data_53939 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53939 _Entry.Title ; Backbone and aliphatic carbon resonance assignments of the human synaptopodin actin-binding region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-07-27 _Entry.Accession_date 2026-07-27 _Entry.Last_release_date 2026-07-27 _Entry.Original_release_date 2026-07-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Max Pawlyta . . . 0009-0000-5402-7610 53939 2 Frans Mulder . A.A. . 0000-0001-9427-8406 53939 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53939 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 481 53939 '15N chemical shifts' 138 53939 '1H chemical shifts' 122 53939 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-08-17 . original BMRB . 53939 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53939 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignment of the actin-binding region of synaptopodin. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Max Pawlyta . . . . 53939 1 2 Frans Mulder . A.A. . . 53939 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53939 _Assembly.ID 1 _Assembly.Name SynpoABS _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 15449.30 _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 SynpoABS 1 $entity_1 . . yes native no no . . . 53939 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID actin-binding 53939 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53939 _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 ; SMFTFVEKPKVTPNPDLLDL VQTADEKRRQRDQGEVGVEE EPFALGAEASNFQQEPAPRD RASPAAAEEVVPEWASCLKS PRIQAKPKPKPNQNLSEASG KGAELYARRQSRMEKYVIES SSHTPELARCPSPTMSLPSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 379-518 of full length protein' _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 140 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8N3V7-3 . Synaptopodin . . . . . . . . . . . . . . 53939 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID actin-binding 53939 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 379 SER . 53939 1 2 380 MET . 53939 1 3 381 PHE . 53939 1 4 382 THR . 53939 1 5 383 PHE . 53939 1 6 384 VAL . 53939 1 7 385 GLU . 53939 1 8 386 LYS . 53939 1 9 387 PRO . 53939 1 10 388 LYS . 53939 1 11 389 VAL . 53939 1 12 390 THR . 53939 1 13 391 PRO . 53939 1 14 392 ASN . 53939 1 15 393 PRO . 53939 1 16 394 ASP . 53939 1 17 395 LEU . 53939 1 18 396 LEU . 53939 1 19 397 ASP . 53939 1 20 398 LEU . 53939 1 21 399 VAL . 53939 1 22 400 GLN . 53939 1 23 401 THR . 53939 1 24 402 ALA . 53939 1 25 403 ASP . 53939 1 26 404 GLU . 53939 1 27 405 LYS . 53939 1 28 406 ARG . 53939 1 29 407 ARG . 53939 1 30 408 GLN . 53939 1 31 409 ARG . 53939 1 32 410 ASP . 53939 1 33 411 GLN . 53939 1 34 412 GLY . 53939 1 35 413 GLU . 53939 1 36 414 VAL . 53939 1 37 415 GLY . 53939 1 38 416 VAL . 53939 1 39 417 GLU . 53939 1 40 418 GLU . 53939 1 41 419 GLU . 53939 1 42 420 PRO . 53939 1 43 421 PHE . 53939 1 44 422 ALA . 53939 1 45 423 LEU . 53939 1 46 424 GLY . 53939 1 47 425 ALA . 53939 1 48 426 GLU . 53939 1 49 427 ALA . 53939 1 50 428 SER . 53939 1 51 429 ASN . 53939 1 52 430 PHE . 53939 1 53 431 GLN . 53939 1 54 432 GLN . 53939 1 55 433 GLU . 53939 1 56 434 PRO . 53939 1 57 435 ALA . 53939 1 58 436 PRO . 53939 1 59 437 ARG . 53939 1 60 438 ASP . 53939 1 61 439 ARG . 53939 1 62 440 ALA . 53939 1 63 441 SER . 53939 1 64 442 PRO . 53939 1 65 443 ALA . 53939 1 66 444 ALA . 53939 1 67 445 ALA . 53939 1 68 446 GLU . 53939 1 69 447 GLU . 53939 1 70 448 VAL . 53939 1 71 449 VAL . 53939 1 72 450 PRO . 53939 1 73 451 GLU . 53939 1 74 452 TRP . 53939 1 75 453 ALA . 53939 1 76 454 SER . 53939 1 77 455 CYS . 53939 1 78 456 LEU . 53939 1 79 457 LYS . 53939 1 80 458 SER . 53939 1 81 459 PRO . 53939 1 82 460 ARG . 53939 1 83 461 ILE . 53939 1 84 462 GLN . 53939 1 85 463 ALA . 53939 1 86 464 LYS . 53939 1 87 465 PRO . 53939 1 88 466 LYS . 53939 1 89 467 PRO . 53939 1 90 468 LYS . 53939 1 91 469 PRO . 53939 1 92 470 ASN . 53939 1 93 471 GLN . 53939 1 94 472 ASN . 53939 1 95 473 LEU . 53939 1 96 474 SER . 53939 1 97 475 GLU . 53939 1 98 476 ALA . 53939 1 99 477 SER . 53939 1 100 478 GLY . 53939 1 101 479 LYS . 53939 1 102 480 GLY . 53939 1 103 481 ALA . 53939 1 104 482 GLU . 53939 1 105 483 LEU . 53939 1 106 484 TYR . 53939 1 107 485 ALA . 53939 1 108 486 ARG . 53939 1 109 487 ARG . 53939 1 110 488 GLN . 53939 1 111 489 SER . 53939 1 112 490 ARG . 53939 1 113 491 MET . 53939 1 114 492 GLU . 53939 1 115 493 LYS . 53939 1 116 494 TYR . 53939 1 117 495 VAL . 53939 1 118 496 ILE . 53939 1 119 497 GLU . 53939 1 120 498 SER . 53939 1 121 499 SER . 53939 1 122 500 SER . 53939 1 123 501 HIS . 53939 1 124 502 THR . 53939 1 125 503 PRO . 53939 1 126 504 GLU . 53939 1 127 505 LEU . 53939 1 128 506 ALA . 53939 1 129 507 ARG . 53939 1 130 508 CYS . 53939 1 131 509 PRO . 53939 1 132 510 SER . 53939 1 133 511 PRO . 53939 1 134 512 THR . 53939 1 135 513 MET . 53939 1 136 514 SER . 53939 1 137 515 LEU . 53939 1 138 516 PRO . 53939 1 139 517 SER . 53939 1 140 518 SER . 53939 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 . SER 1 1 53939 1 . MET 2 2 53939 1 . PHE 3 3 53939 1 . THR 4 4 53939 1 . PHE 5 5 53939 1 . VAL 6 6 53939 1 . GLU 7 7 53939 1 . LYS 8 8 53939 1 . PRO 9 9 53939 1 . LYS 10 10 53939 1 . VAL 11 11 53939 1 . THR 12 12 53939 1 . PRO 13 13 53939 1 . ASN 14 14 53939 1 . PRO 15 15 53939 1 . ASP 16 16 53939 1 . LEU 17 17 53939 1 . LEU 18 18 53939 1 . ASP 19 19 53939 1 . LEU 20 20 53939 1 . VAL 21 21 53939 1 . GLN 22 22 53939 1 . THR 23 23 53939 1 . ALA 24 24 53939 1 . ASP 25 25 53939 1 . GLU 26 26 53939 1 . LYS 27 27 53939 1 . ARG 28 28 53939 1 . ARG 29 29 53939 1 . GLN 30 30 53939 1 . ARG 31 31 53939 1 . ASP 32 32 53939 1 . GLN 33 33 53939 1 . GLY 34 34 53939 1 . GLU 35 35 53939 1 . VAL 36 36 53939 1 . GLY 37 37 53939 1 . VAL 38 38 53939 1 . GLU 39 39 53939 1 . GLU 40 40 53939 1 . GLU 41 41 53939 1 . PRO 42 42 53939 1 . PHE 43 43 53939 1 . ALA 44 44 53939 1 . LEU 45 45 53939 1 . GLY 46 46 53939 1 . ALA 47 47 53939 1 . GLU 48 48 53939 1 . ALA 49 49 53939 1 . SER 50 50 53939 1 . ASN 51 51 53939 1 . PHE 52 52 53939 1 . GLN 53 53 53939 1 . GLN 54 54 53939 1 . GLU 55 55 53939 1 . PRO 56 56 53939 1 . ALA 57 57 53939 1 . PRO 58 58 53939 1 . ARG 59 59 53939 1 . ASP 60 60 53939 1 . ARG 61 61 53939 1 . ALA 62 62 53939 1 . SER 63 63 53939 1 . PRO 64 64 53939 1 . ALA 65 65 53939 1 . ALA 66 66 53939 1 . ALA 67 67 53939 1 . GLU 68 68 53939 1 . GLU 69 69 53939 1 . VAL 70 70 53939 1 . VAL 71 71 53939 1 . PRO 72 72 53939 1 . GLU 73 73 53939 1 . TRP 74 74 53939 1 . ALA 75 75 53939 1 . SER 76 76 53939 1 . CYS 77 77 53939 1 . LEU 78 78 53939 1 . LYS 79 79 53939 1 . SER 80 80 53939 1 . PRO 81 81 53939 1 . ARG 82 82 53939 1 . ILE 83 83 53939 1 . GLN 84 84 53939 1 . ALA 85 85 53939 1 . LYS 86 86 53939 1 . PRO 87 87 53939 1 . LYS 88 88 53939 1 . PRO 89 89 53939 1 . LYS 90 90 53939 1 . PRO 91 91 53939 1 . ASN 92 92 53939 1 . GLN 93 93 53939 1 . ASN 94 94 53939 1 . LEU 95 95 53939 1 . SER 96 96 53939 1 . GLU 97 97 53939 1 . ALA 98 98 53939 1 . SER 99 99 53939 1 . GLY 100 100 53939 1 . LYS 101 101 53939 1 . GLY 102 102 53939 1 . ALA 103 103 53939 1 . GLU 104 104 53939 1 . LEU 105 105 53939 1 . TYR 106 106 53939 1 . ALA 107 107 53939 1 . ARG 108 108 53939 1 . ARG 109 109 53939 1 . GLN 110 110 53939 1 . SER 111 111 53939 1 . ARG 112 112 53939 1 . MET 113 113 53939 1 . GLU 114 114 53939 1 . LYS 115 115 53939 1 . TYR 116 116 53939 1 . VAL 117 117 53939 1 . ILE 118 118 53939 1 . GLU 119 119 53939 1 . SER 120 120 53939 1 . SER 121 121 53939 1 . SER 122 122 53939 1 . HIS 123 123 53939 1 . THR 124 124 53939 1 . PRO 125 125 53939 1 . GLU 126 126 53939 1 . LEU 127 127 53939 1 . ALA 128 128 53939 1 . ARG 129 129 53939 1 . CYS 130 130 53939 1 . PRO 131 131 53939 1 . SER 132 132 53939 1 . PRO 133 133 53939 1 . THR 134 134 53939 1 . MET 135 135 53939 1 . SER 136 136 53939 1 . LEU 137 137 53939 1 . PRO 138 138 53939 1 . SER 139 139 53939 1 . SER 140 140 53939 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 53939 _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 . . . . . . . . . . . . 'neuronal isoform' 53939 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 53939 _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 BL21(DE3) 'CodonPlus RIL' . plasmid . . pET-28a(+) . . '6xHis-TEV tag' 53939 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53939 _Sample.ID 1 _Sample.Name SynpoABS _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SynpoABS '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 350 300 400 uM . . . . 53939 1 2 D2O [U-2H] . . . . . . 5 . . '% v/v' . . . . 