data_18652 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18652 _Entry.Title ; Backbone assignment of Bt-Lon alpha sub-domain from Brevibacillus thermoruber ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-09 _Entry.Accession_date 2012-08-09 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yu-Da Chen . . . 18652 2 Chun-Hua Hsu . . . 18652 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18652 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 18652 '15N chemical shifts' 101 18652 '1H chemical shifts' 205 18652 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 . . 2014-04-22 2012-08-09 original author . 18652 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18652 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24531457 _Citation.Full_citation . _Citation.Title 'Structural basis for DNA-mediated allosteric regulation facilitated by the AAA+ module of Lon protease.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr. D Biol. Crystallogr.' _Citation.Journal_name_full 'Acta crystallographica. Section D, Biological crystallography' _Citation.Journal_volume 70 _Citation.Journal_issue 2 _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 218 _Citation.Page_last 230 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Alan Yueh-Luen' Lee . . . 18652 1 2 Yu-Da Chen . . . 18652 1 3 Yu-Yung Chang . . . 18652 1 4 Yu-Ching Lin . . . 18652 1 5 Chi-Fon Chang . . . 18652 1 6 Shing-Jong Huang . . . 18652 1 7 Shih-Hsiung Wu . . . 18652 1 8 Chun-Hua Hsu . . . 18652 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'AAA+ protease' 18652 1 'allosteric regulation' 18652 1 DNA-binding 18652 1 'electrostatic interaction' 18652 1 'Lon protease' 18652 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18652 _Assembly.ID 1 _Assembly.Name 'alpha sub-domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'alpha sub-domain' 1 $alpha_sub-domain A . yes native no no . . . 18652 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_alpha_sub-domain _Entity.Sf_category entity _Entity.Sf_framecode alpha_sub-domain _Entity.Entry_ID 18652 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name alpha_sub-domain _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 ; MAGYTELEKLHIMRDYLLPK QMEEHGLGRDKLQMNEEAML KVIRQYTREAGVRNLNREAA NICRKAARLIVSGEKKRVVV TPKTVESLLGKPRYRYGLAE REDQVGAVTGLAWTQALEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 490,M 491,A 492,G ..... 611,H 612,H 613,H ; _Entity.Polymer_author_seq_details ; N-terminal M (490), and C-termianl LEHHHHHH (606-613) are artifacts sequencing and tag. ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 GB AAO43974.1 . Lon . . . . . . . . . . . . . . 18652 1 2 no PDB 4GIT . "Crystal Structure Of Alpha Sub-domain Of Lon Protease From Brevibacillus Thermoruber" . . . . . 100.00 124 100.00 100.00 6.79e-84 . . . . 18652 1 3 no GB AAO43974 . "Lon protease [Brevibacillus thermoruber]" . . . . . 93.55 779 99.14 100.00 5.90e-71 . . . . 18652 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protease, ATPase, DNA binding protein' 18652 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 1 490 MET . 18652 1 2 491 ALA . 18652 1 3 492 GLY . 18652 1 4 493 TYR . 18652 1 5 494 THR . 18652 1 6 495 GLU . 18652 1 7 496 LEU . 18652 1 8 497 GLU . 18652 1 9 498 LYS . 18652 1 10 499 LEU . 18652 1 11 500 HIS . 18652 1 12 501 ILE . 18652 1 13 502 MET . 18652 1 14 503 ARG . 18652 1 15 504 ASP . 18652 1 16 505 TYR . 18652 1 17 506 LEU . 18652 1 18 507 LEU . 18652 1 19 508 PRO . 18652 1 20 509 LYS . 18652 1 21 510 GLN . 18652 1 22 511 MET . 18652 1 23 512 GLU . 18652 1 24 513 GLU . 18652 1 25 514 HIS . 18652 1 26 515 GLY . 18652 1 27 516 LEU . 18652 1 28 517 GLY . 18652 1 29 518 ARG . 18652 1 30 519 ASP . 18652 1 31 520 LYS . 18652 1 32 521 LEU . 18652 1 33 522 GLN . 18652 1 34 523 MET . 18652 1 35 524 ASN . 18652 1 36 525 GLU . 18652 1 37 526 GLU . 18652 1 38 527 ALA . 18652 1 39 528 MET . 18652 1 40 529 LEU . 18652 1 41 530 LYS . 18652 1 42 531 VAL . 18652 1 43 532 ILE . 18652 1 44 533 ARG . 18652 1 45 534 GLN . 18652 1 46 535 TYR . 18652 1 47 536 THR . 18652 1 48 537 ARG . 18652 1 49 538 GLU . 18652 1 50 539 ALA . 18652 1 51 540 GLY . 18652 1 52 541 VAL . 18652 1 53 542 ARG . 18652 1 54 543 ASN . 18652 1 55 544 LEU . 18652 1 56 545 ASN . 18652 1 57 546 ARG . 18652 1 58 547 GLU . 18652 1 59 548 ALA . 18652 1 60 549 ALA . 18652 1 61 550 ASN . 18652 1 62 551 ILE . 18652 1 63 552 CYS . 18652 1 64 553 ARG . 18652 1 65 554 LYS . 18652 1 66 555 ALA . 18652 1 67 556 ALA . 18652 1 68 557 ARG . 18652 1 69 558 LEU . 18652 1 70 559 ILE . 18652 1 71 560 VAL . 18652 1 72 561 SER . 18652 1 73 562 GLY . 18652 1 74 563 GLU . 18652 1 75 564 LYS . 18652 1 76 565 LYS . 18652 1 77 566 ARG . 18652 1 78 567 VAL . 18652 1 79 568 VAL . 18652 1 80 569 VAL . 18652 1 81 570 THR . 18652 1 82 571 PRO . 18652 1 83 572 LYS . 18652 1 84 573 THR . 18652 1 85 574 VAL . 18652 1 86 575 GLU . 18652 1 87 576 SER . 18652 1 88 577 LEU . 18652 1 89 578 LEU . 18652 1 90 579 GLY . 18652 1 91 580 LYS . 18652 1 92 581 PRO . 18652 1 93 582 ARG . 18652 1 94 583 TYR . 18652 1 95 584 ARG . 18652 1 96 585 TYR . 18652 1 97 586 GLY . 18652 1 98 587 LEU . 18652 1 99 588 ALA . 18652 1 100 589 GLU . 18652 1 101 590 ARG . 18652 1 102 591 GLU . 18652 1 103 592 ASP . 18652 1 104 593 GLN . 18652 1 105 594 VAL . 18652 1 106 595 GLY . 18652 1 107 596 ALA . 18652 1 108 597 VAL . 18652 1 109 598 THR . 18652 1 110 599 GLY . 18652 1 111 600 LEU . 18652 1 112 601 ALA . 18652 1 113 602 TRP . 18652 1 114 603 THR . 18652 1 115 604 GLN . 18652 1 116 605 ALA . 18652 1 117 606 LEU . 18652 1 118 607 GLU . 18652 1 119 608 HIS . 18652 1 120 609 HIS . 18652 1 121 610 HIS . 18652 1 122 611 HIS . 18652 1 123 612 HIS . 18652 1 124 613 HIS . 