01 . . . . . . . 510 GLN CA . 51175 1 943 . 1 . 1 125 125 GLN CB C 13 29.105 0.00 . . . . . . . 510 GLN CB . 51175 1 944 . 1 . 1 125 125 GLN CG C 13 33.815 0.00 . . . . . . . 510 GLN CG . 51175 1 945 . 1 . 1 125 125 GLN N N 15 120.484 0.04 . . . . . . . 510 GLN N . 51175 1 946 . 1 . 1 126 126 GLY H H 1 8.493 0.00 . . . . . . . 511 GLY H . 51175 1 947 . 1 . 1 126 126 GLY HA2 H 1 3.840 0.00 . . . . . . . 511 GLY HA1 . 51175 1 948 . 1 . 1 126 126 GLY HA3 H 1 3.931 0.00 . . . . . . . 511 GLY HA2 . 51175 1 949 . 1 . 1 126 126 GLY C C 13 174.132 0.00 . . . . . . . 511 GLY C . 51175 1 950 . 1 . 1 126 126 GLY CA C 13 45.450 0.01 . . . . . . . 511 GLY CA . 51175 1 951 . 1 . 1 126 126 GLY N N 15 109.941 0.01 . . . . . . . 511 GLY N . 51175 1 952 . 1 . 1 127 127 TRP H H 1 7.905 0.00 . . . . . . . 512 TRP H . 51175 1 953 . 1 . 1 127 127 TRP HA H 1 4.458 0.00 . . . . . . . 512 TRP HA . 51175 1 954 . 1 . 1 127 127 TRP HB2 H 1 3.136 0.00 . . . . . . . 512 TRP HB2 . 51175 1 955 . 1 . 1 127 127 TRP HB3 H 1 3.182 0.00 . . . . . . . 512 TRP HB3 . 51175 1 956 . 1 . 1 127 127 TRP C C 13 176.014 0.00 . . . . . . . 512 TRP C . 51175 1 957 . 1 . 1 127 127 TRP CA C 13 58.034 0.04 . . . . . . . 512 TRP CA . 51175 1 958 . 1 . 1 127 127 TRP CB C 13 29.613 0.00 . . . . . . . 512 TRP CB . 51175 1 959 . 1 . 1 127 127 TRP N N 15 120.906 0.02 . . . . . . . 512 TRP N . 51175 1 960 . 1 . 1 128 128 TYR H H 1 7.680 0.00 . . . . . . . 513 TYR H . 51175 1 961 . 1 . 1 128 128 TYR HA H 1 4.297 0.00 . . . . . . . 513 TYR HA . 51175 1 962 . 1 . 1 128 128 TYR HB2 H 1 2.714 0.00 . . . . . . . 513 TYR HB2 . 51175 1 963 . 1 . 1 128 128 TYR HB3 H 1 2.814 0.00 . . . . . . . 513 TYR HB3 . 51175 1 964 . 1 . 1 128 128 TYR C C 13 174.950 0.00 . . . . . . . 513 TYR C . 51175 1 965 . 1 . 1 128 128 TYR CA C 13 57.625 0.06 . . . . . . . 513 TYR CA . 51175 1 966 . 1 . 1 128 128 TYR CB C 13 38.582 0.00 . . . . . . . 513 TYR CB . 51175 1 967 . 1 . 1 128 128 TYR N N 15 120.523 0.02 . . . . . . . 513 TYR N . 51175 1 968 . 1 . 1 129 129 ASN H H 1 8.058 0.01 . . . . . . . 514 ASN H . 51175 1 969 . 1 . 1 129 129 ASN HA H 1 4.460 0.00 . . . . . . . 514 ASN HA . 51175 1 970 . 1 . 1 129 129 ASN HB2 H 1 2.600 0.00 . . . . . . . 514 ASN HB2 . 51175 1 971 . 1 . 1 129 129 ASN HB3 H 1 2.722 0.00 . . . . . . . 514 ASN HB3 . 51175 1 972 . 1 . 1 129 129 ASN C C 13 174.910 0.00 . . . . . . . 514 ASN C . 51175 1 973 . 1 . 1 129 129 ASN CA C 13 53.070 0.04 . . . . . . . 514 ASN CA . 51175 1 974 . 1 . 1 129 129 ASN CB C 13 38.565 0.00 . . . . . . . 514 ASN CB . 51175 1 975 . 1 . 1 129 129 ASN N N 15 119.861 0.01 . . . . . . . 514 ASN N . 51175 1 976 . 1 . 1 130 130 HIS H H 1 8.322 0.00 . . . . . . . 515 HIS H . 51175 1 977 . 1 . 1 130 130 HIS HA H 1 4.635 0.00 . . . . . . . 515 HIS HA . 51175 1 978 . 1 . 1 130 130 HIS HB2 H 1 3.092 0.00 . . . . . . . 515 HIS HB2 . 51175 1 979 . 1 . 1 130 130 HIS HB3 H 1 3.235 0.00 . . . . . . . 515 HIS HB3 . 51175 1 980 . 1 . 1 130 130 HIS C C 13 174.328 0.00 . . . . . . . 515 HIS C . 51175 1 981 . 1 . 1 130 130 HIS CA C 13 55.360 0.09 . . . . . . . 515 HIS CA . 51175 1 982 . 1 . 1 130 130 HIS CB C 13 28.698 0.00 . . . . . . . 515 HIS CB . 51175 1 983 . 1 . 1 130 130 HIS N N 15 119.528 0.01 . . . . . . . 515 HIS N . 51175 1 984 . 1 . 1 131 131 SER H H 1 8.333 0.00 . . . . . . . 516 SER H . 51175 1 985 . 1 . 1 131 131 SER HA H 1 4.409 0.00 . . . . . . . 516 SER HA . 51175 1 986 . 1 . 1 131 131 SER HB2 H 1 3.835 0.00 . . . . . . . 516 SER QB . 51175 1 987 . 1 . 1 131 131 SER HB3 H 1 3.835 0.00 . . . . . . . 516 SER QB . 51175 1 988 . 1 . 1 131 131 SER C C 13 174.828 0.00 . . . . . . . 516 SER C . 51175 1 989 . 1 . 1 131 131 SER CA C 13 58.633 0.06 . . . . . . . 516 SER CA . 51175 1 990 . 1 . 1 131 131 SER CB C 13 63.847 0.00 . . . . . . . 516 SER CB . 51175 1 991 . 1 . 1 131 131 SER N N 15 116.951 0.02 . . . . . . . 516 SER N . 51175 1 992 . 1 . 1 132 132 GLY H H 1 8.385 0.00 . . . . . . . 517 GLY H . 51175 1 993 . 1 . 1 132 132 GLY HA2 H 1 3.909 0.00 . . . . . . . 517 GLY HA1 . 51175 1 994 . 1 . 1 132 132 GLY HA3 H 1 3.946 0.00 . . . . . . . 517 GLY HA2 . 51175 1 995 . 1 . 1 132 132 GLY C C 13 173.079 0.01 . . . . . . . 517 GLY C . 51175 1 996 . 1 . 1 132 132 GLY CA C 13 45.276 0.06 . . . . . . . 