53939 1 3 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 53939 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 53939 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53939 1 6 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 53939 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 53939 _Sample_condition_list.ID 1 _Sample_condition_list.Name SynpoABS _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' 77 . mM 53939 1 pH 6.5 . pH 53939 1 pressure 1 . atm 53939 1 temperature 298.15 . K 53939 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53939 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53939 1 processing . 53939 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53939 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 2023.129.13.28 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53939 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53939 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 3.3.4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53939 3 'peak picking' . 53939 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53939 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz Bruker Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 53939 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53939 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53939 1 3 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53939 1 4 '3D (HN)CO(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53939 1 5 '3D (H)CC(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53939 1 6 '2D H(CA)CON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53939 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 53939 _Computing_platform.ID 1 _Computing_platform.Name NMRbox _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Processing of 3D data with NMRPipe in NMRbox' 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 53939 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name SynpoABS _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 0.00 na indirect 0.251449530 . . . . . 53939 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53939 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53939 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 53939 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SynpoABS _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 53939 1 3 '3D HN(CA)CO' . . . 53939 1 4 '3D (HN)CO(CO)NH' . . . 53939 1 5 '3D (H)CC(CO)NH' . . . 53939 1 6 '2D H(CA)CON' . . . 53939 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 3 $software_3 . . 53939 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 2 2 MET C C 13 175.530 0.003 . 1 . . . . . 380 MET C . 53939 1 2 . 1 . 1 2 2 MET CA C 13 55.708 0.000 . 1 . . . . . 380 MET CA . 53939 1 3 . 1 . 1 2 2 MET CB C 13 33.199 0.000 . 1 . . . . . 380 MET CB . 53939 1 4 . 1 . 1 2 2 MET CG C 13 31.755 0.000 . 1 . . . . . 380 MET CG . 53939 1 5 . 1 . 1 3 3 PHE H H 1 8.279 0.001 . 1 . . . . . 381 PHE H . 53939 1 6 . 1 . 1 3 3 PHE C C 13 175.482 0.002 . 1 . . . . . 381 PHE C . 53939 1 7 . 1 . 1 3 3 PHE CA C 13 57.653 0.000 . 1 . . . . . 381 PHE CA . 53939 1 8 . 1 . 1 3 3 PHE CB C 13 39.752 0.000 . 1 . . . . . 381 PHE CB . 53939 1 9 . 1 . 1 3 3 PHE N N 15 121.164 0.012 . 1 . . . . . 381 PHE N . 53939 1 10 . 1 . 1 4 4 THR H H 1 7.946 0.002 . 1 . . . . . 382 THR H . 53939 1 11 . 1 . 1 4 4 THR C C 13 173.476 0.004 . 1 . . . . . 382 THR C . 53939 1 12 . 1 . 1 4 4 THR CA C 13 61.494 0.000 . 1 . . . . . 382 THR CA . 53939 1 13 . 1 . 1 4 4 THR CB C 13 69.731 0.000 . 1 . . . . . 382 THR CB . 53939 1 14 . 1 . 1 4 4 THR CG2 C 13 21.265 0.000 . 1 . . . . . 382 THR CG2 . 53939 1 15 . 1 . 1 4 4 THR N N 15 116.477 0.024 . 1 . . . . . 382 THR N . 53939 1 16 . 1 . 1 5 5 PHE H H 1 8.208 0.002 . 1 . . . . . 383 PHE H . 53939 1 17 . 1 . 1 5 5 PHE C C 13 175.066 0.002 . 1 . . . . . 383 PHE C . 53939 1 18 . 1 . 1 5 5 PHE CA C 13 58.153 0.000 . 1 . . . . . 383 PHE CA . 53939 1 19 . 1 . 1 5 5 PHE CB C 13 39.768 0.000 . 1 . . . . . 383 PHE CB . 53939 1 20 . 1 . 1 5 5 PHE N N 15 123.225 0.013 . 1 . . . . . 383 PHE N . 53939 1 21 . 1 . 1 6 6 VAL H H 1 7.957 0.002 . 1 . . . . . 384 VAL H . 53939 1 22 . 1 . 1 6 6 VAL C C 13 175.263 0.001 . 1 . . . . . 384 VAL C . 53939 1 23 . 1 . 1 6 6 VAL CA C 13 61.869 0.000 . 1 . . . . . 384 VAL CA . 53939 1 24 . 1 . 1 6 6 VAL CB C 13 33.259 0.000 . 1 . . . . . 384 VAL CB . 53939 1 25 . 1 . 1 6 6 VAL CG1 C 13 21.105 0.000 . 1 . . . . . 384 VAL CG1 . 53939 1 26 . 1 . 1 6 6 VAL CG2 C 13 21.105 0.000 . 1 . . . . . 384 VAL CG2 . 53939 1 27 . 1 . 1 6 6 VAL N N 15 123.165 0.011 . 1 . . . . . 384 VAL N . 53939 1 28 . 1 . 1 7 7 GLU H H 1 8.343 0.001 . 1 . . . . . 385 GLU H . 53939 1 29 . 1 . 1 7 7 GLU C C 13 175.928 0.001 . 1 . . . . . 385 GLU C . 53939 1 30 . 1 . 1 7 7 GLU CA C 13 56.323 0.000 . 1 . . . . . 385 GLU CA . 53939 1 31 . 1 . 1 7 7 GLU CB C 13 30.549 0.000 . 1 . . . . . 385 GLU CB . 53939 1 32 . 1 . 1 7 7 GLU CG C 13 36.337 0.000 . 1 . . . . . 385 GLU CG . 53939 1 33 . 1 . 1 7 7 GLU N N 15 125.406 0.007 . 1 . . . . . 385 GLU N . 53939 1 34 . 1 . 1 8 8 LYS H H 1 8.383 0.002 . 1 . . . . . 386 LYS H . 53939 1 35 . 1 . 1 8 8 LYS C C 13 174.313 0.003 . 1 . . . . . 386 LYS C . 53939 1 36 . 1 . 1 8 8 LYS N N 15 124.441 0.006 . 1 . . . . . 386 LYS N . 53939 1 37 . 1 . 1 9 9 PRO C C 13 176.716 0.002 . 1 . . . . . 387 PRO C . 53939 1 38 . 1 . 1 9 9 PRO CA C 13 62.744 0.000 . 1 . . . . . 387 PRO CA . 53939 1 39 . 1 . 1 9 9 PRO CB C 13 32.052 0.000 . 1 . . . . . 387 PRO CB . 53939 1 40 . 1 . 1 9 9 PRO CG C 13 27.243 0.000 . 1 . . . . . 387 PRO CG . 53939 1 41 . 1 . 1 9 9 PRO CD C 13 50.548 0.000 . 1 . . . . . 387 PRO CD . 53939 1 42 . 1 . 1 9 9 PRO N N 15 136.991 0.000 . 1 . . . . . 387 PRO N . 53939 1 43 . 1 . 1 10 10 LYS H H 1 8.447 0.002 . 1 . . . . . 388 LYS H . 53939 1 44 . 1 . 1 10 10 LYS C C 13 176.570 0.004 . 1 . . . . . 388 LYS C . 53939 1 45 . 1 . 1 10 10 LYS CA C 13 56.337 0.000 . 1 . . . . . 388 LYS CA . 53939 1 46 . 1 . 1 10 10 LYS CB C 13 33.146 0.000 . 1 . . . . . 388 LYS CB . 53939 1 47 . 1 . 1 10 10 LYS CG C 13 24.912 0.000 . 1 . . . . . 388 LYS CG . 53939 1 48 . 1 . 1 10 10 LYS CE C 13 42.279 0.000 . 1 . . . . . 388 LYS CE . 53939 1 49 . 1 . 1 10 10 LYS N N 15 122.289 0.009 . 1 . . . . . 388 LYS N . 53939 1 50 . 1 . 1 11 11 VAL H H 1 8.151 0.002 . 1 . . . . . 389 VAL H . 53939 1 51 . 1 . 1 11 11 VAL C C 13 175.926 0.001 . 1 . . . . . 389 VAL C . 53939 1 52 . 1 . 1 11 11 VAL CA C 13 61.730 0.000 . 1 . . . . . 389 VAL CA . 53939 1 53 . 1 . 1 11 11 VAL CB C 13 33.039 0.000 . 1 . . . . . 389 VAL CB . 53939 1 54 . 1 . 1 11 11 VAL CG1 C 13 21.105 0.000 . 1 . . . . . 389 VAL CG1 . 53939 1 55 . 1 . 1 11 11 VAL CG2 C 13 21.105 0.000 . 1 . . . . . 389 VAL CG2 . 53939 1 56 . 1 . 1 11 11 VAL N N 15 121.615 0.012 . 1 . . . . . 389 VAL N . 53939 1 57 . 1 . 1 12 12 THR H H 1 8.346 0.003 . 1 . . . . . 390 THR H . 53939 1 58 . 1 . 1 12 12 THR C C 13 172.606 0.003 . 1 . . . . . 390 THR C . 53939 1 59 . 1 . 1 12 12 THR N N 15 121.605 0.014 . 1 . . . . . 390 THR N . 53939 1 60 . 1 . 1 13 13 PRO C C 13 176.164 0.002 . 1 . . . . . 391 PRO C . 53939 1 61 . 1 . 1 13 13 PRO CA C 13 62.743 0.000 . 1 . . . . . 391 PRO CA . 53939 1 62 . 1 . 1 13 13 PRO CB C 13 32.088 0.000 . 1 . . . . . 391 PRO CB . 53939 1 63 . 1 . 1 13 13 PRO CG C 13 27.204 0.000 . 1 . . . . . 391 PRO CG . 53939 1 64 . 1 . 1 13 13 PRO CD C 13 51.020 0.000 . 1 . . . . . 391 PRO CD . 53939 1 65 . 1 . 1 13 13 PRO N N 15 138.427 0.000 . 5 . . . . . 391 PRO N . 53939 1 66 . 1 . 1 14 14 ASN H H 1 8.454 0.002 . 1 . . . . . 392 ASN H . 53939 1 67 . 1 . 1 14 14 ASN C C 13 173.920 0.004 . 1 . . . . . 392 ASN C . 53939 1 68 . 1 . 1 14 14 ASN N N 15 120.048 0.012 . 1 . . . . . 392 ASN N . 53939 1 69 . 1 . 1 15 15 PRO C C 13 176.781 0.002 . 1 . . . . . 393 PRO C . 53939 1 70 . 1 . 1 15 15 PRO CA C 13 63.863 0.000 . 1 . . . . . 393 PRO CA . 53939 1 71 . 1 . 1 15 15 PRO CB C 13 32.243 0.000 . 1 . . . . . 393 PRO CB . 53939 1 72 . 1 . 1 15 15 PRO CG C 13 27.201 0.000 . 1 . . . . . 393 PRO CG . 53939 1 73 . 1 . 1 15 15 PRO CD C 13 50.810 0.000 . 1 . . . . . 393 PRO CD . 53939 1 74 . 1 . 1 15 15 PRO N N 15 137.064 0.000 . 1 . . . . . 393 PRO N . 53939 1 75 . 1 . 1 16 16 ASP H H 1 8.263 0.002 . 1 . . . . . 394 ASP H . 53939 1 76 . 1 . 1 16 16 ASP C C 13 176.464 0.002 . 1 . . . . . 394 ASP C . 53939 1 77 . 1 . 1 16 16 ASP CA C 13 54.621 0.000 . 1 . . . . . 394 ASP CA . 53939 1 78 . 1 . 1 16 16 ASP CB C 13 40.910 0.000 . 1 . . . . . 394 ASP CB . 53939 1 79 . 1 . 1 16 16 ASP N N 15 119.212 0.016 . 1 . . . . . 394 ASP N . 53939 1 80 . 1 . 