18652 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18652 1 . ALA 2 2 18652 1 . GLY 3 3 18652 1 . TYR 4 4 18652 1 . THR 5 5 18652 1 . GLU 6 6 18652 1 . LEU 7 7 18652 1 . GLU 8 8 18652 1 . LYS 9 9 18652 1 . LEU 10 10 18652 1 . HIS 11 11 18652 1 . ILE 12 12 18652 1 . MET 13 13 18652 1 . ARG 14 14 18652 1 . ASP 15 15 18652 1 . TYR 16 16 18652 1 . LEU 17 17 18652 1 . LEU 18 18 18652 1 . PRO 19 19 18652 1 . LYS 20 20 18652 1 . GLN 21 21 18652 1 . MET 22 22 18652 1 . GLU 23 23 18652 1 . GLU 24 24 18652 1 . HIS 25 25 18652 1 . GLY 26 26 18652 1 . LEU 27 27 18652 1 . GLY 28 28 18652 1 . ARG 29 29 18652 1 . ASP 30 30 18652 1 . LYS 31 31 18652 1 . LEU 32 32 18652 1 . GLN 33 33 18652 1 . MET 34 34 18652 1 . ASN 35 35 18652 1 . GLU 36 36 18652 1 . GLU 37 37 18652 1 . ALA 38 38 18652 1 . MET 39 39 18652 1 . LEU 40 40 18652 1 . LYS 41 41 18652 1 . VAL 42 42 18652 1 . ILE 43 43 18652 1 . ARG 44 44 18652 1 . GLN 45 45 18652 1 . TYR 46 46 18652 1 . THR 47 47 18652 1 . ARG 48 48 18652 1 . GLU 49 49 18652 1 . ALA 50 50 18652 1 . GLY 51 51 18652 1 . VAL 52 52 18652 1 . ARG 53 53 18652 1 . ASN 54 54 18652 1 . LEU 55 55 18652 1 . ASN 56 56 18652 1 . ARG 57 57 18652 1 . GLU 58 58 18652 1 . ALA 59 59 18652 1 . ALA 60 60 18652 1 . ASN 61 61 18652 1 . ILE 62 62 18652 1 . CYS 63 63 18652 1 . ARG 64 64 18652 1 . LYS 65 65 18652 1 . ALA 66 66 18652 1 . ALA 67 67 18652 1 . ARG 68 68 18652 1 . LEU 69 69 18652 1 . ILE 70 70 18652 1 . VAL 71 71 18652 1 . SER 72 72 18652 1 . GLY 73 73 18652 1 . GLU 74 74 18652 1 . LYS 75 75 18652 1 . LYS 76 76 18652 1 . ARG 77 77 18652 1 . VAL 78 78 18652 1 . VAL 79 79 18652 1 . VAL 80 80 18652 1 . THR 81 81 18652 1 . PRO 82 82 18652 1 . LYS 83 83 18652 1 . THR 84 84 18652 1 . VAL 85 85 18652 1 . GLU 86 86 18652 1 . SER 87 87 18652 1 . LEU 88 88 18652 1 . LEU 89 89 18652 1 . GLY 90 90 18652 1 . LYS 91 91 18652 1 . PRO 92 92 18652 1 . ARG 93 93 18652 1 . TYR 94 94 18652 1 . ARG 95 95 18652 1 . TYR 96 96 18652 1 . GLY 97 97 18652 1 . LEU 98 98 18652 1 . ALA 99 99 18652 1 . GLU 100 100 18652 1 . ARG 101 101 18652 1 . GLU 102 102 18652 1 . ASP 103 103 18652 1 . GLN 104 104 18652 1 . VAL 105 105 18652 1 . GLY 106 106 18652 1 . ALA 107 107 18652 1 . VAL 108 108 18652 1 . THR 109 109 18652 1 . GLY 110 110 18652 1 . LEU 111 111 18652 1 . ALA 112 112 18652 1 . TRP 113 113 18652 1 . THR 114 114 18652 1 . GLN 115 115 18652 1 . ALA 116 116 18652 1 . LEU 117 117 18652 1 . GLU 118 118 18652 1 . HIS 119 119 18652 1 . HIS 120 120 18652 1 . HIS 121 121 18652 1 . HIS 122 122 18652 1 . HIS 123 123 18652 1 . HIS 124 124 18652 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18652 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $alpha_sub-domain . 33942 organism . 'Brevibacillus thermoruber' 'Brevibacillus thermoruber' . . Bacteria . Brevibacillus thermoruber WR-249 . . . . . . . . . . . . . . . . . . . . 18652 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18652 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $alpha_sub-domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL23(DE3) . . . . . . . . . . . . . . . pET-21a . . . . . . 18652 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18652 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'phosphate (pH 6.5) containing 100 mM NaCl, and 5 mM DTT' _Sample.Aggregate_sample_number . _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 'alpha sub-domain' '[U-98% 13C; U-98% 15N]' . . 1 $alpha_sub-domain . . 0.5 . . mM . . . . 18652 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18652 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18652 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18652 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18652 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18652 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 18652 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18652 1 pH 6.5 . pH 18652 1 pressure 1 . atm 18652 1 temperature 298 . K 18652 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18652 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18652 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18652 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18652 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18652 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18652 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18652 1 2 spectrometer_2 Bruker Avance . 800 . . . 18652 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18652 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18652 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18652 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18652 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18652 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18652 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18652 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 18652 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 18652 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 18652 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18652 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18652 1 2 '3D HNCACB' . . . 18652 1 3 '3D CBCA(CO)NH' . . . 18652 1 4 '3D HNCO' . . . 18652 1 5 '3D HN(CA)CO' . . . 18652 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY C C 13 170.84 0.2 . 1 . . . . 492 GLY C . 18652 1 2 . 1 1 3 3 GLY CA C 13 41.9 0.2 . 1 . . . . 492 GLY CA . 18652 1 3 . 1 1 4 4 TYR H H 1 7.99 0.02 . 1 . . . . 493 TYR H . 18652 1 4 . 1 1 4 4 TYR HA H 1 5.07 0.02 . 1 . . . . 493 TYR HA . 18652 1 5 . 1 1 4 4 TYR C C 13 174.98 0.2 . 1 . . . . 493 TYR C . 18652 1 6 . 1 1 4 4 TYR CA C 13 39.13 0.2 . 1 . . . . 493 TYR CA . 18652 1 7 . 1 1 4 4 TYR N N 15 119.13 0.1 . 1 . . . . 493 TYR N . 18652 1 8 . 1 1 5 5 THR H H 1 9.32 0.02 . 1 . . . . 494 THR H . 18652 1 9 . 1 1 5 5 THR HA H 1 4.56 0.02 . 1 . . . . 494 THR HA . 18652 1 10 . 1 1 5 5 THR C C 13 172.8 0.2 . 1 . . . . 494 THR C . 18652 1 11 . 1 1 5 5 THR CA C 13 58.54 0.2 . 1 . . . . 494 THR CA . 18652 1 12 . 1 1 5 5 THR N N 15 114.29 0.1 . 1 . . . . 494 THR N . 18652 1 13 . 1 1 6 6 GLU H H 1 8.94 0.02 . 