517 GLY CA . 51175 1 997 . 1 . 1 132 132 GLY N N 15 111.278 0.01 . . . . . . . 517 GLY N . 51175 1 998 . 1 . 1 133 133 LYS H H 1 7.863 0.00 . . . . . . . 518 LYS H . 51175 1 999 . 1 . 1 133 133 LYS HA H 1 4.170 0.00 . . . . . . . 518 LYS HA . 51175 1 1000 . 1 . 1 133 133 LYS C C 13 181.290 0.00 . . . . . . . 518 LYS C . 51175 1 1001 . 1 . 1 133 133 LYS CA C 13 57.477 0.00 . . . . . . . 518 LYS CA . 51175 1 1002 . 1 . 1 133 133 LYS CB C 13 33.730 0.00 . . . . . . . 518 LYS CB . 51175 1 1003 . 1 . 1 133 133 LYS N N 15 125.526 0.03 . . . . . . . 518 LYS N . 51175 1 stop_ save_ ######################## # Coupling constants # ######################## save_RIPK3_388_518_3JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode RIPK3_388_518_3JHNHA _Coupling_constant_list.Entry_ID 51175 _Coupling_constant_list.ID 1 _Coupling_constant_list.Name . _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 10 '3D HNHA gp' . . . 51175 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 2 2 SER HN H 1 . . 1 1 2 2 SER HA H 1 . 7.0642588 . . 0.304374403 . . . . 387 SER HN . . 387 SER HA . 51175 1 2 3JHNHA . 1 1 3 3 SER HN H 1 . . 1 1 3 3 SER HA H 1 . 6.0158506 . . 0.300669203 . . . . 388 SER HN . . 388 SER HA . 51175 1 3 3JHNHA . 1 1 4 4 SER HN H 1 . . 1 1 4 4 SER HA H 1 . 6.3645477 . . 0.318096911 . . . . 389 SER HN . . 389 SER HA . 51175 1 4 3JHNHA . 1 1 5 5 ASP HN H 1 . . 1 1 5 5 ASP HA H 1 . 6.2144919 . . 0.310597196 . . . . 390 ASP HN . . 390 ASP HA . 51175 1 5 3JHNHA . 1 1 6 6 SER HN H 1 . . 1 1 6 6 SER HA H 1 . 6.0605218 . . 0.302901850 . . . . 391 SER HN . . 391 SER HA . 51175 1 6 3JHNHA . 1 1 7 7 MET HN H 1 . . 1 1 7 7 MET HA H 1 . 5.9817484 . . 0.298964793 . . . . 392 MET HN . . 392 MET HA . 51175 1 7 3JHNHA . 1 1 8 8 ALA HN H 1 . . 1 1 8 8 ALA HA H 1 . 5.0881320 . . 0.254302291 . . . . 393 ALA HN . . 393 ALA HA . 51175 1 8 3JHNHA . 1 1 9 9 GLN HN H 1 . . 1 1 9 9 GLN HA H 1 . 6.3665221 . . 0.318195589 . . . . 394 GLN HN . . 394 GLN HA . 51175 1 9 3JHNHA . 1 1 12 12 GLN HN H 1 . . 1 1 12 12 GLN HA H 1 . 5.6946239 . . 0.284614452 . . . . 397 GLN HN . . 397 GLN HA . 51175 1 10 3JHNHA . 1 1 13 13 THR HN H 1 . . 1 1 13 13 THR HA H 1 . 6.5067266 . . 0.325202939 . . . . 398 THR HN . . 398 THR HA . 51175 1 11 3JHNHA . 1 1 16 16 THR HN H 1 . . 1 1 16 16 THR HA H 1 . 6.6874178 . . 0.334233798 . . . . 401 THR HN . . 401 THR HA . 51175 1 12 3JHNHA . 1 1 17 17 SER HN H 1 . . 1 1 17 17 SER HA H 1 . 5.6990096 . . 0.284833651 . . . . 402 SER HN . . 402 SER HA . 51175 1 13 3JHNHA . 1 1 18 18 THR HN H 1 . . 1 1 18 18 THR HA H 1 . 6.9024703 . . 0.344982013 . . . . 403 THR HN . . 403 THR HA . 51175 1 14 3JHNHA . 1 1 21 21 ASN HN H 1 . . 1 1 21 21 ASN HA H 1 . 6.1377560 . . 0.306761976 . . . . 406 ASN HN . . 406 ASN HA . 51175 1 15 3JHNHA . 1 1 25 25 SER HN H 1 . . 1 1 25 25 SER HA H 1 . 5.6073557 . . 0.280252833 . . . . 410 SER HN . . 410 SER HA . 51175 1 16 3JHNHA . 1 1 27 27 THR HN H 1 . . 1 1 27 27 THR HA H 1 . 7.3177044 . . 0.365735206 . . . . 412 THR HN . . 412 THR HA . 51175 1 17 3JHNHA . 1 1 28 28 SER HN H 1 . . 1 1 28 28 SER HA H 1 . 6.2186898 . . 0.310807006 . . . . 413 SER HN . . 413 SER HA . 51175 1 18 3JHNHA . 1 1 29 29 THR HN H 1 . . 1 1 29 29 THR HA H 1 . 7.4770015 . . 0.373696797 . . . . 414 THR HN . . 414 THR HA . 51175 1 19 3JHNHA . 1 1 30 30 GLY HN H 1 . . 1 1 30 30 GLY HA H 1 . 6.3821511 . . 0.318976720 . . . . 415 GLY HN . . 415 GLY HA . 51175 1 20 3JHNHA . 1 1 31 31 THR HN H 1 . . 1 1 31 31 THR HA H 1 . 6.5791673 . . 0.328823492 . . . . 416 THR HN . . 416 THR HA . 51175 1 21 3JHNHA . 1 1 33 33 SER HN H 1 . . 1 1 33 33 SER HA H 1 . 5.9063450 . . 0.295196170 . . . . 418 SER HN . . 418 SER HA . 51175 1 22 3JHNHA . 1 1 35 35 GLY HN H 1 . . 1 1 35 35 GLY HA H 1 . 6.1177989 . . 0.305764530 . . . . 420 GLY HN . . 420 GLY HA . 51175 1 23 3JHNHA . 1 1 37 37 ARG HN H 1 . . 1 1 37 37 ARG HA H 1 . 5.9700981 . . 0.298382517 . . . . 422 ARG HN . . 422 ARG HA . 51175 1 24 3JHNHA . 1 1 38 38 GLY HN H 1 . . 1 1 38 38 GLY HA H 1 . 6.3130508 . . 0.315523123 . . . . 423 GLY HN . . 423 GLY HA . 51175 1 25 3JHNHA . 1 1 39 39 ASN HN H 1 . . 1 1 39 39 ASN HA H 1 . 6.4302385 . . 0.321380103 . . . . 424 ASN HN . . 424 ASN HA . 51175 1 26 3JHNHA . 