data_51075 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51075 _Entry.Title ; FLN5 filamin domain side-chain chemical shift assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-06 _Entry.Accession_date 2021-09-06 _Entry.Last_release_date 2021-09-06 _Entry.Original_release_date 2021-09-06 _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 Charles Burridge . . . 0000-0002-6321-4052 51075 2 Christopher Waudby . A. . 0000-0001-7810-3753 51075 3 Tomasz Wlodarski . . . . 51075 4 AnaIs Cassaignau . M.E. . . 51075 5 Lisa Cabrita . D. . . 51075 6 John Christodoulou . . . 0000-0002-6710-3843 51075 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51075 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 51075 '15N chemical shifts' 96 51075 '1H chemical shifts' 538 51075 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 . . 2022-01-10 2021-09-06 update BMRB 'update entry citation' 51075 1 . . 2021-09-12 2021-09-06 original author 'original release' 51075 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51075 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34745542 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Nascent chain dynamics and ribosome interactions within folded ribosome-nascent chain complexes observed by NMR spectroscopy ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Sci.' _Citation.Journal_name_full 'Chemical Science' _Citation.Journal_volume 12 _Citation.Journal_issue 39 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-6520 _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 13120 _Citation.Page_last 13126 _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 Charles Burridge . . . . 51075 1 2 Christopher Waudby . A. . . 51075 1 3 Tomasz Wlodarski . . . . 51075 1 4 AnaIs Cassaignau . M.E. . . 51075 1 5 Lisa Cabrita . D. . . 51075 1 6 John Christodoulou . . . . 51075 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51075 _Assembly.ID 1 _Assembly.Name FLN5 _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 FLN5 1 $entity_1 . . yes native no no . . . 51075 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51075 _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 ; MHHHHHHASKPAPSAEHSYA EGEGLVKVFDNAPAEFTIFA VDTKGVARTDGGDPFEVAIN GPDGLVVDAKVTDNNDGTYG VVYDAPVEGNYNVNVTLRGN PIKNMPIDVKCIEG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Fifth Domain from filamin. First 9 residues are non-native affinity 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 114 _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 . MET . 51075 1 2 . HIS . 51075 1 3 . HIS . 51075 1 4 . HIS . 51075 1 5 . HIS . 51075 1 6 . HIS . 51075 1 7 . HIS . 51075 1 8 . ALA . 51075 1 9 . SER . 51075 1 10 646 LYS . 51075 1 11 647 PRO . 51075 1 12 648 ALA . 51075 1 13 649 PRO . 51075 1 14 650 SER . 51075 1 15 651 ALA . 51075 1 16 652 GLU . 51075 1 17 653 HIS . 51075 1 18 654 SER . 51075 1 19 655 TYR . 51075 1 20 656 ALA . 51075 1 21 657 GLU . 51075 1 22 658 GLY . 51075 1 23 659 GLU . 51075 1 24 660 GLY . 51075 1 25 661 LEU . 51075 1 26 662 VAL . 51075 1 27 663 LYS . 51075 1 28 664 VAL . 51075 1 29 665 PHE . 51075 1 30 666 ASP . 51075 1 31 667 ASN . 51075 1 32 668 ALA . 51075 1 33 669 PRO . 51075 1 34 670 ALA . 51075 1 35 671 GLU . 51075 1 36 672 PHE . 51075 1 37 673 THR . 51075 1 38 674 ILE . 51075 1 39 675 PHE . 51075 1 40 676 ALA . 51075 1 41 677 VAL . 51075 1 42 678 ASP . 51075 1 43 679 THR . 51075 1 44 680 LYS . 51075 1 45 681 GLY . 51075 1 46 682 VAL . 51075 1 47 683 ALA . 51075 1 48 684 ARG . 51075 1 49 685 THR . 51075 1 50 686 ASP . 51075 1 51 687 GLY . 51075 1 52 688 GLY . 51075 1 53 689 ASP . 51075 1 54 690 PRO . 51075 1 55 691 PHE . 51075 1 56 692 GLU . 51075 1 57 693 VAL . 51075 1 58 694 ALA . 51075 1 59 695 ILE . 51075 1 60 696 ASN . 51075 1 61 697 GLY . 51075 1 62 698 PRO . 51075 1 63 699 ASP . 51075 1 64 700 GLY . 51075 1 65 701 LEU . 51075 1 66 702 VAL . 51075 1 67 703 VAL . 51075 1 68 704 ASP . 51075 1 69 705 ALA . 51075 1 70 706 LYS . 51075 1 71 707 VAL . 51075 1 72 708 THR . 51075 1 73 709 ASP . 51075 1 74 710 ASN . 51075 1 75 711 ASN . 51075 1 76 712 ASP . 51075 1 77 713 GLY . 51075 1 78 714 THR . 51075 1 79 715 TYR . 51075 1 80 716 GLY . 51075 1 81 717 VAL . 51075 1 82 718 VAL . 51075 1 83 719 TYR . 51075 1 84 720 ASP . 51075 1 85 721 ALA . 51075 1 86 722 PRO . 51075 1 87 723 VAL . 51075 1 88 724 GLU . 51075 1 89 725 GLY . 51075 1 90 726 ASN . 51075 1 91 727 TYR . 51075 1 92 728 ASN . 51075 1 93 729 VAL . 51075 1 94 730 ASN . 51075 1 95 731 VAL . 51075 1 96 732 THR . 51075 1 97 733 LEU . 51075 1 98 734 ARG . 51075 1 99 735 GLY . 51075 1 100 736 ASN . 51075 1 101 737 PRO . 51075 1 102 738 ILE . 51075 1 103 739 LYS . 51075 1 104 740 ASN . 51075 1 105 741 MET . 51075 1 106 742 PRO . 51075 1 107 743 ILE . 51075 1 108 744 ASP . 51075 1 109 745 VAL . 51075 1 110 746 LYS . 51075 1 111 747 CYS . 51075 1 112 748 ILE . 51075 1 113 749 GLU . 51075 1 114 750 GLY . 51075 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 51075 1 . HIS 2 2 51075 1 . HIS 3 3 51075 1 . HIS 4 4 51075 1 . HIS 5 5 51075 1 . HIS 6 6 51075 1 . HIS 7 7 51075 1 . ALA 8 8 51075 1 . SER 9 9 51075 1 . LYS 10 10 51075 1 . PRO 11 11 51075 1 . ALA 12 12 51075 1 . PRO 13 13 51075 1 . SER 14 14 51075 1 . ALA 15 15 51075 1 . GLU 16 16 51075 1 . HIS 17 17 51075 1 . SER 18 18 51075 1 . TYR 19 19 51075 1 . ALA 20 20 51075 1 . GLU 21 21 51075 1 . GLY 22 22 51075 1 . GLU 23 23 51075 1 . GLY 24 24 51075 1 . LEU 25 25 51075 1 . VAL 26 26 51075 1 . LYS 27 27 51075 1 . VAL 28 28 51075 1 . PHE 29 29 51075 1 . ASP 30 30 51075 1 . ASN 31 31 51075 1 . ALA 32 32 51075 1 . PRO 33 33 51075 1 . ALA 34 34 51075 1 . GLU 35 35 51075 1 . PHE 36 36 51075 1 . THR 37 37 51075 1 . ILE 38 38 51075 1 . PHE 39 39 51075 1 . ALA 40 40 51075 1 . VAL 41 41 51075 1 . ASP 42 42 51075 1 . THR 43 43 51075 1 . LYS 44 44 51075 1 . GLY 45 45 51075 1 . VAL 46 46 51075 1 . ALA 47 47 51075 1 . ARG 48 48 51075 1 . THR 49 49 51075 1 . ASP 50 50 51075 1 . GLY 51 51 51075 1 . GLY 52 52 51075 1 . ASP 53 53 51075 1 . PRO 54 54 51075 1 . PHE 55 55 51075 1 . GLU 56 56 51075 1 . VAL 57 57 51075 1 . ALA 58 58 51075 1 . ILE 59 59 51075 1 . ASN 60 60 51075 1 . GLY 61 61 51075 1 . PRO 62 62 51075 1 . ASP 63 63 51075 1 . GLY 64 64 51075 1 . LEU 65 65 51075 1 . VAL 66 66 51075 1 . VAL 67 67 51075 1 . ASP 68 68 51075 1 . ALA 69 69 51075 1 . LYS 70 70 51075 1 . VAL 71 71 51075 1 . THR 72 72 51075 1 . ASP 73 73 51075 1 . ASN 74 74 51075 1 . ASN 75 75 51075 1 . ASP 76 76 51075 1 . GLY 77 77 51075 1 . THR 78 78 51075 1 . TYR 79 79 51075 1 . GLY 80 80 51075 1 . VAL 81 81 51075 1 . VAL 82 82 51075 1 . TYR 83 83 51075 1 . ASP 84 84 51075 1 . ALA 85 85 51075 1 . PRO 86 86 51075 1 . VAL 87 87 51075 1 . GLU 88 88 51075 1 . GLY 89 89 51075 1 . ASN 90 90 51075 1 . TYR 91 91 51075 1 . ASN 92 92 51075 1 . VAL 93 93 51075 1 . ASN 94 94 51075 1 . VAL 95 95 51075 1 . THR 96 96 51075 1 . LEU 97 97 51075 1 . ARG 98 98 51075 1 . GLY 99 99 51075 1 . ASN 100 100 51075 1 . PRO 101 101 51075 1 . ILE 102 102 51075 1 . LYS 103 103 51075 1 . ASN 104 104 51075 1 . MET 105 105 51075 1 . PRO 106 106 51075 1 . ILE 107 107 51075 1 . ASP 108 108 51075 1 . VAL 109 109 51075 1 . LYS 110 110 51075 1 . CYS 111 111 51075 1 . ILE 112 112 51075 1 . GLU 113 113 51075 1 . GLY 114 114 51075 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 51075 _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 . 44689 organism . 'Dictyostelium discoideum' 'Dictyostelium discoideum' . . Eukaryota . Dictyostelium discoideum . . . . . . . . . . . 'abpC, DDB_G0269100' . 51075 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 51075 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-GOLD(DE3) . . plasmid . . pLDC . . . 51075 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51075 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 500 uM [U-13C; U-15N] FLN5, 10 mM HEPES, 30 mM ammonium chloride, 12 mM magnesium chloride, 1 mM EDTA, 90% H2O/10% D2O. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FLN5 '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM . . . . 51075 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 51075 1 3 'ammonium chloride' 'natural abundance' . . . . . . 30 . . mM . . . . 51075 1 4 'magnesium chloride' 'natural abundance' . . . . . . 12 . . mM . . . . 51075 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51075 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 51075 _Sample_condition_list.ID 1 _Sample_condition_list.Name 298K _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 7.5 . pH 51075 1 pressure 1 . atm 51075 1 temperature 298 . K 51075 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51075 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.414 _Software.DOI . _Software.Details 'With Sparky 3.135' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51075 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51075 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51075 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51075 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51075 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51075 _Software.ID 4 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51075 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 51075 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _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 51075 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 700 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51075 _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 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51075 1 2 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51075 1 3 '3D H(CCO)NH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51075 1 4 '3D (H)C(CO)NH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51075 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 51075 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'DSS referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 51075 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 51075 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 51075 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 51075 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HCCH-TOCSY' . . . 51075 1 2 '3D (H)CCH-TOCSY' . . . 51075 1 3 '3D H(CCO)NH-TOCSY' . . . 51075 1 4 '3D (H)C(CO)NH-TOCSY' . . . 51075 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51075 1 2 $software_2 . . 51075 1 3 $software_3 . . 51075 1 4 $software_4 . . 51075 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 10 10 LYS HA H 1 4.635 0.00 . 1 . . . . . 646 LYS HA . 51075 1 2 . 1 . 1 10 10 LYS HB2 H 1 1.759 0.00 . 2 . . . . . 646 LYS HB2 . 51075 1 3 . 1 . 1 10 10 LYS HG2 H 1 1.494 0.00 . 2 . . . . . 646 LYS HG2 . 51075 1 4 . 1 . 1 10 10 LYS CA C 13 54.474 0.00 . 1 . . . . . 646 LYS CA . 51075 1 5 . 1 . 1 10 10 LYS CB C 13 32.612 0.00 . 1 . . . . . 646 LYS CB . 51075 1 6 . 1 . 1 10 10 LYS CG C 13 24.323 0.00 . 1 . . . . . 646 LYS CG . 51075 1 7 . 1 . 1 11 11 PRO HA H 1 4.310 0.00 . 1 . . . . . 647 PRO HA . 51075 1 8 . 1 . 1 11 11 PRO CA C 13 63.461 0.00 . 1 . . . . . 647 PRO CA . 51075 1 9 . 1 . 1 12 12 ALA H H 1 8.563 0.00 . 1 . . . . . 648 ALA H . 51075 1 10 . 1 . 1 12 12 ALA HA H 1 4.773 0.00 . 1 . . . . . 648 ALA HA . 51075 1 11 . 1 . 1 12 12 ALA HB1 H 1 1.376 0.00 . 1 . . . . . 648 ALA HB . 51075 1 12 . 1 . 1 12 12 ALA HB2 H 1 1.376 0.00 . 1 . . . . . 648 ALA HB . 51075 1 13 . 1 . 1 12 12 ALA HB3 H 1 1.376 0.00 . 1 . . . . . 648 ALA HB . 51075 1 14 . 1 . 1 12 12 ALA CA C 13 49.029 0.00 . 1 . . . . . 648 ALA CA . 51075 1 15 . 1 . 1 12 12 ALA CB C 13 19.212 0.00 . 1 . . . . . 648 ALA CB . 51075 1 16 . 1 . 1 12 12 ALA N N 15 125.628 0.00 . 1 . . . . . 648 ALA N . 51075 1 17 . 1 . 1 13 13 PRO HA H 1 4.270 0.00 . 1 . . . . . 649 PRO HA . 51075 1 18 . 1 . 1 13 13 PRO CA C 13 62.385 0.00 . 1 . . . . . 649 PRO CA . 51075 1 19 . 1 . 1 14 14 SER H H 1 9.088 0.00 . 1 . . . . . 650 SER H . 51075 1 20 . 1 . 1 14 14 SER HA H 1 4.791 0.00 . 1 . . . . . 650 SER HA . 51075 1 21 . 1 . 