1 . . . . 495 GLU H . 18652 1 14 . 1 1 6 6 GLU HA H 1 3.93 0.02 . 1 . . . . 495 GLU HA . 18652 1 15 . 1 1 6 6 GLU C C 13 175.15 0.2 . 1 . . . . 495 GLU C . 18652 1 16 . 1 1 6 6 GLU CA C 13 58.44 0.2 . 1 . . . . 495 GLU CA . 18652 1 17 . 1 1 6 6 GLU N N 15 121.35 0.1 . 1 . . . . 495 GLU N . 18652 1 18 . 1 1 7 7 LEU H H 1 8 0.02 . 1 . . . . 496 LEU H . 18652 1 19 . 1 1 7 7 LEU HA H 1 4.05 0.02 . 1 . . . . 496 LEU HA . 18652 1 20 . 1 1 7 7 LEU C C 13 176.78 0.2 . 1 . . . . 496 LEU C . 18652 1 21 . 1 1 7 7 LEU CA C 13 54.97 0.2 . 1 . . . . 496 LEU CA . 18652 1 22 . 1 1 7 7 LEU N N 15 117.43 0.1 . 1 . . . . 496 LEU N . 18652 1 23 . 1 1 8 8 GLU H H 1 7.67 0.02 . 1 . . . . 497 GLU H . 18652 1 24 . 1 1 8 8 GLU HA H 1 4.05 0.02 . 1 . . . . 497 GLU HA . 18652 1 25 . 1 1 8 8 GLU C C 13 177.41 0.2 . 1 . . . . 497 GLU C . 18652 1 26 . 1 1 8 8 GLU CA C 13 56.95 0.2 . 1 . . . . 497 GLU CA . 18652 1 27 . 1 1 8 8 GLU N N 15 118.69 0.1 . 1 . . . . 497 GLU N . 18652 1 28 . 1 1 9 9 LYS H H 1 8.4 0.02 . 1 . . . . 498 LYS H . 18652 1 29 . 1 1 9 9 LYS HA H 1 3.57 0.02 . 1 . . . . 498 LYS HA . 18652 1 30 . 1 1 9 9 LYS C C 13 175.05 0.2 . 1 . . . . 498 LYS C . 18652 1 31 . 1 1 9 9 LYS CA C 13 58.34 0.2 . 1 . . . . 498 LYS CA . 18652 1 32 . 1 1 9 9 LYS N N 15 117.99 0.1 . 1 . . . . 498 LYS N . 18652 1 33 . 1 1 10 10 LEU H H 1 8.34 0.02 . 1 . . . . 499 LEU H . 18652 1 34 . 1 1 10 10 LEU HA H 1 4.32 0.02 . 1 . . . . 499 LEU HA . 18652 1 35 . 1 1 10 10 LEU C C 13 176.21 0.2 . 1 . . . . 499 LEU C . 18652 1 36 . 1 1 10 10 LEU CA C 13 56.26 0.2 . 1 . . . . 499 LEU CA . 18652 1 37 . 1 1 10 10 LEU N N 15 121.02 0.1 . 1 . . . . 499 LEU N . 18652 1 38 . 1 1 11 11 HIS H H 1 7.85 0.02 . 1 . . . . 500 HIS H . 18652 1 39 . 1 1 11 11 HIS HA H 1 4.32 0.02 . 1 . . . . 500 HIS HA . 18652 1 40 . 1 1 11 11 HIS CA C 13 55.96 0.2 . 1 . . . . 500 HIS CA . 18652 1 41 . 1 1 11 11 HIS N N 15 117.49 0.1 . 1 . . . . 500 HIS N . 18652 1 42 . 1 1 12 12 ILE C C 13 176.93 0.2 . 1 . . . . 501 ILE C . 18652 1 43 . 1 1 12 12 ILE CA C 13 62.89 0.2 . 1 . . . . 501 ILE CA . 18652 1 44 . 1 1 13 13 MET H H 1 9.23 0.02 . 1 . . . . 502 MET H . 18652 1 45 . 1 1 13 13 MET HA H 1 3.96 0.02 . 1 . . . . 502 MET HA . 18652 1 46 . 1 1 13 13 MET C C 13 173.16 0.2 . 1 . . . . 502 MET C . 18652 1 47 . 1 1 13 13 MET CA C 13 57.74 0.2 . 1 . . . . 502 MET CA . 18652 1 48 . 1 1 13 13 MET N N 15 123.22 0.1 . 1 . . . . 502 MET N . 18652 1 49 . 1 1 14 14 ARG H H 1 8.69 0.02 . 1 . . . . 503 ARG H . 18652 1 50 . 1 1 14 14 ARG HA H 1 3.91 0.02 . 1 . . . . 503 ARG HA . 18652 1 51 . 1 1 14 14 ARG C C 13 174.83 0.2 . 1 . . . . 503 ARG C . 18652 1 52 . 1 1 14 14 ARG CA C 13 57.05 0.2 . 1 . . . . 503 ARG CA . 18652 1 53 . 1 1 14 14 ARG N N 15 117.36 0.1 . 1 . . . . 503 ARG N . 18652 1 54 . 1 1 15 15 ASP H H 1 8.54 0.02 . 1 . . . . 504 ASP H . 18652 1 55 . 1 1 15 15 ASP HA H 1 4.02 0.02 . 1 . . . . 504 ASP HA . 18652 1 56 . 1 1 15 15 ASP CA C 13 53.19 0.2 . 1 . . . . 504 ASP CA . 18652 1 57 . 1 1 15 15 ASP N N 15 113.2 0.1 . 1 . . . . 504 ASP N . 18652 1 58 . 1 1 18 18 LEU H H 1 9.18 0.02 . 1 . . . . 507 LEU H . 18652 1 59 . 1 1 18 18 LEU HA H 1 4.24 0.02 . 1 . . . . 507 LEU HA . 18652 1 60 . 1 1 18 18 LEU C C 13 178.22 0.2 . 1 . . . . 507 LEU C . 18652 1 61 . 1 1 18 18 LEU CA C 13 56.95 0.2 . 1 . . . . 507 LEU CA . 18652 1 62 . 1 1 18 18 LEU N N 15 118.05 0.1 . 1 . . . . 507 LEU N . 18652 1 63 . 1 1 19 19 PRO C C 13 177.01 0.2 . 1 . . . . 508 PRO C . 18652 1 64 . 1 1 20 20 LYS H H 1 7.42 0.02 . 1 . . . . 509 LYS H . 18652 1 65 . 1 1 20 20 LYS HA H 1 4.25 0.02 . 1 . . . . 509 LYS HA . 18652 1 66 . 1 1 20 20 LYS C C 13 176.63 0.2 . 1 . . . . 509 LYS C . 18652 1 67 . 1 1 20 20 LYS CA C 13 56.36 0.2 . 1 . . . . 509 LYS CA . 18652 1 68 . 1 1 20 20 LYS N N 15 117.3 0.1 . 1 . . . . 509 LYS N . 18652 1 69 . 1 1 21 21 GLN H H 1 8.33 0.02 . 1 . . . . 510 GLN H . 18652 1 70 . 1 1 21 21 GLN HA H 1 4.47 0.02 . 1 . . . . 510 GLN HA . 18652 1 71 . 1 1 21 21 GLN C C 13 177.79 0.2 . 1 . . . . 510 GLN C . 18652 1 72 . 1 1 21 21 GLN CA C 13 55.47 0.2 . 1 . . . . 510 GLN CA . 18652 1 73 . 1 1 21 21 GLN N N 15 117.94 0.1 . 1 . . . . 510 GLN N . 18652 1 74 . 1 1 22 22 MET H H 1 9.3 0.02 . 1 . . . . 511 MET H . 18652 1 75 . 1 1 22 22 MET HA H 1 3.92 0.02 . 1 . . . . 511 MET HA . 18652 1 76 . 1 1 22 22 MET C C 13 175.53 0.2 . 1 . . . . 511 MET C . 18652 1 77 . 1 1 22 22 MET CA C 13 58.57 0.2 . 1 . . . . 511 MET CA . 18652 1 78 . 1 1 22 22 MET N N 15 123.01 0.1 . 1 . . . . 511 MET N . 18652 1 79 . 1 1 23 23 GLU H H 1 7.81 0.02 . 1 . . . . 512 GLU H . 18652 1 80 . 1 1 23 23 GLU HA H 1 4.13 0.02 . 1 . . . . 512 GLU HA . 18652 1 81 . 1 1 23 23 GLU C C 13 178.13 0.2 . 1 . . . . 512 GLU C . 18652 1 82 . 1 1 23 23 GLU CA C 13 57.37 0.2 . 1 . . . . 512 GLU CA . 18652 1 83 . 1 1 23 23 GLU N N 15 120.43 0.1 . 1 . . . . 512 GLU N . 18652 1 84 . 1 1 24 24 GLU H H 1 8.29 0.02 . 1 . . . . 513 GLU H . 18652 1 85 . 1 1 24 24 GLU HA H 1 4.05 0.02 . 1 . . . . 513 GLU HA . 18652 1 86 . 1 1 24 24 GLU C C 13 174.83 0.2 . 1 . . . . 513 GLU C . 18652 1 87 . 1 1 24 24 GLU CA C 13 56.51 0.2 . 1 . . . . 513 GLU CA . 18652 1 88 . 1 1 24 24 GLU N N 15 119.18 0.1 . 1 . . . . 513 GLU N . 18652 1 89 . 1 1 25 25 HIS H H 1 7.57 0.02 . 1 . . . . 514 HIS H . 18652 1 90 . 1 1 25 25 HIS HA H 1 4.57 0.02 . 1 . . . . 514 HIS HA . 18652 1 91 . 1 1 25 25 HIS C C 13 171.81 0.2 . 1 . . . . 514 HIS C . 18652 1 92 . 1 1 25 25 HIS CA C 13 55.11 0.2 . 1 . . . . 514 HIS CA . 18652 1 93 . 1 1 25 25 HIS N N 15 113.71 0.1 . 1 . . . . 514 HIS N . 18652 1 94 . 1 1 26 26 GLY H H 1 7.73 0.02 . 1 . . . . 515 GLY H . 18652 1 95 . 1 1 26 26 GLY HA2 H 1 4.00 0.02 . . . . . . 515 GLY HA2 . 18652 1 96 . 1 1 26 26 GLY HA3 H 1 4.00 0.02 . . . . . . 515 GLY HA3 . 18652 1 97 . 1 1 26 26 GLY C C 13 172.15 0.2 . 1 . . . . 515 GLY C . 18652 1 98 . 1 1 26 26 GLY CA C 13 44.34 0.2 . 1 . . . . 515 GLY CA . 18652 1 99 . 1 1 26 26 GLY N N 15 108.38 0.1 . 1 . . . . 515 GLY N . 