1 1 41 41 GLY HN H 1 . . 1 1 41 41 GLY HA H 1 . 7.0177477 . . 0.350743518 . . . . 426 GLY HN . . 426 GLY HA . 51175 1 27 3JHNHA . 1 1 42 42 ALA HN H 1 . . 1 1 42 42 ALA HA H 1 . 5.0507303 . . 0.252432974 . . . . 427 ALA HN . . 427 ALA HA . 51175 1 28 3JHNHA . 1 1 43 43 GLU HN H 1 . . 1 1 43 43 GLU HA H 1 . 6.0215721 . . 0.300955161 . . . . 428 GLU HN . . 428 GLU HA . 51175 1 29 3JHNHA . 1 1 46 46 GLY HN H 1 . . 1 1 46 46 GLY HA H 1 . 7.4000231 . . 0.369849455 . . . . 431 GLY HN . . 431 GLY HA . 51175 1 30 3JHNHA . 1 1 47 47 MET HN H 1 . . 1 1 47 47 MET HA H 1 . 6.4256424 . . 0.321150394 . . . . 432 MET HN . . 432 MET HA . 51175 1 31 3JHNHA . 1 1 49 49 TRP HN H 1 . . 1 1 49 49 TRP HA H 1 . 5.6921353 . . 0.284490076 . . . . 434 TRP HN . . 434 TRP HA . 51175 1 32 3JHNHA . 1 1 51 51 CYS HN H 1 . . 1 1 51 51 CYS HA H 1 . 5.6781518 . . 0.283791185 . . . . 436 CYS HN . . 436 CYS HA . 51175 1 33 3JHNHA . 1 1 52 52 ARG HN H 1 . . 1 1 52 52 ARG HA H 1 . 6.4513794 . . 0.322436715 . . . . 437 ARG HN . . 437 ARG HA . 51175 1 34 3JHNHA . 1 1 53 53 THR HN H 1 . . 1 1 53 53 THR HA H 1 . 7.2184722 . . 0.360775629 . . . . 438 THR HN . . 438 THR HA . 51175 1 35 3JHNHA . 1 1 55 55 GLU HN H 1 . . 1 1 55 55 GLU HA H 1 . 7.0893501 . . 0.354322170 . . . . 440 GLU HN . . 440 GLU HA . 51175 1 36 3JHNHA . 1 1 57 57 ASN HN H 1 . . 1 1 57 57 ASN HA H 1 . 6.6724662 . . 0.333486524 . . . . 442 ASN HN . . 442 ASN HA . 51175 1 37 3JHNHA . 1 1 60 60 THR HN H 1 . . 1 1 60 60 THR HA H 1 . 6.2290935 . . 0.311326977 . . . . 445 THR HN . . 445 THR HA . 51175 1 38 3JHNHA . 1 1 61 61 GLY HN H 1 . . 1 1 61 61 GLY HA H 1 . 6.3130370 . . 0.315522429 . . . . 446 GLY HN . . 446 GLY HA . 51175 1 39 3JHNHA . 1 1 62 62 ARG HN H 1 . . 1 1 62 62 ARG HA H 1 . 6.4142401 . . 0.320580514 . . . . 447 ARG HN . . 447 ARG HA . 51175 1 40 3JHNHA . 1 1 64 64 LEU HN H 1 . . 1 1 64 64 LEU HA H 1 . 6.1644545 . . 0.308096355 . . . . 449 LEU HN . . 449 LEU HA . 51175 1 41 3JHNHA . 1 1 65 65 VAL HN H 1 . . 1 1 65 65 VAL HA H 1 . 7.4345845 . . 0.371576813 . . . . 450 VAL HN . . 450 VAL HA . 51175 1 42 3JHNHA . 1 1 66 66 ASN HN H 1 . . 1 1 66 66 ASN HA H 1 . 7.2095166 . . 0.360328035 . . . . 451 ASN HN . . 451 ASN HA . 51175 1 43 3JHNHA . 1 1 67 67 ILE HN H 1 . . 1 1 67 67 ILE HA H 1 . 6.5364202 . . 0.326687012 . . . . 452 ILE HN . . 452 ILE HA . 51175 1 44 3JHNHA . 1 1 68 68 TYR HN H 1 . . 1 1 68 68 TYR HA H 1 . 7.3365540 . . 0.366677297 . . . . 453 TYR HN . . 453 TYR HA . 51175 1 45 3JHNHA . 1 1 73 73 VAL HN H 1 . . 1 1 73 73 VAL HA H 1 . 6.0402201 . . 0.301887181 . . . . 458 VAL HN . . 458 VAL HA . 51175 1 46 3JHNHA . 1 1 74 74 GLN HN H 1 . . 1 1 74 74 GLN HA H 1 . 6.4325568 . . 0.321495969 . . . . 459 GLN HN . . 459 GLN HA . 51175 1 47 3JHNHA . 1 1 76 76 GLY HN H 1 . . 1 1 76 76 GLY HA H 1 . 7.0858686 . . 0.354148168 . . . . 461 GLY HN . . 461 GLY HA . 51175 1 48 3JHNHA . 1 1 77 77 ASP HN H 1 . . 1 1 77 77 ASP HA H 1 . 6.3030338 . . 0.315022475 . . . . 462 ASP HN . . 462 ASP HA . 51175 1 49 3JHNHA . 1 1 78 78 ASN HN H 1 . . 1 1 78 78 ASN HA H 1 . 6.8582469 . . 0.342771749 . . . . 463 ASN HN . . 463 ASN HA . 51175 1 50 3JHNHA . 1 1 79 79 ASN HN H 1 . . 1 1 79 79 ASN HA H 1 . 6.4385760 . . 0.321796808 . . . . 464 ASN HN . . 464 ASN HA . 51175 1 51 3JHNHA . 1 1 80 80 TYR HN H 1 . . 1 1 80 80 TYR HA H 1 . 6.2164170 . . 0.310693412 . . . . 465 TYR HN . . 465 TYR HA . 51175 1 52 3JHNHA . 1 1 81 81 LEU HN H 1 . . 1 1 81 81 LEU HA H 1 . 6.2051259 . . 0.310129087 . . . . 466 LEU HN . . 466 LEU HA . 51175 1 53 3JHNHA . 1 1 82 82 THR HN H 1 . . 1 1 82 82 THR HA H 1 . 6.6661604 . . 0.333171362 . . . . 467 THR HN . . 467 THR HA . 51175 1 54 3JHNHA . 1 1 83 83 MET HN H 1 . . 1 1 83 83 MET HA H 1 . 7.1170294 . . 0.355705570 . . . . 468 MET HN . . 468 MET HA . 51175 1 55 3JHNHA . 1 1 88 88 ALA HN H 1 . . 1 1 88 88 ALA HA H 1 . 6.0633604 . . 0.303043718 . . . . 473 ALA HN . . 473 ALA HA . 51175 1 56 3JHNHA . 1 1 89 89 LEU HN H 1 . . 1 1 89 89 LEU HA H 1 . 6.2048807 . . 0.310116834 . . . . 474 LEU HN . . 474 LEU HA . 51175 1 57 3JHNHA . 1 1 91 91 THR HN H 1 . . 1 1 91 91 THR HA H 1 . 6.9934515 . . 0.349529208 . . . . 476 THR HN . . 476 THR HA . 51175 1 58 3JHNHA . 1 1 92 92 TRP HN H 1 . . 1 1 92 92 TRP HA H 1 . 