1 14 14 SER CA C 13 54.875 0.00 . 1 . . . . . 650 SER CA . 51075 1 22 . 1 . 1 14 14 SER N N 15 112.847 0.00 . 1 . . . . . 650 SER N . 51075 1 23 . 1 . 1 15 15 ALA H H 1 7.814 0.00 . 1 . . . . . 651 ALA H . 51075 1 24 . 1 . 1 15 15 ALA HA H 1 4.125 0.00 . 1 . . . . . 651 ALA HA . 51075 1 25 . 1 . 1 15 15 ALA HB1 H 1 1.444 0.00 . 1 . . . . . 651 ALA HB . 51075 1 26 . 1 . 1 15 15 ALA HB2 H 1 1.444 0.00 . 1 . . . . . 651 ALA HB . 51075 1 27 . 1 . 1 15 15 ALA HB3 H 1 1.444 0.00 . 1 . . . . . 651 ALA HB . 51075 1 28 . 1 . 1 15 15 ALA CA C 13 55.321 0.00 . 1 . . . . . 651 ALA CA . 51075 1 29 . 1 . 1 15 15 ALA CB C 13 18.031 0.00 . 1 . . . . . 651 ALA CB . 51075 1 30 . 1 . 1 15 15 ALA N N 15 113.354 0.00 . 1 . . . . . 651 ALA N . 51075 1 31 . 1 . 1 16 16 GLU H H 1 7.924 0.00 . 1 . . . . . 652 GLU H . 51075 1 32 . 1 . 1 16 16 GLU HA H 1 3.976 0.00 . 1 . . . . . 652 GLU HA . 51075 1 33 . 1 . 1 16 16 GLU HB2 H 1 1.733 0.00 . 2 . . . . . 652 GLU HB2 . 51075 1 34 . 1 . 1 16 16 GLU HB3 H 1 1.545 0.00 . 2 . . . . . 652 GLU HB3 . 51075 1 35 . 1 . 1 16 16 GLU HG2 H 1 1.911 0.00 . 2 . . . . . 652 GLU HG2 . 51075 1 36 . 1 . 1 16 16 GLU HG3 H 1 1.985 0.00 . 2 . . . . . 652 GLU HG3 . 51075 1 37 . 1 . 1 16 16 GLU CA C 13 58.582 0.00 . 1 . . . . . 652 GLU CA . 51075 1 38 . 1 . 1 16 16 GLU CB C 13 29.500 0.03 . 1 . . . . . 652 GLU CB . 51075 1 39 . 1 . 1 16 16 GLU CG C 13 36.135 0.00 . 1 . . . . . 652 GLU CG . 51075 1 40 . 1 . 1 16 16 GLU N N 15 113.904 0.00 . 1 . . . . . 652 GLU N . 51075 1 41 . 1 . 1 17 17 HIS H H 1 7.037 0.00 . 1 . . . . . 653 HIS H . 51075 1 42 . 1 . 1 17 17 HIS HA H 1 4.807 0.00 . 1 . . . . . 653 HIS HA . 51075 1 43 . 1 . 1 17 17 HIS HB2 H 1 3.254 0.00 . 2 . . . . . 653 HIS HB2 . 51075 1 44 . 1 . 1 17 17 HIS HB3 H 1 2.636 0.00 . 2 . . . . . 653 HIS HB3 . 51075 1 45 . 1 . 1 17 17 HIS CA C 13 56.781 0.00 . 1 . . . . . 653 HIS CA . 51075 1 46 . 1 . 1 17 17 HIS CB C 13 33.892 0.00 . 1 . . . . . 653 HIS CB . 51075 1 47 . 1 . 1 17 17 HIS N N 15 111.654 0.00 . 1 . . . . . 653 HIS N . 51075 1 48 . 1 . 1 18 18 SER H H 1 7.591 0.00 . 1 . . . . . 654 SER H . 51075 1 49 . 1 . 1 18 18 SER HA H 1 4.925 0.00 . 1 . . . . . 654 SER HA . 51075 1 50 . 1 . 1 18 18 SER CA C 13 61.783 0.00 . 1 . . . . . 654 SER CA . 51075 1 51 . 1 . 1 18 18 SER N N 15 117.156 0.00 . 1 . . . . . 654 SER N . 51075 1 52 . 1 . 1 19 19 TYR H H 1 8.393 0.00 . 1 . . . . . 655 TYR H . 51075 1 53 . 1 . 1 19 19 TYR HA H 1 5.030 0.00 . 1 . . . . . 655 TYR HA . 51075 1 54 . 1 . 1 19 19 TYR CA C 13 56.309 0.00 . 1 . . . . . 655 TYR CA . 51075 1 55 . 1 . 1 19 19 TYR N N 15 116.767 0.00 . 1 . . . . . 655 TYR N . 51075 1 56 . 1 . 1 20 20 ALA H H 1 9.627 0.00 . 1 . . . . . 656 ALA H . 51075 1 57 . 1 . 1 20 20 ALA HA H 1 5.781 0.00 . 1 . . . . . 656 ALA HA . 51075 1 58 . 1 . 1 20 20 ALA HB1 H 1 1.191 0.00 . 1 . . . . . 656 ALA HB . 51075 1 59 . 1 . 1 20 20 ALA HB2 H 1 1.191 0.00 . 1 . . . . . 656 ALA HB . 51075 1 60 . 1 . 1 20 20 ALA HB3 H 1 1.191 0.00 . 1 . . . . . 656 ALA HB . 51075 1 61 . 1 . 1 20 20 ALA CA C 13 50.137 0.00 . 1 . . . . . 656 ALA CA . 51075 1 62 . 1 . 1 20 20 ALA CB C 13 23.753 0.00 . 1 . . . . . 656 ALA CB . 51075 1 63 . 1 . 1 20 20 ALA N N 15 122.660 0.00 . 1 . . . . . 656 ALA N . 51075 1 64 . 1 . 1 21 21 GLU H H 1 9.176 0.00 . 1 . . . . . 657 GLU H . 51075 1 65 . 1 . 1 21 21 GLU HA H 1 4.831 0.00 . 1 . . . . . 657 GLU HA . 51075 1 66 . 1 . 1 21 21 GLU HB2 H 1 2.190 0.00 . 2 . . . . . 657 GLU HB2 . 51075 1 67 . 1 . 1 21 21 GLU HG2 H 1 2.428 0.00 . 2 . . . . . 657 GLU HG2 . 51075 1 68 . 1 . 1 21 21 GLU HG3 H 1 2.304 0.00 . 2 . . . . . 657 GLU HG3 . 51075 1 69 . 1 . 1 21 21 GLU CA C 13 55.978 0.00 . 1 . . . . . 657 GLU CA . 51075 1 70 . 1 . 1 21 21 GLU CB C 13 35.528 0.00 . 1 . . . . . 657 GLU CB . 51075 1 71 . 1 . 1 21 21 GLU CG C 13 36.567 0.00 . 1 . . . . . 657 GLU CG . 51075 1 72 . 1 . 1 21 21 GLU N N 15 117.042 0.00 . 1 . . . . . 657 GLU N . 51075 1 73 . 1 . 1 22 22 GLY H H 1 8.834 0.00 . 1 . . . . . 658 GLY H . 51075 1 74 . 1 . 1 22 22 GLY N N 15 112.628 0.00 . 1 . . . . . 658 GLY N . 51075 1 75 . 1 . 1 23 23 GLU H H 1 8.841 0.00 . 1 . . . . . 659 GLU H . 51075 1 76 . 1 . 1 23 23 GLU HA H 1 4.172 0.00 . 1 . . . . . 659 GLU HA . 51075 1 77 . 1 . 1 23 23 GLU HB2 H 1 2.233 0.00 . 2 . . . . . 659 GLU HB2 . 51075 1 78 . 1 . 1 23 23 GLU HB3 H 1 2.378 0.00 . 2 . . . . . 659 GLU HB3 . 51075 1 79 . 1 . 1 23 23 GLU HG2 H 1 2.610 0.00 . 2 . . . . . 659 GLU HG2 . 51075 1 80 . 1 . 1 23 23 GLU HG3 H 1 2.540 0.00 . 2 . . . . . 659 GLU HG3 . 51075 1 81 . 1 . 1 23 23 GLU CA C 13 59.922 0.00 . 1 . . . . . 659 GLU CA . 51075 1 82 . 1 . 1 23 23 GLU CB C 13 29.388 0.00 . 1 . . . . . 659 GLU CB . 51075 1 83 . 1 . 1 23 23 GLU CG C 13 36.655 0.00 . 1 . . . . . 659 GLU CG . 51075 1 84 . 1 . 1 23 23 GLU N N 15 126.791 0.00 . 1 . . . . . 659 GLU N . 51075 1 85 . 1 . 1 24 24 GLY H H 1 9.077 0.00 . 1 . . . . . 660 GLY H . 51075 1 86 . 1 . 1 24 24 GLY HA2 H 1 4.198 0.00 . 2 . . . . . 660 GLY HA2 . 51075 1 87 . 1 . 1 24 24 GLY HA3 H 1 3.402 0.00 . 2 . . . . . 660 GLY HA3 . 51075 1 88 . 1 . 1 24 24 GLY CA C 13 46.307 0.00 . 1 . . . . . 660 GLY CA . 51075 1 89 . 1 . 1 24 24 GLY N N 15 104.369 0.00 . 1 . . . . . 660 GLY N . 51075 1 90 . 1 . 1 25 25 LEU H H 1 7.660 0.00 . 1 . . . . . 661 LEU H . 51075 1 91 . 1 . 1 25 25 LEU HA H 1 4.435 0.00 . 1 . . . . . 661 LEU HA . 51075 1 92 . 1 . 1 25 25 LEU HB2 H 1 1.729 0.00 . 1 . . . . . 661 LEU HB2 . 51075 1 93 . 1 . 1 25 25 LEU HB3 H 1 1.583 0.00 . 1 . . . . . 661 LEU HB3 . 51075 1 94 . 1 . 1 25 25 LEU HG H 1 0.647 0.00 . 1 . . . . . 661 LEU HG . 51075 1 95 . 1 . 1 25 25 LEU HD11 H 1 0.343 0.00 . 1 . . . . . 661 LEU MD1 . 51075 1 96 . 1 . 1 25 25 LEU HD12 H 1 0.343 0.00 . 1 . . . . . 661 LEU MD1 . 51075 1 97 . 1 . 1 25 25 LEU HD13 H 1 0.343 0.00 . 1 . . . . . 661 LEU MD1 . 51075 1 98 . 1 . 1 25 25 LEU HD21 H 1 -0.254 0.00 . 1 . . . . . 661 LEU MD2 . 51075 1 99 . 1 . 1 25 25 LEU HD22 H 1 -0.254 0.00 . 1 . . . . . 661 LEU MD2 . 51075 1 100 . 1 . 1 25 25 LEU HD23 H 1 -0.254 0.00 . 1 . . . . . 661 LEU MD2 . 51075 1 101 . 1 . 