data_50602 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50602 _Entry.Title ; Backbone assignment for human Mad1-CTD (597-718) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-30 _Entry.Accession_date 2020-11-30 _Entry.Last_release_date 2020-11-30 _Entry.Original_release_date 2020-11-30 _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 Elyse Fischer . . . . 50602 2 Conny Yu . W.H. . . 50602 3 Dom Bellini . . . . 50602 4 Stephen McLaughlin . H. . . 50602 5 Christian Orr . . . . 50602 6 Armin Wagner . . . . 50602 7 Stefan Freund . M.V. . . 50602 8 David Barford . . . . 50602 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50602 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 50602 '15N chemical shifts' 112 50602 '1H chemical shifts' 112 50602 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-05-25 2020-11-30 update BMRB 'update entry citation' 50602 1 . . 2021-04-01 2020-11-30 original author 'original release' 50602 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50602 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34013668 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular mechanism of Mad1 kinetochore targeting by phosphorylated Bub1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO Reports' _Citation.Journal_name_full . _Citation.Journal_volume 19 _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 e52242 _Citation.Page_last e52242 _Citation.Year 2021 _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 Elyse Fischer . . . . 50602 1 2 Conny Yu . W.H. . . 50602 1 3 Dom Bellini . . . . 50602 1 4 Stephen McLaughlin . H. . . 50602 1 5 Christian Orr . . . . 50602 1 6 Armin Wagner . . . . 50602 1 7 Stefan Freund . M.V. . . 50602 1 8 David Barford . . . . 50602 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50602 _Assembly.ID 1 _Assembly.Name Mad1-CTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Mad1-CTD 1 $entity_1 . . yes native no no . . . 50602 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50602 _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 ; SSKEVAELKKQVESAELKNQ RLKEVFQTKIQEFRKACYTL TGYQIDITTENQYRLTSLYA EHPGDCLIFKATSPSGSKMQ LLETEFSHTVGELIEVHLRR QDSIPAFLSSLTLELFSRQT VA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 597 SER . 50602 1 2 598 SER . 50602 1 3 599 LYS . 50602 1 4 600 GLU . 50602 1 5 601 VAL . 50602 1 6 602 ALA . 50602 1 7 603 GLU . 50602 1 8 604 LEU . 50602 1 9 605 LYS . 50602 1 10 606 LYS . 50602 1 11 607 GLN . 50602 1 12 608 VAL . 50602 1 13 609 GLU . 50602 1 14 610 SER . 50602 1 15 611 ALA . 50602 1 16 612 GLU . 50602 1 17 613 LEU . 50602 1 18 614 LYS . 50602 1 19 615 ASN . 50602 1 20 616 GLN . 50602 1 21 617 ARG . 50602 1 22 618 LEU . 50602 1 23 619 LYS . 50602 1 24 620 GLU . 50602 1 25 621 VAL . 50602 1 26 622 PHE . 50602 1 27 623 GLN . 50602 1 28 624 THR . 50602 1 29 625 LYS . 50602 1 30 626 ILE . 50602 1 31 627 GLN . 50602 1 32 628 GLU . 50602 1 33 629 PHE . 50602 1 34 630 ARG . 50602 1 35 631 LYS . 50602 1 36 632 ALA . 50602 1 37 633 CYS . 50602 1 38 634 TYR . 50602 1 39 635 THR . 50602 1 40 636 LEU . 50602 1 41 637 THR . 50602 1 42 638 GLY . 50602 1 43 639 TYR . 50602 1 44 640 GLN . 50602 1 45 641 ILE . 50602 1 46 642 ASP . 50602 1 47 643 ILE . 50602 1 48 644 THR . 50602 1 49 645 THR . 50602 1 50 646 GLU . 50602 1 51 647 ASN . 50602 1 52 648 GLN . 50602 1 53 649 TYR . 50602 1 54 650 ARG . 50602 1 55 651 LEU . 50602 1 56 652 THR . 50602 1 57 653 SER . 50602 1 58 654 LEU . 50602 1 59 655 TYR . 50602 1 60 656 ALA . 50602 1 61 657 GLU . 50602 1 62 658 HIS . 50602 1 63 659 PRO . 50602 1 64 660 GLY . 50602 1 65 661 ASP . 50602 1 66 662 CYS . 50602 1 67 663 LEU . 50602 1 68 664 ILE . 50602 1 69 665 PHE . 50602 1 70 666 LYS . 50602 1 71 667 ALA . 50602 1 72 668 THR . 50602 1 73 669 SER . 50602 1 74 670 PRO . 50602 1 75 671 SER . 50602 1 76 672 GLY . 50602 1 77 673 SER . 50602 1 78 674 LYS . 50602 1 79 675 MET . 50602 1 80 676 GLN . 50602 1 81 677 LEU . 50602 1 82 678 LEU . 50602 1 83 679 GLU . 50602 1 84 680 THR . 50602 1 85 681 GLU . 50602 1 86 682 PHE . 50602 1 87 683 SER . 50602 1 88 684 HIS . 50602 1 89 685 THR . 50602 1 90 686 VAL . 50602 1 91 687 GLY . 50602 1 92 688 GLU . 50602 1 93 689 LEU . 50602 1 94 690 ILE . 50602 1 95 691 GLU . 50602 1 96 692 VAL . 50602 1 97 693 HIS . 50602 1 98 694 LEU . 50602 1 99 695 ARG . 50602 1 100 696 ARG . 50602 1 101 697 GLN . 50602 1 102 698 ASP . 50602 1 103 699 SER . 50602 1 104 700 ILE . 50602 1 105 701 PRO . 50602 1 106 702 ALA . 50602 1 107 703 PHE . 50602 1 108 704 LEU . 50602 1 109 705 SER . 50602 1 110 706 SER . 50602 1 111 707 LEU . 50602 1 112 708 THR . 50602 1 113 709 LEU . 50602 1 114 710 GLU . 50602 1 115 711 LEU . 50602 1 116 712 PHE . 50602 1 117 713 SER . 50602 1 118 714 ARG . 50602 1 119 715 GLN . 50602 1 120 716 THR . 50602 1 121 717 VAL . 50602 1 122 718 ALA . 50602 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 50602 1 . SER 2 2 50602 1 . LYS 3 3 50602 1 . GLU 4 4 50602 1 . VAL 5 5 50602 1 . ALA 6 6 50602 1 . GLU 7 7 50602 1 . LEU 8 8 50602 1 . LYS 9 9 50602 1 . LYS 10 10 50602 1 . GLN 11 11 50602 1 . VAL 12 12 50602 1 . GLU 13 13 50602 1 . SER 14 14 50602 1 . ALA 15 15 50602 1 . GLU 16 16 50602 1 . LEU 17 17 50602 1 . LYS 18 18 50602 1 . ASN 19 19 50602 1 . GLN 20 20 50602 1 . ARG 21 21 50602 1 . LEU 22 22 50602 1 . LYS 23 23 50602 1 . GLU 24 24 50602 1 . VAL 25 25 50602 1 . PHE 26 26 50602 1 . GLN 27 27 50602 1 . THR 28 28 50602 1 . LYS 29 29 50602 1 . ILE 30 30 50602 1 . GLN 31 31 50602 1 . GLU 32 32 50602 1 . PHE 33 33 50602 1 . ARG 34 34 50602 1 . LYS 35 35 50602 1 . ALA 36 36 50602 1 . CYS 37 37 50602 1 . TYR 38 38 50602 1 . THR 39 39 50602 1 . LEU 40 40 50602 1 . THR 41 41 50602 1 . GLY 42 42 50602 1 . TYR 43 43 50602 1 . GLN 44 44 50602 1 . ILE 45 45 50602 1 . ASP 46 46 50602 1 . ILE 47 47 50602 1 . THR 48 48 50602 1 . THR 49 49 50602 1 . GLU 50 50 50602 1 . ASN 51 51 50602 1 . GLN 52 52 50602 1 . TYR 53 53 50602 1 . ARG 54 54 50602 1 . LEU 55 55 50602 1 . THR 56 56 50602 1 . SER 57 57 50602 1 . LEU 58 58 50602 1 . TYR 59 59 50602 1 . ALA 60 60 50602 1 . GLU 61 61 50602 1 . HIS 62 62 50602 1 . PRO 63 63 50602 1 . GLY 64 64 50602 1 . ASP 65 65 50602 1 . CYS 66 66 50602 1 . LEU 67 67 50602 1 . ILE 68 68 50602 1 . PHE 69 69 50602 1 . LYS 70 70 50602 1 . ALA 71 71 50602 1 . THR 72 72 50602 1 . SER 73 73 50602 1 . PRO 74 74 50602 1 . SER 75 75 50602 1 . GLY 76 76 50602 1 . SER 77 77 50602 1 . LYS 78 78 50602 1 . MET 79 79 50602 1 . GLN 80 80 50602 1 . LEU 81 81 50602 1 . LEU 82 82 50602 1 . GLU 83 83 50602 1 . THR 84 84 50602 1 . GLU 85 85 50602 1 . PHE 86 86 50602 1 . SER 87 87 50602 1 . HIS 88 88 50602 1 . THR 89 89 50602 1 . VAL 90 90 50602 1 . GLY 91 91 50602 1 . GLU 92 92 50602 1 . LEU 93 93 50602 1 . ILE 94 94 50602 1 . GLU 95 95 50602 1 . VAL 96 96 50602 1 . HIS 97 97 50602 1 . LEU 98 98 50602 1 . ARG 99 99 50602 1 . ARG 100 100 50602 1 . GLN 101 101 50602 1 . ASP 102 102 50602 1 . SER 103 103 50602 1 . ILE 104 104 50602 1 . PRO 105 105 50602 1 . ALA 106 106 50602 1 . PHE 107 107 50602 1 . LEU 108 108 50602 1 . SER 109 109 50602 1 . SER 110 110 50602 1 . LEU 111 111 50602 1 . THR 112 112 50602 1 . LEU 113 113 50602 1 . GLU 114 114 50602 1 . LEU 115 115 50602 1 . PHE 116 116 50602 1 . SER 117 117 50602 1 . ARG 118 118 50602 1 . GLN 119 119 50602 1 . THR 120 120 50602 1 . VAL 121 121 50602 1 . ALA 122 122 50602 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 50602 _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 . . . . . . . . . . . . . 50602 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 50602 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pRSFDuet-1 . . . 50602 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50602 _Sample.ID 1 _Sample.Name Mad1-CTD _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 Mad1-CTD '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 100 . . uM . . . . 50602 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 50602 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50602 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 50602 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50602 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 50602 _Sample_condition_list.ID 1 _Sample_condition_list.Name '50mM HEPES, pH 7.0, 100mM NaCl, 2mM TCEP, 0.02% NaN3' _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 pH 7.0 . pH 50602 1 pressure 1 . atm 50602 1 temperature 298 . K 50602 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50602 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50602 1 processing . 50602 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50602 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.47 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50602 2 'data analysis' . 50602 2 'peak picking' . 50602 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50602 _Software.ID 3 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50602 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50602 _Software.ID 4 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50602 4 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 50602 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50602 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name '600 MHz Avance III' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50602 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50602 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50602 1 3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50602 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50602 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50602 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50602 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50602 1 8 '3D HN(COCA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50602 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50602 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CS Reference' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 na indirect . . . . . . 50602 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 50602 1 N 15 water protons . . . . ppm 4.7 na indirect . . . . . . 50602 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 50602 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Mad1-CTD _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' . . . 50602 1 3 '3D HN(CA)CO' . . . 50602 1 4 '3D HNCACB' . . . 50602 1 5 '3D HN(CO)CACB' . . . 50602 1 6 '3D HNCA' . . . 50602 1 7 '3D HN(CO)CA' . . . 50602 1 8 '3D HN(COCA)NNH' . . . 50602 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50602 1 4 $software_4 . . 50602 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 SER C C 13 175.64 . . . . . . . . 598 SER C . 50602 1 2 . 1 . 1 2 2 SER CA C 13 56.97 . . . . . . . . 598 SER CA . 50602 1 3 . 1 . 1 3 3 LYS H H 1 8.54 . . . . . . . . 599 LYS H . 50602 1 4 . 1 . 1 3 3 LYS C C 13 177.96 . . . . . . . . 599 LYS C . 50602 1 5 . 1 . 1 3 3 LYS CA C 13 58.49 . . . . . . . . 599 LYS CA . 50602 1 6 . 1 . 1 3 3 LYS CB C 13 31.21 . . . . . . . . 599 LYS CB . 50602 1 7 . 1 . 1 3 3 LYS N N 15 125.08 . . . . . . . . 599 LYS N . 50602 1 8 . 1 . 1 4 4 GLU H H 1 8.07 . . . . . . . . 600 GLU H . 50602 1 9 . 1 . 1 4 4 GLU C C 13 178.85 . . . . . . . . 600 GLU C . 50602 1 10 . 1 . 1 4 4 GLU CA C 13 58.74 . . . . . . . . 600 GLU CA . 50602 1 11 . 1 . 1 4 4 GLU CB C 13 28.96 . . . . . . . . 600 GLU CB . 50602 1 12 . 1 . 1 4 4 GLU N N 15 119.88 . . . . . . . . 600 GLU N . 50602 1 13 . 1 . 1 5 5 VAL H H 1 7.58 . . . . . . . . 601 VAL H . 50602 1 14 . 1 . 1 5 5 VAL C C 13 177.00 . . . . . . . . 601 VAL C . 50602 1 15 . 1 . 1 5 5 VAL CA C 13 66.17 . . . . . . . . 601 VAL CA . 50602 1 16 . 1 . 1 5 5 VAL N N 15 119.41 . . . . . . . . 601 VAL N . 50602 1 17 . 1 . 1 6 6 ALA H H 1 7.83 . . . . . . . . 602 ALA H . 50602 1 18 . 1 . 1 6 6 ALA C C 13 181.12 . . . . . . . . 602 ALA C . 50602 1 19 . 1 . 1 6 6 ALA CA C 13 54.77 . . . . . . . . 602 ALA CA . 50602 1 20 . 1 . 1 6 6 ALA CB C 13 17.17 . . . . . . . . 602 ALA CB . 50602 1 21 . 1 . 1 6 6 ALA N N 15 121.72 . . . . . . . . 602 ALA N . 50602 1 22 . 1 . 1 7 7 GLU H H 1 7.97 . . . . . . . . 603 GLU H . 50602 1 23 . 1 . 1 7 7 GLU C C 13 179.56 . . . . . . . . 603 GLU C . 50602 1 24 . 1 . 1 7 7 GLU CA C 13 58.49 . . . . . . . . 603 GLU CA . 50602 1 25 . 1 . 1 7 7 GLU CB C 13 28.35 . . . . . . . . 603 GLU CB . 50602 1 26 . 1 . 1 7 7 GLU N N 15 118.34 . . . . . . . . 603 GLU N . 50602 1 27 . 1 . 1 8 8 LEU H H 1 7.97 . . . . . . . . 604 LEU H . 50602 1 28 . 1 . 1 8 8 LEU C C 13 179.23 . . . . . . . . 604 LEU C . 50602 1 29 . 1 . 1 8 8 LEU CA C 13 57.46 . . . . . . . . 604 LEU CA . 50602 1 30 . 1 . 1 8 8 LEU CB C 13 41.97 . . . . . . . . 604 LEU CB . 50602 1 31 . 1 . 1 8 8 LEU N N 15 122.28 . . . . . . . . 604 LEU N . 50602 1 32 . 1 . 1 9 9 LYS H H 1 8.54 . . . . . . . . 