6.1132901 . . 0.305539182 . . . . 477 TRP HN . . 477 TRP HA . 51175 1 59 3JHNHA . 1 1 93 93 GLY HN H 1 . . 1 1 93 93 GLY HA H 1 . 6.8425288 . . 0.341986168 . . . . 478 GLY HN . . 478 GLY HA . 51175 1 60 3JHNHA . 1 1 94 94 LEU HN H 1 . . 1 1 94 94 LEU HA H 1 . 6.4368884 . . 0.321712461 . . . . 479 LEU HN . . 479 LEU HA . 51175 1 61 3JHNHA . 1 1 95 95 ALA HN H 1 . . 1 1 95 95 ALA HA H 1 . 5.6388853 . . 0.281828665 . . . . 480 ALA HN . . 480 ALA HA . 51175 1 62 3JHNHA . 1 1 97 97 SER HN H 1 . . 1 1 97 97 SER HA H 1 . 6.5832042 . . 0.329025255 . . . . 482 SER HN . . 482 SER HA . 51175 1 63 3JHNHA . 1 1 98 98 GLY HN H 1 . . 1 1 98 98 GLY HA H 1 . 6.4131280 . . 0.320524928 . . . . 483 GLY HN . . 483 GLY HA . 51175 1 64 3JHNHA . 1 1 99 99 LYS HN H 1 . . 1 1 99 99 LYS HA H 1 . 6.0396032 . . 0.301856348 . . . . 484 LYS HN . . 484 LYS HA . 51175 1 65 3JHNHA . 1 1 100 100 GLY HN H 1 . . 1 1 100 100 GLY HA H 1 . 6.7046640 . . 0.335095752 . . . . 485 GLY HN . . 485 GLY HA . 51175 1 66 3JHNHA . 1 1 101 101 ARG HN H 1 . . 1 1 101 101 ARG HA H 1 . 6.1391533 . . 0.306831813 . . . . 486 ARG HN . . 486 ARG HA . 51175 1 67 3JHNHA . 1 1 105 105 HIS HN H 1 . . 1 1 105 105 HIS HA H 1 . 7.1740395 . . 0.358554905 . . . . 490 HIS HN . . 490 HIS HA . 51175 1 68 3JHNHA . 1 1 110 110 GLY HN H 1 . . 1 1 110 110 GLY HA H 1 . 7.0513434 . . 0.352422618 . . . . 495 GLY HN . . 495 GLY HA . 51175 1 69 3JHNHA . 1 1 111 111 SER HN H 1 . . 1 1 111 111 SER HA H 1 . 5.8538279 . . 0.292571388 . . . . 496 SER HN . . 496 SER HA . 51175 1 70 3JHNHA . 1 1 112 112 GLN HN H 1 . . 1 1 112 112 GLN HA H 1 . 6.6414015 . . 0.331933925 . . . . 497 GLN HN . . 497 GLN HA . 51175 1 71 3JHNHA . 1 1 116 116 LYS HN H 1 . . 1 1 116 116 LYS HA H 1 . 6.3977049 . . 0.319754090 . . . . 501 LYS HN . . 501 LYS HA . 51175 1 72 3JHNHA . 1 1 117 117 ASP HN H 1 . . 1 1 117 117 ASP HA H 1 . 6.2915846 . . 0.314450252 . . . . 502 ASP HN . . 502 ASP HA . 51175 1 73 3JHNHA . 1 1 119 119 GLU HN H 1 . . 1 1 119 119 GLU HA H 1 . 5.6446337 . . 0.282115969 . . . . 504 GLU HN . . 504 GLU HA . 51175 1 74 3JHNHA . 1 1 121 121 TRP HN H 1 . . 1 1 121 121 TRP HA H 1 . 6.2237611 . . 0.311060465 . . . . 506 TRP HN . . 506 TRP HA . 51175 1 75 3JHNHA . 1 1 122 122 SER HN H 1 . . 1 1 122 122 SER HA H 1 . 6.8968953 . . 0.344703375 . . . . 507 SER HN . . 507 SER HA . 51175 1 76 3JHNHA . 1 1 123 123 ARG HN H 1 . . 1 1 123 123 ARG HA H 1 . 6.4681601 . . 0.323275405 . . . . 508 ARG HN . . 508 ARG HA . 51175 1 77 3JHNHA . 1 1 126 126 GLY HN H 1 . . 1 1 126 126 GLY HA H 1 . 5.8383669 . . 0.291798657 . . . . 511 GLY HN . . 511 GLY HA . 51175 1 78 3JHNHA . 1 1 127 127 TRP HN H 1 . . 1 1 127 127 TRP HA H 1 . 6.0580730 . . 0.302779460 . . . . 512 TRP HN . . 512 TRP HA . 51175 1 79 3JHNHA . 1 1 128 128 TYR HN H 1 . . 1 1 128 128 TYR HA H 1 . 6.9274205 . . 0.346229010 . . . . 513 TYR HN . . 513 TYR HA . 51175 1 80 3JHNHA . 1 1 129 129 ASN HN H 1 . . 1 1 129 129 ASN HA H 1 . 7.8338243 . . 0.391530618 . . . . 514 ASN HN . . 514 ASN HA . 51175 1 81 3JHNHA . 1 1 130 130 HIS HN H 1 . . 1 1 130 130 HIS HA H 1 . 7.2247595 . . 0.361089864 . . . . 515 HIS HN . . 515 HIS HA . 51175 1 82 3JHNHA . 1 1 131 131 SER HN H 1 . . 1 1 131 131 SER HA H 1 . 6.4656705 . . 0.323150979 . . . . 516 SER HN . . 516 SER HA . 51175 1 83 3JHNHA . 1 1 132 132 GLY HN H 1 . . 1 1 132 132 GLY HA H 1 . 6.7253626 . . 0.336130260 . . . . 517 GLY HN . . 517 GLY HA . 51175 1 84 3JHNHA . 1 1 133 133 LYS HN H 1 . . 1 1 133 133 LYS HA H 1 . 7.1229935 . . 0.356003654 . . . . 518 LYS HN . . 518 LYS HA . 51175 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_RIPK3_388_518_R1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode RIPK3_388_518_R1 _Heteronucl_T1_list.Entry_ID 51175 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _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-1 _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 11 'HSQC T1 etf 3gpsi' . . . 51175 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 2 2 SER N N 15 0.78134170 0.37451110 . . 387 SER N 51175 1 2 . 1 1 3 3 SER N N 15 0.99125576 0.49272190 . . 388 SER N 51175 1 3 . 1 1 4 4 SER N N 15 1.25529367 0.28560181 . . 389 SER N 51175 1 4 . 1 1 5 5 ASP N N 15 1.14591428 0.24786083 . . 390 ASP N 51175 1 5 . 