1 25 25 LEU CA C 13 53.746 0.00 . 1 . . . . . 661 LEU CA . 51075 1 102 . 1 . 1 25 25 LEU CB C 13 41.701 0.00 . 1 . . . . . 661 LEU CB . 51075 1 103 . 1 . 1 25 25 LEU CG C 13 26.553 0.00 . 1 . . . . . 661 LEU CG . 51075 1 104 . 1 . 1 25 25 LEU CD1 C 13 25.449 0.00 . 1 . . . . . 661 LEU CD1 . 51075 1 105 . 1 . 1 25 25 LEU CD2 C 13 21.439 0.00 . 1 . . . . . 661 LEU CD2 . 51075 1 106 . 1 . 1 25 25 LEU N N 15 115.623 0.00 . 1 . . . . . 661 LEU N . 51075 1 107 . 1 . 1 26 26 VAL H H 1 8.027 0.00 . 1 . . . . . 662 VAL H . 51075 1 108 . 1 . 1 26 26 VAL HA H 1 4.137 0.00 . 1 . . . . . 662 VAL HA . 51075 1 109 . 1 . 1 26 26 VAL HB H 1 2.166 0.00 . 1 . . . . . 662 VAL HB . 51075 1 110 . 1 . 1 26 26 VAL HG11 H 1 1.032 0.00 . 1 . . . . . 662 VAL MG1 . 51075 1 111 . 1 . 1 26 26 VAL HG12 H 1 1.032 0.00 . 1 . . . . . 662 VAL MG1 . 51075 1 112 . 1 . 1 26 26 VAL HG13 H 1 1.032 0.00 . 1 . . . . . 662 VAL MG1 . 51075 1 113 . 1 . 1 26 26 VAL HG21 H 1 0.992 0.00 . 1 . . . . . 662 VAL MG2 . 51075 1 114 . 1 . 1 26 26 VAL HG22 H 1 0.992 0.00 . 1 . . . . . 662 VAL MG2 . 51075 1 115 . 1 . 1 26 26 VAL HG23 H 1 0.992 0.00 . 1 . . . . . 662 VAL MG2 . 51075 1 116 . 1 . 1 26 26 VAL CA C 13 64.731 0.00 . 1 . . . . . 662 VAL CA . 51075 1 117 . 1 . 1 26 26 VAL CB C 13 34.868 0.00 . 1 . . . . . 662 VAL CB . 51075 1 118 . 1 . 1 26 26 VAL CG1 C 13 21.193 0.00 . 1 . . . . . 662 VAL CG1 . 51075 1 119 . 1 . 1 26 26 VAL CG2 C 13 20.972 0.00 . 1 . . . . . 662 VAL CG2 . 51075 1 120 . 1 . 1 26 26 VAL N N 15 121.229 0.00 . 1 . . . . . 662 VAL N . 51075 1 121 . 1 . 1 27 27 LYS H H 1 8.281 0.00 . 1 . . . . . 663 LYS H . 51075 1 122 . 1 . 1 27 27 LYS HA H 1 4.518 0.00 . 1 . . . . . 663 LYS HA . 51075 1 123 . 1 . 1 27 27 LYS HB2 H 1 1.778 0.00 . 2 . . . . . 663 LYS HB2 . 51075 1 124 . 1 . 1 27 27 LYS HB3 H 1 1.728 0.00 . 2 . . . . . 663 LYS HB3 . 51075 1 125 . 1 . 1 27 27 LYS HG2 H 1 1.248 0.00 . 2 . . . . . 663 LYS HG2 . 51075 1 126 . 1 . 1 27 27 LYS HG3 H 1 1.060 0.00 . 2 . . . . . 663 LYS HG3 . 51075 1 127 . 1 . 1 27 27 LYS HD2 H 1 1.660 0.00 . 2 . . . . . 663 LYS HD2 . 51075 1 128 . 1 . 1 27 27 LYS CA C 13 57.053 0.00 . 1 . . . . . 663 LYS CA . 51075 1 129 . 1 . 1 27 27 LYS CB C 13 33.718 0.00 . 1 . . . . . 663 LYS CB . 51075 1 130 . 1 . 1 27 27 LYS CG C 13 23.816 0.00 . 1 . . . . . 663 LYS CG . 51075 1 131 . 1 . 1 27 27 LYS CD C 13 29.397 0.00 . 1 . . . . . 663 LYS CD . 51075 1 132 . 1 . 1 27 27 LYS N N 15 121.849 0.00 . 1 . . . . . 663 LYS N . 51075 1 133 . 1 . 1 28 28 VAL H H 1 7.886 0.00 . 1 . . . . . 664 VAL H . 51075 1 134 . 1 . 1 28 28 VAL HA H 1 4.322 0.00 . 1 . . . . . 664 VAL HA . 51075 1 135 . 1 . 1 28 28 VAL HB H 1 1.909 0.00 . 1 . . . . . 664 VAL HB . 51075 1 136 . 1 . 1 28 28 VAL HG11 H 1 0.779 0.00 . 1 . . . . . 664 VAL MG1 . 51075 1 137 . 1 . 1 28 28 VAL HG12 H 1 0.779 0.00 . 1 . . . . . 664 VAL MG1 . 51075 1 138 . 1 . 1 28 28 VAL HG13 H 1 0.779 0.00 . 1 . . . . . 664 VAL MG1 . 51075 1 139 . 1 . 1 28 28 VAL HG21 H 1 0.605 0.00 . 1 . . . . . 664 VAL MG2 . 51075 1 140 . 1 . 1 28 28 VAL HG22 H 1 0.605 0.00 . 1 . . . . . 664 VAL MG2 . 51075 1 141 . 1 . 1 28 28 VAL HG23 H 1 0.605 0.00 . 1 . . . . . 664 VAL MG2 . 51075 1 142 . 1 . 1 28 28 VAL CA C 13 59.589 0.00 . 1 . . . . . 664 VAL CA . 51075 1 143 . 1 . 1 28 28 VAL CB C 13 34.923 0.00 . 1 . . . . . 664 VAL CB . 51075 1 144 . 1 . 1 28 28 VAL CG1 C 13 22.665 0.00 . 1 . . . . . 664 VAL CG1 . 51075 1 145 . 1 . 1 28 28 VAL CG2 C 13 20.402 0.00 . 1 . . . . . 664 VAL CG2 . 51075 1 146 . 1 . 1 28 28 VAL N N 15 122.819 0.00 . 1 . . . . . 664 VAL N . 51075 1 147 . 1 . 1 29 29 PHE H H 1 9.076 0.00 . 1 . . . . . 665 PHE H . 51075 1 148 . 1 . 1 29 29 PHE HA H 1 5.784 0.00 . 1 . . . . . 665 PHE HA . 51075 1 149 . 1 . 1 29 29 PHE HB2 H 1 3.217 0.00 . 2 . . . . . 665 PHE HB2 . 51075 1 150 . 1 . 1 29 29 PHE HB3 H 1 2.807 0.00 . 2 . . . . . 665 PHE HB3 . 51075 1 151 . 1 . 1 29 29 PHE CA C 13 55.724 0.00 . 1 . . . . . 665 PHE CA . 51075 1 152 . 1 . 1 29 29 PHE CB C 13 43.483 0.00 . 1 . . . . . 665 PHE CB . 51075 1 153 . 1 . 1 29 29 PHE N N 15 121.752 0.00 . 1 . . . . . 665 PHE N . 51075 1 154 . 1 . 1 30 30 ASP H H 1 7.995 0.00 . 1 . . . . . 666 ASP H . 51075 1 155 . 1 . 1 30 30 ASP HA H 1 4.761 0.00 . 1 . . . . . 666 ASP HA . 51075 1 156 . 1 . 1 30 30 ASP CA C 13 54.288 0.00 . 1 . . . . . 666 ASP CA . 51075 1 157 . 1 . 1 30 30 ASP N N 15 118.802 0.00 . 1 . . . . . 666 ASP N . 51075 1 158 . 1 . 1 31 31 ASN H H 1 7.750 0.00 . 1 . . . . . 667 ASN H . 51075 1 159 . 1 . 1 31 31 ASN HA H 1 4.773 0.00 . 1 . . . . . 667 ASN HA . 51075 1 160 . 1 . 1 31 31 ASN CA C 13 51.486 0.00 . 1 . . . . . 667 ASN CA . 51075 1 161 . 1 . 1 31 31 ASN N N 15 115.940 0.00 . 1 . . . . . 667 ASN N . 51075 1 162 . 1 . 1 32 32 ALA H H 1 7.445 0.00 . 1 . . . . . 668 ALA H . 51075 1 163 . 1 . 1 32 32 ALA HA H 1 4.875 0.00 . 1 . . . . . 668 ALA HA . 51075 1 164 . 1 . 1 32 32 ALA HB1 H 1 1.318 0.00 . 1 . . . . . 668 ALA HB . 51075 1 165 . 1 . 1 32 32 ALA HB2 H 1 1.318 0.00 . 1 . . . . . 668 ALA HB . 51075 1 166 . 1 . 1 32 32 ALA HB3 H 1 1.318 0.00 . 1 . . . . . 668 ALA HB . 51075 1 167 . 1 . 1 32 32 ALA CA C 13 50.315 0.00 . 1 . . . . . 668 ALA CA . 51075 1 168 . 1 . 1 32 32 ALA CB C 13 20.787 0.00 . 1 . . . . . 668 ALA CB . 51075 1 169 . 1 . 1 32 32 ALA N N 15 122.211 0.00 . 1 . . . . . 668 ALA N . 51075 1 170 . 1 . 1 33 33 PRO HA H 1 4.314 0.00 . 1 . . . . . 669 PRO HA . 51075 1 171 . 1 . 1 33 33 PRO HB2 H 1 2.551 0.00 . 2 . . . . . 669 PRO HB2 . 51075 1 172 . 1 . 1 33 33 PRO HB3 H 1 1.840 0.00 . 2 . . . . . 669 PRO HB3 . 51075 1 173 . 1 . 1 33 33 PRO HG2 H 1 2.136 0.00 . 2 . . . . . 669 PRO HG2 . 51075 1 174 . 1 . 1 33 33 PRO HG3 H 1 1.654 0.00 . 2 . . . . . 669 PRO HG3 . 51075 1 175 . 1 . 1 33 33 PRO HD2 H 1 3.763 0.00 . 2 . . . . . 669 PRO HD2 . 51075 1 176 . 1 . 1 33 33 PRO HD3 H 1 3.576 0.00 . 2 . . . . . 669 PRO HD3 . 51075 1 177 . 1 . 1 33 33 PRO CA C 13 63.423 0.00 . 1 . . . . . 669 PRO CA . 51075 1 178 . 1 . 1 33 33 PRO CB C 13 33.092 0.00 . 1 . . . . . 669 PRO CB . 51075 1 179 . 1 . 1 33 33 PRO CG C 13 27.998 0.00 . 1 . . . . . 