605 LYS H . 50602 1 33 . 1 . 1 9 9 LYS C C 13 179.80 . . . . . . . . 605 LYS C . 50602 1 34 . 1 . 1 9 9 LYS CA C 13 59.93 . . . . . . . . 605 LYS CA . 50602 1 35 . 1 . 1 9 9 LYS CB C 13 31.05 . . . . . . . . 605 LYS CB . 50602 1 36 . 1 . 1 9 9 LYS N N 15 119.79 . . . . . . . . 605 LYS N . 50602 1 37 . 1 . 1 10 10 LYS H H 1 7.44 . . . . . . . . 606 LYS H . 50602 1 38 . 1 . 1 10 10 LYS C C 13 179.30 . . . . . . . . 606 LYS C . 50602 1 39 . 1 . 1 10 10 LYS CA C 13 58.42 . . . . . . . . 606 LYS CA . 50602 1 40 . 1 . 1 10 10 LYS CB C 13 31.05 . . . . . . . . 606 LYS CB . 50602 1 41 . 1 . 1 10 10 LYS N N 15 119.53 . . . . . . . . 606 LYS N . 50602 1 42 . 1 . 1 11 11 GLN H H 1 7.84 . . . . . . . . 607 GLN H . 50602 1 43 . 1 . 1 11 11 GLN C C 13 179.68 . . . . . . . . 607 GLN C . 50602 1 44 . 1 . 1 11 11 GLN CA C 13 58.70 . . . . . . . . 607 GLN CA . 50602 1 45 . 1 . 1 11 11 GLN CB C 13 27.74 . . . . . . . . 607 GLN CB . 50602 1 46 . 1 . 1 11 11 GLN N N 15 121.54 . . . . . . . . 607 GLN N . 50602 1 47 . 1 . 1 12 12 VAL H H 1 8.31 . . . . . . . . 608 VAL H . 50602 1 48 . 1 . 1 12 12 VAL C C 13 177.62 . . . . . . . . 608 VAL C . 50602 1 49 . 1 . 1 12 12 VAL CA C 13 66.94 . . . . . . . . 608 VAL CA . 50602 1 50 . 1 . 1 12 12 VAL CB C 13 31.09 . . . . . . . . 608 VAL CB . 50602 1 51 . 1 . 1 12 12 VAL N N 15 122.77 . . . . . . . . 608 VAL N . 50602 1 52 . 1 . 1 13 13 GLU H H 1 7.22 . . . . . . . . 609 GLU H . 50602 1 53 . 1 . 1 13 13 GLU C C 13 179.70 . . . . . . . . 609 GLU C . 50602 1 54 . 1 . 1 13 13 GLU CA C 13 54.40 . . . . . . . . 609 GLU CA . 50602 1 55 . 1 . 1 13 13 GLU CB C 13 29.58 . . . . . . . . 609 GLU CB . 50602 1 56 . 1 . 1 13 13 GLU N N 15 116.28 . . . . . . . . 609 GLU N . 50602 1 57 . 1 . 1 14 14 SER H H 1 8.40 . . . . . . . . 610 SER H . 50602 1 58 . 1 . 1 14 14 SER C C 13 176.92 . . . . . . . . 610 SER C . 50602 1 59 . 1 . 1 14 14 SER CA C 13 60.96 . . . . . . . . 610 SER CA . 50602 1 60 . 1 . 1 14 14 SER CB C 13 62.39 . . . . . . . . 610 SER CB . 50602 1 61 . 1 . 1 14 14 SER N N 15 114.90 . . . . . . . . 610 SER N . 50602 1 62 . 1 . 1 15 15 ALA H H 1 8.04 . . . . . . . . 611 ALA H . 50602 1 63 . 1 . 1 15 15 ALA C C 13 180.54 . . . . . . . . 611 ALA C . 50602 1 64 . 1 . 1 15 15 ALA CA C 13 54.74 . . . . . . . . 611 ALA CA . 50602 1 65 . 1 . 1 15 15 ALA CB C 13 17.45 . . . . . . . . 611 ALA CB . 50602 1 66 . 1 . 1 15 15 ALA N N 15 125.37 . . . . . . . . 611 ALA N . 50602 1 67 . 1 . 1 16 16 GLU H H 1 8.27 . . . . . . . . 612 GLU H . 50602 1 68 . 1 . 1 16 16 GLU C C 13 179.74 . . . . . . . . 612 GLU C . 50602 1 69 . 1 . 1 16 16 GLU CA C 13 58.74 . . . . . . . . 612 GLU CA . 50602 1 70 . 1 . 1 16 16 GLU CB C 13 27.86 . . . . . . . . 612 GLU CB . 50602 1 71 . 1 . 1 16 16 GLU N N 15 120.19 . . . . . . . . 612 GLU N . 50602 1 72 . 1 . 1 17 17 LEU H H 1 8.04 . . . . . . . . 613 LEU H . 50602 1 73 . 1 . 1 17 17 LEU C C 13 179.77 . . . . . . . . 613 LEU C . 50602 1 74 . 1 . 1 17 17 LEU CA C 13 57.51 . . . . . . . . 613 LEU CA . 50602 1 75 . 1 . 1 17 17 LEU CB C 13 40.38 . . . . . . . . 613 LEU CB . 50602 1 76 . 1 . 1 17 17 LEU N N 15 122.79 . . . . . . . . 613 LEU N . 50602 1 77 . 1 . 1 18 18 LYS H H 1 7.95 . . . . . . . . 614 LYS H . 50602 1 78 . 1 . 1 18 18 LYS C C 13 178.89 . . . . . . . . 614 LYS C . 50602 1 79 . 1 . 1 18 18 LYS CA C 13 59.20 . . . . . . . . 614 LYS CA . 50602 1 80 . 1 . 1 18 18 LYS CB C 13 31.00 . . . . . . . . 614 LYS CB . 50602 1 81 . 1 . 1 18 18 LYS N N 15 120.15 . . . . . . . . 614 LYS N . 50602 1 82 . 1 . 1 19 19 ASN H H 1 7.69 . . . . . . . . 615 ASN H . 50602 1 83 . 1 . 1 19 19 ASN C C 13 176.94 . . . . . . . . 615 ASN C . 50602 1 84 . 1 . 1 19 19 ASN CA C 13 56.68 . . . . . . . . 615 ASN CA . 50602 1 85 . 1 . 1 19 19 ASN CB C 13 38.13 . . . . . . . . 615 ASN CB . 50602 1 86 . 1 . 1 19 19 ASN N N 15 119.62 . . . . . . . . 615 ASN N . 50602 1 87 . 1 . 1 20 20 GLN H H 1 7.79 . . . . . . . . 616 GLN H . 50602 1 88 . 1 . 1 20 20 GLN C C 13 178.82 . . . . . . . . 616 GLN C . 50602 1 89 . 1 . 1 20 20 GLN CA C 13 58.35 . . . . . . . . 616 GLN CA . 50602 1 90 . 1 . 1 20 20 GLN CB C 13 27.32 . . . . . . . . 616 GLN CB . 50602 1 91 . 1 . 1 20 20 GLN N N 15 119.70 . . . . . . . . 616 GLN N . 50602 1 92 . 1 . 1 21 21 ARG H H 1 8.12 . . . . . . . . 617 ARG H . 50602 1 93 . 1 . 1 21 21 ARG C C 13 178.73 . . . . . . . . 617 ARG C . 50602 1 94 . 1 . 1 21 21 ARG CA C 13 58.15 . . . . . . . . 617 ARG CA . 50602 1 95 . 1 . 1 21 21 ARG CB C 13 28.49 . . . . . . . . 617 ARG CB . 50602 1 96 . 1 . 1 21 21 ARG N N 15 119.86 . . . . . . . . 617 ARG N . 50602 1 97 . 1 . 1 22 22 LEU H H 1 8.18 . . . . . . . . 618 LEU H . 50602 1 98 . 1 . 1 22 22 LEU C C 13 178.65 . . . . . . . . 618 LEU C . 50602 1 99 . 1 . 1 22 22 LEU CA C 13 57.21 . . . . . . . . 618 LEU CA . 50602 1 100 . 1 . 1 22 22 LEU CB C 13 40.94 . . . . . . . . 618 LEU CB . 50602 1 101 . 1 . 1 22 22 LEU N N 15 120.47 . . . . . . . . 618 LEU N . 50602 1 102 . 1 . 1 23 23 LYS H H 1 7.65 . . . . . . . . 619 LYS H . 50602 1 103 . 1 . 1 23 23 LYS C C 13 178.76 . . . . . . . . 619 LYS C . 50602 1 104 . 1 . 1 23 23 LYS CA C 13 59.62 . . . . . . . . 619 LYS CA . 50602 1 105 . 1 . 1 23 23 LYS CB C 13 31.26 . . . . . . . . 619 LYS CB . 50602 1 106 . 1 . 1 23 23 LYS N N 15 118.44 . . . . . . . . 619 LYS N . 50602 1 107 . 1 . 1 24 24 GLU H H 1 7.53 . . . . . . . . 620 GLU H . 50602 1 108 . 1 . 1 24 24 GLU C C 13 179.53 . . . . . . . . 620 GLU C . 50602 1 109 . 1 . 1 24 24 GLU CA C 13 58.77 . . . . . . . . 620 GLU CA . 50602 1 110 . 1 . 1 24 24 GLU CB C 13 28.70 . . . . . . . . 620 GLU CB . 50602 1 111 . 1 . 1 24 24 GLU N N 15 119.33 . . . . . . . . 620 GLU N . 50602 1 112 . 1 . 1 25 25 VAL H H 1 8.21 . . . . . . . . 621 VAL H . 50602 1 113 . 1 . 1 25 25 VAL C C 13 178.78 . . . . . . . . 621 VAL C . 50602 1 114 . 1 . 1 25 25 VAL CA C 13 65.88 . . . . . . . . 621 VAL CA . 50602 1 115 . 1 . 1 25 25 VAL CB C 13 30.51 . . . . . . . . 621 VAL CB . 50602 1 116 . 1 . 1 25 25 VAL N N 15 122.10 . . . . . . . . 621 VAL N . 50602 1 117 . 1 . 1 26 26 PHE H H 1 8.10 . . . . . . . . 622 PHE H . 50602 1 118 . 1 . 1 26 26 PHE C C 13 177.54 . . . . . . . . 622 PHE C . 50602 1 119 . 1 . 1 26 26 PHE CA C 13 59.60 . . . . . . . . 622 PHE CA . 50602 1 120 . 1 . 1 26 26 PHE CB C 13 36.91 . . . . . . . . 622 PHE CB . 50602 1 121 . 1 . 1 26 26 PHE N N 15 120.23 . . . . . . . . 622 PHE N . 50602 1 122 . 1 . 1 27 27 GLN H H 1 7.98 . . . . . . . . 