1 1 6 6 SER N N 15 1.37812412 0.21011986 . . 391 SER N 51175 1 6 . 1 1 7 7 MET N N 15 1.15397978 0.20014428 . . 392 MET N 51175 1 7 . 1 1 8 8 ALA N N 15 1.52866326 0.27666227 . . 393 ALA N 51175 1 8 . 1 1 9 9 GLN N N 15 1.53362477 0.17395413 . . 394 GLN N 51175 1 9 . 1 1 12 12 GLN N N 15 1.57398963 0.19054468 . . 397 GLN N 51175 1 10 . 1 1 13 13 THR N N 15 1.02692528 0.26976793 . . 398 THR N 51175 1 11 . 1 1 15 15 GLU N N 15 2.01674118 0.27518062 . . 400 GLU N 51175 1 12 . 1 1 16 16 THR N N 15 1.53509001 0.20824507 . . 401 THR N 51175 1 13 . 1 1 17 17 SER N N 15 1.47718482 0.18209113 . . 402 SER N 51175 1 14 . 1 1 18 18 THR N N 15 1.69177212 0.24259976 . . 403 THR N 51175 1 15 . 1 1 19 19 PHE N N 15 1.62696332 0.16069471 . . 404 PHE N 51175 1 16 . 1 1 20 20 ARG N N 15 1.84518932 0.15746177 . . 405 ARG N 51175 1 17 . 1 1 21 21 ASN N N 15 1.41024886 0.21996898 . . 406 ASN N 51175 1 18 . 1 1 22 22 GLN N N 15 1.38198145 0.20738673 . . 407 GLN N 51175 1 19 . 1 1 23 23 MET N N 15 1.41061701 0.26901415 . . 408 MET N 51175 1 20 . 1 1 25 25 SER N N 15 1.27697600 0.22576010 . . 410 SER N 51175 1 21 . 1 1 27 27 THR N N 15 1.42700481 0.19886260 . . 412 THR N 51175 1 22 . 1 1 28 28 SER N N 15 1.27703411 0.32313615 . . 413 SER N 51175 1 23 . 1 1 29 29 THR N N 15 1.31928696 0.25553676 . . 414 THR N 51175 1 24 . 1 1 30 30 GLY N N 15 1.51675586 0.23781167 . . 415 GLY N 51175 1 25 . 1 1 31 31 THR N N 15 1.43626430 0.26807886 . . 416 THR N 51175 1 26 . 1 1 33 33 SER N N 15 1.53124877 0.17949308 . . 418 SER N 51175 1 27 . 1 1 35 35 GLY N N 15 1.61285512 0.22054009 . . 420 GLY N 51175 1 28 . 1 1 37 37 ARG N N 15 1.59060289 0.25072934 . . 422 ARG N 51175 1 29 . 1 1 38 38 GLY N N 15 1.53039054 0.21933400 . . 423 GLY N 51175 1 30 . 1 1 39 39 ASN N N 15 1.60884321 0.28575175 . . 424 ASN N 51175 1 31 . 1 1 40 40 GLN N N 15 1.54175730 0.24470670 . . 425 GLN N 51175 1 32 . 1 1 41 41 GLY N N 15 1.28326465 0.36206329 . . 426 GLY N 51175 1 33 . 1 1 42 42 ALA N N 15 1.40919126 0.32441690 . . 427 ALA N 51175 1 34 . 1 1 43 43 GLU N N 15 1.75573901 0.27737087 . . 428 GLU N 51175 1 35 . 1 1 44 44 ARG N N 15 1.48339932 0.11320478 . . 429 ARG N 51175 1 36 . 1 1 45 45 GLN N N 15 1.56943745 0.22502670 . . 430 GLN N 51175 1 37 . 1 1 46 46 GLY N N 15 1.68763694 0.17909503 . . 431 GLY N 51175 1 38 . 1 1 47 47 MET N N 15 1.69628752 0.28940409 . . 432 MET N 51175 1 39 . 1 1 48 48 ASN N N 15 1.73022791 0.23741293 . . 433 ASN N 51175 1 40 . 1 1 49 49 TRP N N 15 1.42216730 0.29666840 . . 434 TRP N 51175 1 41 . 1 1 50 50 SER N N 15 1.60000042 0.24125208 . . 435 SER N 51175 1 42 . 1 1 51 51 CYS N N 15 1.02952588 0.39673611 . . 436 CYS N 51175 1 43 . 1 1 52 52 ARG N N 15 1.39114597 0.43626167 . . 437 ARG N 51175 1 44 . 1 1 53 53 THR N N 15 1.12905021 0.33144289 . . 438 THR N 51175 1 45 . 1 1 55 55 GLU N N 15 1.57733218 0.21472030 . . 440 GLU N 51175 1 46 . 1 1 57 57 ASN N N 15 1.95617463 0.19595724 . . 442 ASN N 51175 1 47 . 1 1 59 59 VAL N N 15 1.57758553 0.20722586 . . 444 VAL N 51175 1 48 . 1 1 60 60 THR N N 15 1.90358606 0.18845546 . . 445 THR N 51175 1 49 . 1 1 61 61 GLY N N 15 1.55425529 0.12628807 . . 446 GLY N 51175 1 50 . 1 1 62 62 ARG N N 15 1.70073683 0.15259823 . . 447 ARG N 51175 1 51 . 1 1 64 64 LEU N N 15 1.76257161 0.28664378 . . 449 LEU N 51175 1 52 . 1 1 65 65 VAL N N 15 1.32112950 0.32060542 . . 450 VAL N 51175 1 53 . 1 1 66 66 ASN N N 15 1.79541596 0.26994148 . . 451 ASN N 51175 1 54 . 1 1 67 67 ILE N N 15 1.42914451 0.23095616 . . 452 ILE N 51175 1 55 . 1 1 68 68 TYR N N 15 1.48939434 0.24915296 . . 453 TYR N 51175 1 56 . 1 1 69 69 ASN N N 15 1.60965094 0.21054864 . . 454 ASN N 51175 1 57 . 1 1 70 70 CYS N N 15 1.47615605 0.20443075 . . 455 CYS N 51175 1 58 . 1 1 71 71 SER N N 15 1.49470782 0.33422547 . . 456 SER N 51175 1 59 . 1 1 72 72 GLY N N 15 1.64497356 0.24271783 . . 457 GLY N 51175 1 60 . 1 1 73 73 VAL N N 15 1.27485540 0.29675806 . . 458 VAL N 51175 1 61 . 1 1 74 74 GLN N N 15 1.62195853 0.24276185 . . 459 GLN N 51175 1 62 . 1 1 75 75 VAL N N 15 1.40458359 0.27624626 . . 460 VAL N 51175 1 63 . 1 1 76 76 GLY N N 15 1.73339575 0.22464840 . . 461 GLY N 51175 1 64 . 1 1 77 77 ASP N N 15 1.61981076 0.13880130 . . 462 ASP N 51175 1 65 . 