669 PRO CG . 51075 1 180 . 1 . 1 33 33 PRO CD C 13 50.975 0.00 . 1 . . . . . 669 PRO CD . 51075 1 181 . 1 . 1 34 34 ALA H H 1 8.857 0.00 . 1 . . . . . 670 ALA H . 51075 1 182 . 1 . 1 34 34 ALA HA H 1 4.555 0.00 . 1 . . . . . 670 ALA HA . 51075 1 183 . 1 . 1 34 34 ALA HB1 H 1 0.528 0.00 . 1 . . . . . 670 ALA HB . 51075 1 184 . 1 . 1 34 34 ALA HB2 H 1 0.528 0.00 . 1 . . . . . 670 ALA HB . 51075 1 185 . 1 . 1 34 34 ALA HB3 H 1 0.528 0.00 . 1 . . . . . 670 ALA HB . 51075 1 186 . 1 . 1 34 34 ALA CA C 13 50.445 0.00 . 1 . . . . . 670 ALA CA . 51075 1 187 . 1 . 1 34 34 ALA CB C 13 20.882 0.00 . 1 . . . . . 670 ALA CB . 51075 1 188 . 1 . 1 34 34 ALA N N 15 128.057 0.00 . 1 . . . . . 670 ALA N . 51075 1 189 . 1 . 1 35 35 GLU H H 1 8.404 0.00 . 1 . . . . . 671 GLU H . 51075 1 190 . 1 . 1 35 35 GLU HA H 1 5.733 0.00 . 1 . . . . . 671 GLU HA . 51075 1 191 . 1 . 1 35 35 GLU HB2 H 1 2.060 0.00 . 2 . . . . . 671 GLU HB2 . 51075 1 192 . 1 . 1 35 35 GLU HB3 H 1 1.958 0.00 . 2 . . . . . 671 GLU HB3 . 51075 1 193 . 1 . 1 35 35 GLU HG2 H 1 2.175 0.00 . 2 . . . . . 671 GLU HG2 . 51075 1 194 . 1 . 1 35 35 GLU HG3 H 1 2.138 0.00 . 2 . . . . . 671 GLU HG3 . 51075 1 195 . 1 . 1 35 35 GLU CA C 13 54.387 0.00 . 1 . . . . . 671 GLU CA . 51075 1 196 . 1 . 1 35 35 GLU CB C 13 34.204 0.00 . 1 . . . . . 671 GLU CB . 51075 1 197 . 1 . 1 35 35 GLU CG C 13 36.907 0.00 . 1 . . . . . 671 GLU CG . 51075 1 198 . 1 . 1 35 35 GLU N N 15 117.674 0.00 . 1 . . . . . 671 GLU N . 51075 1 199 . 1 . 1 36 36 PHE H H 1 8.778 0.00 . 1 . . . . . 672 PHE H . 51075 1 200 . 1 . 1 36 36 PHE HA H 1 5.119 0.00 . 1 . . . . . 672 PHE HA . 51075 1 201 . 1 . 1 36 36 PHE HB2 H 1 2.889 0.00 . 2 . . . . . 672 PHE HB2 . 51075 1 202 . 1 . 1 36 36 PHE HB3 H 1 2.897 0.00 . 2 . . . . . 672 PHE HB3 . 51075 1 203 . 1 . 1 36 36 PHE CA C 13 57.409 0.00 . 1 . . . . . 672 PHE CA . 51075 1 204 . 1 . 1 36 36 PHE CB C 13 40.234 0.00 . 1 . . . . . 672 PHE CB . 51075 1 205 . 1 . 1 36 36 PHE N N 15 116.198 0.00 . 1 . . . . . 672 PHE N . 51075 1 206 . 1 . 1 37 37 THR H H 1 8.881 0.00 . 1 . . . . . 673 THR H . 51075 1 207 . 1 . 1 37 37 THR HA H 1 5.218 0.00 . 1 . . . . . 673 THR HA . 51075 1 208 . 1 . 1 37 37 THR HB H 1 3.859 0.00 . 1 . . . . . 673 THR HB . 51075 1 209 . 1 . 1 37 37 THR HG21 H 1 0.317 0.00 . 1 . . . . . 673 THR HG2 . 51075 1 210 . 1 . 1 37 37 THR HG22 H 1 0.317 0.00 . 1 . . . . . 673 THR HG2 . 51075 1 211 . 1 . 1 37 37 THR HG23 H 1 0.317 0.00 . 1 . . . . . 673 THR HG2 . 51075 1 212 . 1 . 1 37 37 THR CA C 13 61.277 0.00 . 1 . . . . . 673 THR CA . 51075 1 213 . 1 . 1 37 37 THR CB C 13 71.876 0.00 . 1 . . . . . 673 THR CB . 51075 1 214 . 1 . 1 37 37 THR CG2 C 13 21.867 0.00 . 1 . . . . . 673 THR CG2 . 51075 1 215 . 1 . 1 37 37 THR N N 15 116.688 0.00 . 1 . . . . . 673 THR N . 51075 1 216 . 1 . 1 38 38 ILE H H 1 9.308 0.00 . 1 . . . . . 674 ILE H . 51075 1 217 . 1 . 1 38 38 ILE HA H 1 4.118 0.00 . 1 . . . . . 674 ILE HA . 51075 1 218 . 1 . 1 38 38 ILE HB H 1 1.401 0.00 . 1 . . . . . 674 ILE HB . 51075 1 219 . 1 . 1 38 38 ILE HG12 H 1 1.671 0.00 . 2 . . . . . 674 ILE HG12 . 51075 1 220 . 1 . 1 38 38 ILE HG13 H 1 0.573 0.00 . 2 . . . . . 674 ILE HG13 . 51075 1 221 . 1 . 1 38 38 ILE HG21 H 1 -0.200 0.00 . 1 . . . . . 674 ILE HG2 . 51075 1 222 . 1 . 1 38 38 ILE HG22 H 1 -0.200 0.00 . 1 . . . . . 674 ILE HG2 . 51075 1 223 . 1 . 1 38 38 ILE HG23 H 1 -0.200 0.00 . 1 . . . . . 674 ILE HG2 . 51075 1 224 . 1 . 1 38 38 ILE HD11 H 1 0.363 0.00 . 1 . . . . . 674 ILE MD1 . 51075 1 225 . 1 . 1 38 38 ILE HD12 H 1 0.363 0.00 . 1 . . . . . 674 ILE MD1 . 51075 1 226 . 1 . 1 38 38 ILE HD13 H 1 0.363 0.00 . 1 . . . . . 674 ILE MD1 . 51075 1 227 . 1 . 1 38 38 ILE CA C 13 60.868 0.00 . 1 . . . . . 674 ILE CA . 51075 1 228 . 1 . 1 38 38 ILE CB C 13 39.795 0.00 . 1 . . . . . 674 ILE CB . 51075 1 229 . 1 . 1 38 38 ILE CG1 C 13 27.586 0.02 . 1 . . . . . 674 ILE CG1 . 51075 1 230 . 1 . 1 38 38 ILE CG2 C 13 15.852 0.00 . 1 . . . . . 674 ILE CG2 . 51075 1 231 . 1 . 1 38 38 ILE CD1 C 13 14.411 0.00 . 1 . . . . . 674 ILE CD1 . 51075 1 232 . 1 . 1 38 38 ILE N N 15 125.333 0.00 . 1 . . . . . 674 ILE N . 51075 1 233 . 1 . 1 39 39 PHE H H 1 9.359 0.00 . 1 . . . . . 675 PHE H . 51075 1 234 . 1 . 1 39 39 PHE HA H 1 4.331 0.00 . 1 . . . . . 675 PHE HA . 51075 1 235 . 1 . 1 39 39 PHE HB2 H 1 2.499 0.00 . 2 . . . . . 675 PHE HB2 . 51075 1 236 . 1 . 1 39 39 PHE HB3 H 1 1.400 0.00 . 2 . . . . . 675 PHE HB3 . 51075 1 237 . 1 . 1 39 39 PHE CA C 13 57.395 0.00 . 1 . . . . . 675 PHE CA . 51075 1 238 . 1 . 1 39 39 PHE CB C 13 38.414 0.00 . 1 . . . . . 675 PHE CB . 51075 1 239 . 1 . 1 39 39 PHE N N 15 128.045 0.00 . 1 . . . . . 675 PHE N . 51075 1 240 . 1 . 1 40 40 ALA H H 1 8.633 0.00 . 1 . . . . . 676 ALA H . 51075 1 241 . 1 . 1 40 40 ALA HA H 1 4.618 0.00 . 1 . . . . . 676 ALA HA . 51075 1 242 . 1 . 1 40 40 ALA HB1 H 1 1.836 0.00 . 1 . . . . . 676 ALA HB . 51075 1 243 . 1 . 1 40 40 ALA HB2 H 1 1.836 0.00 . 1 . . . . . 676 ALA HB . 51075 1 244 . 1 . 1 40 40 ALA HB3 H 1 1.836 0.00 . 1 . . . . . 676 ALA HB . 51075 1 245 . 1 . 1 40 40 ALA CA C 13 51.861 0.00 . 1 . . . . . 676 ALA CA . 51075 1 246 . 1 . 1 40 40 ALA CB C 13 21.180 0.00 . 1 . . . . . 676 ALA CB . 51075 1 247 . 1 . 1 40 40 ALA N N 15 124.822 0.00 . 1 . . . . . 676 ALA N . 51075 1 248 . 1 . 1 41 41 VAL H H 1 9.233 0.00 . 1 . . . . . 677 VAL H . 51075 1 249 . 1 . 1 41 41 VAL HA H 1 4.362 0.00 . 1 . . . . . 677 VAL HA . 51075 1 250 . 1 . 1 41 41 VAL HB H 1 1.635 0.00 . 1 . . . . . 677 VAL HB . 51075 1 251 . 1 . 1 41 41 VAL HG11 H 1 0.972 0.00 . 1 . . . . . 677 VAL MG1 . 51075 1 252 . 1 . 1 41 41 VAL HG12 H 1 0.972 0.00 . 1 . . . . . 677 VAL MG1 . 51075 1 253 . 1 . 1 41 41 VAL HG13 H 1 0.972 0.00 . 1 . . . . . 677 VAL MG1 . 51075 1 254 . 1 . 1 41 41 VAL HG21 H 1 1.138 0.00 . 1 . . . . . 677 VAL MG2 . 51075 1 255 . 1 . 1 41 41 VAL HG22 H 1 1.138 0.00 . 1 . . . . . 677 VAL MG2 . 51075 1 256 . 1 . 1 41 41 VAL HG23 H 1 1.138 0.00 . 1 . . . . . 677 VAL MG2 . 51075 1 257 . 1 . 1 41 41 VAL CA C 13 61.633 0.00 . 1 . . . . . 677 VAL CA . 51075 1 258 . 1 . 