18652 1 100 . 1 1 27 27 LEU H H 1 8.46 0.02 . 1 . . . . 516 LEU H . 18652 1 101 . 1 1 27 27 LEU HA H 1 4.48 0.02 . 1 . . . . 516 LEU HA . 18652 1 102 . 1 1 27 27 LEU C C 13 173.01 0.2 . 1 . . . . 516 LEU C . 18652 1 103 . 1 1 27 27 LEU CA C 13 50.99 0.2 . 1 . . . . 516 LEU CA . 18652 1 104 . 1 1 27 27 LEU N N 15 119.64 0.1 . 1 . . . . 516 LEU N . 18652 1 105 . 1 1 28 28 GLY H H 1 7.8 0.02 . 1 . . . . 517 GLY H . 18652 1 106 . 1 1 28 28 GLY HA2 H 1 4.27 0.02 . . . . . . 517 GLY HA2 . 18652 1 107 . 1 1 28 28 GLY HA3 H 1 3.93 0.02 . . . . . . 517 GLY HA3 . 18652 1 108 . 1 1 28 28 GLY C C 13 171.9 0.2 . 1 . . . . 517 GLY C . 18652 1 109 . 1 1 28 28 GLY CA C 13 41.87 0.2 . 1 . . . . 517 GLY CA . 18652 1 110 . 1 1 28 28 GLY N N 15 108.78 0.1 . 1 . . . . 517 GLY N . 18652 1 111 . 1 1 29 29 ARG H H 1 8.64 0.02 . 1 . . . . 518 ARG H . 18652 1 112 . 1 1 29 29 ARG HA H 1 4.02 0.02 . 1 . . . . 518 ARG HA . 18652 1 113 . 1 1 29 29 ARG C C 13 173.99 0.2 . 1 . . . . 518 ARG C . 18652 1 114 . 1 1 29 29 ARG CA C 13 55.71 0.2 . 1 . . . . 518 ARG CA . 18652 1 115 . 1 1 29 29 ARG N N 15 119.35 0.1 . 1 . . . . 518 ARG N . 18652 1 116 . 1 1 30 30 ASP H H 1 8.83 0.02 . 1 . . . . 519 ASP H . 18652 1 117 . 1 1 30 30 ASP HA H 1 4.52 0.02 . 1 . . . . 519 ASP HA . 18652 1 118 . 1 1 30 30 ASP C C 13 174.39 0.2 . 1 . . . . 519 ASP C . 18652 1 119 . 1 1 30 30 ASP CA C 13 51.98 0.2 . 1 . . . . 519 ASP CA . 18652 1 120 . 1 1 30 30 ASP N N 15 114.2 0.1 . 1 . . . . 519 ASP N . 18652 1 121 . 1 1 31 31 LYS H H 1 7.76 0.02 . 1 . . . . 520 LYS H . 18652 1 122 . 1 1 31 31 LYS HA H 1 4.40 0.02 . 1 . . . . 520 LYS HA . 18652 1 123 . 1 1 31 31 LYS C C 13 171.92 0.2 . 1 . . . . 520 LYS C . 18652 1 124 . 1 1 31 31 LYS CA C 13 54.18 0.2 . 1 . . . . 520 LYS CA . 18652 1 125 . 1 1 31 31 LYS N N 15 117.08 0.1 . 1 . . . . 520 LYS N . 18652 1 126 . 1 1 32 32 LEU H H 1 7.15 0.02 . 1 . . . . 521 LEU H . 18652 1 127 . 1 1 32 32 LEU HA H 1 5.31 0.02 . 1 . . . . 521 LEU HA . 18652 1 128 . 1 1 32 32 LEU C C 13 171.62 0.2 . 1 . . . . 521 LEU C . 18652 1 129 . 1 1 32 32 LEU CA C 13 51.25 0.2 . 1 . . . . 521 LEU CA . 18652 1 130 . 1 1 32 32 LEU N N 15 119.34 0.1 . 1 . . . . 521 LEU N . 18652 1 131 . 1 1 33 33 GLN H H 1 8.48 0.02 . 1 . . . . 522 GLN H . 18652 1 132 . 1 1 33 33 GLN HA H 1 4.65 0.02 . 1 . . . . 522 GLN HA . 18652 1 133 . 1 1 33 33 GLN C C 13 170.94 0.2 . 1 . . . . 522 GLN C . 18652 1 134 . 1 1 33 33 GLN CA C 13 51.58 0.2 . 1 . . . . 522 GLN CA . 18652 1 135 . 1 1 33 33 GLN N N 15 124.84 0.1 . 1 . . . . 522 GLN N . 18652 1 136 . 1 1 34 34 MET H H 1 8.86 0.02 . 1 . . . . 523 MET H . 18652 1 137 . 1 1 34 34 MET HA H 1 5.08 0.02 . 1 . . . . 523 MET HA . 18652 1 138 . 1 1 34 34 MET C C 13 170.84 0.2 . 1 . . . . 523 MET C . 18652 1 139 . 1 1 34 34 MET CA C 13 52.32 0.2 . 1 . . . . 523 MET CA . 18652 1 140 . 1 1 34 34 MET N N 15 125.84 0.1 . 1 . . . . 523 MET N . 18652 1 141 . 1 1 35 35 ASN H H 1 7.64 0.02 . 1 . . . . 524 ASN H . 18652 1 142 . 1 1 35 35 ASN HA H 1 4.93 0.02 . 1 . . . . 524 ASN HA . 18652 1 143 . 1 1 35 35 ASN C C 13 172.91 0.2 . 1 . . . . 524 ASN C . 18652 1 144 . 1 1 35 35 ASN CA C 13 48.99 0.2 . 1 . . . . 524 ASN CA . 18652 1 145 . 1 1 35 35 ASN N N 15 123.03 0.1 . 1 . . . . 524 ASN N . 18652 1 146 . 1 1 36 36 GLU H H 1 8.92 0.02 . 1 . . . . 525 GLU H . 18652 1 147 . 1 1 36 36 GLU HA H 1 3.98 0.02 . 1 . . . . 525 GLU HA . 18652 1 148 . 1 1 36 36 GLU C C 13 175.98 0.2 . 1 . . . . 525 GLU C . 18652 1 149 . 1 1 36 36 GLU CA C 13 58.1 0.2 . 1 . . . . 525 GLU CA . 18652 1 150 . 1 1 36 36 GLU N N 15 120.41 0.1 . 1 . . . . 525 GLU N . 18652 1 151 . 1 1 37 37 GLU H H 1 8.91 0.02 . 1 . . . . 526 GLU H . 18652 1 152 . 1 1 37 37 GLU HA H 1 4.02 0.02 . 1 . . . . 526 GLU HA . 18652 1 153 . 1 1 37 37 GLU C C 13 177.44 0.2 . 1 . . . . 526 GLU C . 18652 1 154 . 1 1 37 37 GLU CA C 13 57.77 0.2 . 1 . . . . 526 GLU CA . 18652 1 155 . 1 1 37 37 GLU N N 15 118.78 0.1 . 1 . . . . 526 GLU N . 18652 1 156 . 1 1 38 38 ALA H H 1 8.48 0.02 . 1 . . . . 527 ALA H . 18652 1 157 . 1 1 38 38 ALA HA H 1 3.84 0.02 . 1 . . . . 527 ALA HA . 18652 1 158 . 1 1 38 38 ALA C C 13 176.04 0.2 . 1 . . . . 527 ALA C . 18652 1 159 . 1 1 38 38 ALA CA C 13 53.25 0.2 . 1 . . . . 527 ALA CA . 18652 1 160 . 1 1 38 38 ALA N N 15 122.71 0.1 . 1 . . . . 527 ALA N . 18652 1 161 . 1 1 39 39 MET H H 1 7.93 0.02 . 1 . . . . 528 MET H . 18652 1 162 . 1 1 39 39 MET HA H 1 3.81 0.02 . 1 . . . . 528 MET HA . 18652 1 163 . 1 1 39 39 MET C C 13 175.19 0.2 . 1 . . . . 528 MET C . 18652 1 164 . 1 1 39 39 MET CA C 13 58.63 0.2 . 1 . . . . 528 MET CA . 18652 1 165 . 1 1 39 39 MET N N 15 117.29 0.1 . 1 . . . . 528 MET N . 18652 1 166 . 1 1 40 40 LEU H H 1 8.56 0.02 . 1 . . . . 529 LEU H . 18652 1 167 . 1 1 40 40 LEU HA H 1 4.01 0.02 . 1 . . . . 529 LEU HA . 18652 1 168 . 1 1 40 40 LEU C C 13 175.51 0.2 . 1 . . . . 529 LEU C . 18652 1 169 . 1 1 40 40 LEU CA C 13 55.44 0.2 . 1 . . . . 529 LEU CA . 18652 1 170 . 1 1 40 40 LEU N N 15 118.5 0.1 . 1 . . . . 529 LEU N . 18652 1 171 . 1 1 41 41 LYS H H 1 7.75 0.02 . 1 . . . . 530 LYS H . 18652 1 172 . 1 1 41 41 LYS HA H 1 4.22 0.02 . 1 . . . . 530 LYS HA . 18652 1 173 . 1 1 41 41 LYS C C 13 176.06 0.2 . 1 . . . . 530 LYS C . 18652 1 174 . 1 1 41 41 LYS CA C 13 57.5 0.2 . 1 . . . . 530 LYS CA . 18652 1 175 . 1 1 41 41 LYS N N 15 119.81 0.1 . 1 . . . . 530 LYS N . 18652 1 176 . 1 1 42 42 VAL H H 1 7.84 0.02 . 1 . . . . 531 VAL H . 18652 1 177 . 1 1 42 42 VAL HA H 1 3.82 0.02 . 1 . . . . 531 VAL HA . 18652 1 178 . 1 1 42 42 VAL C C 13 175.36 0.2 . 1 . . . . 531 VAL C . 18652 1 179 . 1 1 42 42 VAL CA C 13 64.42 0.2 . 1 . . . . 531 VAL CA . 18652 1 180 . 1 1 42 42 VAL N N 15 118.97 0.1 . 1 . . . . 531 VAL N . 18652 1 181 . 1 1 43 43 ILE H H 1 8.18 0.02 . 1 . . . . 532 ILE H . 18652 1 182 . 1 1 43 43 ILE HA H 1 3.50 0.02 . 1 . . . . 532 ILE HA . 18652 1 183 . 1 1 43 43 ILE C C 13 174.39 0.2 . 1 . . . . 532 ILE C . 18652 1 184 . 1 1 43 43 ILE CA C 13 63.35 0.2 . 