1 1 78 78 ASN N N 15 1.65152165 0.19604007 . . 463 ASN N 51175 1 66 . 1 1 79 79 ASN N N 15 1.64840554 0.17498661 . . 464 ASN N 51175 1 67 . 1 1 80 80 TYR N N 15 1.72823324 0.21213231 . . 465 TYR N 51175 1 68 . 1 1 81 81 LEU N N 15 1.50907003 0.33295510 . . 466 LEU N 51175 1 69 . 1 1 82 82 THR N N 15 2.01195568 0.29290873 . . 467 THR N 51175 1 70 . 1 1 83 83 MET N N 15 1.74601085 0.25557216 . . 468 MET N 51175 1 71 . 1 1 84 84 GLN N N 15 1.50327031 0.19234450 . . 469 GLN N 51175 1 72 . 1 1 85 85 GLN N N 15 1.68780164 0.12911685 . . 470 GLN N 51175 1 73 . 1 1 86 86 THR N N 15 1.49348648 0.20163685 . . 471 THR N 51175 1 74 . 1 1 87 87 THR N N 15 1.73224931 0.20232749 . . 472 THR N 51175 1 75 . 1 1 88 88 ALA N N 15 1.50314400 0.31277513 . . 473 ALA N 51175 1 76 . 1 1 89 89 LEU N N 15 1.62381518 0.24267489 . . 474 LEU N 51175 1 77 . 1 1 91 91 THR N N 15 1.62859542 0.27228099 . . 476 THR N 51175 1 78 . 1 1 92 92 TRP N N 15 1.72501681 0.22102423 . . 477 TRP N 51175 1 79 . 1 1 93 93 GLY N N 15 1.57310475 0.14840756 . . 478 GLY N 51175 1 80 . 1 1 94 94 LEU N N 15 1.74249468 0.16430320 . . 479 LEU N 51175 1 81 . 1 1 95 95 ALA N N 15 1.44816999 0.30218307 . . 480 ALA N 51175 1 82 . 1 1 97 97 SER N N 15 1.53042472 0.34253398 . . 482 SER N 51175 1 83 . 1 1 98 98 GLY N N 15 1.41674393 0.33703388 . . 483 GLY N 51175 1 84 . 1 1 99 99 LYS N N 15 1.59174544 0.18703895 . . 484 LYS N 51175 1 85 . 1 1 100 100 GLY N N 15 1.53215755 0.20655227 . . 485 GLY N 51175 1 86 . 1 1 101 101 ARG N N 15 1.38523329 0.18180812 . . 486 ARG N 51175 1 87 . 1 1 102 102 GLY N N 15 1.50943572 0.13091403 . . 487 GLY N 51175 1 88 . 1 1 103 103 LEU N N 15 1.50501707 0.25367806 . . 488 LEU N 51175 1 89 . 1 1 104 104 GLN N N 15 1.58220967 0.15146295 . . 489 GLN N 51175 1 90 . 1 1 105 105 HIS N N 15 1.66272103 0.25043732 . . 490 HIS N 51175 1 91 . 1 1 109 109 VAL N N 15 1.47372363 0.18219466 . . 494 VAL N 51175 1 92 . 1 1 110 110 GLY N N 15 1.62944273 0.26008812 . . 495 GLY N 51175 1 93 . 1 1 111 111 SER N N 15 1.50880090 0.20338150 . . 496 SER N 51175 1 94 . 1 1 112 112 GLN N N 15 1.56098636 0.20773014 . . 497 GLN N 51175 1 95 . 1 1 113 113 GLU N N 15 1.61469011 0.22039277 . . 498 GLU N 51175 1 96 . 1 1 114 114 GLY N N 15 1.39597899 0.26077929 . . 499 GLY N 51175 1 97 . 1 1 115 115 PRO N N 15 1.81146448 0.22563269 . . 501 PRO N 51175 1 98 . 1 1 116 116 LYS N N 15 1.48075411 0.22099467 . . 502 LYS N 51175 1 99 . 1 1 119 119 GLU N N 15 1.64812299 0.19048610 . . 504 GLU N 51175 1 100 . 1 1 120 120 ALA N N 15 1.42001215 0.24686523 . . 505 ALA N 51175 1 101 . 1 1 121 121 TRP N N 15 1.93683074 0.11964817 . . 506 TRP N 51175 1 102 . 1 1 122 122 SER N N 15 1.61597220 0.24266305 . . 507 SER N 51175 1 103 . 1 1 123 123 ARG N N 15 1.45944020 0.32001279 . . 508 ARG N 51175 1 104 . 1 1 125 125 GLN N N 15 1.76404486 0.27284712 . . 510 GLN N 51175 1 105 . 1 1 126 126 GLY N N 15 1.66967661 0.28799690 . . 511 GLY N 51175 1 106 . 1 1 127 127 TRP N N 15 1.85346222 0.18742613 . . 512 TRP N 51175 1 107 . 1 1 128 128 TYR N N 15 2.02079772 0.20516984 . . 513 TYR N 51175 1 108 . 1 1 129 129 ASN N N 15 1.74426422 0.22421153 . . 514 ASN N 51175 1 109 . 1 1 130 130 HIS N N 15 1.85685605 0.21159533 . . 515 HIS N 51175 1 110 . 1 1 131 131 SER N N 15 1.40901301 0.21552038 . . 516 SER N 51175 1 111 . 1 1 132 132 GLY N N 15 1.26897918 0.28586567 . . 517 GLY N 51175 1 112 . 1 1 133 133 LYS N N 15 1.10462380 0.26396575 . . 518 LYS N 51175 1 stop_ save_ ########################################### # Heteronuclear T1rho relaxation values # ########################################### save_RIPK3_388_518_R1rho _Heteronucl_T1rho_list.Sf_category heteronucl_T1rho_relaxation _Heteronucl_T1rho_list.Sf_framecode RIPK3_388_518_R1rho _Heteronucl_T1rho_list.Entry_ID 51175 _Heteronucl_T1rho_list.ID 1 _Heteronucl_T1rho_list.Name . _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 . _Heteronucl_T1rho_list.Temp_control_method . _Heteronucl_T1rho_list.T1rho_coherence_type na _Heteronucl_T1rho_list.T1rho_val_units s-1 _Heteronucl_T1rho_list.Rex_units . _Heteronucl_T1rho_list.Details . _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 12 'HSQC T ref 3gpsi' . . . 51175 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 2 2 SER N N 15 1.262517180 0.54486465 . . . . 