623 GLN H . 50602 1 123 . 1 . 1 27 27 GLN C C 13 179.18 . . . . . . . . 623 GLN C . 50602 1 124 . 1 . 1 27 27 GLN CA C 13 58.55 . . . . . . . . 623 GLN CA . 50602 1 125 . 1 . 1 27 27 GLN CB C 13 27.04 . . . . . . . . 623 GLN CB . 50602 1 126 . 1 . 1 27 27 GLN N N 15 118.59 . . . . . . . . 623 GLN N . 50602 1 127 . 1 . 1 28 28 THR H H 1 8.01 . . . . . . . . 624 THR H . 50602 1 128 . 1 . 1 28 28 THR C C 13 176.44 . . . . . . . . 624 THR C . 50602 1 129 . 1 . 1 28 28 THR CA C 13 66.17 . . . . . . . . 624 THR CA . 50602 1 130 . 1 . 1 28 28 THR CB C 13 68.16 . . . . . . . . 624 THR CB . 50602 1 131 . 1 . 1 28 28 THR N N 15 116.80 . . . . . . . . 624 THR N . 50602 1 132 . 1 . 1 29 29 LYS H H 1 8.28 . . . . . . . . 625 LYS H . 50602 1 133 . 1 . 1 29 29 LYS C C 13 180.29 . . . . . . . . 625 LYS C . 50602 1 134 . 1 . 1 29 29 LYS CA C 13 58.72 . . . . . . . . 625 LYS CA . 50602 1 135 . 1 . 1 29 29 LYS CB C 13 31.19 . . . . . . . . 625 LYS CB . 50602 1 136 . 1 . 1 29 29 LYS N N 15 122.81 . . . . . . . . 625 LYS N . 50602 1 137 . 1 . 1 30 30 ILE H H 1 8.28 . . . . . . . . 626 ILE H . 50602 1 138 . 1 . 1 30 30 ILE C C 13 177.75 . . . . . . . . 626 ILE C . 50602 1 139 . 1 . 1 30 30 ILE CA C 13 63.96 . . . . . . . . 626 ILE CA . 50602 1 140 . 1 . 1 30 30 ILE CB C 13 35.85 . . . . . . . . 626 ILE CB . 50602 1 141 . 1 . 1 30 30 ILE N N 15 121.38 . . . . . . . . 626 ILE N . 50602 1 142 . 1 . 1 31 31 GLN H H 1 7.77 . . . . . . . . 627 GLN H . 50602 1 143 . 1 . 1 31 31 GLN C C 13 179.14 . . . . . . . . 627 GLN C . 50602 1 144 . 1 . 1 31 31 GLN CA C 13 58.40 . . . . . . . . 627 GLN CA . 50602 1 145 . 1 . 1 31 31 GLN CB C 13 27.02 . . . . . . . . 627 GLN CB . 50602 1 146 . 1 . 1 31 31 GLN N N 15 120.21 . . . . . . . . 627 GLN N . 50602 1 147 . 1 . 1 32 32 GLU H H 1 8.54 . . . . . . . . 628 GLU H . 50602 1 148 . 1 . 1 32 32 GLU C C 13 179.22 . . . . . . . . 628 GLU C . 50602 1 149 . 1 . 1 32 32 GLU CA C 13 58.89 . . . . . . . . 628 GLU CA . 50602 1 150 . 1 . 1 32 32 GLU CB C 13 28.77 . . . . . . . . 628 GLU CB . 50602 1 151 . 1 . 1 32 32 GLU N N 15 121.36 . . . . . . . . 628 GLU N . 50602 1 152 . 1 . 1 33 33 PHE H H 1 8.05 . . . . . . . . 629 PHE H . 50602 1 153 . 1 . 1 33 33 PHE C C 13 177.43 . . . . . . . . 629 PHE C . 50602 1 154 . 1 . 1 33 33 PHE CA C 13 61.73 . . . . . . . . 629 PHE CA . 50602 1 155 . 1 . 1 33 33 PHE CB C 13 38.45 . . . . . . . . 629 PHE CB . 50602 1 156 . 1 . 1 33 33 PHE N N 15 122.12 . . . . . . . . 629 PHE N . 50602 1 157 . 1 . 1 34 34 ARG H H 1 8.42 . . . . . . . . 630 ARG H . 50602 1 158 . 1 . 1 34 34 ARG C C 13 179.38 . . . . . . . . 630 ARG C . 50602 1 159 . 1 . 1 34 34 ARG CA C 13 59.51 . . . . . . . . 630 ARG CA . 50602 1 160 . 1 . 1 34 34 ARG CB C 13 29.20 . . . . . . . . 630 ARG CB . 50602 1 161 . 1 . 1 34 34 ARG N N 15 120.22 . . . . . . . . 630 ARG N . 50602 1 162 . 1 . 1 35 35 LYS H H 1 8.29 . . . . . . . . 631 LYS H . 50602 1 163 . 1 . 1 35 35 LYS C C 13 178.58 . . . . . . . . 631 LYS C . 50602 1 164 . 1 . 1 35 35 LYS CA C 13 58.70 . . . . . . . . 631 LYS CA . 50602 1 165 . 1 . 1 35 35 LYS CB C 13 31.05 . . . . . . . . 631 LYS CB . 50602 1 166 . 1 . 1 35 35 LYS N N 15 121.37 . . . . . . . . 631 LYS N . 50602 1 167 . 1 . 1 36 36 ALA H H 1 8.00 . . . . . . . . 632 ALA H . 50602 1 168 . 1 . 1 36 36 ALA C C 13 178.78 . . . . . . . . 632 ALA C . 50602 1 169 . 1 . 1 36 36 ALA CA C 13 54.70 . . . . . . . . 632 ALA CA . 50602 1 170 . 1 . 1 36 36 ALA CB C 13 16.37 . . . . . . . . 632 ALA CB . 50602 1 171 . 1 . 1 36 36 ALA N N 15 124.43 . . . . . . . . 632 ALA N . 50602 1 172 . 1 . 1 37 37 CYS H H 1 8.11 . . . . . . . . 633 CYS H . 50602 1 173 . 1 . 1 37 37 CYS C C 13 177.69 . . . . . . . . 633 CYS C . 50602 1 174 . 1 . 1 37 37 CYS CA C 13 63.23 . . . . . . . . 633 CYS CA . 50602 1 175 . 1 . 1 37 37 CYS CB C 13 25.66 . . . . . . . . 633 CYS CB . 50602 1 176 . 1 . 1 37 37 CYS N N 15 115.21 . . . . . . . . 633 CYS N . 50602 1 177 . 1 . 1 38 38 TYR H H 1 7.92 . . . . . . . . 634 TYR H . 50602 1 178 . 1 . 1 38 38 TYR C C 13 176.81 . . . . . . . . 634 TYR C . 50602 1 179 . 1 . 1 38 38 TYR CA C 13 57.91 . . . . . . . . 634 TYR CA . 50602 1 180 . 1 . 1 38 38 TYR CB C 13 37.24 . . . . . . . . 634 TYR CB . 50602 1 181 . 1 . 1 38 38 TYR N N 15 123.35 . . . . . . . . 634 TYR N . 50602 1 182 . 1 . 1 39 39 THR H H 1 8.16 . . . . . . . . 635 THR H . 50602 1 183 . 1 . 1 39 39 THR C C 13 174.69 . . . . . . . . 635 THR C . 50602 1 184 . 1 . 1 39 39 THR CA C 13 65.23 . . . . . . . . 635 THR CA . 50602 1 185 . 1 . 1 39 39 THR CB C 13 68.51 . . . . . . . . 635 THR CB . 50602 1 186 . 1 . 1 39 39 THR N N 15 115.25 . . . . . . . . 635 THR N . 50602 1 187 . 1 . 1 40 40 LEU H H 1 7.51 . . . . . . . . 636 LEU H . 50602 1 188 . 1 . 1 40 40 LEU C C 13 174.59 . . . . . . . . 636 LEU C . 50602 1 189 . 1 . 1 40 40 LEU CA C 13 56.03 . . . . . . . . 636 LEU CA . 50602 1 190 . 1 . 1 40 40 LEU CB C 13 40.94 . . . . . . . . 636 LEU CB . 50602 1 191 . 1 . 1 40 40 LEU N N 15 116.16 . . . . . . . . 636 LEU N . 50602 1 192 . 1 . 1 42 42 GLY H H 1 7.56 . . . . . . . . 638 GLY H . 50602 1 193 . 1 . 1 42 42 GLY C C 13 173.94 . . . . . . . . 638 GLY C . 50602 1 194 . 1 . 1 42 42 GLY CA C 13 44.50 . . . . . . . . 638 GLY CA . 50602 1 195 . 1 . 1 42 42 GLY N N 15 107.48 . . . . . . . . 638 GLY N . 50602 1 196 . 1 . 1 43 43 TYR H H 1 7.63 . . . . . . . . 639 TYR H . 50602 1 197 . 1 . 1 43 43 TYR C C 13 174.21 . . . . . . . . 639 TYR C . 50602 1 198 . 1 . 1 43 43 TYR CA C 13 57.98 . . . . . . . . 639 TYR CA . 50602 1 199 . 1 . 1 43 43 TYR CB C 13 39.79 . . . . . . . . 639 TYR CB . 50602 1 200 . 1 . 1 43 43 TYR N N 15 117.89 . . . . . . . . 639 TYR N . 50602 1 201 . 1 . 1 44 44 GLN H H 1 9.05 . . . . . . . . 640 GLN H . 50602 1 202 . 1 . 1 44 44 GLN C C 13 175.17 . . . . . . . . 640 GLN C . 50602 1 203 . 1 . 1 44 44 GLN CA C 13 54.20 . . . . . . . . 640 GLN CA . 50602 1 204 . 1 . 1 44 44 GLN CB C 13 28.26 . . . . . . . . 640 GLN CB . 50602 1 205 . 1 . 1 44 44 GLN N N 15 126.71 . . . . . . . . 640 GLN N . 50602 1 206 . 1 . 1 45 45 ILE H H 1 8.34 . . . . . . . . 641 ILE H . 50602 1 207 . 1 . 1 45 45 ILE C C 13 174.28 . . . . . . . . 641 ILE C . 50602 1 208 . 1 . 1 45 45 ILE CA C 13 61.07 . . . . . . . . 641 ILE CA . 50602 1 209 . 1 . 1 45 45 ILE CB C 13 37.73 . . . . . . . . 641 ILE CB . 50602 1 210 . 1 . 1 45 45 ILE N N 15 128.64 . . . . . . . . 641 ILE N . 50602 1 211 . 1 . 1 46 46 ASP H H 1 9.10 . . . . . . . . 