1 17 17 LEU H H 1 7.853 0.002 . 1 . . . . . 395 LEU H . 53939 1 81 . 1 . 1 17 17 LEU C C 13 177.405 0.002 . 1 . . . . . 395 LEU C . 53939 1 82 . 1 . 1 17 17 LEU CA C 13 55.153 0.000 . 1 . . . . . 395 LEU CA . 53939 1 83 . 1 . 1 17 17 LEU CB C 13 42.145 0.000 . 1 . . . . . 395 LEU CB . 53939 1 84 . 1 . 1 17 17 LEU CG C 13 26.989 0.000 . 1 . . . . . 395 LEU CG . 53939 1 85 . 1 . 1 17 17 LEU CD1 C 13 23.390 0.000 . 1 . . . . . 395 LEU CD1 . 53939 1 86 . 1 . 1 17 17 LEU CD2 C 13 23.390 0.000 . 1 . . . . . 395 LEU CD2 . 53939 1 87 . 1 . 1 17 17 LEU N N 15 121.175 0.020 . 1 . . . . . 395 LEU N . 53939 1 88 . 1 . 1 18 18 LEU H H 1 7.990 0.002 . 1 . . . . . 396 LEU H . 53939 1 89 . 1 . 1 18 18 LEU C C 13 177.208 0.002 . 1 . . . . . 396 LEU C . 53939 1 90 . 1 . 1 18 18 LEU CA C 13 55.417 0.000 . 1 . . . . . 396 LEU CA . 53939 1 91 . 1 . 1 18 18 LEU CB C 13 42.298 0.000 . 1 . . . . . 396 LEU CB . 53939 1 92 . 1 . 1 18 18 LEU N N 15 121.565 0.023 . 1 . . . . . 396 LEU N . 53939 1 93 . 1 . 1 19 19 ASP H H 1 8.163 0.001 . 1 . . . . . 397 ASP H . 53939 1 94 . 1 . 1 19 19 ASP C C 13 176.258 0.003 . 1 . . . . . 397 ASP C . 53939 1 95 . 1 . 1 19 19 ASP CB C 13 41.137 0.000 . 1 . . . . . 397 ASP CB . 53939 1 96 . 1 . 1 19 19 ASP N N 15 120.319 0.010 . 1 . . . . . 397 ASP N . 53939 1 97 . 1 . 1 20 20 LEU H H 1 7.997 0.002 . 1 . . . . . 398 LEU H . 53939 1 98 . 1 . 1 20 20 LEU C C 13 177.669 0.002 . 1 . . . . . 398 LEU C . 53939 1 99 . 1 . 1 20 20 LEU CA C 13 55.550 0.000 . 1 . . . . . 398 LEU CA . 53939 1 100 . 1 . 1 20 20 LEU CB C 13 42.428 0.000 . 1 . . . . . 398 LEU CB . 53939 1 101 . 1 . 1 20 20 LEU N N 15 121.838 0.015 . 1 . . . . . 398 LEU N . 53939 1 102 . 1 . 1 21 21 VAL H H 1 8.038 0.002 . 1 . . . . . 399 VAL H . 53939 1 103 . 1 . 1 21 21 VAL C C 13 176.429 0.004 . 1 . . . . . 399 VAL C . 53939 1 104 . 1 . 1 21 21 VAL CA C 13 62.759 0.000 . 1 . . . . . 399 VAL CA . 53939 1 105 . 1 . 1 21 21 VAL CB C 13 32.316 0.000 . 1 . . . . . 399 VAL CB . 53939 1 106 . 1 . 1 21 21 VAL CG1 C 13 21.105 0.000 . 1 . . . . . 399 VAL CG1 . 53939 1 107 . 1 . 1 21 21 VAL CG2 C 13 21.105 0.000 . 1 . . . . . 399 VAL CG2 . 53939 1 108 . 1 . 1 21 21 VAL N N 15 120.897 0.034 . 1 . . . . . 399 VAL N . 53939 1 109 . 1 . 1 22 22 GLN H H 1 8.395 0.002 . 1 . . . . . 400 GLN H . 53939 1 110 . 1 . 1 22 22 GLN C C 13 176.527 0.007 . 1 . . . . . 400 GLN C . 53939 1 111 . 1 . 1 22 22 GLN CA C 13 56.098 0.000 . 1 . . . . . 400 GLN CA . 53939 1 112 . 1 . 1 22 22 GLN CB C 13 29.656 0.000 . 1 . . . . . 400 GLN CB . 53939 1 113 . 1 . 1 22 22 GLN CG C 13 34.150 0.000 . 1 . . . . . 400 GLN CG . 53939 1 114 . 1 . 1 22 22 GLN N N 15 123.524 0.017 . 1 . . . . . 400 GLN N . 53939 1 115 . 1 . 1 23 23 THR H H 1 8.267 0.002 . 1 . . . . . 401 THR H . 53939 1 116 . 1 . 1 23 23 THR C C 13 174.781 0.003 . 1 . . . . . 401 THR C . 53939 1 117 . 1 . 1 23 23 THR CA C 13 62.061 0.000 . 1 . . . . . 401 THR CA . 53939 1 118 . 1 . 1 23 23 THR CB C 13 70.114 0.000 . 1 . . . . . 401 THR CB . 53939 1 119 . 1 . 1 23 23 THR CG2 C 13 21.655 0.000 . 1 . . . . . 401 THR CG2 . 53939 1 120 . 1 . 1 23 23 THR N N 15 115.183 0.009 . 1 . . . . . 401 THR N . 53939 1 121 . 1 . 1 24 24 ALA H H 1 8.404 0.002 . 1 . . . . . 402 ALA H . 53939 1 122 . 1 . 1 24 24 ALA C C 13 178.469 0.003 . 1 . . . . . 402 ALA C . 53939 1 123 . 1 . 1 24 24 ALA CA C 13 53.718 0.000 . 1 . . . . . 402 ALA CA . 53939 1 124 . 1 . 1 24 24 ALA CB C 13 18.936 0.000 . 1 . . . . . 402 ALA CB . 53939 1 125 . 1 . 1 24 24 ALA N N 15 125.413 0.010 . 1 . . . . . 402 ALA N . 53939 1 126 . 1 . 1 25 25 ASP H H 1 8.274 0.002 . 1 . . . . . 403 ASP H . 53939 1 127 . 1 . 1 25 25 ASP C C 13 177.185 0.003 . 1 . . . . . 403 ASP C . 53939 1 128 . 1 . 1 25 25 ASP CA C 13 55.649 0.000 . 1 . . . . . 403 ASP CA . 53939 1 129 . 1 . 1 25 25 ASP CB C 13 41.213 0.000 . 1 . . . . . 403 ASP CB . 53939 1 130 . 1 . 1 25 25 ASP N N 15 119.089 0.014 . 1 . . . . . 403 ASP N . 53939 1 131 . 1 . 1 26 26 GLU H H 1 8.233 0.001 . 1 . . . . . 404 GLU H . 53939 1 132 . 1 . 1 26 26 GLU C C 13 177.666 0.002 . 1 . . . . . 404 GLU C . 53939 1 133 . 1 . 1 26 26 GLU CA C 13 57.951 0.000 . 1 . . . . . 404 GLU CA . 53939 1 134 . 1 . 1 26 26 GLU CB C 13 29.904 0.000 . 1 . . . . . 404 GLU CB . 53939 1 135 . 1 . 1 26 26 GLU CG C 13 36.341 0.000 . 1 . . . . . 404 GLU CG . 53939 1 136 . 1 . 1 26 26 GLU N N 15 121.394 0.006 . 1 . . . . . 404 GLU N . 53939 1 137 . 1 . 1 27 27 LYS H H 1 8.179 0.001 . 1 . . . . . 405 LYS H . 53939 1 138 . 1 . 1 27 27 LYS C C 13 177.673 0.001 . 1 . . . . . 405 LYS C . 53939 1 139 . 1 . 1 27 27 LYS CA C 13 57.577 0.000 . 1 . . . . . 405 LYS CA . 53939 1 140 . 1 . 1 27 27 LYS CB C 13 32.465 0.000 . 1 . . . . . 405 LYS CB . 53939 1 141 . 1 . 1 27 27 LYS CG C 13 25.199 0.000 . 1 . . . . . 405 LYS CG . 53939 1 142 . 1 . 1 27 27 LYS CD C 13 29.046 0.000 . 1 . . . . . 405 LYS CD . 53939 1 143 . 1 . 1 27 27 LYS N N 15 120.249 0.012 . 1 . . . . . 405 LYS N . 53939 1 144 . 1 . 1 28 28 ARG H H 1 7.984 0.002 . 1 . . . . . 406 ARG H . 53939 1 145 . 1 . 1 28 28 ARG C C 13 176.893 0.004 . 1 . . . . . 406 ARG C . 53939 1 146 . 1 . 1 28 28 ARG CA C 13 57.117 0.000 . 1 . . . . . 406 ARG CA . 53939 1 147 . 1 . 1 28 28 ARG CB C 13 30.464 0.000 . 1 . . . . . 406 ARG CB . 53939 1 148 . 1 . 1 28 28 ARG CG C 13 27.416 0.000 . 1 . . . . . 406 ARG CG . 53939 1 149 . 1 . 1 28 28 ARG CD C 13 43.431 0.000 . 1 . . . . . 406 ARG CD . 53939 1 150 . 1 . 1 28 28 ARG N N 15 120.318 0.014 . 1 . . . . . 406 ARG N . 53939 1 151 . 1 . 1 29 29 ARG H H 1 8.087 0.002 . 1 . . . . . 407 ARG H . 53939 1 152 . 1 . 1 29 29 ARG C C 13 176.866 0.005 . 1 . . . . . 407 ARG C . 53939 1 153 . 1 . 1 29 29 ARG CA C 13 56.906 0.000 . 1 . . . . . 407 ARG CA . 53939 1 154 . 1 . 1 29 29 ARG CB C 13 30.754 0.000 . 1 . . . . . 407 ARG CB . 53939 1 155 . 1 . 1 29 29 ARG CG C 13 27.453 0.000 . 1 . . . . . 407 ARG CG . 53939 1 156 . 1 . 1 29 29 ARG CD C 13 43.449 0.000 . 1 . . . . . 407 ARG CD . 53939 1 157 . 1 . 1 29 29 ARG N N 15 120.751 0.013 . 1 . . . . . 407 ARG N . 53939 1 158 . 1 . 1 30 30 GLN H H 1 8.207 0.002 . 1 . . . . . 408 GLN H . 53939 1 159 . 1 . 1 30 30 GLN C C 13 176.434 0.003 . 1 . . . . . 408 GLN C . 53939 1 160 . 1 . 1 30 30 GLN CA C 13 56.528 0.000 . 1 . . . . . 408 GLN CA . 53939 1 161 . 1 . 1 30 30 GLN CB C 13 29.257 0.000 . 1 . . . . . 408 GLN CB . 53939 1 162 . 1 . 1 30 30 GLN CG C 13 33.919 0.000 . 1 . . . . . 408 GLN CG . 53939 1 163 . 1 . 1 30 30 GLN N N 15 120.442 0.034 . 1 . . . . . 408 GLN N . 53939 1 164 . 1 . 1 31 31 ARG H H 1 8.228 0.001 . 1 . . . . . 409 ARG H . 53939 1 165 . 1 . 1 31 31 ARG C C 13 176.505 0.005 . 1 . . . . . 409 ARG C . 53939 1 166 . 1 . 1 31 31 ARG CA C 13 56.660 0.000 . 1 . . . . . 409 ARG CA . 53939 1 167 . 1 . 1 31 31 ARG CB C 13 30.744 0.000 . 1 . . . . . 409 ARG CB . 53939 1 168 . 1 . 1 31 31 ARG CG C 13 27.082 0.000 . 1 . . . . . 409 ARG CG . 53939 1 169 . 1 . 1 31 31 ARG CD C 13 43.411 0.000 . 1 . . . . . 409 ARG CD . 53939 1 170 . 1 . 1 31 31 ARG N N 15 121.615 0.016 . 1 . . . . . 409 ARG N . 53939 1 171 . 1 . 1 32 32 ASP H H 1 8.399 0.002 . 1 . . . . . 410 ASP H . 53939 1 172 . 1 . 1 32 32 ASP C C 13 176.529 0.018 . 1 . . . . . 410 ASP C . 53939 1 173 . 1 . 1 32 32 ASP CA C 13 55.129 0.000 . 1 . . . . . 410 ASP CA . 53939 1 174 . 1 . 1 32 32 ASP CB C 13 41.164 0.000 . 1 . . . . . 410 ASP CB . 53939 1 175 . 1 . 1 32 32 ASP N N 15 121.202 0.010 . 1 . . . . . 410 ASP N . 53939 1 176 . 1 . 1 33 33 GLN H H 1 8.304 0.002 . 1 . . . . . 411 GLN H . 53939 1 177 . 1 . 1 33 33 GLN C C 13 176.514 0.013 . 1 . . . . . 411 GLN C . 53939 1 178 . 1 . 1 33 33 GLN CA C 13 56.314 0.000 . 1 . . . . . 411 GLN CA . 53939 1 179 . 1 . 1 33 33 GLN CB C 13 29.345 0.000 . 1 . . . . . 411 GLN CB . 53939 1 180 . 1 . 1 33 33 GLN CG C 13 34.016 0.000 . 1 . . . . . 411 GLN CG . 53939 1 181 . 1 . 1 33 33 GLN N N 15 120.081 0.030 . 1 . . . . . 411 GLN N . 53939 1 182 . 1 . 1 34 34 GLY H H 1 8.376 0.003 . 1 . . . . . 412 GLY H . 53939 1 183 . 1 . 1 34 34 GLY C C 13 174.024 0.008 . 1 . . . . . 412 GLY C . 53939 1 184 . 1 . 1 34 34 GLY CA C 13 45.674 0.000 . 1 . . . . . 412 GLY CA . 53939 1 185 . 1 . 1 34 34 GLY N N 15 109.300 0.001 . 1 . . . . . 412 GLY N . 53939 1 186 . 1 . 1 35 35 GLU H H 1 8.205 0.002 . 1 . . . . . 413 GLU H . 53939 1 187 . 1 . 1 35 35 GLU C C 13 176.508 0.003 . 1 . . . . . 413 GLU C . 53939 1 188 . 1 . 1 35 35 GLU CA C 13 56.452 0.000 . 1 . . . . . 413 GLU CA . 53939 1 189 . 1 . 1 35 35 GLU CB C 13 30.439 0.000 . 1 . . . . . 413 GLU CB . 53939 1 190 . 1 . 1 35 35 GLU CG C 13 36.336 0.000 . 1 . . . . . 413 GLU CG . 53939 1 191 . 1 . 1 35 35 GLU N N 15 120.612 0.019 . 