387 SER N 51175 1 2 . 1 1 3 3 SER N N 15 1.517151179 0.56048913 . . . . 388 SER N 51175 1 3 . 1 1 4 4 SER N N 15 1.413611354 0.30939478 . . . . 389 SER N 51175 1 4 . 1 1 5 5 ASP N N 15 1.515439537 0.27315091 . . . . 390 ASP N 51175 1 5 . 1 1 6 6 SER N N 15 1.484932238 0.23690705 . . . . 391 SER N 51175 1 6 . 1 1 7 7 MET N N 15 2.385576403 0.17258386 . . . . 392 MET N 51175 1 7 . 1 1 8 8 ALA N N 15 1.606551888 0.32095471 . . . . 393 ALA N 51175 1 8 . 1 1 9 9 GLN N N 15 1.803127738 0.27697226 . . . . 394 GLN N 51175 1 9 . 1 1 12 12 GLN N N 15 1.995024196 0.29655348 . . . . 397 GLN N 51175 1 10 . 1 1 13 13 THR N N 15 2.359625026 0.31613470 . . . . 398 THR N 51175 1 11 . 1 1 15 15 GLU N N 15 2.139102184 0.46804541 . . . . 400 GLU N 51175 1 12 . 1 1 16 16 THR N N 15 2.360079409 0.51194406 . . . . 401 THR N 51175 1 13 . 1 1 17 17 SER N N 15 2.924124753 0.29427281 . . . . 402 SER N 51175 1 14 . 1 1 18 18 THR N N 15 2.759314505 0.18043614 . . . . 403 THR N 51175 1 15 . 1 1 19 19 PHE N N 15 2.766654949 0.19161612 . . . . 404 PHE N 51175 1 16 . 1 1 20 20 ARG N N 15 2.617516404 0.15564632 . . . . 405 ARG N 51175 1 17 . 1 1 21 21 ASN N N 15 2.112866275 0.24713088 . . . . 406 ASN N 51175 1 18 . 1 1 22 22 GLN N N 15 2.256689897 0.43404137 . . . . 407 GLN N 51175 1 19 . 1 1 23 23 MET N N 15 2.325073426 0.35766531 . . . . 408 MET N 51175 1 20 . 1 1 25 25 SER N N 15 2.053016300 0.37269318 . . . . 410 SER N 51175 1 21 . 1 1 27 27 THR N N 15 2.019111454 0.66690619 . . . . 412 THR N 51175 1 22 . 1 1 28 28 SER N N 15 2.193579323 0.29239060 . . . . 413 SER N 51175 1 23 . 1 1 29 29 THR N N 15 1.988647686 0.40182100 . . . . 414 THR N 51175 1 24 . 1 1 30 30 GLY N N 15 2.085013417 0.18268670 . . . . 415 GLY N 51175 1 25 . 1 1 31 31 THR N N 15 1.493336914 0.37637633 . . . . 416 THR N 51175 1 26 . 1 1 33 33 SER N N 15 2.220923636 0.25294465 . . . . 418 SER N 51175 1 27 . 1 1 35 35 GLY N N 15 2.020875990 0.20101826 . . . . 420 GLY N 51175 1 28 . 1 1 37 37 ARG N N 15 2.107689825 0.27277503 . . . . 422 ARG N 51175 1 29 . 1 1 38 38 GLY N N 15 2.213586186 0.24742919 . . . . 423 GLY N 51175 1 30 . 1 1 39 39 ASN N N 15 2.009058935 0.41841208 . . . . 424 ASN N 51175 1 31 . 1 1 40 40 GLN N N 15 2.147849007 0.29373725 . . . . 425 GLN N 51175 1 32 . 1 1 41 41 GLY N N 15 2.206897803 0.16447042 . . . . 426 GLY N 51175 1 33 . 1 1 42 42 ALA N N 15 1.994999916 0.25586473 . . . . 427 ALA N 51175 1 34 . 1 1 43 43 GLU N N 15 1.904984437 0.37239872 . . . . 428 GLU N 51175 1 35 . 1 1 44 44 ARG N N 15 3.051845857 0.15646754 . . . . 429 ARG N 51175 1 36 . 1 1 45 45 GLN N N 15 3.060174759 0.31003526 . . . . 430 GLN N 51175 1 37 . 1 1 46 46 GLY N N 15 2.004225637 0.30393560 . . . . 431 GLY N 51175 1 38 . 1 1 47 47 MET N N 15 1.801487025 0.48326934 . . . . 432 MET N 51175 1 39 . 1 1 48 48 ASN N N 15 1.905534706 0.24440964 . . . . 433 ASN N 51175 1 40 . 1 1 49 49 TRP N N 15 3.088285854 0.22273542 . . . . 434 TRP N 51175 1 41 . 1 1 50 50 SER N N 15 2.833260720 0.33276159 . . . . 435 SER N 51175 1 42 . 1 1 51 51 CYS N N 15 4.091921792 0.26664973 . . . . 436 CYS N 51175 1 43 . 1 1 52 52 ARG N N 15 2.628047070 0.28643588 . . . . 437 ARG N 51175 1 44 . 1 1 53 53 THR N N 15 3.397583023 0.25925574 . . . . 438 THR N 51175 1 45 . 1 1 55 55 GLU N N 15 3.165959575 0.31311377 . . . . 440 GLU N 51175 1 46 . 1 1 57 57 ASN N N 15 3.386553039 0.25980650 . . . . 442 ASN N 51175 1 47 . 1 1 59 59 VAL N N 15 2.784599499 0.28013315 . . . . 444 VAL N 51175 1 48 . 1 1 60 60 THR N N 15 3.242862347 0.25895453 . . . . 445 THR N 51175 1 49 . 1 1 61 61 GLY N N 15 2.618108545 0.12327795 . . . . 446 GLY N 51175 1 50 . 1 1 62 62 ARG N N 15 2.971719947 0.27159803 . . . . 447 ARG N 51175 1 51 . 1 1 64 64 LEU N N 15 2.797010434 0.26485669 . . . . 449 LEU N 51175 1 52 . 1 1 65 65 VAL N N 15 2.698954059 0.21559226 . . . . 450 VAL N 51175 1 53 . 1 1 66 66 ASN N N 15 3.212327101 0.27014777 . . . . 451 ASN N 51175 1 54 . 1 1 67 67 ILE N N 15 2.671415172 0.50425995 . . . . 452 ILE N 51175 1 55 . 1 1 68 68 TYR N N 15 3.294220851 0.19211287 . . . . 453 TYR N 51175 1 56 . 1 1 69 69 ASN N N 15 2.701405042 0.31772248 . . . . 454 ASN N 51175 1 57 . 1 1 70 70 CYS N N 15 2.528956378 0.16375488 . . . . 