642 ASP H . 50602 1 212 . 1 . 1 46 46 ASP C C 13 175.02 . . . . . . . . 642 ASP C . 50602 1 213 . 1 . 1 46 46 ASP CA C 13 52.56 . . . . . . . . 642 ASP CA . 50602 1 214 . 1 . 1 46 46 ASP CB C 13 43.28 . . . . . . . . 642 ASP CB . 50602 1 215 . 1 . 1 46 46 ASP N N 15 127.38 . . . . . . . . 642 ASP N . 50602 1 216 . 1 . 1 47 47 ILE H H 1 8.45 . . . . . . . . 643 ILE H . 50602 1 217 . 1 . 1 47 47 ILE C C 13 177.16 . . . . . . . . 643 ILE C . 50602 1 218 . 1 . 1 47 47 ILE CA C 13 60.51 . . . . . . . . 643 ILE CA . 50602 1 219 . 1 . 1 47 47 ILE CB C 13 37.07 . . . . . . . . 643 ILE CB . 50602 1 220 . 1 . 1 47 47 ILE N N 15 123.85 . . . . . . . . 643 ILE N . 50602 1 221 . 1 . 1 48 48 THR H H 1 8.50 . . . . . . . . 644 THR H . 50602 1 222 . 1 . 1 48 48 THR CA C 13 61.11 . . . . . . . . 644 THR CA . 50602 1 223 . 1 . 1 48 48 THR CB C 13 69.54 . . . . . . . . 644 THR CB . 50602 1 224 . 1 . 1 48 48 THR N N 15 120.39 . . . . . . . . 644 THR N . 50602 1 225 . 1 . 1 49 49 THR H H 1 8.26 . . . . . . . . 645 THR H . 50602 1 226 . 1 . 1 49 49 THR C C 13 173.93 . . . . . . . . 645 THR C . 50602 1 227 . 1 . 1 49 49 THR CA C 13 62.19 . . . . . . . . 645 THR CA . 50602 1 228 . 1 . 1 49 49 THR CB C 13 68.67 . . . . . . . . 645 THR CB . 50602 1 229 . 1 . 1 49 49 THR N N 15 115.31 . . . . . . . . 645 THR N . 50602 1 230 . 1 . 1 50 50 GLU H H 1 7.86 . . . . . . . . 646 GLU H . 50602 1 231 . 1 . 1 50 50 GLU C C 13 175.73 . . . . . . . . 646 GLU C . 50602 1 232 . 1 . 1 50 50 GLU CA C 13 56.66 . . . . . . . . 646 GLU CA . 50602 1 233 . 1 . 1 50 50 GLU CB C 13 27.79 . . . . . . . . 646 GLU CB . 50602 1 234 . 1 . 1 50 50 GLU N N 15 119.72 . . . . . . . . 646 GLU N . 50602 1 235 . 1 . 1 51 51 ASN H H 1 8.36 . . . . . . . . 647 ASN H . 50602 1 236 . 1 . 1 51 51 ASN C C 13 173.19 . . . . . . . . 647 ASN C . 50602 1 237 . 1 . 1 51 51 ASN CA C 13 53.95 . . . . . . . . 647 ASN CA . 50602 1 238 . 1 . 1 51 51 ASN CB C 13 36.88 . . . . . . . . 647 ASN CB . 50602 1 239 . 1 . 1 51 51 ASN N N 15 115.89 . . . . . . . . 647 ASN N . 50602 1 240 . 1 . 1 52 52 GLN H H 1 7.15 . . . . . . . . 648 GLN H . 50602 1 241 . 1 . 1 52 52 GLN C C 13 173.71 . . . . . . . . 648 GLN C . 50602 1 242 . 1 . 1 52 52 GLN CA C 13 54.19 . . . . . . . . 648 GLN CA . 50602 1 243 . 1 . 1 52 52 GLN CB C 13 29.57 . . . . . . . . 648 GLN CB . 50602 1 244 . 1 . 1 52 52 GLN N N 15 115.97 . . . . . . . . 648 GLN N . 50602 1 245 . 1 . 1 53 53 TYR H H 1 8.94 . . . . . . . . 649 TYR H . 50602 1 246 . 1 . 1 53 53 TYR C C 13 173.89 . . . . . . . . 649 TYR C . 50602 1 247 . 1 . 1 53 53 TYR CA C 13 55.94 . . . . . . . . 649 TYR CA . 50602 1 248 . 1 . 1 53 53 TYR CB C 13 39.44 . . . . . . . . 649 TYR CB . 50602 1 249 . 1 . 1 53 53 TYR N N 15 121.25 . . . . . . . . 649 TYR N . 50602 1 250 . 1 . 1 54 54 ARG H H 1 9.12 . . . . . . . . 650 ARG H . 50602 1 251 . 1 . 1 54 54 ARG C C 13 175.00 . . . . . . . . 650 ARG C . 50602 1 252 . 1 . 1 54 54 ARG CA C 13 54.09 . . . . . . . . 650 ARG CA . 50602 1 253 . 1 . 1 54 54 ARG CB C 13 31.66 . . . . . . . . 650 ARG CB . 50602 1 254 . 1 . 1 54 54 ARG N N 15 124.96 . . . . . . . . 650 ARG N . 50602 1 255 . 1 . 1 55 55 LEU H H 1 9.91 . . . . . . . . 651 LEU H . 50602 1 256 . 1 . 1 55 55 LEU C C 13 176.40 . . . . . . . . 651 LEU C . 50602 1 257 . 1 . 1 55 55 LEU CA C 13 54.33 . . . . . . . . 651 LEU CA . 50602 1 258 . 1 . 1 55 55 LEU CB C 13 44.47 . . . . . . . . 651 LEU CB . 50602 1 259 . 1 . 1 55 55 LEU N N 15 131.16 . . . . . . . . 651 LEU N . 50602 1 260 . 1 . 1 56 56 THR H H 1 8.27 . . . . . . . . 652 THR H . 50602 1 261 . 1 . 1 56 56 THR C C 13 173.91 . . . . . . . . 652 THR C . 50602 1 262 . 1 . 1 56 56 THR CA C 13 60.34 . . . . . . . . 652 THR CA . 50602 1 263 . 1 . 1 56 56 THR CB C 13 70.50 . . . . . . . . 652 THR CB . 50602 1 264 . 1 . 1 56 56 THR N N 15 115.83 . . . . . . . . 652 THR N . 50602 1 265 . 1 . 1 57 57 SER H H 1 9.25 . . . . . . . . 653 SER H . 50602 1 266 . 1 . 1 57 57 SER C C 13 177.19 . . . . . . . . 653 SER C . 50602 1 267 . 1 . 1 57 57 SER CA C 13 56.56 . . . . . . . . 653 SER CA . 50602 1 268 . 1 . 1 57 57 SER CB C 13 62.25 . . . . . . . . 653 SER CB . 50602 1 269 . 1 . 1 57 57 SER N N 15 120.37 . . . . . . . . 653 SER N . 50602 1 270 . 1 . 1 58 58 LEU H H 1 8.37 . . . . . . . . 654 LEU H . 50602 1 271 . 1 . 1 58 58 LEU C C 13 176.28 . . . . . . . . 654 LEU C . 50602 1 272 . 1 . 1 58 58 LEU CA C 13 56.57 . . . . . . . . 654 LEU CA . 50602 1 273 . 1 . 1 58 58 LEU CB C 13 42.70 . . . . . . . . 654 LEU CB . 50602 1 274 . 1 . 1 58 58 LEU N N 15 132.71 . . . . . . . . 654 LEU N . 50602 1 275 . 1 . 1 59 59 TYR H H 1 8.16 . . . . . . . . 655 TYR H . 50602 1 276 . 1 . 1 59 59 TYR C C 13 174.12 . . . . . . . . 655 TYR C . 50602 1 277 . 1 . 1 59 59 TYR CA C 13 54.17 . . . . . . . . 655 TYR CA . 50602 1 278 . 1 . 1 59 59 TYR CB C 13 37.96 . . . . . . . . 655 TYR CB . 50602 1 279 . 1 . 1 59 59 TYR N N 15 116.92 . . . . . . . . 655 TYR N . 50602 1 280 . 1 . 1 60 60 ALA H H 1 6.93 . . . . . . . . 656 ALA H . 50602 1 281 . 1 . 1 60 60 ALA C C 13 178.99 . . . . . . . . 656 ALA C . 50602 1 282 . 1 . 1 60 60 ALA CA C 13 52.46 . . . . . . . . 656 ALA CA . 50602 1 283 . 1 . 1 60 60 ALA CB C 13 18.20 . . . . . . . . 656 ALA CB . 50602 1 284 . 1 . 1 60 60 ALA N N 15 120.91 . . . . . . . . 656 ALA N . 50602 1 285 . 1 . 1 61 61 GLU H H 1 9.48 . . . . . . . . 657 GLU H . 50602 1 286 . 1 . 1 61 61 GLU C C 13 175.93 . . . . . . . . 657 GLU C . 50602 1 287 . 1 . 1 61 61 GLU CA C 13 57.58 . . . . . . . . 657 GLU CA . 50602 1 288 . 1 . 1 61 61 GLU CB C 13 30.32 . . . . . . . . 657 GLU CB . 50602 1 289 . 1 . 1 61 61 GLU N N 15 122.82 . . . . . . . . 657 GLU N . 50602 1 290 . 1 . 1 62 62 HIS H H 1 7.21 . . . . . . . . 658 HIS H . 50602 1 291 . 1 . 1 62 62 HIS C C 13 173.14 . . . . . . . . 658 HIS C . 50602 1 292 . 1 . 1 62 62 HIS CA C 13 51.69 . . . . . . . . 658 HIS CA . 50602 1 293 . 1 . 1 62 62 HIS CB C 13 28.56 . . . . . . . . 658 HIS CB . 50602 1 294 . 1 . 1 62 62 HIS N N 15 114.61 . . . . . . . . 658 HIS N . 50602 1 295 . 1 . 1 63 63 PRO C C 13 177.39 . . . . . . . . 659 PRO C . 50602 1 296 . 1 . 1 63 63 PRO CA C 13 63.64 . . . . . . . . 659 PRO CA . 50602 1 297 . 1 . 1 63 63 PRO CB C 13 30.67 . . . . . . . . 659 PRO CB . 50602 1 298 . 1 . 1 64 64 GLY H H 1 8.43 . . . . . . . . 660 GLY H . 50602 1 299 . 1 . 1 64 64 GLY C C 13 174.50 . . . . . . . . 660 GLY C . 50602 1 300 . 1 . 