1 41 41 VAL CB C 13 35.315 0.00 . 1 . . . . . 677 VAL CB . 51075 1 259 . 1 . 1 41 41 VAL CG1 C 13 22.593 0.00 . 1 . . . . . 677 VAL CG1 . 51075 1 260 . 1 . 1 41 41 VAL CG2 C 13 22.514 0.00 . 1 . . . . . 677 VAL CG2 . 51075 1 261 . 1 . 1 41 41 VAL N N 15 127.563 0.00 . 1 . . . . . 677 VAL N . 51075 1 262 . 1 . 1 42 42 ASP H H 1 8.987 0.00 . 1 . . . . . 678 ASP H . 51075 1 263 . 1 . 1 42 42 ASP HA H 1 5.146 0.00 . 1 . . . . . 678 ASP HA . 51075 1 264 . 1 . 1 42 42 ASP HB2 H 1 3.365 0.00 . 2 . . . . . 678 ASP HB2 . 51075 1 265 . 1 . 1 42 42 ASP HB3 H 1 2.207 0.00 . 2 . . . . . 678 ASP HB3 . 51075 1 266 . 1 . 1 42 42 ASP CA C 13 53.872 0.00 . 1 . . . . . 678 ASP CA . 51075 1 267 . 1 . 1 42 42 ASP CB C 13 42.881 0.00 . 1 . . . . . 678 ASP CB . 51075 1 268 . 1 . 1 42 42 ASP N N 15 127.064 0.00 . 1 . . . . . 678 ASP N . 51075 1 269 . 1 . 1 43 43 THR H H 1 7.486 0.00 . 1 . . . . . 679 THR H . 51075 1 270 . 1 . 1 43 43 THR HA H 1 4.050 0.00 . 1 . . . . . 679 THR HA . 51075 1 271 . 1 . 1 43 43 THR HB H 1 4.527 0.00 . 1 . . . . . 679 THR HB . 51075 1 272 . 1 . 1 43 43 THR HG21 H 1 1.321 0.00 . 1 . . . . . 679 THR HG2 . 51075 1 273 . 1 . 1 43 43 THR HG22 H 1 1.321 0.00 . 1 . . . . . 679 THR HG2 . 51075 1 274 . 1 . 1 43 43 THR HG23 H 1 1.321 0.00 . 1 . . . . . 679 THR HG2 . 51075 1 275 . 1 . 1 43 43 THR CA C 13 64.051 0.00 . 1 . . . . . 679 THR CA . 51075 1 276 . 1 . 1 43 43 THR CB C 13 69.043 0.00 . 1 . . . . . 679 THR CB . 51075 1 277 . 1 . 1 43 43 THR CG2 C 13 22.127 0.00 . 1 . . . . . 679 THR CG2 . 51075 1 278 . 1 . 1 43 43 THR N N 15 104.544 0.00 . 1 . . . . . 679 THR N . 51075 1 279 . 1 . 1 44 44 LYS H H 1 8.941 0.00 . 1 . . . . . 680 LYS H . 51075 1 280 . 1 . 1 44 44 LYS HA H 1 4.474 0.00 . 1 . . . . . 680 LYS HA . 51075 1 281 . 1 . 1 44 44 LYS HB2 H 1 1.973 0.00 . 1 . . . . . 680 LYS HB2 . 51075 1 282 . 1 . 1 44 44 LYS HG2 H 1 1.430 0.00 . 2 . . . . . 680 LYS HG2 . 51075 1 283 . 1 . 1 44 44 LYS HG3 H 1 1.362 0.00 . 2 . . . . . 680 LYS HG3 . 51075 1 284 . 1 . 1 44 44 LYS HD2 H 1 1.646 0.00 . 2 . . . . . 680 LYS HD2 . 51075 1 285 . 1 . 1 44 44 LYS HE2 H 1 2.955 0.00 . 2 . . . . . 680 LYS HE2 . 51075 1 286 . 1 . 1 44 44 LYS CA C 13 55.031 0.00 . 1 . . . . . 680 LYS CA . 51075 1 287 . 1 . 1 44 44 LYS CB C 13 31.994 0.00 . 1 . . . . . 680 LYS CB . 51075 1 288 . 1 . 1 44 44 LYS CG C 13 24.934 0.07 . 1 . . . . . 680 LYS CG . 51075 1 289 . 1 . 1 44 44 LYS CD C 13 28.575 0.00 . 1 . . . . . 680 LYS CD . 51075 1 290 . 1 . 1 44 44 LYS CE C 13 42.285 0.00 . 1 . . . . . 680 LYS CE . 51075 1 291 . 1 . 1 44 44 LYS N N 15 121.974 0.00 . 1 . . . . . 680 LYS N . 51075 1 292 . 1 . 1 45 45 GLY H H 1 8.074 0.00 . 1 . . . . . 681 GLY H . 51075 1 293 . 1 . 1 45 45 GLY HA2 H 1 3.859 0.00 . 2 . . . . . 681 GLY HA2 . 51075 1 294 . 1 . 1 45 45 GLY HA3 H 1 2.999 0.00 . 2 . . . . . 681 GLY HA3 . 51075 1 295 . 1 . 1 45 45 GLY CA C 13 45.286 0.00 . 1 . . . . . 681 GLY CA . 51075 1 296 . 1 . 1 45 45 GLY N N 15 108.496 0.00 . 1 . . . . . 681 GLY N . 51075 1 297 . 1 . 1 46 46 VAL H H 1 8.400 0.00 . 1 . . . . . 682 VAL H . 51075 1 298 . 1 . 1 46 46 VAL HA H 1 4.015 0.00 . 1 . . . . . 682 VAL HA . 51075 1 299 . 1 . 1 46 46 VAL HB H 1 2.435 0.00 . 1 . . . . . 682 VAL HB . 51075 1 300 . 1 . 1 46 46 VAL HG11 H 1 1.000 0.00 . 1 . . . . . 682 VAL MG1 . 51075 1 301 . 1 . 1 46 46 VAL HG12 H 1 1.000 0.00 . 1 . . . . . 682 VAL MG1 . 51075 1 302 . 1 . 1 46 46 VAL HG13 H 1 1.000 0.00 . 1 . . . . . 682 VAL MG1 . 51075 1 303 . 1 . 1 46 46 VAL HG21 H 1 0.780 0.00 . 1 . . . . . 682 VAL MG2 . 51075 1 304 . 1 . 1 46 46 VAL HG22 H 1 0.780 0.00 . 1 . . . . . 682 VAL MG2 . 51075 1 305 . 1 . 1 46 46 VAL HG23 H 1 0.780 0.00 . 1 . . . . . 682 VAL MG2 . 51075 1 306 . 1 . 1 46 46 VAL CA C 13 61.810 0.00 . 1 . . . . . 682 VAL CA . 51075 1 307 . 1 . 1 46 46 VAL CB C 13 31.948 0.00 . 1 . . . . . 682 VAL CB . 51075 1 308 . 1 . 1 46 46 VAL CG1 C 13 21.255 0.00 . 1 . . . . . 682 VAL CG1 . 51075 1 309 . 1 . 1 46 46 VAL CG2 C 13 21.458 0.00 . 1 . . . . . 682 VAL CG2 . 51075 1 310 . 1 . 1 46 46 VAL N N 15 125.339 0.00 . 1 . . . . . 682 VAL N . 51075 1 311 . 1 . 1 47 47 ALA H H 1 8.839 0.00 . 1 . . . . . 683 ALA H . 51075 1 312 . 1 . 1 47 47 ALA HA H 1 4.325 0.00 . 1 . . . . . 683 ALA HA . 51075 1 313 . 1 . 1 47 47 ALA HB1 H 1 1.539 0.00 . 1 . . . . . 683 ALA HB . 51075 1 314 . 1 . 1 47 47 ALA HB2 H 1 1.539 0.00 . 1 . . . . . 683 ALA HB . 51075 1 315 . 1 . 1 47 47 ALA HB3 H 1 1.539 0.00 . 1 . . . . . 683 ALA HB . 51075 1 316 . 1 . 1 47 47 ALA CA C 13 54.062 0.00 . 1 . . . . . 683 ALA CA . 51075 1 317 . 1 . 1 47 47 ALA CB C 13 18.183 0.00 . 1 . . . . . 683 ALA CB . 51075 1 318 . 1 . 1 47 47 ALA N N 15 131.486 0.00 . 1 . . . . . 683 ALA N . 51075 1 319 . 1 . 1 48 48 ARG H H 1 8.676 0.00 . 1 . . . . . 684 ARG H . 51075 1 320 . 1 . 1 48 48 ARG HA H 1 4.425 0.00 . 1 . . . . . 684 ARG HA . 51075 1 321 . 1 . 1 48 48 ARG HB2 H 1 2.135 0.00 . 2 . . . . . 684 ARG HB2 . 51075 1 322 . 1 . 1 48 48 ARG CA C 13 55.285 0.00 . 1 . . . . . 684 ARG CA . 51075 1 323 . 1 . 1 48 48 ARG CB C 13 29.185 0.00 . 1 . . . . . 684 ARG CB . 51075 1 324 . 1 . 1 48 48 ARG N N 15 124.084 0.00 . 1 . . . . . 684 ARG N . 51075 1 325 . 1 . 1 49 49 THR H H 1 8.370 0.00 . 1 . . . . . 685 THR H . 51075 1 326 . 1 . 1 49 49 THR HA H 1 4.361 0.00 . 1 . . . . . 685 THR HA . 51075 1 327 . 1 . 1 49 49 THR HB H 1 4.469 0.00 . 1 . . . . . 685 THR HB . 51075 1 328 . 1 . 1 49 49 THR HG21 H 1 1.201 0.00 . 1 . . . . . 685 THR HG2 . 51075 1 329 . 1 . 1 49 49 THR HG22 H 1 1.201 0.00 . 1 . . . . . 685 THR HG2 . 51075 1 330 . 1 . 1 49 49 THR HG23 H 1 1.201 0.00 . 1 . . . . . 685 THR HG2 . 51075 1 331 . 1 . 1 49 49 THR CA C 13 61.520 0.00 . 1 . . . . . 685 THR CA . 51075 1 332 . 1 . 1 49 49 THR CB C 13 69.409 0.00 . 1 . . . . . 685 THR CB . 51075 1 333 . 1 . 1 49 49 THR CG2 C 13 21.852 0.00 . 1 . . . . . 685 THR CG2 . 51075 1 334 . 1 . 1 49 49 THR N N 15 106.946 0.00 . 1 . . . . . 685 THR N . 51075 1 335 . 1 . 1 50 50 ASP H H 1 7.452 0.00 . 1 . . . . . 686 ASP H . 51075 1 336 . 1 . 1 50 50 ASP HA H 1 4.258 0.00 . 1 . . . . . 