455 CYS N 51175 1 58 . 1 1 71 71 SER N N 15 2.945682492 0.61945885 . . . . 456 SER N 51175 1 59 . 1 1 72 72 GLY N N 15 2.884325582 0.27106972 . . . . 457 GLY N 51175 1 60 . 1 1 73 73 VAL N N 15 2.157142489 0.13923457 . . . . 458 VAL N 51175 1 61 . 1 1 74 74 GLN N N 15 2.413540674 0.11646209 . . . . 459 GLN N 51175 1 62 . 1 1 75 75 VAL N N 15 3.683095541 0.12808543 . . . . 460 VAL N 51175 1 63 . 1 1 76 76 GLY N N 15 2.138818421 0.14368815 . . . . 461 GLY N 51175 1 64 . 1 1 77 77 ASP N N 15 3.358842077 0.30680454 . . . . 462 ASP N 51175 1 65 . 1 1 78 78 ASN N N 15 2.710047505 0.19520313 . . . . 463 ASN N 51175 1 66 . 1 1 79 79 ASN N N 15 2.918785766 0.19007836 . . . . 464 ASN N 51175 1 67 . 1 1 80 80 TYR N N 15 2.956975130 0.37787183 . . . . 465 TYR N 51175 1 68 . 1 1 81 81 LEU N N 15 3.812812633 0.13813683 . . . . 466 LEU N 51175 1 69 . 1 1 82 82 THR N N 15 3.257859302 0.54401072 . . . . 467 THR N 51175 1 70 . 1 1 83 83 MET N N 15 3.805687823 0.17284157 . . . . 468 MET N 51175 1 71 . 1 1 84 84 GLN N N 15 2.668070087 0.26825318 . . . . 469 GLN N 51175 1 72 . 1 1 85 85 GLN N N 15 3.516710251 0.36366480 . . . . 470 GLN N 51175 1 73 . 1 1 86 86 THR N N 15 2.440228665 0.21148920 . . . . 471 THR N 51175 1 74 . 1 1 87 87 THR N N 15 2.777811692 0.20037253 . . . . 472 THR N 51175 1 75 . 1 1 88 88 ALA N N 15 2.175001743 1.01181010 . . . . 473 ALA N 51175 1 76 . 1 1 89 89 LEU N N 15 2.517980899 0.37235749 . . . . 474 LEU N 51175 1 77 . 1 1 91 91 THR N N 15 3.004509203 0.22699387 . . . . 476 THR N 51175 1 78 . 1 1 92 92 TRP N N 15 3.397311469 0.10153437 . . . . 477 TRP N 51175 1 79 . 1 1 93 93 GLY N N 15 2.979089500 0.25778913 . . . . 478 GLY N 51175 1 80 . 1 1 94 94 LEU N N 15 3.053659215 0.26639216 . . . . 479 LEU N 51175 1 81 . 1 1 95 95 ALA N N 15 2.257837065 0.31767587 . . . . 480 ALA N 51175 1 82 . 1 1 97 97 SER N N 15 2.160636925 0.26537865 . . . . 482 SER N 51175 1 83 . 1 1 98 98 GLY N N 15 1.803117011 0.27980958 . . . . 483 GLY N 51175 1 84 . 1 1 99 99 LYS N N 15 2.297199859 0.22583957 . . . . 484 LYS N 51175 1 85 . 1 1 100 100 GLY N N 15 1.894025708 0.24356190 . . . . 485 GLY N 51175 1 86 . 1 1 101 101 ARG N N 15 2.548297693 0.26191682 . . . . 486 ARG N 51175 1 87 . 1 1 102 102 GLY N N 15 2.228340528 0.19682842 . . . . 487 GLY N 51175 1 88 . 1 1 103 103 LEU N N 15 2.074124587 0.22815451 . . . . 488 LEU N 51175 1 89 . 1 1 104 104 GLN N N 15 2.435315522 0.14628569 . . . . 489 GLN N 51175 1 90 . 1 1 105 105 HIS N N 15 3.131028100 0.24012271 . . . . 490 HIS N 51175 1 91 . 1 1 109 109 VAL N N 15 2.691022065 0.20106072 . . . . 494 VAL N 51175 1 92 . 1 1 110 110 GLY N N 15 1.701906133 0.39998528 . . . . 495 GLY N 51175 1 93 . 1 1 111 111 SER N N 15 2.294584163 0.39019738 . . . . 496 SER N 51175 1 94 . 1 1 112 112 GLN N N 15 2.098686526 0.27779278 . . . . 497 GLN N 51175 1 95 . 1 1 113 113 GLU N N 15 2.082507419 0.36990347 . . . . 498 GLU N 51175 1 96 . 1 1 114 114 GLY N N 15 1.914452844 0.50451881 . . . . 499 GLY N 51175 1 97 . 1 1 116 116 LYS N N 15 2.443308164 0.34895097 . . . . 501 LYS N 51175 1 98 . 1 1 117 117 ASP N N 15 1.870067632 0.25265472 . . . . 502 ASP N 51175 1 99 . 1 1 119 119 GLU N N 15 3.385995253 0.19338314 . . . . 504 GLU N 51175 1 100 . 1 1 120 120 ALA N N 15 3.287031699 0.21563005 . . . . 505 ALA N 51175 1 101 . 1 1 121 121 TRP N N 15 2.298577107 0.26362276 . . . . 506 TRP N 51175 1 102 . 1 1 122 122 SER N N 15 3.285804601 0.38519214 . . . . 507 SER N 51175 1 103 . 1 1 123 123 ARG N N 15 2.626065521 0.25596004 . . . . 508 ARG N 51175 1 104 . 1 1 125 125 GLN N N 15 3.068802713 0.27771421 . . . . 510 GLN N 51175 1 105 . 1 1 126 126 GLY N N 15 2.341508219 0.18273359 . . . . 511 GLY N 51175 1 106 . 1 1 127 127 TRP N N 15 2.819241856 0.12863649 . . . . 512 TRP N 51175 1 107 . 1 1 128 128 TYR N N 15 3.174002081 0.19174496 . . . . 513 TYR N 51175 1 108 . 1 1 129 129 ASN N N 15 2.797510133 0.27842304 . . . . 514 ASN N 51175 1 109 . 1 1 130 130 HIS N N 15 2.293745314 0.19241171 . . . . 515 HIS N 51175 1 110 . 1 1 131 131 SER N N 15 1.997596946 0.35135899 . . . . 516 SER N 51175 1 111 . 1 1 132 132 GLY N N 15 1.271340982 0.73620005 . . . . 517 GLY N 51175 1 112 . 1 1 133 133 LYS N N 15 1.408732826 0.42151327 . . . . 518 LYS N 51175 1 stop_ save_