1 . . . . . 413 GLU N . 53939 1 192 . 1 . 1 36 36 VAL H H 1 8.178 0.003 . 1 . . . . . 414 VAL H . 53939 1 193 . 1 . 1 36 36 VAL C C 13 176.618 0.006 . 1 . . . . . 414 VAL C . 53939 1 194 . 1 . 1 36 36 VAL CA C 13 62.524 0.000 . 1 . . . . . 414 VAL CA . 53939 1 195 . 1 . 1 36 36 VAL CB C 13 32.983 0.000 . 1 . . . . . 414 VAL CB . 53939 1 196 . 1 . 1 36 36 VAL CG1 C 13 21.105 0.000 . 1 . . . . . 414 VAL CG1 . 53939 1 197 . 1 . 1 36 36 VAL CG2 C 13 21.105 0.000 . 1 . . . . . 414 VAL CG2 . 53939 1 198 . 1 . 1 36 36 VAL N N 15 121.024 0.022 . 1 . . . . . 414 VAL N . 53939 1 199 . 1 . 1 37 37 GLY H H 1 8.516 0.002 . 1 . . . . . 415 GLY H . 53939 1 200 . 1 . 1 37 37 GLY C C 13 173.976 0.005 . 1 . . . . . 415 GLY C . 53939 1 201 . 1 . 1 37 37 GLY CA C 13 45.480 0.000 . 1 . . . . . 415 GLY CA . 53939 1 202 . 1 . 1 37 37 GLY N N 15 112.732 0.019 . 1 . . . . . 415 GLY N . 53939 1 203 . 1 . 1 38 38 VAL H H 1 7.975 0.003 . 1 . . . . . 416 VAL H . 53939 1 204 . 1 . 1 38 38 VAL C C 13 176.150 0.003 . 1 . . . . . 416 VAL C . 53939 1 205 . 1 . 1 38 38 VAL CA C 13 62.231 0.000 . 1 . . . . . 416 VAL CA . 53939 1 206 . 1 . 1 38 38 VAL CB C 13 33.014 0.000 . 1 . . . . . 416 VAL CB . 53939 1 207 . 1 . 1 38 38 VAL CG1 C 13 20.433 0.000 . 1 . . . . . 416 VAL CG1 . 53939 1 208 . 1 . 1 38 38 VAL CG2 C 13 21.291 0.000 . 1 . . . . . 416 VAL CG2 . 53939 1 209 . 1 . 1 38 38 VAL N N 15 119.108 0.022 . 1 . . . . . 416 VAL N . 53939 1 210 . 1 . 1 39 39 GLU H H 1 8.537 0.002 . 1 . . . . . 417 GLU H . 53939 1 211 . 1 . 1 39 39 GLU C C 13 176.187 0.004 . 1 . . . . . 417 GLU C . 53939 1 212 . 1 . 1 39 39 GLU CA C 13 56.438 0.000 . 1 . . . . . 417 GLU CA . 53939 1 213 . 1 . 1 39 39 GLU CB C 13 30.276 0.000 . 1 . . . . . 417 GLU CB . 53939 1 214 . 1 . 1 39 39 GLU CG C 13 36.324 0.000 . 1 . . . . . 417 GLU CG . 53939 1 215 . 1 . 1 39 39 GLU N N 15 124.420 0.007 . 1 . . . . . 417 GLU N . 53939 1 216 . 1 . 1 40 40 GLU H H 1 8.360 0.002 . 1 . . . . . 418 GLU H . 53939 1 217 . 1 . 1 40 40 GLU C C 13 176.090 0.006 . 1 . . . . . 418 GLU C . 53939 1 218 . 1 . 1 40 40 GLU CA C 13 56.343 0.000 . 1 . . . . . 418 GLU CA . 53939 1 219 . 1 . 1 40 40 GLU CB C 13 30.699 0.000 . 1 . . . . . 418 GLU CB . 53939 1 220 . 1 . 1 40 40 GLU CG C 13 36.403 0.000 . 1 . . . . . 418 GLU CG . 53939 1 221 . 1 . 1 40 40 GLU N N 15 122.202 0.010 . 1 . . . . . 418 GLU N . 53939 1 222 . 1 . 1 41 41 GLU H H 1 8.429 0.002 . 1 . . . . . 419 GLU H . 53939 1 223 . 1 . 1 41 41 GLU C C 13 174.604 0.003 . 1 . . . . . 419 GLU C . 53939 1 224 . 1 . 1 41 41 GLU N N 15 123.496 0.026 . 1 . . . . . 419 GLU N . 53939 1 225 . 1 . 1 42 42 PRO C C 13 176.702 0.001 . 1 . . . . . 420 PRO C . 53939 1 226 . 1 . 1 42 42 PRO CA C 13 63.218 0.000 . 1 . . . . . 420 PRO CA . 53939 1 227 . 1 . 1 42 42 PRO CB C 13 31.845 0.000 . 1 . . . . . 420 PRO CB . 53939 1 228 . 1 . 1 42 42 PRO CG C 13 27.279 0.000 . 1 . . . . . 420 PRO CG . 53939 1 229 . 1 . 1 42 42 PRO N N 15 136.794 0.000 . 1 . . . . . 420 PRO N . 53939 1 230 . 1 . 1 43 43 PHE H H 1 8.171 0.002 . 1 . . . . . 421 PHE H . 53939 1 231 . 1 . 1 43 43 PHE C C 13 175.455 0.001 . 1 . . . . . 421 PHE C . 53939 1 232 . 1 . 1 43 43 PHE CA C 13 57.464 0.000 . 1 . . . . . 421 PHE CA . 53939 1 233 . 1 . 1 43 43 PHE CB C 13 39.385 0.000 . 1 . . . . . 421 PHE CB . 53939 1 234 . 1 . 1 43 43 PHE N N 15 119.875 0.015 . 1 . . . . . 421 PHE N . 53939 1 235 . 1 . 1 44 44 ALA H H 1 8.064 0.001 . 1 . . . . . 422 ALA H . 53939 1 236 . 1 . 1 44 44 ALA C C 13 177.180 0.003 . 1 . . . . . 422 ALA C . 53939 1 237 . 1 . 1 44 44 ALA CA C 13 52.285 0.000 . 1 . . . . . 422 ALA CA . 53939 1 238 . 1 . 1 44 44 ALA CB C 13 19.575 0.000 . 1 . . . . . 422 ALA CB . 53939 1 239 . 1 . 1 44 44 ALA N N 15 125.753 0.018 . 1 . . . . . 422 ALA N . 53939 1 240 . 1 . 1 45 45 LEU H H 1 8.089 0.002 . 1 . . . . . 423 LEU H . 53939 1 241 . 1 . 1 45 45 LEU C C 13 177.991 0.002 . 1 . . . . . 423 LEU C . 53939 1 242 . 1 . 1 45 45 LEU CA C 13 55.337 0.000 . 1 . . . . . 423 LEU CA . 53939 1 243 . 1 . 1 45 45 LEU CB C 13 42.446 0.000 . 1 . . . . . 423 LEU CB . 53939 1 244 . 1 . 1 45 45 LEU N N 15 121.432 0.013 . 1 . . . . . 423 LEU N . 53939 1 245 . 1 . 1 46 46 GLY H H 1 8.393 0.013 . 1 . . . . . 424 GLY H . 53939 1 246 . 1 . 1 46 46 GLY C C 13 174.157 0.006 . 1 . . . . . 424 GLY C . 53939 1 247 . 1 . 1 46 46 GLY CA C 13 45.554 0.000 . 1 . . . . . 424 GLY CA . 53939 1 248 . 1 . 1 46 46 GLY N N 15 109.868 0.011 . 1 . . . . . 424 GLY N . 53939 1 249 . 1 . 1 47 47 ALA H H 1 8.159 0.001 . 1 . . . . . 425 ALA H . 53939 1 250 . 1 . 1 47 47 ALA C C 13 178.007 0.003 . 1 . . . . . 425 ALA C . 53939 1 251 . 1 . 1 47 47 ALA CA C 13 52.596 0.000 . 1 . . . . . 425 ALA CA . 53939 1 252 . 1 . 1 47 47 ALA CB C 13 19.398 0.000 . 1 . . . . . 425 ALA CB . 53939 1 253 . 1 . 1 47 47 ALA N N 15 123.780 0.012 . 1 . . . . . 425 ALA N . 53939 1 254 . 1 . 1 48 48 GLU H H 1 8.484 0.002 . 1 . . . . . 426 GLU H . 53939 1 255 . 1 . 1 48 48 GLU C C 13 176.570 0.003 . 1 . . . . . 426 GLU C . 53939 1 256 . 1 . 1 48 48 GLU CA C 13 56.842 0.000 . 1 . . . . . 426 GLU CA . 53939 1 257 . 1 . 1 48 48 GLU CB C 13 30.160 0.000 . 1 . . . . . 426 GLU CB . 53939 1 258 . 1 . 1 48 48 GLU CG C 13 36.330 0.000 . 1 . . . . . 426 GLU CG . 53939 1 259 . 1 . 1 48 48 GLU N N 15 119.633 0.009 . 1 . . . . . 426 GLU N . 53939 1 260 . 1 . 1 49 49 ALA H H 1 8.201 0.002 . 1 . . . . . 427 ALA H . 53939 1 261 . 1 . 1 49 49 ALA C C 13 177.920 0.002 . 1 . . . . . 427 ALA C . 53939 1 262 . 1 . 1 49 49 ALA CA C 13 52.609 0.000 . 1 . . . . . 427 ALA CA . 53939 1 263 . 1 . 1 49 49 ALA CB C 13 19.338 0.000 . 1 . . . . . 427 ALA CB . 53939 1 264 . 1 . 1 49 49 ALA N N 15 124.490 0.013 . 1 . . . . . 427 ALA N . 53939 1 265 . 1 . 1 50 50 SER H H 1 8.183 0.001 . 1 . . . . . 428 SER H . 53939 1 266 . 1 . 1 50 50 SER C C 13 174.352 0.006 . 1 . . . . . 428 SER C . 53939 1 267 . 1 . 1 50 50 SER CA C 13 58.683 0.000 . 1 . . . . . 428 SER CA . 53939 1 268 . 1 . 1 50 50 SER CB C 13 63.253 0.000 . 1 . . . . . 428 SER CB . 53939 1 269 . 1 . 1 50 50 SER N N 15 114.447 0.032 . 1 . . . . . 428 SER N . 53939 1 270 . 1 . 1 51 51 ASN H H 1 8.257 0.001 . 1 . . . . . 429 ASN H . 53939 1 271 . 1 . 1 51 51 ASN C C 13 174.868 0.001 . 1 . . . . . 429 ASN C . 53939 1 272 . 1 . 1 51 51 ASN CA C 13 53.629 0.000 . 1 . . . . . 429 ASN CA . 53939 1 273 . 1 . 1 51 51 ASN CB C 13 38.784 0.000 . 1 . . . . . 429 ASN CB . 53939 1 274 . 1 . 1 51 51 ASN N N 15 120.163 0.030 . 1 . . . . . 429 ASN N . 53939 1 275 . 1 . 1 52 52 PHE H H 1 8.065 0.002 . 1 . . . . . 430 PHE H . 53939 1 276 . 1 . 1 52 52 PHE C C 13 175.456 0.001 . 1 . . . . . 430 PHE C . 53939 1 277 . 1 . 1 52 52 PHE CA C 13 58.350 0.000 . 1 . . . . . 430 PHE CA . 53939 1 278 . 1 . 1 52 52 PHE CB C 13 39.395 0.000 . 1 . . . . . 430 PHE CB . 53939 1 279 . 1 . 1 52 52 PHE N N 15 120.244 0.009 . 1 . . . . . 430 PHE N . 53939 1 280 . 1 . 1 53 53 GLN H H 1 8.183 0.002 . 1 . . . . . 431 GLN H . 53939 1 281 . 1 . 1 53 53 GLN C C 13 175.250 0.002 . 1 . . . . . 431 GLN C . 53939 1 282 . 1 . 1 53 53 GLN CA C 13 55.587 0.000 . 1 . . . . . 431 GLN CA . 53939 1 283 . 1 . 1 53 53 GLN CB C 13 29.763 0.000 . 1 . . . . . 431 GLN CB . 53939 1 284 . 1 . 1 53 53 GLN CG C 13 33.914 0.000 . 1 . . . . . 431 GLN CG . 53939 1 285 . 1 . 1 53 53 GLN N N 15 121.887 0.019 . 1 . . . . . 431 GLN N . 53939 1 286 . 1 . 1 54 54 GLN H H 1 8.266 0.002 . 1 . . . . . 432 GLN H . 53939 1 287 . 1 . 1 54 54 GLN C C 13 175.590 0.003 . 1 . . . . . 432 GLN C . 53939 1 288 . 1 . 1 54 54 GLN CA C 13 55.571 0.000 . 1 . . . . . 432 GLN CA . 53939 1 289 . 1 . 1 54 54 GLN CB C 13 30.244 0.000 . 1 . . . . . 432 GLN CB . 53939 1 290 . 1 . 1 54 54 GLN CG C 13 33.930 0.000 . 1 . . . . . 432 GLN CG . 53939 1 291 . 1 . 1 54 54 GLN N N 15 121.567 0.014 . 1 . . . . . 432 GLN N . 53939 1 292 . 1 . 1 55 55 GLU H H 1 8.444 0.002 . 1 . . . . . 433 GLU H . 53939 1 293 . 1 . 1 55 55 GLU C C 13 174.375 0.001 . 1 . . . . . 433 GLU C . 53939 1 294 . 1 . 1 55 55 GLU N N 15 123.846 0.008 . 1 . . . . . 433 GLU N . 53939 1 295 . 1 . 1 56 56 PRO C C 13 176.182 0.001 . 1 . . . . . 434 PRO C . 53939 1 296 . 1 . 1 56 56 PRO CA C 13 62.681 0.000 . 1 . . . . . 434 PRO CA . 53939 1 297 . 1 . 1 56 56 PRO CB C 13 31.958 0.000 . 1 . . . . . 434 PRO CB . 53939 1 298 . 1 . 1 56 56 PRO CG C 13 27.222 0.000 . 1 . . . . . 434 PRO CG . 53939 1 299 . 1 . 1 56 56 PRO CD C 13 50.554 0.000 . 1 . . . . . 434 PRO CD . 53939 1 300 . 1 . 1 56 56 PRO N N 15 137.188 0.000 . 1 . . . . . 434 PRO N . 53939 1 301 . 1 . 1 57 57 ALA H H 1 8.359 0.002 . 1 . . . . . 435 ALA H . 53939 1 302 . 1 . 1 57 57 ALA C C 13 175.578 0.001 . 1 . . . . . 435 ALA C . 