1 . . . . 532 ILE CA . 18652 1 185 . 1 1 43 43 ILE N N 15 118.59 0.1 . 1 . . . . 532 ILE N . 18652 1 186 . 1 1 44 44 ARG H H 1 8.82 0.02 . 1 . . . . 533 ARG H . 18652 1 187 . 1 1 44 44 ARG HA H 1 4.18 0.02 . 1 . . . . 533 ARG HA . 18652 1 188 . 1 1 44 44 ARG C C 13 176.02 0.2 . 1 . . . . 533 ARG C . 18652 1 189 . 1 1 44 44 ARG CA C 13 56.84 0.2 . 1 . . . . 533 ARG CA . 18652 1 190 . 1 1 44 44 ARG N N 15 114.74 0.1 . 1 . . . . 533 ARG N . 18652 1 191 . 1 1 45 45 GLN H H 1 8.72 0.02 . 1 . . . . 534 GLN H . 18652 1 192 . 1 1 45 45 GLN HA H 1 5.06 0.02 . 1 . . . . 534 GLN HA . 18652 1 193 . 1 1 45 45 GLN C C 13 174.66 0.2 . 1 . . . . 534 GLN C . 18652 1 194 . 1 1 45 45 GLN CA C 13 54.18 0.2 . 1 . . . . 534 GLN CA . 18652 1 195 . 1 1 45 45 GLN N N 15 110.5 0.1 . 1 . . . . 534 GLN N . 18652 1 196 . 1 1 46 46 TYR H H 1 8.3 0.02 . 1 . . . . 535 TYR H . 18652 1 197 . 1 1 46 46 TYR HA H 1 4.72 0.02 . 1 . . . . 535 TYR HA . 18652 1 198 . 1 1 46 46 TYR C C 13 172 0.2 . 1 . . . . 535 TYR C . 18652 1 199 . 1 1 46 46 TYR CA C 13 56.04 0.2 . 1 . . . . 535 TYR CA . 18652 1 200 . 1 1 46 46 TYR N N 15 115.47 0.1 . 1 . . . . 535 TYR N . 18652 1 201 . 1 1 47 47 THR H H 1 7.43 0.02 . 1 . . . . 536 THR H . 18652 1 202 . 1 1 47 47 THR HA H 1 4.93 0.02 . 1 . . . . 536 THR HA . 18652 1 203 . 1 1 47 47 THR C C 13 168.28 0.2 . 1 . . . . 536 THR C . 18652 1 204 . 1 1 47 47 THR CA C 13 57.04 0.2 . 1 . . . . 536 THR CA . 18652 1 205 . 1 1 47 47 THR N N 15 108.1 0.1 . 1 . . . . 536 THR N . 18652 1 206 . 1 1 48 48 ARG H H 1 8.91 0.02 . 1 . . . . 537 ARG H . 18652 1 207 . 1 1 48 48 ARG C C 13 107.79 0.2 . 1 . . . . 537 ARG C . 18652 1 208 . 1 1 48 48 ARG CA C 13 53.59 0.2 . 1 . . . . 537 ARG CA . 18652 1 209 . 1 1 48 48 ARG N N 15 123.04 0.1 . 1 . . . . 537 ARG N . 18652 1 210 . 1 1 49 49 GLU H H 1 8.72 0.02 . 1 . . . . 538 GLU H . 18652 1 211 . 1 1 49 49 GLU HA H 1 4.91 0.02 . 1 . . . . 538 GLU HA . 18652 1 212 . 1 1 49 49 GLU C C 13 172.55 0.2 . 1 . . . . 538 GLU C . 18652 1 213 . 1 1 49 49 GLU CA C 13 51.9 0.2 . 1 . . . . 538 GLU CA . 18652 1 214 . 1 1 49 49 GLU N N 15 121.39 0.1 . 1 . . . . 538 GLU N . 18652 1 215 . 1 1 50 50 ALA C C 13 176.19 0.2 . 1 . . . . 539 ALA C . 18652 1 216 . 1 1 50 50 ALA CA C 13 51.41 0.2 . 1 . . . . 539 ALA CA . 18652 1 217 . 1 1 51 51 GLY H H 1 7.68 0.02 . 1 . . . . 540 GLY H . 18652 1 218 . 1 1 51 51 GLY HA2 H 1 3.98 0.02 . . . . . . 540 GLY HA2 . 18652 1 219 . 1 1 51 51 GLY HA3 H 1 3.98 0.02 . . . . . . 540 GLY HA3 . 18652 1 220 . 1 1 51 51 GLY C C 13 169.72 0.2 . 1 . . . . 540 GLY C . 18652 1 221 . 1 1 51 51 GLY CA C 13 41.87 0.2 . 1 . . . . 540 GLY CA . 18652 1 222 . 1 1 51 51 GLY N N 15 106.3 0.1 . 1 . . . . 540 GLY N . 18652 1 223 . 1 1 52 52 VAL H H 1 8.49 0.02 . 1 . . . . 541 VAL H . 18652 1 224 . 1 1 52 52 VAL HA H 1 4.99 0.02 . 1 . . . . 541 VAL HA . 18652 1 225 . 1 1 52 52 VAL C C 13 173.54 0.2 . 1 . . . . 541 VAL C . 18652 1 226 . 1 1 52 52 VAL CA C 13 57.44 0.2 . 1 . . . . 541 VAL CA . 18652 1 227 . 1 1 52 52 VAL N N 15 108.72 0.1 . 1 . . . . 541 VAL N . 18652 1 228 . 1 1 53 53 ARG H H 1 7.79 0.02 . 1 . . . . 542 ARG H . 18652 1 229 . 1 1 53 53 ARG HA H 1 4.13 0.02 . 1 . . . . 542 ARG HA . 18652 1 230 . 1 1 53 53 ARG C C 13 177.24 0.2 . 1 . . . . 542 ARG C . 18652 1 231 . 1 1 53 53 ARG CA C 13 57.7 0.2 . 1 . . . . 542 ARG CA . 18652 1 232 . 1 1 53 53 ARG N N 15 124.16 0.1 . 1 . . . . 542 ARG N . 18652 1 233 . 1 1 54 54 ASN H H 1 11.86 0.02 . 1 . . . . 543 ASN H . 18652 1 234 . 1 1 54 54 ASN HA H 1 4.67 0.02 . 1 . . . . 543 ASN HA . 18652 1 235 . 1 1 54 54 ASN C C 13 176.34 0.2 . 1 . . . . 543 ASN C . 18652 1 236 . 1 1 54 54 ASN CA C 13 53.65 0.2 . 1 . . . . 543 ASN CA . 18652 1 237 . 1 1 54 54 ASN N N 15 124.34 0.1 . 1 . . . . 543 ASN N . 18652 1 238 . 1 1 55 55 LEU H H 1 9.22 0.02 . 1 . . . . 544 LEU H . 18652 1 239 . 1 1 55 55 LEU HA H 1 3.92 0.02 . 1 . . . . 544 LEU HA . 18652 1 240 . 1 1 55 55 LEU C C 13 175.62 0.2 . 1 . . . . 544 LEU C . 18652 1 241 . 1 1 55 55 LEU CA C 13 55.57 0.2 . 1 . . . . 544 LEU CA . 18652 1 242 . 1 1 55 55 LEU N N 15 126.7 0.1 . 1 . . . . 544 LEU N . 18652 1 243 . 1 1 56 56 ASN H H 1 8.52 0.02 . 1 . . . . 545 ASN H . 18652 1 244 . 1 1 56 56 ASN HA H 1 4.43 0.02 . 1 . . . . 545 ASN HA . 18652 1 245 . 1 1 56 56 ASN C C 13 174.18 0.2 . 1 . . . . 545 ASN C . 18652 1 246 . 1 1 56 56 ASN CA C 13 54.31 0.2 . 1 . . . . 545 ASN CA . 18652 1 247 . 1 1 56 56 ASN N N 15 115.94 0.1 . 1 . . . . 545 ASN N . 18652 1 248 . 1 1 57 57 ARG H H 1 7.39 0.02 . 1 . . . . 546 ARG H . 18652 1 249 . 1 1 57 57 ARG HA H 1 4.12 0.02 . 1 . . . . 546 ARG HA . 18652 1 250 . 1 1 57 57 ARG C C 13 176.4 0.2 . 1 . . . . 546 ARG C . 18652 1 251 . 1 1 57 57 ARG CA C 13 56.9 0.2 . 1 . . . . 546 ARG CA . 18652 1 252 . 1 1 57 57 ARG N N 15 118.64 0.1 . 1 . . . . 546 ARG N . 18652 1 253 . 1 1 58 58 GLU H H 1 8.3 0.02 . 1 . . . . 547 GLU H . 18652 1 254 . 1 1 58 58 GLU HA H 1 4.75 0.02 . 1 . . . . 547 GLU HA . 18652 1 255 . 1 1 58 58 GLU C C 13 176.86 0.2 . 1 . . . . 547 GLU C . 18652 1 256 . 1 1 58 58 GLU CA C 13 55.17 0.2 . 1 . . . . 547 GLU CA . 18652 1 257 . 1 1 58 58 GLU N N 15 117.92 0.1 . 1 . . . . 547 GLU N . 18652 1 258 . 1 1 59 59 ALA H H 1 8.55 0.02 . 1 . . . . 548 ALA H . 18652 1 259 . 1 1 59 59 ALA HA H 1 3.86 0.02 . 1 . . . . 548 ALA HA . 18652 1 260 . 1 1 59 59 ALA C C 13 176.48 0.2 . 1 . . . . 548 ALA C . 18652 1 261 . 1 1 59 59 ALA CA C 13 53.18 0.2 . 1 . . . . 548 ALA CA . 18652 1 262 . 1 1 59 59 ALA N N 15 121.9 0.1 . 1 . . . . 548 ALA N . 18652 1 263 . 1 1 60 60 ALA H H 1 8.22 0.02 . 1 . . . . 549 ALA H . 18652 1 264 . 1 1 60 60 ALA HA H 1 3.82 0.02 . 1 . . . . 549 ALA HA . 18652 1 265 . 1 1 60 60 ALA C C 13 175.98 0.2 . 1 . . . . 549 ALA C . 18652 1 266 . 1 1 60 60 ALA CA C 13 53.31 0.2 . 1 . . . . 549 ALA CA . 18652 1 267 . 1 1 60 60 ALA N N 15 121.31 0.1 . 1 . . . . 549 ALA N . 18652 1 268 . 1 1 61 61 ASN H H 1 8.19 0.02 . 1 . . . . 550 ASN H . 18652 1 269 . 1 1 61 61 ASN HA H 1 4.41 0.02 . 