686 ASP HA . 51075 1 337 . 1 . 1 50 50 ASP HB2 H 1 2.801 0.00 . 2 . . . . . 686 ASP HB2 . 51075 1 338 . 1 . 1 50 50 ASP CA C 13 52.469 0.00 . 1 . . . . . 686 ASP CA . 51075 1 339 . 1 . 1 50 50 ASP CB C 13 41.555 0.00 . 1 . . . . . 686 ASP CB . 51075 1 340 . 1 . 1 50 50 ASP N N 15 118.955 0.00 . 1 . . . . . 686 ASP N . 51075 1 341 . 1 . 1 51 51 GLY H H 1 8.056 0.00 . 1 . . . . . 687 GLY H . 51075 1 342 . 1 . 1 51 51 GLY HA2 H 1 4.695 0.00 . 2 . . . . . 687 GLY HA2 . 51075 1 343 . 1 . 1 51 51 GLY HA3 H 1 4.413 0.00 . 2 . . . . . 687 GLY HA3 . 51075 1 344 . 1 . 1 51 51 GLY CA C 13 45.153 0.00 . 1 . . . . . 687 GLY CA . 51075 1 345 . 1 . 1 51 51 GLY N N 15 104.027 0.00 . 1 . . . . . 687 GLY N . 51075 1 346 . 1 . 1 52 52 GLY H H 1 9.879 0.00 . 1 . . . . . 688 GLY H . 51075 1 347 . 1 . 1 52 52 GLY HA2 H 1 4.140 0.00 . 2 . . . . . 688 GLY HA2 . 51075 1 348 . 1 . 1 52 52 GLY HA3 H 1 3.688 0.00 . 2 . . . . . 688 GLY HA3 . 51075 1 349 . 1 . 1 52 52 GLY CA C 13 45.225 0.00 . 1 . . . . . 688 GLY CA . 51075 1 350 . 1 . 1 52 52 GLY N N 15 108.554 0.00 . 1 . . . . . 688 GLY N . 51075 1 351 . 1 . 1 53 53 ASP H H 1 8.600 0.00 . 1 . . . . . 689 ASP H . 51075 1 352 . 1 . 1 53 53 ASP HA H 1 5.075 0.00 . 1 . . . . . 689 ASP HA . 51075 1 353 . 1 . 1 53 53 ASP CA C 13 52.013 0.00 . 1 . . . . . 689 ASP CA . 51075 1 354 . 1 . 1 53 53 ASP N N 15 121.923 0.00 . 1 . . . . . 689 ASP N . 51075 1 355 . 1 . 1 54 54 PRO HA H 1 4.690 0.00 . 1 . . . . . 690 PRO HA . 51075 1 356 . 1 . 1 54 54 PRO HG2 H 1 1.763 0.00 . 2 . . . . . 690 PRO HG2 . 51075 1 357 . 1 . 1 54 54 PRO HG3 H 1 1.611 0.00 . 2 . . . . . 690 PRO HG3 . 51075 1 358 . 1 . 1 54 54 PRO HD2 H 1 3.785 0.00 . 2 . . . . . 690 PRO HD2 . 51075 1 359 . 1 . 1 54 54 PRO HD3 H 1 3.086 0.00 . 2 . . . . . 690 PRO HD3 . 51075 1 360 . 1 . 1 54 54 PRO CA C 13 62.739 0.00 . 1 . . . . . 690 PRO CA . 51075 1 361 . 1 . 1 54 54 PRO CG C 13 27.599 0.00 . 1 . . . . . 690 PRO CG . 51075 1 362 . 1 . 1 54 54 PRO CD C 13 50.426 0.00 . 1 . . . . . 690 PRO CD . 51075 1 363 . 1 . 1 55 55 PHE H H 1 7.627 0.00 . 1 . . . . . 691 PHE H . 51075 1 364 . 1 . 1 55 55 PHE HA H 1 4.708 0.00 . 1 . . . . . 691 PHE HA . 51075 1 365 . 1 . 1 55 55 PHE HB2 H 1 2.450 0.00 . 2 . . . . . 691 PHE HB2 . 51075 1 366 . 1 . 1 55 55 PHE HB3 H 1 1.992 0.00 . 2 . . . . . 691 PHE HB3 . 51075 1 367 . 1 . 1 55 55 PHE CA C 13 59.718 0.00 . 1 . . . . . 691 PHE CA . 51075 1 368 . 1 . 1 55 55 PHE CB C 13 40.539 0.00 . 1 . . . . . 691 PHE CB . 51075 1 369 . 1 . 1 55 55 PHE N N 15 123.113 0.00 . 1 . . . . . 691 PHE N . 51075 1 370 . 1 . 1 56 56 GLU H H 1 8.975 0.00 . 1 . . . . . 692 GLU H . 51075 1 371 . 1 . 1 56 56 GLU HA H 1 4.599 0.00 . 1 . . . . . 692 GLU HA . 51075 1 372 . 1 . 1 56 56 GLU HG3 H 1 2.109 0.00 . 2 . . . . . 692 GLU HG3 . 51075 1 373 . 1 . 1 56 56 GLU CA C 13 54.999 0.00 . 1 . . . . . 692 GLU CA . 51075 1 374 . 1 . 1 56 56 GLU CG C 13 36.742 0.00 . 1 . . . . . 692 GLU CG . 51075 1 375 . 1 . 1 56 56 GLU N N 15 121.582 0.00 . 1 . . . . . 692 GLU N . 51075 1 376 . 1 . 1 57 57 VAL H H 1 8.825 0.00 . 1 . . . . . 693 VAL H . 51075 1 377 . 1 . 1 57 57 VAL HA H 1 4.646 0.00 . 1 . . . . . 693 VAL HA . 51075 1 378 . 1 . 1 57 57 VAL HB H 1 1.796 0.00 . 1 . . . . . 693 VAL HB . 51075 1 379 . 1 . 1 57 57 VAL HG11 H 1 0.761 0.00 . 1 . . . . . 693 VAL MG1 . 51075 1 380 . 1 . 1 57 57 VAL HG12 H 1 0.761 0.00 . 1 . . . . . 693 VAL MG1 . 51075 1 381 . 1 . 1 57 57 VAL HG13 H 1 0.761 0.00 . 1 . . . . . 693 VAL MG1 . 51075 1 382 . 1 . 1 57 57 VAL HG21 H 1 0.839 0.00 . 1 . . . . . 693 VAL MG2 . 51075 1 383 . 1 . 1 57 57 VAL HG22 H 1 0.839 0.00 . 1 . . . . . 693 VAL MG2 . 51075 1 384 . 1 . 1 57 57 VAL HG23 H 1 0.839 0.00 . 1 . . . . . 693 VAL MG2 . 51075 1 385 . 1 . 1 57 57 VAL CA C 13 61.397 0.00 . 1 . . . . . 693 VAL CA . 51075 1 386 . 1 . 1 57 57 VAL CB C 13 34.094 0.00 . 1 . . . . . 693 VAL CB . 51075 1 387 . 1 . 1 57 57 VAL CG1 C 13 21.542 0.00 . 1 . . . . . 693 VAL CG1 . 51075 1 388 . 1 . 1 57 57 VAL CG2 C 13 22.110 0.00 . 1 . . . . . 693 VAL CG2 . 51075 1 389 . 1 . 1 57 57 VAL N N 15 120.922 0.00 . 1 . . . . . 693 VAL N . 51075 1 390 . 1 . 1 58 58 ALA H H 1 8.569 0.00 . 1 . . . . . 694 ALA H . 51075 1 391 . 1 . 1 58 58 ALA HA H 1 4.884 0.00 . 1 . . . . . 694 ALA HA . 51075 1 392 . 1 . 1 58 58 ALA HB1 H 1 1.358 0.00 . 1 . . . . . 694 ALA HB . 51075 1 393 . 1 . 1 58 58 ALA HB2 H 1 1.358 0.00 . 1 . . . . . 694 ALA HB . 51075 1 394 . 1 . 1 58 58 ALA HB3 H 1 1.358 0.00 . 1 . . . . . 694 ALA HB . 51075 1 395 . 1 . 1 58 58 ALA CA C 13 50.804 0.00 . 1 . . . . . 694 ALA CA . 51075 1 396 . 1 . 1 58 58 ALA CB C 13 21.415 0.00 . 1 . . . . . 694 ALA CB . 51075 1 397 . 1 . 1 58 58 ALA N N 15 131.639 0.00 . 1 . . . . . 694 ALA N . 51075 1 398 . 1 . 1 59 59 ILE H H 1 9.087 0.00 . 1 . . . . . 695 ILE H . 51075 1 399 . 1 . 1 59 59 ILE HA H 1 5.157 0.00 . 1 . . . . . 695 ILE HA . 51075 1 400 . 1 . 1 59 59 ILE HB H 1 1.756 0.00 . 1 . . . . . 695 ILE HB . 51075 1 401 . 1 . 1 59 59 ILE HG12 H 1 1.306 0.00 . 2 . . . . . 695 ILE HG12 . 51075 1 402 . 1 . 1 59 59 ILE HG13 H 1 0.703 0.00 . 2 . . . . . 695 ILE HG13 . 51075 1 403 . 1 . 1 59 59 ILE HG21 H 1 0.538 0.00 . 1 . . . . . 695 ILE HG2 . 51075 1 404 . 1 . 1 59 59 ILE HG22 H 1 0.538 0.00 . 1 . . . . . 695 ILE HG2 . 51075 1 405 . 1 . 1 59 59 ILE HG23 H 1 0.538 0.00 . 1 . . . . . 695 ILE HG2 . 51075 1 406 . 1 . 1 59 59 ILE HD11 H 1 -0.104 0.00 . 1 . . . . . 695 ILE MD1 . 51075 1 407 . 1 . 1 59 59 ILE HD12 H 1 -0.104 0.00 . 1 . . . . . 695 ILE MD1 . 51075 1 408 . 1 . 1 59 59 ILE HD13 H 1 -0.104 0.00 . 1 . . . . . 695 ILE MD1 . 51075 1 409 . 1 . 1 59 59 ILE CA C 13 60.255 0.00 . 1 . . . . . 695 ILE CA . 51075 1 410 . 1 . 1 59 59 ILE CB C 13 40.382 0.00 . 1 . . . . . 695 ILE CB . 51075 1 411 . 1 . 1 59 59 ILE CG1 C 13 27.383 0.01 . 1 . . . . . 695 ILE CG1 . 51075 1 412 . 1 . 1 59 59 ILE CG2 C 13 17.046 0.00 . 1 . . . . . 695 ILE CG2 . 51075 1 413 . 1 . 1 59 59 ILE CD1 C 13 13.499 0.00 . 1 . . . . . 695 ILE CD1 . 51075 1 414 . 1 . 1 59 59 ILE N N 15 124.643 0.00 . 1 . . . . . 695 ILE N . 51075 1 415 . 1 . 