1 64 64 GLY CA C 13 44.30 . . . . . . . . 660 GLY CA . 50602 1 301 . 1 . 1 64 64 GLY N N 15 109.79 . . . . . . . . 660 GLY N . 50602 1 302 . 1 . 1 65 65 ASP H H 1 7.36 . . . . . . . . 661 ASP H . 50602 1 303 . 1 . 1 65 65 ASP C C 13 176.09 . . . . . . . . 661 ASP C . 50602 1 304 . 1 . 1 65 65 ASP CA C 13 54.67 . . . . . . . . 661 ASP CA . 50602 1 305 . 1 . 1 65 65 ASP CB C 13 39.39 . . . . . . . . 661 ASP CB . 50602 1 306 . 1 . 1 65 65 ASP N N 15 122.41 . . . . . . . . 661 ASP N . 50602 1 307 . 1 . 1 66 66 CYS H H 1 8.19 . . . . . . . . 662 CYS H . 50602 1 308 . 1 . 1 66 66 CYS C C 13 172.08 . . . . . . . . 662 CYS C . 50602 1 309 . 1 . 1 66 66 CYS CA C 13 55.79 . . . . . . . . 662 CYS CA . 50602 1 310 . 1 . 1 66 66 CYS CB C 13 30.39 . . . . . . . . 662 CYS CB . 50602 1 311 . 1 . 1 66 66 CYS N N 15 119.20 . . . . . . . . 662 CYS N . 50602 1 312 . 1 . 1 67 67 LEU H H 1 8.69 . . . . . . . . 663 LEU H . 50602 1 313 . 1 . 1 67 67 LEU C C 13 175.28 . . . . . . . . 663 LEU C . 50602 1 314 . 1 . 1 67 67 LEU CA C 13 52.30 . . . . . . . . 663 LEU CA . 50602 1 315 . 1 . 1 67 67 LEU CB C 13 44.95 . . . . . . . . 663 LEU CB . 50602 1 316 . 1 . 1 67 67 LEU N N 15 121.12 . . . . . . . . 663 LEU N . 50602 1 317 . 1 . 1 68 68 ILE H H 1 8.64 . . . . . . . . 664 ILE H . 50602 1 318 . 1 . 1 68 68 ILE C C 13 173.73 . . . . . . . . 664 ILE C . 50602 1 319 . 1 . 1 68 68 ILE CA C 13 59.41 . . . . . . . . 664 ILE CA . 50602 1 320 . 1 . 1 68 68 ILE CB C 13 39.42 . . . . . . . . 664 ILE CB . 50602 1 321 . 1 . 1 68 68 ILE N N 15 121.91 . . . . . . . . 664 ILE N . 50602 1 322 . 1 . 1 69 69 PHE H H 1 9.05 . . . . . . . . 665 PHE H . 50602 1 323 . 1 . 1 69 69 PHE C C 13 174.71 . . . . . . . . 665 PHE C . 50602 1 324 . 1 . 1 69 69 PHE CA C 13 55.45 . . . . . . . . 665 PHE CA . 50602 1 325 . 1 . 1 69 69 PHE CB C 13 43.52 . . . . . . . . 665 PHE CB . 50602 1 326 . 1 . 1 69 69 PHE N N 15 123.53 . . . . . . . . 665 PHE N . 50602 1 327 . 1 . 1 70 70 LYS H H 1 9.16 . . . . . . . . 666 LYS H . 50602 1 328 . 1 . 1 70 70 LYS C C 13 175.37 . . . . . . . . 666 LYS C . 50602 1 329 . 1 . 1 70 70 LYS CA C 13 53.76 . . . . . . . . 666 LYS CA . 50602 1 330 . 1 . 1 70 70 LYS CB C 13 35.81 . . . . . . . . 666 LYS CB . 50602 1 331 . 1 . 1 70 70 LYS N N 15 120.67 . . . . . . . . 666 LYS N . 50602 1 332 . 1 . 1 71 71 ALA H H 1 8.86 . . . . . . . . 667 ALA H . 50602 1 333 . 1 . 1 71 71 ALA C C 13 178.61 . . . . . . . . 667 ALA C . 50602 1 334 . 1 . 1 71 71 ALA CA C 13 51.84 . . . . . . . . 667 ALA CA . 50602 1 335 . 1 . 1 71 71 ALA CB C 13 18.86 . . . . . . . . 667 ALA CB . 50602 1 336 . 1 . 1 71 71 ALA N N 15 129.09 . . . . . . . . 667 ALA N . 50602 1 337 . 1 . 1 72 72 THR H H 1 8.33 . . . . . . . . 668 THR H . 50602 1 338 . 1 . 1 72 72 THR C C 13 174.30 . . . . . . . . 668 THR C . 50602 1 339 . 1 . 1 72 72 THR CA C 13 62.22 . . . . . . . . 668 THR CA . 50602 1 340 . 1 . 1 72 72 THR CB C 13 68.49 . . . . . . . . 668 THR CB . 50602 1 341 . 1 . 1 72 72 THR N N 15 113.68 . . . . . . . . 668 THR N . 50602 1 342 . 1 . 1 73 73 SER H H 1 7.79 . . . . . . . . 669 SER H . 50602 1 343 . 1 . 1 73 73 SER C C 13 173.31 . . . . . . . . 669 SER C . 50602 1 344 . 1 . 1 73 73 SER CA C 13 55.73 . . . . . . . . 669 SER CA . 50602 1 345 . 1 . 1 73 73 SER CB C 13 63.61 . . . . . . . . 669 SER CB . 50602 1 346 . 1 . 1 73 73 SER N N 15 116.64 . . . . . . . . 669 SER N . 50602 1 347 . 1 . 1 76 76 GLY H H 1 7.89 . . . . . . . . 672 GLY H . 50602 1 348 . 1 . 1 76 76 GLY C C 13 173.85 . . . . . . . . 672 GLY C . 50602 1 349 . 1 . 1 76 76 GLY CA C 13 45.21 . . . . . . . . 672 GLY CA . 50602 1 350 . 1 . 1 76 76 GLY N N 15 110.17 . . . . . . . . 672 GLY N . 50602 1 351 . 1 . 1 77 77 SER H H 1 7.81 . . . . . . . . 673 SER H . 50602 1 352 . 1 . 1 77 77 SER C C 13 173.86 . . . . . . . . 673 SER C . 50602 1 353 . 1 . 1 77 77 SER CA C 13 58.38 . . . . . . . . 673 SER CA . 50602 1 354 . 1 . 1 77 77 SER CB C 13 63.21 . . . . . . . . 673 SER CB . 50602 1 355 . 1 . 1 77 77 SER N N 15 113.67 . . . . . . . . 673 SER N . 50602 1 356 . 1 . 1 78 78 LYS H H 1 7.76 . . . . . . . . 674 LYS H . 50602 1 357 . 1 . 1 78 78 LYS C C 13 175.88 . . . . . . . . 674 LYS C . 50602 1 358 . 1 . 1 78 78 LYS CA C 13 55.05 . . . . . . . . 674 LYS CA . 50602 1 359 . 1 . 1 78 78 LYS CB C 13 32.55 . . . . . . . . 674 LYS CB . 50602 1 360 . 1 . 1 78 78 LYS N N 15 121.95 . . . . . . . . 674 LYS N . 50602 1 361 . 1 . 1 79 79 MET H H 1 8.34 . . . . . . . . 675 MET H . 50602 1 362 . 1 . 1 79 79 MET C C 13 174.86 . . . . . . . . 675 MET C . 50602 1 363 . 1 . 1 79 79 MET CA C 13 53.88 . . . . . . . . 675 MET CA . 50602 1 364 . 1 . 1 79 79 MET CB C 13 35.15 . . . . . . . . 675 MET CB . 50602 1 365 . 1 . 1 79 79 MET N N 15 122.23 . . . . . . . . 675 MET N . 50602 1 366 . 1 . 1 80 80 GLN H H 1 8.95 . . . . . . . . 676 GLN H . 50602 1 367 . 1 . 1 80 80 GLN C C 13 174.28 . . . . . . . . 676 GLN C . 50602 1 368 . 1 . 1 80 80 GLN CA C 13 53.31 . . . . . . . . 676 GLN CA . 50602 1 369 . 1 . 1 80 80 GLN CB C 13 31.40 . . . . . . . . 676 GLN CB . 50602 1 370 . 1 . 1 80 80 GLN N N 15 120.91 . . . . . . . . 676 GLN N . 50602 1 371 . 1 . 1 81 81 LEU H H 1 8.67 . . . . . . . . 677 LEU H . 50602 1 372 . 1 . 1 81 81 LEU C C 13 176.46 . . . . . . . . 677 LEU C . 50602 1 373 . 1 . 1 81 81 LEU CA C 13 54.65 . . . . . . . . 677 LEU CA . 50602 1 374 . 1 . 1 81 81 LEU CB C 13 41.39 . . . . . . . . 677 LEU CB . 50602 1 375 . 1 . 1 81 81 LEU N N 15 127.95 . . . . . . . . 677 LEU N . 50602 1 376 . 1 . 1 82 82 LEU H H 1 8.79 . . . . . . . . 678 LEU H . 50602 1 377 . 1 . 1 82 82 LEU C C 13 175.60 . . . . . . . . 678 LEU C . 50602 1 378 . 1 . 1 82 82 LEU CA C 13 52.98 . . . . . . . . 678 LEU CA . 50602 1 379 . 1 . 1 82 82 LEU CB C 13 40.75 . . . . . . . . 678 LEU CB . 50602 1 380 . 1 . 1 82 82 LEU N N 15 130.95 . . . . . . . . 678 LEU N . 50602 1 381 . 1 . 1 83 83 GLU H H 1 8.10 . . . . . . . . 679 GLU H . 50602 1 382 . 1 . 1 83 83 GLU C C 13 176.79 . . . . . . . . 679 GLU C . 50602 1 383 . 1 . 1 83 83 GLU CA C 13 56.87 . . . . . . . . 679 GLU CA . 50602 1 384 . 1 . 1 83 83 GLU CB C 13 29.15 . . . . . . . . 679 GLU CB . 50602 1 385 . 1 . 1 83 83 GLU N N 15 120.95 . . . . . . . . 679 GLU N . 50602 1 386 . 1 . 1 84 84 THR H H 1 8.67 . . . . . . . . 680 THR H . 50602 1 387 . 1 . 1 84 84 THR C C 13 174.66 . . . . . . . . 680 THR C . 50602 1 388 . 1 . 1 84 84 THR CA C 13 58.32 . . . . . . . . 680 THR CA . 50602 1 389 . 1 . 