1 . . . . 550 ASN HA . 18652 1 270 . 1 1 61 61 ASN C C 13 175.28 0.2 . 1 . . . . 550 ASN C . 18652 1 271 . 1 1 61 61 ASN CA C 13 53.38 0.2 . 1 . . . . 550 ASN CA . 18652 1 272 . 1 1 61 61 ASN N N 15 117.2 0.1 . 1 . . . . 550 ASN N . 18652 1 273 . 1 1 62 62 ILE H H 1 8.35 0.02 . 1 . . . . 551 ILE H . 18652 1 274 . 1 1 62 62 ILE HA H 1 3.35 0.02 . 1 . . . . 551 ILE HA . 18652 1 275 . 1 1 62 62 ILE C C 13 174.33 0.2 . 1 . . . . 551 ILE C . 18652 1 276 . 1 1 62 62 ILE CA C 13 63.16 0.2 . 1 . . . . 551 ILE CA . 18652 1 277 . 1 1 62 62 ILE N N 15 119.45 0.1 . 1 . . . . 551 ILE N . 18652 1 278 . 1 1 63 63 CYS H H 1 7.48 0.02 . 1 . . . . 552 CYS H . 18652 1 279 . 1 1 63 63 CYS HA H 1 3.78 0.02 . 1 . . . . 552 CYS HA . 18652 1 280 . 1 1 63 63 CYS C C 13 172.82 0.2 . 1 . . . . 552 CYS C . 18652 1 281 . 1 1 63 63 CYS CA C 13 61.96 0.2 . 1 . . . . 552 CYS CA . 18652 1 282 . 1 1 63 63 CYS N N 15 116.04 0.1 . 1 . . . . 552 CYS N . 18652 1 283 . 1 1 64 64 ARG H H 1 8.68 0.02 . 1 . . . . 553 ARG H . 18652 1 284 . 1 1 64 64 ARG HA H 1 3.78 0.02 . 1 . . . . 553 ARG HA . 18652 1 285 . 1 1 64 64 ARG C C 13 177.03 0.2 . 1 . . . . 553 ARG C . 18652 1 286 . 1 1 64 64 ARG CA C 13 57.24 0.2 . 1 . . . . 553 ARG CA . 18652 1 287 . 1 1 64 64 ARG N N 15 121 0.1 . 1 . . . . 553 ARG N . 18652 1 288 . 1 1 65 65 LYS H H 1 7.89 0.02 . 1 . . . . 554 LYS H . 18652 1 289 . 1 1 65 65 LYS HA H 1 4.08 0.02 . 1 . . . . 554 LYS HA . 18652 1 290 . 1 1 65 65 LYS C C 13 176.82 0.2 . 1 . . . . 554 LYS C . 18652 1 291 . 1 1 65 65 LYS CA C 13 56.57 0.2 . 1 . . . . 554 LYS CA . 18652 1 292 . 1 1 65 65 LYS N N 15 118.22 0.1 . 1 . . . . 554 LYS N . 18652 1 293 . 1 1 66 66 ALA H H 1 8.65 0.02 . 1 . . . . 555 ALA H . 18652 1 294 . 1 1 66 66 ALA HA H 1 4.05 0.02 . 1 . . . . 555 ALA HA . 18652 1 295 . 1 1 66 66 ALA C C 13 176.06 0.2 . 1 . . . . 555 ALA C . 18652 1 296 . 1 1 66 66 ALA CA C 13 52.85 0.2 . 1 . . . . 555 ALA CA . 18652 1 297 . 1 1 66 66 ALA N N 15 121.54 0.1 . 1 . . . . 555 ALA N . 18652 1 298 . 1 1 67 67 ALA H H 1 8.6 0.02 . 1 . . . . 556 ALA H . 18652 1 299 . 1 1 67 67 ALA HA H 1 4.04 0.02 . 1 . . . . 556 ALA HA . 18652 1 300 . 1 1 67 67 ALA C C 13 177.03 0.2 . 1 . . . . 556 ALA C . 18652 1 301 . 1 1 67 67 ALA CA C 13 53.11 0.2 . 1 . . . . 556 ALA CA . 18652 1 302 . 1 1 67 67 ALA N N 15 118.11 0.1 . 1 . . . . 556 ALA N . 18652 1 303 . 1 1 68 68 ARG H H 1 7.43 0.02 . 1 . . . . 557 ARG H . 18652 1 304 . 1 1 68 68 ARG HA H 1 4.19 0.02 . 1 . . . . 557 ARG HA . 18652 1 305 . 1 1 68 68 ARG C C 13 176.74 0.2 . 1 . . . . 557 ARG C . 18652 1 306 . 1 1 68 68 ARG CA C 13 56.24 0.2 . 1 . . . . 557 ARG CA . 18652 1 307 . 1 1 68 68 ARG N N 15 116.55 0.1 . 1 . . . . 557 ARG N . 18652 1 308 . 1 1 69 69 LEU H H 1 7.69 0.02 . 1 . . . . 558 LEU H . 18652 1 309 . 1 1 69 69 LEU C C 13 175.59 0.2 . 1 . . . . 558 LEU C . 18652 1 310 . 1 1 69 69 LEU CA C 13 55.57 0.2 . 1 . . . . 558 LEU CA . 18652 1 311 . 1 1 69 69 LEU N N 15 120.01 0.1 . 1 . . . . 558 LEU N . 18652 1 312 . 1 1 70 70 ILE H H 1 7.72 0.02 . 1 . . . . 559 ILE H . 18652 1 313 . 1 1 70 70 ILE HA H 1 4.49 0.02 . 1 . . . . 559 ILE HA . 18652 1 314 . 1 1 70 70 ILE C C 13 178.17 0.2 . 1 . . . . 559 ILE C . 18652 1 315 . 1 1 70 70 ILE CA C 13 60.03 0.2 . 1 . . . . 559 ILE CA . 18652 1 316 . 1 1 70 70 ILE N N 15 118.51 0.1 . 1 . . . . 559 ILE N . 18652 1 317 . 1 1 71 71 VAL H H 1 8.87 0.02 . 1 . . . . 560 VAL H . 18652 1 318 . 1 1 71 71 VAL HA H 1 3.94 0.02 . 1 . . . . 560 VAL HA . 18652 1 319 . 1 1 71 71 VAL C C 13 175.57 0.2 . 1 . . . . 560 VAL C . 18652 1 320 . 1 1 71 71 VAL CA C 13 63.16 0.2 . 1 . . . . 560 VAL CA . 18652 1 321 . 1 1 71 71 VAL N N 15 121.71 0.1 . 1 . . . . 560 VAL N . 18652 1 322 . 1 1 72 72 SER H H 1 7.92 0.02 . 1 . . . . 561 SER H . 18652 1 323 . 1 1 72 72 SER HA H 1 4.44 0.02 . 1 . . . . 561 SER HA . 18652 1 324 . 1 1 72 72 SER C C 13 173.01 0.2 . 1 . . . . 561 SER C . 18652 1 325 . 1 1 72 72 SER CA C 13 57.1 0.2 . 1 . . . . 561 SER CA . 18652 1 326 . 1 1 72 72 SER N N 15 112.68 0.1 . 1 . . . . 561 SER N . 18652 1 327 . 1 1 73 73 GLY H H 1 7.79 0.02 . 1 . . . . 562 GLY H . 18652 1 328 . 1 1 73 73 GLY HA2 H 1 4.32 0.02 . . . . . . 562 GLY HA2 . 18652 1 329 . 1 1 73 73 GLY HA3 H 1 3.88 0.02 . . . . . . 562 GLY HA3 . 18652 1 330 . 1 1 73 73 GLY C C 13 171.79 0.2 . 1 . . . . 562 GLY C . 18652 1 331 . 1 1 73 73 GLY CA C 13 42.61 0.2 . 1 . . . . 562 GLY CA . 18652 1 332 . 1 1 73 73 GLY N N 15 109.48 0.1 . 1 . . . . 562 GLY N . 18652 1 333 . 1 1 74 74 GLU H H 1 8.1 0.02 . 1 . . . . 563 GLU H . 18652 1 334 . 1 1 74 74 GLU HA H 1 4.11 0.02 . 1 . . . . 563 GLU HA . 18652 1 335 . 1 1 74 74 GLU C C 13 174.41 0.2 . 1 . . . . 563 GLU C . 18652 1 336 . 1 1 74 74 GLU CA C 13 56.51 0.2 . 1 . . . . 563 GLU CA . 18652 1 337 . 1 1 74 74 GLU N N 15 121.68 0.1 . 1 . . . . 563 GLU N . 18652 1 338 . 1 1 75 75 LYS H H 1 7.53 0.02 . 1 . . . . 564 LYS H . 18652 1 339 . 1 1 75 75 LYS C C 13 172.99 0.2 . 1 . . . . 564 LYS C . 18652 1 340 . 1 1 75 75 LYS CA C 13 50.99 0.2 . 1 . . . . 564 LYS CA . 18652 1 341 . 1 1 75 75 LYS N N 15 114.11 0.1 . 1 . . . . 564 LYS N . 18652 1 342 . 1 1 76 76 LYS C C 13 173.4 0.2 . 1 . . . . 565 LYS C . 18652 1 343 . 1 1 76 76 LYS CA C 13 54.64 0.2 . 1 . . . . 565 LYS CA . 18652 1 344 . 1 1 77 77 ARG H H 1 7.46 0.02 . 1 . . . . 566 ARG H . 18652 1 345 . 1 1 77 77 ARG HA H 1 4.67 0.02 . 1 . . . . 566 ARG HA . 18652 1 346 . 1 1 77 77 ARG C C 13 171.53 0.2 . 1 . . . . 566 ARG C . 18652 1 347 . 1 1 77 77 ARG CA C 13 52.25 0.2 . 1 . . . . 566 ARG CA . 18652 1 348 . 1 1 77 77 ARG N N 15 114.56 0.1 . 1 . . . . 566 ARG N . 18652 1 349 . 1 1 78 78 VAL H H 1 8.81 0.02 . 1 . . . . 567 VAL H . 18652 1 350 . 1 1 78 78 VAL HA H 1 4.26 0.02 . 1 . . . . 567 VAL HA . 18652 1 351 . 1 1 78 78 VAL C C 13 170.82 0.2 . 1 . . . . 567 VAL C . 18652 1 352 . 1 1 78 78 VAL CA C 13 59.76 0.2 . 1 . . . . 567 VAL CA . 18652 1 353 . 1 1 78 78 VAL N N 15 124.45 0.1 . 1 . . . . 567 VAL N . 18652 1 354 . 