53939 1 303 . 1 . 1 57 57 ALA N N 15 125.459 0.016 . 1 . . . . . 435 ALA N . 53939 1 304 . 1 . 1 58 58 PRO C C 13 177.175 0.000 . 1 . . . . . 436 PRO C . 53939 1 305 . 1 . 1 58 58 PRO CA C 13 62.997 0.000 . 1 . . . . . 436 PRO CA . 53939 1 306 . 1 . 1 58 58 PRO CB C 13 31.988 0.000 . 1 . . . . . 436 PRO CB . 53939 1 307 . 1 . 1 58 58 PRO CG C 13 27.412 0.000 . 1 . . . . . 436 PRO CG . 53939 1 308 . 1 . 1 58 58 PRO N N 15 135.704 0.000 . 1 . . . . . 436 PRO N . 53939 1 309 . 1 . 1 59 59 ARG H H 1 8.426 0.001 . 1 . . . . . 437 ARG H . 53939 1 310 . 1 . 1 59 59 ARG C C 13 176.167 0.008 . 1 . . . . . 437 ARG C . 53939 1 311 . 1 . 1 59 59 ARG CA C 13 56.305 0.000 . 1 . . . . . 437 ARG CA . 53939 1 312 . 1 . 1 59 59 ARG CB C 13 30.890 0.000 . 1 . . . . . 437 ARG CB . 53939 1 313 . 1 . 1 59 59 ARG CG C 13 27.121 0.000 . 1 . . . . . 437 ARG CG . 53939 1 314 . 1 . 1 59 59 ARG CD C 13 43.417 0.000 . 1 . . . . . 437 ARG CD . 53939 1 315 . 1 . 1 59 59 ARG N N 15 120.925 0.008 . 1 . . . . . 437 ARG N . 53939 1 316 . 1 . 1 60 60 ASP H H 1 8.325 0.002 . 1 . . . . . 438 ASP H . 53939 1 317 . 1 . 1 60 60 ASP C C 13 176.162 0.003 . 1 . . . . . 438 ASP C . 53939 1 318 . 1 . 1 60 60 ASP CA C 13 54.621 0.000 . 1 . . . . . 438 ASP CA . 53939 1 319 . 1 . 1 60 60 ASP CB C 13 41.350 0.000 . 1 . . . . . 438 ASP CB . 53939 1 320 . 1 . 1 60 60 ASP N N 15 120.817 0.025 . 1 . . . . . 438 ASP N . 53939 1 321 . 1 . 1 61 61 ARG H H 1 8.170 0.004 . 1 . . . . . 439 ARG H . 53939 1 322 . 1 . 1 61 61 ARG C C 13 175.844 0.005 . 1 . . . . . 439 ARG C . 53939 1 323 . 1 . 1 61 61 ARG CA C 13 55.991 0.000 . 1 . . . . . 439 ARG CA . 53939 1 324 . 1 . 1 61 61 ARG CB C 13 30.790 0.000 . 1 . . . . . 439 ARG CB . 53939 1 325 . 1 . 1 61 61 ARG CG C 13 27.109 0.000 . 1 . . . . . 439 ARG CG . 53939 1 326 . 1 . 1 61 61 ARG CD C 13 43.493 0.000 . 1 . . . . . 439 ARG CD . 53939 1 327 . 1 . 1 61 61 ARG N N 15 121.193 0.032 . 1 . . . . . 439 ARG N . 53939 1 328 . 1 . 1 62 62 ALA H H 1 8.315 0.001 . 1 . . . . . 440 ALA H . 53939 1 329 . 1 . 1 62 62 ALA C C 13 177.482 0.005 . 1 . . . . . 440 ALA C . 53939 1 330 . 1 . 1 62 62 ALA CA C 13 52.337 0.000 . 1 . . . . . 440 ALA CA . 53939 1 331 . 1 . 1 62 62 ALA CB C 13 19.509 0.000 . 1 . . . . . 440 ALA CB . 53939 1 332 . 1 . 1 62 62 ALA N N 15 124.800 0.028 . 1 . . . . . 440 ALA N . 53939 1 333 . 1 . 1 63 63 SER H H 1 8.205 0.002 . 1 . . . . . 441 SER H . 53939 1 334 . 1 . 1 63 63 SER C C 13 172.727 0.006 . 1 . . . . . 441 SER C . 53939 1 335 . 1 . 1 63 63 SER N N 15 116.470 0.026 . 1 . . . . . 441 SER N . 53939 1 336 . 1 . 1 64 64 PRO C C 13 176.656 0.001 . 1 . . . . . 442 PRO C . 53939 1 337 . 1 . 1 64 64 PRO CA C 13 63.253 0.000 . 1 . . . . . 442 PRO CA . 53939 1 338 . 1 . 1 64 64 PRO CB C 13 32.023 0.000 . 1 . . . . . 442 PRO CB . 53939 1 339 . 1 . 1 64 64 PRO CG C 13 27.199 0.000 . 1 . . . . . 442 PRO CG . 53939 1 340 . 1 . 1 64 64 PRO N N 15 138.140 0.000 . 1 . . . . . 442 PRO N . 53939 1 341 . 1 . 1 65 65 ALA H H 1 8.298 0.002 . 1 . . . . . 443 ALA H . 53939 1 342 . 1 . 1 65 65 ALA C C 13 177.478 0.001 . 1 . . . . . 443 ALA C . 53939 1 343 . 1 . 1 65 65 ALA CA C 13 52.343 0.000 . 1 . . . . . 443 ALA CA . 53939 1 344 . 1 . 1 65 65 ALA CB C 13 19.341 0.000 . 1 . . . . . 443 ALA CB . 53939 1 345 . 1 . 1 65 65 ALA N N 15 124.089 0.033 . 1 . . . . . 443 ALA N . 53939 1 346 . 1 . 1 66 66 ALA H H 1 8.196 0.001 . 1 . . . . . 444 ALA H . 53939 1 347 . 1 . 1 66 66 ALA C C 13 177.464 0.001 . 1 . . . . . 444 ALA C . 53939 1 348 . 1 . 1 66 66 ALA CA C 13 52.335 0.000 . 1 . . . . . 444 ALA CA . 53939 1 349 . 1 . 1 66 66 ALA CB C 13 19.410 0.000 . 1 . . . . . 444 ALA CB . 53939 1 350 . 1 . 1 66 66 ALA N N 15 123.419 0.011 . 1 . . . . . 444 ALA N . 53939 1 351 . 1 . 1 67 67 ALA H H 1 8.217 0.002 . 1 . . . . . 445 ALA H . 53939 1 352 . 1 . 1 67 67 ALA C C 13 177.687 0.002 . 1 . . . . . 445 ALA C . 53939 1 353 . 1 . 1 67 67 ALA CA C 13 52.390 0.000 . 1 . . . . . 445 ALA CA . 53939 1 354 . 1 . 1 67 67 ALA CB C 13 19.419 0.000 . 1 . . . . . 445 ALA CB . 53939 1 355 . 1 . 1 67 67 ALA N N 15 123.254 0.010 . 1 . . . . . 445 ALA N . 53939 1 356 . 1 . 1 68 68 GLU H H 1 8.294 0.002 . 1 . . . . . 446 GLU H . 53939 1 357 . 1 . 1 68 68 GLU C C 13 176.307 0.002 . 1 . . . . . 446 GLU C . 53939 1 358 . 1 . 1 68 68 GLU CA C 13 56.457 0.000 . 1 . . . . . 446 GLU CA . 53939 1 359 . 1 . 1 68 68 GLU CB C 13 30.395 0.000 . 1 . . . . . 446 GLU CB . 53939 1 360 . 1 . 1 68 68 GLU CG C 13 36.348 0.000 . 1 . . . . . 446 GLU CG . 53939 1 361 . 1 . 1 68 68 GLU N N 15 119.592 0.014 . 1 . . . . . 446 GLU N . 53939 1 362 . 1 . 1 69 69 GLU H H 1 8.305 0.001 . 1 . . . . . 447 GLU H . 53939 1 363 . 1 . 1 69 69 GLU C C 13 176.087 0.002 . 1 . . . . . 447 GLU C . 53939 1 364 . 1 . 1 69 69 GLU CA C 13 56.392 0.000 . 1 . . . . . 447 GLU CA . 53939 1 365 . 1 . 1 69 69 GLU CB C 13 30.499 0.000 . 1 . . . . . 447 GLU CB . 53939 1 366 . 1 . 1 69 69 GLU CG C 13 36.320 0.000 . 1 . . . . . 447 GLU CG . 53939 1 367 . 1 . 1 69 69 GLU N N 15 122.095 0.011 . 1 . . . . . 447 GLU N . 53939 1 368 . 1 . 1 70 70 VAL H H 1 8.176 0.002 . 1 . . . . . 448 VAL H . 53939 1 369 . 1 . 1 70 70 VAL C C 13 175.864 0.004 . 1 . . . . . 448 VAL C . 53939 1 370 . 1 . 1 70 70 VAL CA C 13 62.254 0.000 . 1 . . . . . 448 VAL CA . 53939 1 371 . 1 . 1 70 70 VAL CB C 13 32.815 0.000 . 1 . . . . . 448 VAL CB . 53939 1 372 . 1 . 1 70 70 VAL CG1 C 13 21.105 0.000 . 1 . . . . . 448 VAL CG1 . 53939 1 373 . 1 . 1 70 70 VAL CG2 C 13 21.105 0.000 . 1 . . . . . 448 VAL CG2 . 53939 1 374 . 1 . 1 70 70 VAL N N 15 122.415 0.010 . 1 . . . . . 448 VAL N . 53939 1 375 . 1 . 1 71 71 VAL H H 1 8.231 0.002 . 1 . . . . . 449 VAL H . 53939 1 376 . 1 . 1 71 71 VAL C C 13 174.323 0.001 . 1 . . . . . 449 VAL C . 53939 1 377 . 1 . 1 71 71 VAL N N 15 126.589 0.013 . 1 . . . . . 449 VAL N . 53939 1 378 . 1 . 1 72 72 PRO C C 13 177.246 0.001 . 1 . . . . . 450 PRO C . 53939 1 379 . 1 . 1 72 72 PRO CA C 13 62.733 0.000 . 1 . . . . . 450 PRO CA . 53939 1 380 . 1 . 1 72 72 PRO CB C 13 31.860 0.000 . 1 . . . . . 450 PRO CB . 53939 1 381 . 1 . 1 72 72 PRO CG C 13 27.248 0.000 . 1 . . . . . 450 PRO CG . 53939 1 382 . 1 . 1 72 72 PRO CD C 13 50.946 0.000 . 1 . . . . . 450 PRO CD . 53939 1 383 . 1 . 1 72 72 PRO N N 15 139.152 0.000 . 1 . . . . . 450 PRO N . 53939 1 384 . 1 . 1 73 73 GLU H H 1 8.571 0.002 . 1 . . . . . 451 GLU H . 53939 1 385 . 1 . 1 73 73 GLU C C 13 176.915 0.002 . 1 . . . . . 451 GLU C . 53939 1 386 . 1 . 1 73 73 GLU CA C 13 57.799 0.000 . 1 . . . . . 451 GLU CA . 53939 1 387 . 1 . 1 73 73 GLU CB C 13 29.703 0.000 . 1 . . . . . 451 GLU CB . 53939 1 388 . 1 . 1 73 73 GLU CG C 13 36.270 0.000 . 1 . . . . . 451 GLU CG . 53939 1 389 . 1 . 1 73 73 GLU N N 15 120.831 0.035 . 1 . . . . . 451 GLU N . 53939 1 390 . 1 . 1 74 74 TRP H H 1 7.670 0.002 . 1 . . . . . 452 TRP H . 53939 1 391 . 1 . 1 74 74 TRP HE1 H 1 10.237 0.000 . 1 . . . . . 452 TRP HE1 . 53939 1 392 . 1 . 1 74 74 TRP C C 13 176.392 0.001 . 1 . . . . . 452 TRP C . 53939 1 393 . 1 . 1 74 74 TRP CA C 13 56.982 0.000 . 1 . . . . . 452 TRP CA . 53939 1 394 . 1 . 1 74 74 TRP CB C 13 29.188 0.000 . 1 . . . . . 452 TRP CB . 53939 1 395 . 1 . 1 74 74 TRP N N 15 118.693 0.009 . 1 . . . . . 452 TRP N . 53939 1 396 . 1 . 1 74 74 TRP NE1 N 15 129.978 0.000 . 1 . . . . . 452 TRP NE1 . 53939 1 397 . 1 . 1 75 75 ALA H H 1 7.675 0.001 . 1 . . . . . 453 ALA H . 53939 1 398 . 1 . 1 75 75 ALA C C 13 177.812 0.004 . 1 . . . . . 453 ALA C . 53939 1 399 . 1 . 1 75 75 ALA CA C 13 52.631 0.000 . 1 . . . . . 453 ALA CA . 53939 1 400 . 1 . 1 75 75 ALA CB C 13 19.072 0.000 . 1 . . . . . 453 ALA CB . 53939 1 401 . 1 . 1 75 75 ALA N N 15 124.338 0.009 . 1 . . . . . 453 ALA N . 53939 1 402 . 1 . 1 76 76 SER H H 1 7.977 0.002 . 1 . . . . . 454 SER H . 53939 1 403 . 1 . 1 76 76 SER C C 13 174.903 0.004 . 1 . . . . . 454 SER C . 53939 1 404 . 1 . 1 76 76 SER CA C 13 58.989 0.000 . 1 . . . . . 454 SER CA . 53939 1 405 . 1 . 1 76 76 SER CB C 13 63.265 0.000 . 1 . . . . . 454 SER CB . 53939 1 406 . 1 . 1 76 76 SER N N 15 114.191 0.009 . 1 . . . . . 454 SER N . 53939 1 407 . 1 . 1 77 77 CYS H H 1 8.157 0.001 . 1 . . . . . 455 CYS H . 53939 1 408 . 1 . 1 77 77 CYS C C 13 174.570 0.005 . 1 . . . . . 455 CYS C . 53939 1 409 . 1 . 1 77 77 CYS CA C 13 58.430 0.000 . 1 . . . . . 455 CYS CA . 53939 1 410 . 1 . 1 77 77 CYS CB C 13 27.838 0.000 . 1 . . . . . 455 CYS CB . 53939 1 411 . 1 . 1 77 77 CYS N N 15 119.958 0.015 . 1 . . . . . 455 CYS N . 53939 1 412 . 1 . 1 78 78 LEU H H 1 8.052 0.002 . 1 . . . . . 456 LEU H . 53939 1 413 . 1 . 1 78 78 LEU C C 13 177.236 0.002 . 1 . . . . . 456 LEU C . 53939 1 414 . 1 . 