1 84 84 THR CB C 13 73.88 . . . . . . . . 680 THR CB . 50602 1 390 . 1 . 1 84 84 THR N N 15 114.03 . . . . . . . . 680 THR N . 50602 1 391 . 1 . 1 85 85 GLU H H 1 8.91 . . . . . . . . 681 GLU H . 50602 1 392 . 1 . 1 85 85 GLU C C 13 179.68 . . . . . . . . 681 GLU C . 50602 1 393 . 1 . 1 85 85 GLU CA C 13 59.81 . . . . . . . . 681 GLU CA . 50602 1 394 . 1 . 1 85 85 GLU CB C 13 28.13 . . . . . . . . 681 GLU CB . 50602 1 395 . 1 . 1 85 85 GLU N N 15 121.55 . . . . . . . . 681 GLU N . 50602 1 396 . 1 . 1 86 86 PHE H H 1 8.58 . . . . . . . . 682 PHE H . 50602 1 397 . 1 . 1 86 86 PHE C C 13 179.45 . . . . . . . . 682 PHE C . 50602 1 398 . 1 . 1 86 86 PHE CA C 13 60.25 . . . . . . . . 682 PHE CA . 50602 1 399 . 1 . 1 86 86 PHE CB C 13 38.45 . . . . . . . . 682 PHE CB . 50602 1 400 . 1 . 1 86 86 PHE N N 15 116.43 . . . . . . . . 682 PHE N . 50602 1 401 . 1 . 1 87 87 SER C C 13 176.40 . . . . . . . . 683 SER C . 50602 1 402 . 1 . 1 87 87 SER CA C 13 62.24 . . . . . . . . 683 SER CA . 50602 1 403 . 1 . 1 88 88 HIS H H 1 7.43 . . . . . . . . 684 HIS H . 50602 1 404 . 1 . 1 88 88 HIS C C 13 176.29 . . . . . . . . 684 HIS C . 50602 1 405 . 1 . 1 88 88 HIS CA C 13 57.20 . . . . . . . . 684 HIS CA . 50602 1 406 . 1 . 1 88 88 HIS CB C 13 28.00 . . . . . . . . 684 HIS CB . 50602 1 407 . 1 . 1 88 88 HIS N N 15 119.62 . . . . . . . . 684 HIS N . 50602 1 408 . 1 . 1 89 89 THR H H 1 7.83 . . . . . . . . 685 THR H . 50602 1 409 . 1 . 1 89 89 THR C C 13 175.39 . . . . . . . . 685 THR C . 50602 1 410 . 1 . 1 89 89 THR CA C 13 62.78 . . . . . . . . 685 THR CA . 50602 1 411 . 1 . 1 89 89 THR CB C 13 69.52 . . . . . . . . 685 THR CB . 50602 1 412 . 1 . 1 89 89 THR N N 15 109.66 . . . . . . . . 685 THR N . 50602 1 413 . 1 . 1 90 90 VAL H H 1 6.87 . . . . . . . . 686 VAL H . 50602 1 414 . 1 . 1 90 90 VAL C C 13 176.22 . . . . . . . . 686 VAL C . 50602 1 415 . 1 . 1 90 90 VAL CA C 13 58.99 . . . . . . . . 686 VAL CA . 50602 1 416 . 1 . 1 90 90 VAL CB C 13 29.73 . . . . . . . . 686 VAL CB . 50602 1 417 . 1 . 1 90 90 VAL N N 15 114.97 . . . . . . . . 686 VAL N . 50602 1 418 . 1 . 1 91 91 GLY H H 1 8.05 . . . . . . . . 687 GLY H . 50602 1 419 . 1 . 1 91 91 GLY C C 13 176.41 . . . . . . . . 687 GLY C . 50602 1 420 . 1 . 1 91 91 GLY CA C 13 47.48 . . . . . . . . 687 GLY CA . 50602 1 421 . 1 . 1 91 91 GLY N N 15 108.80 . . . . . . . . 687 GLY N . 50602 1 422 . 1 . 1 92 92 GLU H H 1 8.76 . . . . . . . . 688 GLU H . 50602 1 423 . 1 . 1 92 92 GLU C C 13 178.66 . . . . . . . . 688 GLU C . 50602 1 424 . 1 . 1 92 92 GLU CA C 13 59.38 . . . . . . . . 688 GLU CA . 50602 1 425 . 1 . 1 92 92 GLU CB C 13 27.81 . . . . . . . . 688 GLU CB . 50602 1 426 . 1 . 1 92 92 GLU N N 15 122.25 . . . . . . . . 688 GLU N . 50602 1 427 . 1 . 1 93 93 LEU H H 1 7.40 . . . . . . . . 689 LEU H . 50602 1 428 . 1 . 1 93 93 LEU C C 13 180.04 . . . . . . . . 689 LEU C . 50602 1 429 . 1 . 1 93 93 LEU CA C 13 57.35 . . . . . . . . 689 LEU CA . 50602 1 430 . 1 . 1 93 93 LEU CB C 13 41.50 . . . . . . . . 689 LEU CB . 50602 1 431 . 1 . 1 93 93 LEU N N 15 119.19 . . . . . . . . 689 LEU N . 50602 1 432 . 1 . 1 94 94 ILE H H 1 7.91 . . . . . . . . 690 ILE H . 50602 1 433 . 1 . 1 94 94 ILE C C 13 178.13 . . . . . . . . 690 ILE C . 50602 1 434 . 1 . 1 94 94 ILE CA C 13 65.08 . . . . . . . . 690 ILE CA . 50602 1 435 . 1 . 1 94 94 ILE CB C 13 37.52 . . . . . . . . 690 ILE CB . 50602 1 436 . 1 . 1 94 94 ILE N N 15 120.81 . . . . . . . . 690 ILE N . 50602 1 437 . 1 . 1 95 95 GLU H H 1 8.08 . . . . . . . . 691 GLU H . 50602 1 438 . 1 . 1 95 95 GLU C C 13 177.56 . . . . . . . . 691 GLU C . 50602 1 439 . 1 . 1 95 95 GLU CA C 13 58.73 . . . . . . . . 691 GLU CA . 50602 1 440 . 1 . 1 95 95 GLU CB C 13 28.09 . . . . . . . . 691 GLU CB . 50602 1 441 . 1 . 1 95 95 GLU N N 15 121.17 . . . . . . . . 691 GLU N . 50602 1 442 . 1 . 1 96 96 VAL H H 1 7.62 . . . . . . . . 692 VAL H . 50602 1 443 . 1 . 1 96 96 VAL C C 13 177.15 . . . . . . . . 692 VAL C . 50602 1 444 . 1 . 1 96 96 VAL CA C 13 65.79 . . . . . . . . 692 VAL CA . 50602 1 445 . 1 . 1 96 96 VAL CB C 13 31.89 . . . . . . . . 692 VAL CB . 50602 1 446 . 1 . 1 96 96 VAL N N 15 115.46 . . . . . . . . 692 VAL N . 50602 1 447 . 1 . 1 97 97 HIS H H 1 7.73 . . . . . . . . 693 HIS H . 50602 1 448 . 1 . 1 97 97 HIS C C 13 175.01 . . . . . . . . 693 HIS C . 50602 1 449 . 1 . 1 97 97 HIS CA C 13 57.15 . . . . . . . . 693 HIS CA . 50602 1 450 . 1 . 1 97 97 HIS CB C 13 29.80 . . . . . . . . 693 HIS CB . 50602 1 451 . 1 . 1 97 97 HIS N N 15 113.76 . . . . . . . . 693 HIS N . 50602 1 452 . 1 . 1 98 98 LEU H H 1 7.70 . . . . . . . . 694 LEU H . 50602 1 453 . 1 . 1 98 98 LEU C C 13 178.67 . . . . . . . . 694 LEU C . 50602 1 454 . 1 . 1 98 98 LEU CA C 13 56.28 . . . . . . . . 694 LEU CA . 50602 1 455 . 1 . 1 98 98 LEU CB C 13 40.35 . . . . . . . . 694 LEU CB . 50602 1 456 . 1 . 1 98 98 LEU N N 15 116.09 . . . . . . . . 694 LEU N . 50602 1 457 . 1 . 1 99 99 ARG H H 1 7.99 . . . . . . . . 695 ARG H . 50602 1 458 . 1 . 1 99 99 ARG C C 13 178.28 . . . . . . . . 695 ARG C . 50602 1 459 . 1 . 1 99 99 ARG CA C 13 58.25 . . . . . . . . 695 ARG CA . 50602 1 460 . 1 . 1 99 99 ARG CB C 13 27.84 . . . . . . . . 695 ARG CB . 50602 1 461 . 1 . 1 99 99 ARG N N 15 117.97 . . . . . . . . 695 ARG N . 50602 1 462 . 1 . 1 100 100 ARG H H 1 7.76 . . . . . . . . 696 ARG H . 50602 1 463 . 1 . 1 100 100 ARG C C 13 178.36 . . . . . . . . 696 ARG C . 50602 1 464 . 1 . 1 100 100 ARG CA C 13 58.60 . . . . . . . . 696 ARG CA . 50602 1 465 . 1 . 1 100 100 ARG CB C 13 28.59 . . . . . . . . 696 ARG CB . 50602 1 466 . 1 . 1 100 100 ARG N N 15 116.94 . . . . . . . . 696 ARG N . 50602 1 467 . 1 . 1 101 101 GLN H H 1 7.00 . . . . . . . . 697 GLN H . 50602 1 468 . 1 . 1 101 101 GLN C C 13 175.40 . . . . . . . . 697 GLN C . 50602 1 469 . 1 . 1 101 101 GLN CA C 13 55.71 . . . . . . . . 697 GLN CA . 50602 1 470 . 1 . 1 101 101 GLN CB C 13 28.23 . . . . . . . . 697 GLN CB . 50602 1 471 . 1 . 1 101 101 GLN N N 15 113.77 . . . . . . . . 697 GLN N . 50602 1 472 . 1 . 1 102 102 ASP H H 1 6.99 . . . . . . . . 698 ASP H . 50602 1 473 . 1 . 1 102 102 ASP C C 13 174.66 . . . . . . . . 698 ASP C . 50602 1 474 . 1 . 1 102 102 ASP CA C 13 53.87 . . . . . . . . 698 ASP CA . 50602 1 475 . 1 . 1 102 102 ASP CB C 13 39.96 . . . . . . . . 698 ASP CB . 50602 1 476 . 1 . 1 102 102 ASP N N 15 117.74 . . . . . . . . 698 ASP N . 50602 1 477 . 1 . 1 103 103 SER H H 1 8.02 . . . . . . . . 