1 1 79 79 VAL H H 1 8.42 0.02 . 1 . . . . 568 VAL H . 18652 1 355 . 1 1 79 79 VAL HA H 1 4.51 0.02 . 1 . . . . 568 VAL HA . 18652 1 356 . 1 1 79 79 VAL C C 13 173.31 0.2 . 1 . . . . 568 VAL C . 18652 1 357 . 1 1 79 79 VAL CA C 13 59.3 0.2 . 1 . . . . 568 VAL CA . 18652 1 358 . 1 1 79 79 VAL N N 15 128.75 0.1 . 1 . . . . 568 VAL N . 18652 1 359 . 1 1 80 80 VAL H H 1 9.37 0.02 . 1 . . . . 569 VAL H . 18652 1 360 . 1 1 80 80 VAL HA H 1 4.06 0.02 . 1 . . . . 569 VAL HA . 18652 1 361 . 1 1 80 80 VAL C C 13 171.41 0.2 . 1 . . . . 569 VAL C . 18652 1 362 . 1 1 80 80 VAL CA C 13 59.83 0.2 . 1 . . . . 569 VAL CA . 18652 1 363 . 1 1 80 80 VAL N N 15 129.47 0.1 . 1 . . . . 569 VAL N . 18652 1 364 . 1 1 81 81 THR H H 1 8.09 0.02 . 1 . . . . 570 THR H . 18652 1 365 . 1 1 81 81 THR HA H 1 4.94 0.02 . 1 . . . . 570 THR HA . 18652 1 366 . 1 1 81 81 THR C C 13 171.4 0.2 . 1 . . . . 570 THR C . 18652 1 367 . 1 1 81 81 THR CA C 13 56.97 0.2 . 1 . . . . 570 THR CA . 18652 1 368 . 1 1 81 81 THR N N 15 118.49 0.1 . 1 . . . . 570 THR N . 18652 1 369 . 1 1 83 83 LYS C C 13 176.27 0.2 . 1 . . . . 572 LYS C . 18652 1 370 . 1 1 83 83 LYS CA C 13 56.24 0.2 . 1 . . . . 572 LYS CA . 18652 1 371 . 1 1 84 84 THR H H 1 7.86 0.02 . 1 . . . . 573 THR H . 18652 1 372 . 1 1 84 84 THR HA H 1 4.42 0.02 . 1 . . . . 573 THR HA . 18652 1 373 . 1 1 84 84 THR C C 13 174.83 0.2 . 1 . . . . 573 THR C . 18652 1 374 . 1 1 84 84 THR CA C 13 61.16 0.2 . 1 . . . . 573 THR CA . 18652 1 375 . 1 1 84 84 THR N N 15 112.72 0.1 . 1 . . . . 573 THR N . 18652 1 376 . 1 1 85 85 VAL H H 1 8.13 0.02 . 1 . . . . 574 VAL H . 18652 1 377 . 1 1 85 85 VAL HA H 1 3.39 0.02 . 1 . . . . 574 VAL HA . 18652 1 378 . 1 1 85 85 VAL C C 13 174.16 0.2 . 1 . . . . 574 VAL C . 18652 1 379 . 1 1 85 85 VAL CA C 13 64.68 0.2 . 1 . . . . 574 VAL CA . 18652 1 380 . 1 1 85 85 VAL N N 15 121.56 0.1 . 1 . . . . 574 VAL N . 18652 1 381 . 1 1 86 86 GLU H H 1 7.81 0.02 . 1 . . . . 575 GLU H . 18652 1 382 . 1 1 86 86 GLU HA H 1 4.44 0.02 . 1 . . . . 575 GLU HA . 18652 1 383 . 1 1 86 86 GLU C C 13 176.86 0.2 . 1 . . . . 575 GLU C . 18652 1 384 . 1 1 86 86 GLU CA C 13 56.04 0.2 . 1 . . . . 575 GLU CA . 18652 1 385 . 1 1 86 86 GLU N N 15 118.02 0.1 . 1 . . . . 575 GLU N . 18652 1 386 . 1 1 87 87 SER H H 1 7.64 0.02 . 1 . . . . 576 SER H . 18652 1 387 . 1 1 87 87 SER HA H 1 4.10 0.02 . 1 . . . . 576 SER HA . 18652 1 388 . 1 1 87 87 SER C C 13 172.61 0.2 . 1 . . . . 576 SER C . 18652 1 389 . 1 1 87 87 SER CA C 13 58.57 0.2 . 1 . . . . 576 SER CA . 18652 1 390 . 1 1 87 87 SER N N 15 115.26 0.1 . 1 . . . . 576 SER N . 18652 1 391 . 1 1 88 88 LEU H H 1 7.55 0.02 . 1 . . . . 577 LEU H . 18652 1 392 . 1 1 88 88 LEU HA H 1 4.36 0.02 . 1 . . . . 577 LEU HA . 18652 1 393 . 1 1 88 88 LEU C C 13 174.6 0.2 . 1 . . . . 577 LEU C . 18652 1 394 . 1 1 88 88 LEU CA C 13 54.04 0.2 . 1 . . . . 577 LEU CA . 18652 1 395 . 1 1 88 88 LEU N N 15 118.74 0.1 . 1 . . . . 577 LEU N . 18652 1 396 . 1 1 89 89 LEU H H 1 8.31 0.02 . 1 . . . . 578 LEU H . 18652 1 397 . 1 1 89 89 LEU HA H 1 4.46 0.02 . 1 . . . . 578 LEU HA . 18652 1 398 . 1 1 89 89 LEU C C 13 175.55 0.2 . 1 . . . . 578 LEU C . 18652 1 399 . 1 1 89 89 LEU CA C 13 51.85 0.2 . 1 . . . . 578 LEU CA . 18652 1 400 . 1 1 89 89 LEU N N 15 114 0.1 . 1 . . . . 578 LEU N . 18652 1 401 . 1 1 90 90 GLY H H 1 7.75 0.02 . 1 . . . . 579 GLY H . 18652 1 402 . 1 1 90 90 GLY HA2 H 1 3.98 0.02 . . . . . . 579 GLY HA2 . 18652 1 403 . 1 1 90 90 GLY HA3 H 1 3.98 0.02 . . . . . . 579 GLY HA3 . 18652 1 404 . 1 1 90 90 GLY C C 13 170.44 0.2 . 1 . . . . 579 GLY C . 18652 1 405 . 1 1 90 90 GLY CA C 13 41.14 0.2 . 1 . . . . 579 GLY CA . 18652 1 406 . 1 1 90 90 GLY N N 15 108.59 0.1 . 1 . . . . 579 GLY N . 18652 1 407 . 1 1 91 91 LYS H H 1 8.54 0.02 . 1 . . . . 580 LYS H . 18652 1 408 . 1 1 91 91 LYS HA H 1 4.32 0.02 . 1 . . . . 580 LYS HA . 18652 1 409 . 1 1 91 91 LYS C C 13 173.92 0.2 . 1 . . . . 580 LYS C . 18652 1 410 . 1 1 91 91 LYS CA C 13 52.85 0.2 . 1 . . . . 580 LYS CA . 18652 1 411 . 1 1 91 91 LYS N N 15 121.08 0.1 . 1 . . . . 580 LYS N . 18652 1 412 . 1 1 92 92 PRO C C 13 173.16 0.2 . 1 . . . . 581 PRO C . 18652 1 413 . 1 1 92 92 PRO CA C 13 60.91 0.2 . 1 . . . . 581 PRO CA . 18652 1 414 . 1 1 93 93 ARG H H 1 6.57 0.02 . 1 . . . . 582 ARG H . 18652 1 415 . 1 1 93 93 ARG HA H 1 3.95 0.02 . 1 . . . . 582 ARG HA . 18652 1 416 . 1 1 93 93 ARG C C 13 172.87 0.2 . 1 . . . . 582 ARG C . 18652 1 417 . 1 1 93 93 ARG CA C 13 54.48 0.2 . 1 . . . . 582 ARG CA . 18652 1 418 . 1 1 93 93 ARG N N 15 120.64 0.1 . 1 . . . . 582 ARG N . 18652 1 419 . 1 1 94 94 TYR H H 1 7.89 0.02 . 1 . . . . 583 TYR H . 18652 1 420 . 1 1 94 94 TYR HA H 1 4.88 0.02 . 1 . . . . 583 TYR HA . 18652 1 421 . 1 1 94 94 TYR C C 13 172.38 0.2 . 1 . . . . 583 TYR C . 18652 1 422 . 1 1 94 94 TYR CA C 13 53.49 0.2 . 1 . . . . 583 TYR CA . 18652 1 423 . 1 1 94 94 TYR N N 15 117.14 0.1 . 1 . . . . 583 TYR N . 18652 1 424 . 1 1 95 95 ARG H H 1 8.55 0.02 . 1 . . . . 584 ARG H . 18652 1 425 . 1 1 95 95 ARG HA H 1 4.28 0.02 . 1 . . . . 584 ARG HA . 18652 1 426 . 1 1 95 95 ARG C C 13 173.14 0.2 . 1 . . . . 584 ARG C . 18652 1 427 . 1 1 95 95 ARG CA C 13 28.04 0.2 . 1 . . . . 584 ARG CA . 18652 1 428 . 1 1 95 95 ARG N N 15 120.46 0.1 . 1 . . . . 584 ARG N . 18652 1 429 . 1 1 96 96 TYR H H 1 8.35 0.02 . 1 . . . . 585 TYR H . 18652 1 430 . 1 1 96 96 TYR HA H 1 4.29 0.02 . 1 . . . . 585 TYR HA . 18652 1 431 . 1 1 96 96 TYR C C 13 173.01 0.2 . 1 . . . . 585 TYR C . 18652 1 432 . 1 1 96 96 TYR CA C 13 55.27 0.2 . 1 . . . . 585 TYR CA . 18652 1 433 . 1 1 96 96 TYR N N 15 121.79 0.1 . 1 . . . . 585 TYR N . 18652 1 434 . 1 1 97 97 GLY H H 1 8.32 0.02 . 1 . . . . 586 GLY H . 18652 1 435 . 1 1 97 97 GLY HA2 H 1 3.88 0.02 . . . . . . 586 GLY HA2 . 18652 1 436 . 1 1 97 97 GLY HA3 H 1 3.88 0.02 . . . . . . 586 GLY HA3 . 18652 1 437 . 1 1 97 97 GLY C C 13 171.17 0.2 . 1 . . . . 586 GLY C . 18652 1 438 . 1 1 97 97 GLY CA C 13 42.69 0.2 . 