1 78 78 LEU CA C 13 55.390 0.000 . 1 . . . . . 456 LEU CA . 53939 1 415 . 1 . 1 78 78 LEU CB C 13 42.283 0.000 . 1 . . . . . 456 LEU CB . 53939 1 416 . 1 . 1 78 78 LEU CG C 13 26.951 0.000 . 1 . . . . . 456 LEU CG . 53939 1 417 . 1 . 1 78 78 LEU N N 15 123.347 0.010 . 1 . . . . . 456 LEU N . 53939 1 418 . 1 . 1 79 79 LYS H H 1 8.155 0.002 . 1 . . . . . 457 LYS H . 53939 1 419 . 1 . 1 79 79 LYS C C 13 176.191 0.004 . 1 . . . . . 457 LYS C . 53939 1 420 . 1 . 1 79 79 LYS CA C 13 56.008 0.000 . 1 . . . . . 457 LYS CA . 53939 1 421 . 1 . 1 79 79 LYS CB C 13 33.122 0.000 . 1 . . . . . 457 LYS CB . 53939 1 422 . 1 . 1 79 79 LYS CG C 13 24.933 0.000 . 1 . . . . . 457 LYS CG . 53939 1 423 . 1 . 1 79 79 LYS CD C 13 29.172 0.000 . 1 . . . . . 457 LYS CD . 53939 1 424 . 1 . 1 79 79 LYS N N 15 121.138 0.011 . 1 . . . . . 457 LYS N . 53939 1 425 . 1 . 1 80 80 SER H H 1 8.121 0.002 . 1 . . . . . 458 SER H . 53939 1 426 . 1 . 1 80 80 SER C C 13 172.606 0.003 . 1 . . . . . 458 SER C . 53939 1 427 . 1 . 1 80 80 SER N N 15 117.537 0.020 . 1 . . . . . 458 SER N . 53939 1 428 . 1 . 1 81 81 PRO C C 13 176.735 0.001 . 1 . . . . . 459 PRO C . 53939 1 429 . 1 . 1 81 81 PRO CA C 13 63.088 0.000 . 1 . . . . . 459 PRO CA . 53939 1 430 . 1 . 1 81 81 PRO CB C 13 32.055 0.000 . 1 . . . . . 459 PRO CB . 53939 1 431 . 1 . 1 81 81 PRO CG C 13 27.202 0.000 . 1 . . . . . 459 PRO CG . 53939 1 432 . 1 . 1 81 81 PRO N N 15 138.046 0.000 . 5 . . . . . 459 PRO N . 53939 1 433 . 1 . 1 82 82 ARG H H 1 8.327 0.001 . 1 . . . . . 460 ARG H . 53939 1 434 . 1 . 1 82 82 ARG C C 13 176.240 0.002 . 1 . . . . . 460 ARG C . 53939 1 435 . 1 . 1 82 82 ARG CA C 13 56.185 0.000 . 1 . . . . . 460 ARG CA . 53939 1 436 . 1 . 1 82 82 ARG CB C 13 30.710 0.000 . 1 . . . . . 460 ARG CB . 53939 1 437 . 1 . 1 82 82 ARG CG C 13 27.235 0.000 . 1 . . . . . 460 ARG CG . 53939 1 438 . 1 . 1 82 82 ARG CD C 13 43.412 0.000 . 1 . . . . . 460 ARG CD . 53939 1 439 . 1 . 1 82 82 ARG N N 15 121.067 0.033 . 1 . . . . . 460 ARG N . 53939 1 440 . 1 . 1 83 83 ILE H H 1 8.119 0.003 . 1 . . . . . 461 ILE H . 53939 1 441 . 1 . 1 83 83 ILE C C 13 176.013 0.004 . 1 . . . . . 461 ILE C . 53939 1 442 . 1 . 1 83 83 ILE CA C 13 60.962 0.000 . 1 . . . . . 461 ILE CA . 53939 1 443 . 1 . 1 83 83 ILE CB C 13 38.820 0.000 . 1 . . . . . 461 ILE CB . 53939 1 444 . 1 . 1 83 83 ILE CG1 C 13 27.420 0.000 . 1 . . . . . 461 ILE CG1 . 53939 1 445 . 1 . 1 83 83 ILE CG2 C 13 17.520 0.000 . 1 . . . . . 461 ILE CG2 . 53939 1 446 . 1 . 1 83 83 ILE N N 15 122.347 0.015 . 1 . . . . . 461 ILE N . 53939 1 447 . 1 . 1 84 84 GLN H H 1 8.434 0.003 . 1 . . . . . 462 GLN H . 53939 1 448 . 1 . 1 84 84 GLN C C 13 175.254 0.001 . 1 . . . . . 462 GLN C . 53939 1 449 . 1 . 1 84 84 GLN CA C 13 55.414 0.000 . 1 . . . . . 462 GLN CA . 53939 1 450 . 1 . 1 84 84 GLN CB C 13 30.095 0.000 . 1 . . . . . 462 GLN CB . 53939 1 451 . 1 . 1 84 84 GLN CG C 13 33.873 0.000 . 1 . . . . . 462 GLN CG . 53939 1 452 . 1 . 1 84 84 GLN N N 15 125.065 0.017 . 1 . . . . . 462 GLN N . 53939 1 453 . 1 . 1 85 85 ALA H H 1 8.328 0.002 . 1 . . . . . 463 ALA H . 53939 1 454 . 1 . 1 85 85 ALA C C 13 177.243 0.003 . 1 . . . . . 463 ALA C . 53939 1 455 . 1 . 1 85 85 ALA CA C 13 52.227 0.000 . 1 . . . . . 463 ALA CA . 53939 1 456 . 1 . 1 85 85 ALA CB C 13 19.547 0.000 . 1 . . . . . 463 ALA CB . 53939 1 457 . 1 . 1 85 85 ALA N N 15 126.279 0.009 . 1 . . . . . 463 ALA N . 53939 1 458 . 1 . 1 86 86 LYS H H 1 8.306 0.002 . 1 . . . . . 464 LYS H . 53939 1 459 . 1 . 1 86 86 LYS C C 13 174.425 0.003 . 1 . . . . . 464 LYS C . 53939 1 460 . 1 . 1 86 86 LYS N N 15 122.319 0.013 . 1 . . . . . 464 LYS N . 53939 1 461 . 1 . 1 87 87 PRO C C 13 176.577 0.003 . 5 . . . . . 465 PRO C . 53939 1 462 . 1 . 1 87 87 PRO CA C 13 62.664 0.000 . 5 . . . . . 465 PRO CA . 53939 1 463 . 1 . 1 87 87 PRO CB C 13 32.068 0.000 . 5 . . . . . 465 PRO CB . 53939 1 464 . 1 . 1 87 87 PRO CG C 13 27.266 0.000 . 5 . . . . . 465 PRO CG . 53939 1 465 . 1 . 1 87 87 PRO CD C 13 50.535 0.000 . 5 . . . . . 465 PRO CD . 53939 1 466 . 1 . 1 87 87 PRO N N 15 137.085 0.000 . 5 . . . . . 465 PRO N . 53939 1 467 . 1 . 1 88 88 LYS H H 1 8.404 0.002 . 5 . . . . . 466 LYS H . 53939 1 468 . 1 . 1 88 88 LYS C C 13 174.796 0.001 . 5 . . . . . 466 LYS C . 53939 1 469 . 1 . 1 88 88 LYS N N 15 122.968 0.010 . 5 . . . . . 466 LYS N . 53939 1 470 . 1 . 1 89 89 PRO C C 13 176.545 0.002 . 5 . . . . . 467 PRO C . 53939 1 471 . 1 . 1 89 89 PRO CA C 13 62.621 0.000 . 5 . . . . . 467 PRO CA . 53939 1 472 . 1 . 1 89 89 PRO CB C 13 32.051 0.000 . 5 . . . . . 467 PRO CB . 53939 1 473 . 1 . 1 89 89 PRO CG C 13 27.236 0.000 . 5 . . . . . 467 PRO CG . 53939 1 474 . 1 . 1 89 89 PRO CD C 13 50.584 0.000 . 5 . . . . . 467 PRO CD . 53939 1 475 . 1 . 1 89 89 PRO N N 15 136.564 0.000 . 5 . . . . . 467 PRO N . 53939 1 476 . 1 . 1 90 90 LYS H H 1 8.426 0.002 . 5 . . . . . 468 LYS H . 53939 1 477 . 1 . 1 90 90 LYS C C 13 174.624 0.002 . 5 . . . . . 468 LYS C . 53939 1 478 . 1 . 1 90 90 LYS N N 15 123.292 0.006 . 5 . . . . . 468 LYS N . 53939 1 479 . 1 . 1 91 91 PRO C C 13 176.676 0.006 . 1 . . . . . 469 PRO C . 53939 1 480 . 1 . 1 91 91 PRO CA C 13 63.041 0.000 . 1 . . . . . 469 PRO CA . 53939 1 481 . 1 . 1 91 91 PRO CB C 13 32.029 0.000 . 1 . . . . . 469 PRO CB . 53939 1 482 . 1 . 1 91 91 PRO CG C 13 27.284 0.000 . 1 . . . . . 469 PRO CG . 53939 1 483 . 1 . 1 91 91 PRO N N 15 137.022 0.000 . 1 . . . . . 469 PRO N . 53939 1 484 . 1 . 1 92 92 ASN H H 1 8.517 0.003 . 1 . . . . . 470 ASN H . 53939 1 485 . 1 . 1 92 92 ASN C C 13 175.257 0.004 . 1 . . . . . 470 ASN C . 53939 1 486 . 1 . 1 92 92 ASN CB C 13 38.655 0.000 . 1 . . . . . 470 ASN CB . 53939 1 487 . 1 . 1 92 92 ASN N N 15 118.426 0.021 . 1 . . . . . 470 ASN N . 53939 1 488 . 1 . 1 93 93 GLN H H 1 8.331 0.001 . 1 . . . . . 471 GLN H . 53939 1 489 . 1 . 1 93 93 GLN C C 13 175.525 0.004 . 1 . . . . . 471 GLN C . 53939 1 490 . 1 . 1 93 93 GLN CA C 13 56.012 0.000 . 1 . . . . . 471 GLN CA . 53939 1 491 . 1 . 1 93 93 GLN CB C 13 29.496 0.000 . 1 . . . . . 471 GLN CB . 53939 1 492 . 1 . 1 93 93 GLN CG C 13 34.012 0.000 . 1 . . . . . 471 GLN CG . 53939 1 493 . 1 . 1 93 93 GLN N N 15 120.673 0.028 . 1 . . . . . 471 GLN N . 53939 1 494 . 1 . 1 94 94 ASN H H 1 8.530 0.001 . 1 . . . . . 472 ASN H . 53939 1 495 . 1 . 1 94 94 ASN C C 13 175.278 0.004 . 1 . . . . . 472 ASN C . 53939 1 496 . 1 . 1 94 94 ASN CA C 13 53.864 0.000 . 1 . . . . . 472 ASN CA . 53939 1 497 . 1 . 1 94 94 ASN CB C 13 38.665 0.000 . 1 . . . . . 472 ASN CB . 53939 1 498 . 1 . 1 94 94 ASN N N 15 119.756 0.012 . 1 . . . . . 472 ASN N . 53939 1 499 . 1 . 1 95 95 LEU H H 1 8.251 0.002 . 1 . . . . . 473 LEU H . 53939 1 500 . 1 . 1 95 95 LEU C C 13 177.612 0.005 . 1 . . . . . 473 LEU C . 53939 1 501 . 1 . 1 95 95 LEU CA C 13 55.353 0.000 . 1 . . . . . 473 LEU CA . 53939 1 502 . 1 . 1 95 95 LEU CB C 13 42.229 0.000 . 1 . . . . . 473 LEU CB . 53939 1 503 . 1 . 1 95 95 LEU CG C 13 27.053 0.000 . 1 . . . . . 473 LEU CG . 53939 1 504 . 1 . 1 95 95 LEU CD1 C 13 23.390 0.000 . 1 . . . . . 473 LEU CD1 . 53939 1 505 . 1 . 1 95 95 LEU CD2 C 13 23.390 0.000 . 1 . . . . . 473 LEU CD2 . 53939 1 506 . 1 . 1 95 95 LEU N N 15 122.823 0.023 . 1 . . . . . 473 LEU N . 53939 1 507 . 1 . 1 96 96 SER H H 1 8.282 0.002 . 1 . . . . . 474 SER H . 53939 1 508 . 1 . 1 96 96 SER C C 13 174.837 0.004 . 1 . . . . . 474 SER C . 53939 1 509 . 1 . 1 96 96 SER CA C 13 58.872 0.000 . 1 . . . . . 474 SER CA . 53939 1 510 . 1 . 1 96 96 SER CB C 13 63.444 0.000 . 1 . . . . . 474 SER CB . 53939 1 511 . 1 . 1 96 96 SER N N 15 116.177 0.028 . 1 . . . . . 474 SER N . 53939 1 512 . 1 . 1 97 97 GLU H H 1 8.341 0.002 . 1 . . . . . 475 GLU H . 53939 1 513 . 1 . 1 97 97 GLU C C 13 176.512 0.001 . 1 . . . . . 475 GLU C . 53939 1 514 . 1 . 1 97 97 GLU CA C 13 56.791 0.000 . 1 . . . . . 475 GLU CA . 53939 1 515 . 1 . 1 97 97 GLU CB C 13 30.322 0.000 . 1 . . . . . 475 GLU CB . 53939 1 516 . 1 . 1 97 97 GLU CG C 13 36.353 0.000 . 1 . . . . . 475 GLU CG . 53939 1 517 . 1 . 1 97 97 GLU N N 15 122.680 0.010 . 1 . . . . . 475 GLU N . 53939 1 518 . 1 . 1 98 98 ALA H H 1 8.246 0.001 . 1 . . . . . 476 ALA H . 53939 1 519 . 1 . 1 98 98 ALA C C 13 177.924 0.005 . 1 . . . . . 476 ALA C . 53939 1 520 . 1 . 1 98 98 ALA CA C 13 52.717 0.000 . 1 . . . . . 476 ALA CA . 53939 1 521 . 1 . 1 98 98 ALA CB C 13 19.285 0.000 . 1 . . . . . 476 ALA CB . 53939 1 522 . 1 . 1 98 98 ALA N N 15 124.423 0.008 . 1 . . . . . 476 ALA N . 53939 1 523 . 1 . 1 99 99 SER H H 1 8.201 0.002 . 1 . . . . . 477 SER H . 53939 1 524 . 1 . 1 99 99 SER C C 13 175.201 0.012 . 1 . . . . . 477 SER C . 53939 1 525 . 1 . 