699 SER H . 50602 1 478 . 1 . 1 103 103 SER C C 13 174.05 . . . . . . . . 699 SER C . 50602 1 479 . 1 . 1 103 103 SER CA C 13 55.04 . . . . . . . . 699 SER CA . 50602 1 480 . 1 . 1 103 103 SER CB C 13 62.39 . . . . . . . . 699 SER CB . 50602 1 481 . 1 . 1 103 103 SER N N 15 111.09 . . . . . . . . 699 SER N . 50602 1 482 . 1 . 1 104 104 ILE H H 1 9.11 . . . . . . . . 700 ILE H . 50602 1 483 . 1 . 1 104 104 ILE C C 13 175.27 . . . . . . . . 700 ILE C . 50602 1 484 . 1 . 1 104 104 ILE CA C 13 66.56 . . . . . . . . 700 ILE CA . 50602 1 485 . 1 . 1 104 104 ILE CB C 13 34.40 . . . . . . . . 700 ILE CB . 50602 1 486 . 1 . 1 104 104 ILE N N 15 129.41 . . . . . . . . 700 ILE N . 50602 1 487 . 1 . 1 105 105 PRO C C 13 181.02 . . . . . . . . 701 PRO C . 50602 1 488 . 1 . 1 105 105 PRO CA C 13 65.60 . . . . . . . . 701 PRO CA . 50602 1 489 . 1 . 1 105 105 PRO CB C 13 30.93 . . . . . . . . 701 PRO CB . 50602 1 490 . 1 . 1 106 106 ALA H H 1 8.09 . . . . . . . . 702 ALA H . 50602 1 491 . 1 . 1 106 106 ALA C C 13 178.88 . . . . . . . . 702 ALA C . 50602 1 492 . 1 . 1 106 106 ALA CA C 13 54.98 . . . . . . . . 702 ALA CA . 50602 1 493 . 1 . 1 106 106 ALA CB C 13 16.23 . . . . . . . . 702 ALA CB . 50602 1 494 . 1 . 1 106 106 ALA N N 15 122.12 . . . . . . . . 702 ALA N . 50602 1 495 . 1 . 1 107 107 PHE H H 1 7.86 . . . . . . . . 703 PHE H . 50602 1 496 . 1 . 1 107 107 PHE C C 13 175.90 . . . . . . . . 703 PHE C . 50602 1 497 . 1 . 1 107 107 PHE CA C 13 59.92 . . . . . . . . 703 PHE CA . 50602 1 498 . 1 . 1 107 107 PHE CB C 13 38.60 . . . . . . . . 703 PHE CB . 50602 1 499 . 1 . 1 107 107 PHE N N 15 120.20 . . . . . . . . 703 PHE N . 50602 1 500 . 1 . 1 108 108 LEU H H 1 8.93 . . . . . . . . 704 LEU H . 50602 1 501 . 1 . 1 108 108 LEU C C 13 174.74 . . . . . . . . 704 LEU C . 50602 1 502 . 1 . 1 108 108 LEU CA C 13 56.65 . . . . . . . . 704 LEU CA . 50602 1 503 . 1 . 1 108 108 LEU CB C 13 38.30 . . . . . . . . 704 LEU CB . 50602 1 504 . 1 . 1 108 108 LEU N N 15 118.19 . . . . . . . . 704 LEU N . 50602 1 505 . 1 . 1 110 110 SER H H 1 7.99 . . . . . . . . 706 SER H . 50602 1 506 . 1 . 1 110 110 SER C C 13 178.00 . . . . . . . . 706 SER C . 50602 1 507 . 1 . 1 110 110 SER CA C 13 61.38 . . . . . . . . 706 SER CA . 50602 1 508 . 1 . 1 110 110 SER N N 15 119.33 . . . . . . . . 706 SER N . 50602 1 509 . 1 . 1 111 111 LEU H H 1 8.15 . . . . . . . . 707 LEU H . 50602 1 510 . 1 . 1 111 111 LEU C C 13 177.65 . . . . . . . . 707 LEU C . 50602 1 511 . 1 . 1 111 111 LEU CA C 13 57.55 . . . . . . . . 707 LEU CA . 50602 1 512 . 1 . 1 111 111 LEU CB C 13 39.65 . . . . . . . . 707 LEU CB . 50602 1 513 . 1 . 1 111 111 LEU N N 15 124.54 . . . . . . . . 707 LEU N . 50602 1 514 . 1 . 1 113 113 LEU H H 1 7.45 . . . . . . . . 709 LEU H . 50602 1 515 . 1 . 1 113 113 LEU C C 13 179.61 . . . . . . . . 709 LEU C . 50602 1 516 . 1 . 1 113 113 LEU CA C 13 57.86 . . . . . . . . 709 LEU CA . 50602 1 517 . 1 . 1 113 113 LEU CB C 13 39.96 . . . . . . . . 709 LEU CB . 50602 1 518 . 1 . 1 113 113 LEU N N 15 118.77 . . . . . . . . 709 LEU N . 50602 1 519 . 1 . 1 114 114 GLU H H 1 8.10 . . . . . . . . 710 GLU H . 50602 1 520 . 1 . 1 114 114 GLU C C 13 179.49 . . . . . . . . 710 GLU C . 50602 1 521 . 1 . 1 114 114 GLU CA C 13 58.82 . . . . . . . . 710 GLU CA . 50602 1 522 . 1 . 1 114 114 GLU CB C 13 28.14 . . . . . . . . 710 GLU CB . 50602 1 523 . 1 . 1 114 114 GLU N N 15 122.78 . . . . . . . . 710 GLU N . 50602 1 524 . 1 . 1 115 115 LEU H H 1 8.82 . . . . . . . . 711 LEU H . 50602 1 525 . 1 . 1 115 115 LEU C C 13 180.61 . . . . . . . . 711 LEU C . 50602 1 526 . 1 . 1 115 115 LEU CA C 13 57.55 . . . . . . . . 711 LEU CA . 50602 1 527 . 1 . 1 115 115 LEU CB C 13 40.73 . . . . . . . . 711 LEU CB . 50602 1 528 . 1 . 1 115 115 LEU N N 15 120.18 . . . . . . . . 711 LEU N . 50602 1 529 . 1 . 1 116 116 PHE H H 1 8.89 . . . . . . . . 712 PHE H . 50602 1 530 . 1 . 1 116 116 PHE C C 13 178.27 . . . . . . . . 712 PHE C . 50602 1 531 . 1 . 1 116 116 PHE CA C 13 60.30 . . . . . . . . 712 PHE CA . 50602 1 532 . 1 . 1 116 116 PHE CB C 13 38.15 . . . . . . . . 712 PHE CB . 50602 1 533 . 1 . 1 116 116 PHE N N 15 121.48 . . . . . . . . 712 PHE N . 50602 1 534 . 1 . 1 117 117 SER H H 1 7.70 . . . . . . . . 713 SER H . 50602 1 535 . 1 . 1 117 117 SER C C 13 175.45 . . . . . . . . 713 SER C . 50602 1 536 . 1 . 1 117 117 SER CA C 13 60.45 . . . . . . . . 713 SER CA . 50602 1 537 . 1 . 1 117 117 SER CB C 13 62.44 . . . . . . . . 713 SER CB . 50602 1 538 . 1 . 1 117 117 SER N N 15 114.54 . . . . . . . . 713 SER N . 50602 1 539 . 1 . 1 118 118 ARG H H 1 7.26 . . . . . . . . 714 ARG H . 50602 1 540 . 1 . 1 118 118 ARG C C 13 176.95 . . . . . . . . 714 ARG C . 50602 1 541 . 1 . 1 118 118 ARG CA C 13 56.91 . . . . . . . . 714 ARG CA . 50602 1 542 . 1 . 1 118 118 ARG CB C 13 29.34 . . . . . . . . 714 ARG CB . 50602 1 543 . 1 . 1 118 118 ARG N N 15 120.16 . . . . . . . . 714 ARG N . 50602 1 544 . 1 . 1 119 119 GLN H H 1 7.23 . . . . . . . . 715 GLN H . 50602 1 545 . 1 . 1 119 119 GLN C C 13 176.15 . . . . . . . . 715 GLN C . 50602 1 546 . 1 . 1 119 119 GLN CA C 13 55.70 . . . . . . . . 715 GLN CA . 50602 1 547 . 1 . 1 119 119 GLN CB C 13 28.35 . . . . . . . . 715 GLN CB . 50602 1 548 . 1 . 1 119 119 GLN N N 15 117.27 . . . . . . . . 715 GLN N . 50602 1 549 . 1 . 1 120 120 THR H H 1 7.67 . . . . . . . . 716 THR H . 50602 1 550 . 1 . 1 120 120 THR C C 13 174.17 . . . . . . . . 716 THR C . 50602 1 551 . 1 . 1 120 120 THR CA C 13 61.58 . . . . . . . . 716 THR CA . 50602 1 552 . 1 . 1 120 120 THR CB C 13 69.24 . . . . . . . . 716 THR CB . 50602 1 553 . 1 . 1 120 120 THR N N 15 115.27 . . . . . . . . 716 THR N . 50602 1 554 . 1 . 1 121 121 VAL H H 1 7.87 . . . . . . . . 717 VAL H . 50602 1 555 . 1 . 1 121 121 VAL C C 13 174.82 . . . . . . . . 717 VAL C . 50602 1 556 . 1 . 1 121 121 VAL CA C 13 61.63 . . . . . . . . 717 VAL CA . 50602 1 557 . 1 . 1 121 121 VAL CB C 13 31.56 . . . . . . . . 717 VAL CB . 50602 1 558 . 1 . 1 121 121 VAL N N 15 123.44 . . . . . . . . 717 VAL N . 50602 1 559 . 1 . 1 122 122 ALA H H 1 7.81 . . . . . . . . 718 ALA H . 50602 1 560 . 1 . 1 122 122 ALA C C 13 182.39 . . . . . . . . 718 ALA C . 50602 1 561 . 1 . 1 122 122 ALA CA C 13 53.26 . . . . . . . . 718 ALA CA . 50602 1 562 . 1 . 1 122 122 ALA CB C 13 19.14 . . . . . . . . 718 ALA CB . 50602 1 563 . 1 . 1 122 122 ALA N N 15 133.88 . . . . . . . . 718 ALA N . 50602 1 stop_ save_