1 . . . . 586 GLY CA . 18652 1 439 . 1 1 97 97 GLY N N 15 112.81 0.1 . 1 . . . . 586 GLY N . 18652 1 440 . 1 1 98 98 LEU H H 1 7.96 0.02 . 1 . . . . 587 LEU H . 18652 1 441 . 1 1 98 98 LEU HA H 1 4.35 0.02 . 1 . . . . 587 LEU HA . 18652 1 442 . 1 1 98 98 LEU C C 13 174.52 0.2 . 1 . . . . 587 LEU C . 18652 1 443 . 1 1 98 98 LEU CA C 13 52.79 0.2 . 1 . . . . 587 LEU CA . 18652 1 444 . 1 1 98 98 LEU N N 15 121.73 0.1 . 1 . . . . 587 LEU N . 18652 1 445 . 1 1 99 99 ALA H H 1 8.27 0.02 . 1 . . . . 588 ALA H . 18652 1 446 . 1 1 99 99 ALA HA H 1 4.38 0.02 . 1 . . . . 588 ALA HA . 18652 1 447 . 1 1 99 99 ALA C C 13 175.04 0.2 . 1 . . . . 588 ALA C . 18652 1 448 . 1 1 99 99 ALA CA C 13 50.22 0.2 . 1 . . . . 588 ALA CA . 18652 1 449 . 1 1 99 99 ALA N N 15 123.98 0.1 . 1 . . . . 588 ALA N . 18652 1 450 . 1 1 100 100 GLU H H 1 8.26 0.02 . 1 . . . . 589 GLU H . 18652 1 451 . 1 1 100 100 GLU HA H 1 4.30 0.02 . 1 . . . . 589 GLU HA . 18652 1 452 . 1 1 100 100 GLU C C 13 173.84 0.2 . 1 . . . . 589 GLU C . 18652 1 453 . 1 1 100 100 GLU CA C 13 54.48 0.2 . 1 . . . . 589 GLU CA . 18652 1 454 . 1 1 100 100 GLU N N 15 119.75 0.1 . 1 . . . . 589 GLU N . 18652 1 455 . 1 1 101 101 ARG H H 1 8.2 0.02 . 1 . . . . 590 ARG H . 18652 1 456 . 1 1 101 101 ARG HA H 1 4.40 0.02 . 1 . . . . 590 ARG HA . 18652 1 457 . 1 1 101 101 ARG C C 13 173.8 0.2 . 1 . . . . 590 ARG C . 18652 1 458 . 1 1 101 101 ARG CA C 13 53.68 0.2 . 1 . . . . 590 ARG CA . 18652 1 459 . 1 1 101 101 ARG N N 15 120.45 0.1 . 1 . . . . 590 ARG N . 18652 1 460 . 1 1 102 102 GLU H H 1 8.5 0.02 . 1 . . . . 591 GLU H . 18652 1 461 . 1 1 102 102 GLU HA H 1 4.30 0.02 . 1 . . . . 591 GLU HA . 18652 1 462 . 1 1 102 102 GLU C C 13 173.65 0.2 . 1 . . . . 591 GLU C . 18652 1 463 . 1 1 102 102 GLU CA C 13 54.48 0.2 . 1 . . . . 591 GLU CA . 18652 1 464 . 1 1 102 102 GLU N N 15 121.76 0.1 . 1 . . . . 591 GLU N . 18652 1 465 . 1 1 103 103 ASP H H 1 8.36 0.02 . 1 . . . . 592 ASP H . 18652 1 466 . 1 1 103 103 ASP HA H 1 4.61 0.02 . 1 . . . . 592 ASP HA . 18652 1 467 . 1 1 103 103 ASP C C 13 173.58 0.2 . 1 . . . . 592 ASP C . 18652 1 468 . 1 1 103 103 ASP CA C 13 51.9 0.2 . 1 . . . . 592 ASP CA . 18652 1 469 . 1 1 103 103 ASP N N 15 120.25 0.1 . 1 . . . . 592 ASP N . 18652 1 470 . 1 1 104 104 GLN H H 1 8.19 0.02 . 1 . . . . 593 GLN H . 18652 1 471 . 1 1 104 104 GLN HA H 1 4.40 0.02 . 1 . . . . 593 GLN HA . 18652 1 472 . 1 1 104 104 GLN C C 13 173.48 0.2 . 1 . . . . 593 GLN C . 18652 1 473 . 1 1 104 104 GLN CA C 13 53.29 0.2 . 1 . . . . 593 GLN CA . 18652 1 474 . 1 1 104 104 GLN N N 15 119.93 0.1 . 1 . . . . 593 GLN N . 18652 1 475 . 1 1 105 105 VAL H H 1 8.11 0.02 . 1 . . . . 594 VAL H . 18652 1 476 . 1 1 105 105 VAL HA H 1 4.14 0.02 . 1 . . . . 594 VAL HA . 18652 1 477 . 1 1 105 105 VAL C C 13 174.18 0.2 . 1 . . . . 594 VAL C . 18652 1 478 . 1 1 105 105 VAL CA C 13 60.32 0.2 . 1 . . . . 594 VAL CA . 18652 1 479 . 1 1 105 105 VAL N N 15 121.08 0.1 . 1 . . . . 594 VAL N . 18652 1 480 . 1 1 106 106 GLY H H 1 8.45 0.02 . 1 . . . . 595 GLY H . 18652 1 481 . 1 1 106 106 GLY HA2 H 1 4.00 0.02 . . . . . . 595 GLY HA2 . 18652 1 482 . 1 1 106 106 GLY HA3 H 1 4.00 0.02 . . . . . . 595 GLY HA3 . 18652 1 483 . 1 1 106 106 GLY C C 13 171.19 0.2 . 1 . . . . 595 GLY C . 18652 1 484 . 1 1 106 106 GLY CA C 13 42.89 0.2 . 1 . . . . 595 GLY CA . 18652 1 485 . 1 1 106 106 GLY N N 15 112.17 0.1 . 1 . . . . 595 GLY N . 18652 1 486 . 1 1 107 107 ALA H H 1 8.06 0.02 . 1 . . . . 596 ALA H . 18652 1 487 . 1 1 107 107 ALA HA H 1 4.42 0.02 . 1 . . . . 596 ALA HA . 18652 1 488 . 1 1 107 107 ALA C C 13 175.24 0.2 . 1 . . . . 596 ALA C . 18652 1 489 . 1 1 107 107 ALA CA C 13 49.92 0.2 . 1 . . . . 596 ALA CA . 18652 1 490 . 1 1 107 107 ALA N N 15 123.59 0.1 . 1 . . . . 596 ALA N . 18652 1 491 . 1 1 108 108 VAL H H 1 8.17 0.02 . 1 . . . . 597 VAL H . 18652 1 492 . 1 1 108 108 VAL HA H 1 4.26 0.02 . 1 . . . . 597 VAL HA . 18652 1 493 . 1 1 108 108 VAL C C 13 173.78 0.2 . 1 . . . . 597 VAL C . 18652 1 494 . 1 1 108 108 VAL CA C 13 59.92 0.2 . 1 . . . . 597 VAL CA . 18652 1 495 . 1 1 108 108 VAL N N 15 119.08 0.1 . 1 . . . . 597 VAL N . 18652 1 496 . 1 1 109 109 THR H H 1 8.13 0.02 . 1 . . . . 598 THR H . 18652 1 497 . 1 1 109 109 THR HA H 1 4.40 0.02 . 1 . . . . 598 THR HA . 18652 1 498 . 1 1 109 109 THR C C 13 172.38 0.2 . 1 . . . . 598 THR C . 18652 1 499 . 1 1 109 109 THR CA C 13 59.43 0.2 . 1 . . . . 598 THR CA . 18652 1 500 . 1 1 109 109 THR N N 15 116.9 0.1 . 1 . . . . 598 THR N . 18652 1 501 . 1 1 110 110 GLY H H 1 8.34 0.02 . 1 . . . . 599 GLY H . 18652 1 502 . 1 1 110 110 GLY HA2 H 1 4.02 0.02 . . . . . . 599 GLY HA2 . 18652 1 503 . 1 1 110 110 GLY HA3 H 1 4.02 0.02 . . . . . . 599 GLY HA3 . 18652 1 504 . 1 1 110 110 GLY C C 13 170.43 0.2 . 1 . . . . 599 GLY C . 18652 1 505 . 1 1 110 110 GLY CA C 13 42.79 0.2 . 1 . . . . 599 GLY CA . 18652 1 506 . 1 1 110 110 GLY N N 15 111.35 0.1 . 1 . . . . 599 GLY N . 18652 1 507 . 1 1 111 111 LEU H H 1 7.74 0.02 . 1 . . . . 600 LEU H . 18652 1 508 . 1 1 111 111 LEU HA H 1 4.27 0.02 . 1 . . . . 600 LEU HA . 18652 1 509 . 1 1 111 111 LEU C C 13 170.43 0.2 . 1 . . . . 600 LEU C . 18652 1 510 . 1 1 111 111 LEU CA C 13 54.28 0.2 . 1 . . . . 600 LEU CA . 18652 1 511 . 1 1 111 111 LEU N N 15 127.26 0.1 . 1 . . . . 600 LEU N . 18652 1 512 . 1 1 112 112 ALA C C 13 175.34 0.2 . 1 . . . . 601 ALA C . 18652 1 513 . 1 1 112 112 ALA CA C 13 49.88 0.2 . 1 . . . . 601 ALA CA . 18652 1 514 . 1 1 113 113 TRP H H 1 8.15 0.02 . 1 . . . . 602 TRP H . 18652 1 515 . 1 1 113 113 TRP C C 13 174.03 0.2 . 1 . . . . 602 TRP C . 18652 1 516 . 1 1 113 113 TRP CA C 13 59.91 0.2 . 1 . . . . 602 TRP CA . 18652 1 517 . 1 1 113 113 TRP N N 15 118.79 0.1 . 1 . . . . 602 TRP N . 18652 1 518 . 1 1 114 114 THR H H 1 7.68 0.02 . 1 . . . . 603 THR H . 18652 1 519 . 1 1 114 114 THR CA C 13 59.9 0.2 . 1 . . . . 603 THR CA . 18652 1 520 . 1 1 114 114 THR N N 15 114.52 0.1 . 1 . . . . 603 THR N . 18652 1 stop_ save_