1 99 99 SER CA C 13 58.756 0.000 . 1 . . . . . 477 SER CA . 53939 1 526 . 1 . 1 99 99 SER CB C 13 63.527 0.000 . 1 . . . . . 477 SER CB . 53939 1 527 . 1 . 1 99 99 SER N N 15 114.574 0.016 . 1 . . . . . 477 SER N . 53939 1 528 . 1 . 1 100 100 GLY H H 1 8.366 0.004 . 1 . . . . . 478 GLY H . 53939 1 529 . 1 . 1 100 100 GLY C C 13 174.405 0.004 . 1 . . . . . 478 GLY C . 53939 1 530 . 1 . 1 100 100 GLY CA C 13 45.740 0.000 . 1 . . . . . 478 GLY CA . 53939 1 531 . 1 . 1 100 100 GLY N N 15 110.587 0.010 . 1 . . . . . 478 GLY N . 53939 1 532 . 1 . 1 101 101 LYS H H 1 8.210 0.003 . 1 . . . . . 479 LYS H . 53939 1 533 . 1 . 1 101 101 LYS C C 13 177.378 0.006 . 1 . . . . . 479 LYS C . 53939 1 534 . 1 . 1 101 101 LYS CA C 13 56.629 0.000 . 1 . . . . . 479 LYS CA . 53939 1 535 . 1 . 1 101 101 LYS CB C 13 32.928 0.000 . 1 . . . . . 479 LYS CB . 53939 1 536 . 1 . 1 101 101 LYS CG C 13 24.750 0.000 . 1 . . . . . 479 LYS CG . 53939 1 537 . 1 . 1 101 101 LYS CD C 13 29.026 0.000 . 1 . . . . . 479 LYS CD . 53939 1 538 . 1 . 1 101 101 LYS N N 15 120.841 0.044 . 1 . . . . . 479 LYS N . 53939 1 539 . 1 . 1 102 102 GLY H H 1 8.534 0.002 . 1 . . . . . 480 GLY H . 53939 1 540 . 1 . 1 102 102 GLY C C 13 174.440 0.001 . 1 . . . . . 480 GLY C . 53939 1 541 . 1 . 1 102 102 GLY CA C 13 45.833 0.000 . 1 . . . . . 480 GLY CA . 53939 1 542 . 1 . 1 102 102 GLY N N 15 110.031 0.026 . 1 . . . . . 480 GLY N . 53939 1 543 . 1 . 1 103 103 ALA H H 1 8.138 0.002 . 1 . . . . . 481 ALA H . 53939 1 544 . 1 . 1 103 103 ALA C C 13 178.454 0.001 . 1 . . . . . 481 ALA C . 53939 1 545 . 1 . 1 103 103 ALA CA C 13 53.125 0.000 . 1 . . . . . 481 ALA CA . 53939 1 546 . 1 . 1 103 103 ALA CB C 13 19.133 0.000 . 1 . . . . . 481 ALA CB . 53939 1 547 . 1 . 1 103 103 ALA N N 15 123.825 0.016 . 1 . . . . . 481 ALA N . 53939 1 548 . 1 . 1 104 104 GLU H H 1 8.461 0.001 . 1 . . . . . 482 GLU H . 53939 1 549 . 1 . 1 104 104 GLU C C 13 177.075 0.003 . 1 . . . . . 482 GLU C . 53939 1 550 . 1 . 1 104 104 GLU CA C 13 57.347 0.000 . 1 . . . . . 482 GLU CA . 53939 1 551 . 1 . 1 104 104 GLU CB C 13 29.547 0.000 . 1 . . . . . 482 GLU CB . 53939 1 552 . 1 . 1 104 104 GLU CG C 13 36.357 0.000 . 1 . . . . . 482 GLU CG . 53939 1 553 . 1 . 1 104 104 GLU N N 15 119.632 0.009 . 1 . . . . . 482 GLU N . 53939 1 554 . 1 . 1 105 105 LEU H H 1 8.022 0.002 . 1 . . . . . 483 LEU H . 53939 1 555 . 1 . 1 105 105 LEU C C 13 177.720 0.003 . 1 . . . . . 483 LEU C . 53939 1 556 . 1 . 1 105 105 LEU CA C 13 56.064 0.000 . 1 . . . . . 483 LEU CA . 53939 1 557 . 1 . 1 105 105 LEU CB C 13 42.154 0.000 . 1 . . . . . 483 LEU CB . 53939 1 558 . 1 . 1 105 105 LEU CG C 13 27.058 0.000 . 1 . . . . . 483 LEU CG . 53939 1 559 . 1 . 1 105 105 LEU CD1 C 13 24.649 0.000 . 1 . . . . . 483 LEU CD1 . 53939 1 560 . 1 . 1 105 105 LEU CD2 C 13 23.828 0.000 . 1 . . . . . 483 LEU CD2 . 53939 1 561 . 1 . 1 105 105 LEU N N 15 121.803 0.009 . 1 . . . . . 483 LEU N . 53939 1 562 . 1 . 1 106 106 TYR H H 1 7.930 0.002 . 1 . . . . . 484 TYR H . 53939 1 563 . 1 . 1 106 106 TYR C C 13 176.105 0.002 . 1 . . . . . 484 TYR C . 53939 1 564 . 1 . 1 106 106 TYR CA C 13 57.975 0.000 . 1 . . . . . 484 TYR CA . 53939 1 565 . 1 . 1 106 106 TYR CB C 13 38.491 0.000 . 1 . . . . . 484 TYR CB . 53939 1 566 . 1 . 1 106 106 TYR N N 15 119.224 0.014 . 1 . . . . . 484 TYR N . 53939 1 567 . 1 . 1 107 107 ALA H H 1 8.007 0.002 . 1 . . . . . 485 ALA H . 53939 1 568 . 1 . 1 107 107 ALA C C 13 178.076 0.002 . 1 . . . . . 485 ALA C . 53939 1 569 . 1 . 1 107 107 ALA CA C 13 53.008 0.000 . 1 . . . . . 485 ALA CA . 53939 1 570 . 1 . 1 107 107 ALA CB C 13 19.077 0.000 . 1 . . . . . 485 ALA CB . 53939 1 571 . 1 . 1 107 107 ALA N N 15 123.771 0.017 . 1 . . . . . 485 ALA N . 53939 1 572 . 1 . 1 108 108 ARG H H 1 8.084 0.002 . 1 . . . . . 486 ARG H . 53939 1 573 . 1 . 1 108 108 ARG C C 13 176.809 0.002 . 1 . . . . . 486 ARG C . 53939 1 574 . 1 . 1 108 108 ARG CA C 13 56.470 0.000 . 1 . . . . . 486 ARG CA . 53939 1 575 . 1 . 1 108 108 ARG CB C 13 30.555 0.000 . 1 . . . . . 486 ARG CB . 53939 1 576 . 1 . 1 108 108 ARG CG C 13 27.241 0.000 . 1 . . . . . 486 ARG CG . 53939 1 577 . 1 . 1 108 108 ARG CD C 13 43.439 0.000 . 1 . . . . . 486 ARG CD . 53939 1 578 . 1 . 1 108 108 ARG N N 15 119.315 0.015 . 1 . . . . . 486 ARG N . 53939 1 579 . 1 . 1 109 109 ARG H H 1 8.212 0.002 . 1 . . . . . 487 ARG H . 53939 1 580 . 1 . 1 109 109 ARG C C 13 176.632 0.006 . 1 . . . . . 487 ARG C . 53939 1 581 . 1 . 1 109 109 ARG CA C 13 56.666 0.000 . 1 . . . . . 487 ARG CA . 53939 1 582 . 1 . 1 109 109 ARG CB C 13 30.622 0.000 . 1 . . . . . 487 ARG CB . 53939 1 583 . 1 . 1 109 109 ARG CG C 13 27.236 0.000 . 1 . . . . . 487 ARG CG . 53939 1 584 . 1 . 1 109 109 ARG CD C 13 43.433 0.000 . 1 . . . . . 487 ARG CD . 53939 1 585 . 1 . 1 109 109 ARG N N 15 121.607 0.018 . 1 . . . . . 487 ARG N . 53939 1 586 . 1 . 1 110 110 GLN H H 1 8.366 0.002 . 1 . . . . . 488 GLN H . 53939 1 587 . 1 . 1 110 110 GLN C C 13 176.280 0.006 . 1 . . . . . 488 GLN C . 53939 1 588 . 1 . 1 110 110 GLN CA C 13 56.250 0.000 . 1 . . . . . 488 GLN CA . 53939 1 589 . 1 . 1 110 110 GLN CB C 13 29.309 0.000 . 1 . . . . . 488 GLN CB . 53939 1 590 . 1 . 1 110 110 GLN CG C 13 33.907 0.000 . 1 . . . . . 488 GLN CG . 53939 1 591 . 1 . 1 110 110 GLN N N 15 120.959 0.018 . 1 . . . . . 488 GLN N . 53939 1 592 . 1 . 1 111 111 SER H H 1 8.303 0.002 . 1 . . . . . 489 SER H . 53939 1 593 . 1 . 1 111 111 SER C C 13 174.692 0.004 . 1 . . . . . 489 SER C . 53939 1 594 . 1 . 1 111 111 SER CB C 13 63.488 0.000 . 1 . . . . . 489 SER CB . 53939 1 595 . 1 . 1 111 111 SER N N 15 116.870 0.013 . 1 . . . . . 489 SER N . 53939 1 596 . 1 . 1 112 112 ARG H H 1 8.314 0.006 . 1 . . . . . 490 ARG H . 53939 1 597 . 1 . 1 112 112 ARG C C 13 176.410 0.005 . 1 . . . . . 490 ARG C . 53939 1 598 . 1 . 1 112 112 ARG CA C 13 56.542 0.000 . 1 . . . . . 490 ARG CA . 53939 1 599 . 1 . 1 112 112 ARG CB C 13 30.569 0.000 . 1 . . . . . 490 ARG CB . 53939 1 600 . 1 . 1 112 112 ARG CG C 13 27.177 0.000 . 1 . . . . . 490 ARG CG . 53939 1 601 . 1 . 1 112 112 ARG CD C 13 43.299 0.000 . 1 . . . . . 490 ARG CD . 53939 1 602 . 1 . 1 112 112 ARG N N 15 122.364 0.027 . 1 . . . . . 490 ARG N . 53939 1 603 . 1 . 1 113 113 MET H H 1 8.281 0.002 . 1 . . . . . 491 MET H . 53939 1 604 . 1 . 1 113 113 MET C C 13 176.341 0.010 . 1 . . . . . 491 MET C . 53939 1 605 . 1 . 1 113 113 MET CA C 13 55.701 0.000 . 1 . . . . . 491 MET CA . 53939 1 606 . 1 . 1 113 113 MET CB C 13 33.021 0.000 . 1 . . . . . 491 MET CB . 53939 1 607 . 1 . 1 113 113 MET CG C 13 32.221 0.000 . 1 . . . . . 491 MET CG . 53939 1 608 . 1 . 1 113 113 MET N N 15 120.584 0.025 . 1 . . . . . 491 MET N . 53939 1 609 . 1 . 1 114 114 GLU H H 1 8.307 0.002 . 1 . . . . . 492 GLU H . 53939 1 610 . 1 . 1 114 114 GLU C C 13 176.363 0.007 . 1 . . . . . 492 GLU C . 53939 1 611 . 1 . 1 114 114 GLU N N 15 121.833 0.022 . 1 . . . . . 492 GLU N . 53939 1 612 . 1 . 1 115 115 LYS H H 1 8.171 0.002 . 1 . . . . . 493 LYS H . 53939 1 613 . 1 . 1 115 115 LYS C C 13 176.077 0.006 . 1 . . . . . 493 LYS C . 53939 1 614 . 1 . 1 115 115 LYS CA C 13 56.698 0.000 . 1 . . . . . 493 LYS CA . 53939 1 615 . 1 . 1 115 115 LYS CB C 13 33.083 0.000 . 1 . . . . . 493 LYS CB . 53939 1 616 . 1 . 1 115 115 LYS CG C 13 24.732 0.000 . 1 . . . . . 493 LYS CG . 53939 1 617 . 1 . 1 115 115 LYS CD C 13 29.164 0.000 . 1 . . . . . 493 LYS CD . 53939 1 618 . 1 . 1 115 115 LYS N N 15 121.125 0.013 . 1 . . . . . 493 LYS N . 53939 1 619 . 1 . 1 116 116 TYR H H 1 8.076 0.002 . 1 . . . . . 494 TYR H . 53939 1 620 . 1 . 1 116 116 TYR C C 13 175.545 0.004 . 1 . . . . . 494 TYR C . 53939 1 621 . 1 . 1 116 116 TYR CA C 13 58.386 0.000 . 1 . . . . . 494 TYR CA . 53939 1 622 . 1 . 1 116 116 TYR CB C 13 38.785 0.000 . 1 . . . . . 494 TYR CB . 53939 1 623 . 1 . 1 116 116 TYR N N 15 120.837 0.014 . 1 . . . . . 494 TYR N . 53939 1 624 . 1 . 1 117 117 VAL H H 1 7.980 0.002 . 1 . . . . . 495 VAL H . 53939 1 625 . 1 . 1 117 117 VAL C C 13 175.773 0.002 . 1 . . . . . 495 VAL C . 53939 1 626 . 1 . 1 117 117 VAL CA C 13 62.499 0.000 . 1 . . . . . 495 VAL CA . 53939 1 627 . 1 . 1 117 117 VAL CB C 13 33.119 0.000 . 1 . . . . . 495 VAL CB . 53939 1 628 . 1 . 1 117 117 VAL CG1 C 13 21.105 0.000 . 1 . . . . . 495 VAL CG1 . 53939 1 629 . 1 . 1 117 117 VAL CG2 C 13 21.105 0.000 . 1 . . . . . 495 VAL CG2 . 53939 1 630 . 1 . 1 117 117 VAL N N 15 122.577 0.008 . 1 . . . . . 495 VAL N . 53939 1 631 . 1 . 1 118 118 ILE H H 1 8.136 0.003 . 1 . . . . . 496 ILE H . 53939 1 632 . 1 . 1 118 118 ILE C C 13 176.386 0.002 . 1 . . . . . 496 ILE C . 53939 1 633 . 1 . 1 118 118 ILE CA C 13 61.205 0.000 . 1 . . . . . 496 ILE CA . 53939 1 634 . 1 . 1 118 118 ILE CB C 13 38.421 0.000 . 1 . . . . . 496 ILE CB . 53939 1 635 . 1 . 1 118 118 ILE CG1 C 13 27.465 0.000 . 1 . . . . . 496 ILE CG1 . 53939 1 636 . 1 . 1 118 118 ILE CG2 C 13 17.262 0.000 . 1 . . . . . 496 ILE CG2 . 53939 1 637 . 1 . 1 118 118 ILE N N 15 124.696 0.017 . 1 . . . . . 496 ILE N . 53939 1 638 . 1 . 1 119 119 GLU H H 1 8.494 0.002 . 1 . . . . . 497 GLU H . 53939 1 639 . 1 . 1 119 119 GLU C C 13 176.573 0.006 . 1 . . . . . 497 GLU C . 53939 1 640 . 1 . 1 119 119 GLU CA C 13 56.698 0.000 . 1 . . . . . 497 GLU CA . 53939 1 641 . 1 . 1 119 119 GLU CB C 13 30.169 0.000 . 1 . . . . . 497 GLU CB . 53939 1 642 . 1 . 1 119 119 GLU CG C 13 36.321 0.000 . 1 . . . . . 497 GLU CG . 53939 1 643 . 1 . 1 119 119 GLU N N 15 125.286 0.016 . 1 . . . . . 497 GLU N . 53939 1 644 . 1 . 1 120 120 SER H H 1 8.354 0.002 . 1 . . . . . 498 SER H . 53939 1 645 . 1 . 1 120 120 SER C C 13 174.793 0.002 . 1 . . . . . 498 SER C . 53939 1 646 . 1 . 1 120 120 SER CA C 13 58.519 0.000 . 1 . . . . . 498 SER CA . 53939 1 647 . 1 . 1 120 120 SER CB C 13 63.488 0.000 . 1 . . . . . 498 SER CB . 53939 1 648 . 1 . 1 120 120 SER N N 15 117.020 0.006 . 1 . . . . . 498 SER N . 53939 1 649 . 1 . 1 121 121 SER H H 1 8.345 0.002 . 1 . . . . . 499 SER H . 53939 1 650 . 1 . 1 121 121 SER C C 13 174.595 0.006 . 1 . . . . . 499 SER C . 53939 1 651 . 1 . 1 121 121 SER CA C 13 58.662 0.000 . 1 . . . . . 499 SER CA . 53939 1 652 . 1 . 1 121 121 SER CB C 13 63.335 0.000 . 1 . . . . . 499 SER CB . 53939 1 653 . 1 . 1 121 121 SER N N 15 117.768 0.024 . 1 . . . . . 499 SER N . 53939 1 654 . 1 . 1 122 122 SER H H 1 8.239 0.002 . 1 . . . . . 500 SER H . 53939 1 655 . 1 . 1 122 122 SER N N 15 117.117 0.013 . 1 . . . . . 500 SER N . 53939 1 656 . 1 . 1 123 123 HIS C C 13 174.626 0.004 . 1 . . . . . 501 HIS C . 53939 1 657 . 1 . 1 123 123 HIS CA C 13 55.277 0.000 . 1 . . . . . 501 HIS CA . 53939 1 658 . 1 . 1 123 123 HIS CB C 13 30.071 0.000 . 1 . . . . . 501 HIS CB . 53939 1 659 . 1 . 1 124 124 THR H H 1 8.134 0.003 . 1 . . . . . 502 THR H . 53939 1 660 . 1 . 1 124 124 THR C C 13 172.786 0.007 . 1 . . . . . 502 THR C . 53939 1 661 . 1 . 1 124 124 THR N N 15 118.098 0.009 . 1 . . . . . 502 THR N . 53939 1 662 . 1 . 1 125 125 PRO C C 13 176.919 0.006 . 1 . . . . . 503 PRO C . 53939 1 663 . 1 . 1 125 125 PRO CA C 13 63.478 0.000 . 1 . . . . . 503 PRO CA . 53939 1 664 . 1 . 1 125 125 PRO CB C 13 32.072 0.000 . 1 . . . . . 503 PRO CB . 53939 1 665 . 1 . 1 125 125 PRO CG C 13 27.382 0.000 . 1 . . . . . 503 PRO CG . 53939 1 666 . 1 . 1 125 125 PRO CD C 13 51.117 0.000 . 1 . . . . . 503 PRO CD . 53939 1 667 . 1 . 1 125 125 PRO N N 15 138.674 0.000 . 1 . . . . . 503 PRO N . 53939 1 668 . 1 . 1 126 126 GLU H H 1 8.565 0.001 . 1 . . . . . 504 GLU H . 53939 1 669 . 1 . 1 126 126 GLU C C 13 176.628 0.004 . 1 . . . . . 504 GLU C . 53939 1 670 . 1 . 1 126 126 GLU CA C 13 56.907 0.000 . 1 . . . . . 504 GLU CA . 53939 1 671 . 1 . 1 126 126 GLU CB C 13 30.388 0.000 . 1 . . . . . 504 GLU CB . 53939 1 672 . 1 . 1 126 126 GLU CG C 13 36.357 0.000 . 1 . . . . . 504 GLU CG . 53939 1 673 . 1 . 1 126 126 GLU N N 15 121.039 0.043 . 1 . . . . . 504 GLU N . 53939 1 674 . 1 . 1 127 127 LEU H H 1 8.148 0.002 . 1 . . . . . 505 LEU H . 53939 1 675 . 1 . 1 127 127 LEU C C 13 177.093 0.002 . 1 . . . . . 505 LEU C . 53939 1 676 . 1 . 1 127 127 LEU CA C 13 55.160 0.000 . 1 . . . . . 505 LEU CA . 53939 1 677 . 1 . 1 127 127 LEU CB C 13 42.408 0.000 . 1 . . . . . 505 LEU CB . 53939 1 678 . 1 . 1 127 127 LEU CD1 C 13 27.199 0.000 . 1 . . . . . 505 LEU CD1 . 53939 1 679 . 1 . 1 127 127 LEU CD2 C 13 23.644 0.000 . 1 . . . . . 505 LEU CD2 . 53939 1 680 . 1 . 1 127 127 LEU N N 15 123.076 0.010 . 1 . . . . . 505 LEU N . 53939 1 681 . 1 . 1 128 128 ALA H H 1 8.183 0.002 . 1 . . . . . 506 ALA H . 53939 1 682 . 1 . 1 128 128 ALA C C 13 177.491 0.002 . 1 . . . . . 506 ALA C . 53939 1 683 . 1 . 1 128 128 ALA CA C 13 52.407 0.000 . 1 . . . . . 506 ALA CA . 53939 1 684 . 1 . 1 128 128 ALA CB C 13 19.305 0.000 . 1 . . . . . 506 ALA CB . 53939 1 685 . 1 . 1 128 128 ALA N N 15 124.412 0.015 . 1 . . . . . 506 ALA N . 53939 1 686 . 1 . 1 129 129 ARG H H 1 8.177 0.002 . 1 . . . . . 507 ARG H . 53939 1 687 . 1 . 1 129 129 ARG C C 13 175.957 0.006 . 1 . . . . . 507 ARG C . 53939 1 688 . 1 . 1 129 129 ARG CA C 13 55.809 0.000 . 1 . . . . . 507 ARG CA . 53939 1 689 . 1 . 1 129 129 ARG CB C 13 30.926 0.000 . 1 . . . . . 507 ARG CB . 53939 1 690 . 1 . 1 129 129 ARG CG C 13 27.263 0.000 . 1 . . . . . 507 ARG CG . 53939 1 691 . 1 . 1 129 129 ARG CD C 13 43.460 0.000 . 1 . . . . . 507 ARG CD . 53939 1 692 . 1 . 1 129 129 ARG N N 15 119.933 0.010 . 1 . . . . . 507 ARG N . 53939 1 693 . 1 . 1 130 130 CYS H H 1 8.347 0.001 . 1 . . . . . 508 CYS H . 53939 1 694 . 1 . 1 130 130 CYS C C 13 172.609 0.005 . 1 . . . . . 508 CYS C . 53939 1 695 . 1 . 1 130 130 CYS N N 15 121.912 0.015 . 1 . . . . . 508 CYS N . 53939 1 696 . 1 . 1 131 131 PRO C C 13 176.544 0.004 . 1 . . . . . 509 PRO C . 53939 1 697 . 1 . 1 131 131 PRO CA C 13 62.977 0.000 . 1 . . . . . 509 PRO CA . 53939 1 698 . 1 . 1 131 131 PRO CB C 13 32.066 0.000 . 1 . . . . . 509 PRO CB . 53939 1 699 . 1 . 1 131 131 PRO CG C 13 27.172 0.000 . 1 . . . . . 509 PRO CG . 53939 1 700 . 1 . 1 131 131 PRO N N 15 137.665 0.000 . 5 . . . . . 509 PRO N . 53939 1 701 . 1 . 1 132 132 SER H H 1 8.346 0.003 . 1 . . . . . 510 SER H . 53939 1 702 . 1 . 1 132 132 SER C C 13 173.037 0.004 . 1 . . . . . 510 SER C . 53939 1 703 . 1 . 1 132 132 SER N N 15 117.428 0.021 . 1 . . . . . 510 SER N . 53939 1 704 . 1 . 1 133 133 PRO C C 13 177.147 0.003 . 1 . . . . . 511 PRO C . 53939 1 705 . 1 . 1 133 133 PRO CA C 13 63.486 0.000 . 1 . . . . . 511 PRO CA . 53939 1 706 . 1 . 1 133 133 PRO CB C 13 32.237 0.000 . 1 . . . . . 511 PRO CB . 53939 1 707 . 1 . 1 133 133 PRO CG C 13 27.409 0.000 . 1 . . . . . 511 PRO CG . 53939 1 708 . 1 . 1 133 133 PRO N N 15 138.131 0.000 . 1 . . . . . 511 PRO N . 53939 1 709 . 1 . 1 134 134 THR H H 1 8.165 0.002 . 1 . . . . . 512 THR H . 53939 1 710 . 1 . 1 134 134 THR C C 13 174.558 0.001 . 1 . . . . . 512 THR C . 53939 1 711 . 1 . 1 134 134 THR CA C 13 62.222 0.000 . 1 . . . . . 512 THR CA . 53939 1 712 . 1 . 1 134 134 THR CB C 13 69.541 0.000 . 1 . . . . . 512 THR CB . 53939 1 713 . 1 . 1 134 134 THR CG2 C 13 21.652 0.000 . 1 . . . . . 512 THR CG2 . 53939 1 714 . 1 . 1 134 134 THR N N 15 113.819 0.005 . 1 . . . . . 512 THR N . 53939 1 715 . 1 . 1 135 135 MET H H 1 8.259 0.003 . 1 . . . . . 513 MET H . 53939 1 716 . 1 . 1 135 135 MET C C 13 175.829 0.003 . 1 . . . . . 513 MET C . 53939 1 717 . 1 . 1 135 135 MET CA C 13 55.381 0.000 . 1 . . . . . 513 MET CA . 53939 1 718 . 1 . 1 135 135 MET CB C 13 33.547 0.000 . 1 . . . . . 513 MET CB . 53939 1 719 . 1 . 1 135 135 MET CG C 13 32.023 0.000 . 1 . . . . . 513 MET CG . 53939 1 720 . 1 . 1 135 135 MET N N 15 122.772 0.014 . 1 . . . . . 513 MET N . 53939 1 721 . 1 . 1 136 136 SER H H 1 8.278 0.002 . 1 . . . . . 514 SER H . 53939 1 722 . 1 . 1 136 136 SER C C 13 173.851 0.003 . 1 . . . . . 514 SER C . 53939 1 723 . 1 . 1 136 136 SER CA C 13 58.107 0.000 . 1 . . . . . 514 SER CA . 53939 1 724 . 1 . 1 136 136 SER CB C 13 63.782 0.000 . 1 . . . . . 514 SER CB . 53939 1 725 . 1 . 1 136 136 SER N N 15 117.453 0.025 . 1 . . . . . 514 SER N . 53939 1 726 . 1 . 1 137 137 LEU H H 1 8.271 0.003 . 1 . . . . . 515 LEU H . 53939 1 727 . 1 . 1 137 137 LEU C C 13 175.253 0.000 . 1 . . . . . 515 LEU C . 53939 1 728 . 1 . 1 137 137 LEU N N 15 125.368 0.013 . 1 . . . . . 515 LEU N . 53939 1 729 . 1 . 1 138 138 PRO C C 13 176.888 0.002 . 1 . . . . . 516 PRO C . 53939 1 730 . 1 . 1 138 138 PRO CA C 13 62.963 0.000 . 1 . . . . . 516 PRO CA . 53939 1 731 . 1 . 1 138 138 PRO CB C 13 32.034 0.000 . 1 . . . . . 516 PRO CB . 53939 1 732 . 1 . 1 138 138 PRO CG C 13 27.269 0.000 . 1 . . . . . 516 PRO CG . 53939 1 733 . 1 . 1 138 138 PRO N N 15 136.389 0.000 . 1 . . . . . 516 PRO N . 53939 1 734 . 1 . 1 139 139 SER H H 1 8.418 0.002 . 1 . . . . . 517 SER H . 53939 1 735 . 1 . 1 139 139 SER C C 13 173.804 0.007 . 1 . . . . . 517 SER C . 53939 1 736 . 1 . 1 139 139 SER CA C 13 58.215 0.000 . 1 . . . . . 517 SER CA . 53939 1 737 . 1 . 1 139 139 SER CB C 13 63.690 0.000 . 1 . . . . . 517 SER CB . 53939 1 738 . 1 . 1 139 139 SER N N 15 116.407 0.011 . 1 . . . . . 517 SER N . 53939 1 739 . 1 . 1 140 140 SER H H 1 7.957 0.002 . 1 . . . . . 518 SER H . 53939 1 740 . 1 . 1 140 140 SER C C 13 178.537 0.000 . 1 . . . . . 518 SER C . 53939 1 741 . 1 . 1 140 140 SER N N 15 122.926 0.023 . 1 . . . . . 518 SER N . 53939 1 stop_ save_