1 60 60 ASN H H 1 8.671 0.00 . 1 . . . . . 696 ASN H . 51075 1 416 . 1 . 1 60 60 ASN HA H 1 5.428 0.00 . 1 . . . . . 696 ASN HA . 51075 1 417 . 1 . 1 60 60 ASN HB2 H 1 2.743 0.00 . 2 . . . . . 696 ASN HB2 . 51075 1 418 . 1 . 1 60 60 ASN HB3 H 1 2.621 0.00 . 2 . . . . . 696 ASN HB3 . 51075 1 419 . 1 . 1 60 60 ASN CA C 13 52.180 0.00 . 1 . . . . . 696 ASN CA . 51075 1 420 . 1 . 1 60 60 ASN CB C 13 42.126 0.00 . 1 . . . . . 696 ASN CB . 51075 1 421 . 1 . 1 60 60 ASN N N 15 126.003 0.00 . 1 . . . . . 696 ASN N . 51075 1 422 . 1 . 1 61 61 GLY H H 1 9.330 0.00 . 1 . . . . . 697 GLY H . 51075 1 423 . 1 . 1 61 61 GLY N N 15 112.157 0.00 . 1 . . . . . 697 GLY N . 51075 1 424 . 1 . 1 62 62 PRO HA H 1 4.267 0.00 . 1 . . . . . 698 PRO HA . 51075 1 425 . 1 . 1 62 62 PRO HB2 H 1 1.671 0.00 . 2 . . . . . 698 PRO HB2 . 51075 1 426 . 1 . 1 62 62 PRO HB3 H 1 2.293 0.00 . 2 . . . . . 698 PRO HB3 . 51075 1 427 . 1 . 1 62 62 PRO HG2 H 1 1.926 0.00 . 2 . . . . . 698 PRO HG2 . 51075 1 428 . 1 . 1 62 62 PRO HD2 H 1 2.231 0.00 . 2 . . . . . 698 PRO HD2 . 51075 1 429 . 1 . 1 62 62 PRO HD3 H 1 2.760 0.00 . 2 . . . . . 698 PRO HD3 . 51075 1 430 . 1 . 1 62 62 PRO CA C 13 63.347 0.00 . 1 . . . . . 698 PRO CA . 51075 1 431 . 1 . 1 62 62 PRO CB C 13 32.183 0.00 . 1 . . . . . 698 PRO CB . 51075 1 432 . 1 . 1 62 62 PRO CG C 13 27.423 0.00 . 1 . . . . . 698 PRO CG . 51075 1 433 . 1 . 1 62 62 PRO CD C 13 49.596 0.00 . 1 . . . . . 698 PRO CD . 51075 1 434 . 1 . 1 63 63 ASP H H 1 8.882 0.00 . 1 . . . . . 699 ASP H . 51075 1 435 . 1 . 1 63 63 ASP HA H 1 4.270 0.00 . 1 . . . . . 699 ASP HA . 51075 1 436 . 1 . 1 63 63 ASP HB2 H 1 2.887 0.00 . 2 . . . . . 699 ASP HB2 . 51075 1 437 . 1 . 1 63 63 ASP HB3 H 1 2.589 0.00 . 2 . . . . . 699 ASP HB3 . 51075 1 438 . 1 . 1 63 63 ASP CA C 13 55.061 0.00 . 1 . . . . . 699 ASP CA . 51075 1 439 . 1 . 1 63 63 ASP CB C 13 39.953 0.00 . 1 . . . . . 699 ASP CB . 51075 1 440 . 1 . 1 63 63 ASP N N 15 119.717 0.00 . 1 . . . . . 699 ASP N . 51075 1 441 . 1 . 1 64 64 GLY H H 1 8.104 0.00 . 1 . . . . . 700 GLY H . 51075 1 442 . 1 . 1 64 64 GLY HA2 H 1 4.032 0.00 . 2 . . . . . 700 GLY HA2 . 51075 1 443 . 1 . 1 64 64 GLY HA3 H 1 3.657 0.00 . 2 . . . . . 700 GLY HA3 . 51075 1 444 . 1 . 1 64 64 GLY CA C 13 45.631 0.00 . 1 . . . . . 700 GLY CA . 51075 1 445 . 1 . 1 64 64 GLY N N 15 104.872 0.00 . 1 . . . . . 700 GLY N . 51075 1 446 . 1 . 1 65 65 LEU H H 1 7.105 0.00 . 1 . . . . . 701 LEU H . 51075 1 447 . 1 . 1 65 65 LEU HA H 1 4.117 0.00 . 1 . . . . . 701 LEU HA . 51075 1 448 . 1 . 1 65 65 LEU HB2 H 1 1.618 0.00 . 2 . . . . . 701 LEU HB2 . 51075 1 449 . 1 . 1 65 65 LEU HB3 H 1 1.283 0.00 . 2 . . . . . 701 LEU HB3 . 51075 1 450 . 1 . 1 65 65 LEU HG H 1 1.472 0.00 . 1 . . . . . 701 LEU HG . 51075 1 451 . 1 . 1 65 65 LEU HD11 H 1 0.961 0.00 . 1 . . . . . 701 LEU MD1 . 51075 1 452 . 1 . 1 65 65 LEU HD12 H 1 0.961 0.00 . 1 . . . . . 701 LEU MD1 . 51075 1 453 . 1 . 1 65 65 LEU HD13 H 1 0.961 0.00 . 1 . . . . . 701 LEU MD1 . 51075 1 454 . 1 . 1 65 65 LEU HD21 H 1 0.957 0.00 . 1 . . . . . 701 LEU MD2 . 51075 1 455 . 1 . 1 65 65 LEU HD22 H 1 0.957 0.00 . 1 . . . . . 701 LEU MD2 . 51075 1 456 . 1 . 1 65 65 LEU HD23 H 1 0.957 0.00 . 1 . . . . . 701 LEU MD2 . 51075 1 457 . 1 . 1 65 65 LEU CA C 13 55.823 0.00 . 1 . . . . . 701 LEU CA . 51075 1 458 . 1 . 1 65 65 LEU CB C 13 43.385 0.00 . 1 . . . . . 701 LEU CB . 51075 1 459 . 1 . 1 65 65 LEU CG C 13 26.791 0.00 . 1 . . . . . 701 LEU CG . 51075 1 460 . 1 . 1 65 65 LEU CD1 C 13 23.618 0.00 . 1 . . . . . 701 LEU CD1 . 51075 1 461 . 1 . 1 65 65 LEU CD2 C 13 26.159 0.00 . 1 . . . . . 701 LEU CD2 . 51075 1 462 . 1 . 1 65 65 LEU N N 15 123.158 0.00 . 1 . . . . . 701 LEU N . 51075 1 463 . 1 . 1 66 66 VAL H H 1 8.593 0.00 . 1 . . . . . 702 VAL H . 51075 1 464 . 1 . 1 66 66 VAL HA H 1 4.343 0.00 . 1 . . . . . 702 VAL HA . 51075 1 465 . 1 . 1 66 66 VAL HB H 1 2.024 0.00 . 1 . . . . . 702 VAL HB . 51075 1 466 . 1 . 1 66 66 VAL HG11 H 1 0.962 0.00 . 1 . . . . . 702 VAL MG1 . 51075 1 467 . 1 . 1 66 66 VAL HG12 H 1 0.962 0.00 . 1 . . . . . 702 VAL MG1 . 51075 1 468 . 1 . 1 66 66 VAL HG13 H 1 0.962 0.00 . 1 . . . . . 702 VAL MG1 . 51075 1 469 . 1 . 1 66 66 VAL HG21 H 1 1.061 0.00 . 1 . . . . . 702 VAL MG2 . 51075 1 470 . 1 . 1 66 66 VAL HG22 H 1 1.061 0.00 . 1 . . . . . 702 VAL MG2 . 51075 1 471 . 1 . 1 66 66 VAL HG23 H 1 1.061 0.00 . 1 . . . . . 702 VAL MG2 . 51075 1 472 . 1 . 1 66 66 VAL CA C 13 63.043 0.00 . 1 . . . . . 702 VAL CA . 51075 1 473 . 1 . 1 66 66 VAL CB C 13 32.585 0.00 . 1 . . . . . 702 VAL CB . 51075 1 474 . 1 . 1 66 66 VAL CG1 C 13 21.260 0.00 . 1 . . . . . 702 VAL CG1 . 51075 1 475 . 1 . 1 66 66 VAL CG2 C 13 21.359 0.00 . 1 . . . . . 702 VAL CG2 . 51075 1 476 . 1 . 1 66 66 VAL N N 15 129.059 0.00 . 1 . . . . . 702 VAL N . 51075 1 477 . 1 . 1 67 67 VAL H H 1 8.030 0.00 . 1 . . . . . 703 VAL H . 51075 1 478 . 1 . 1 67 67 VAL HA H 1 4.215 0.00 . 1 . . . . . 703 VAL HA . 51075 1 479 . 1 . 1 67 67 VAL HB H 1 1.926 0.00 . 1 . . . . . 703 VAL HB . 51075 1 480 . 1 . 1 67 67 VAL HG11 H 1 1.125 0.00 . 1 . . . . . 703 VAL MG1 . 51075 1 481 . 1 . 1 67 67 VAL HG12 H 1 1.125 0.00 . 1 . . . . . 703 VAL MG1 . 51075 1 482 . 1 . 1 67 67 VAL HG13 H 1 1.125 0.00 . 1 . . . . . 703 VAL MG1 . 51075 1 483 . 1 . 1 67 67 VAL HG21 H 1 1.128 0.00 . 1 . . . . . 703 VAL MG2 . 51075 1 484 . 1 . 1 67 67 VAL HG22 H 1 1.128 0.00 . 1 . . . . . 703 VAL MG2 . 51075 1 485 . 1 . 1 67 67 VAL HG23 H 1 1.128 0.00 . 1 . . . . . 703 VAL MG2 . 51075 1 486 . 1 . 1 67 67 VAL CA C 13 61.363 0.00 . 1 . . . . . 703 VAL CA . 51075 1 487 . 1 . 1 67 67 VAL CB C 13 33.687 0.00 . 1 . . . . . 703 VAL CB . 51075 1 488 . 1 . 1 67 67 VAL CG1 C 13 21.681 0.00 . 1 . . . . . 703 VAL CG1 . 51075 1 489 . 1 . 1 67 67 VAL CG2 C 13 21.424 0.00 . 1 . . . . . 703 VAL CG2 . 51075 1 490 . 1 . 1 67 67 VAL N N 15 128.884 0.00 . 1 . . . . . 703 VAL N . 51075 1 491 . 1 . 1 68 68 ASP H H 1 8.910 0.00 . 1 . . . . . 704 ASP H . 51075 1 492 . 1 . 1 68 68 ASP HA H 1 4.837 0.00 . 1 . . . . . 704 ASP HA . 51075 1 493 . 1 . 1 68 68 ASP HB2 H 1 2.688 0.00 . 2 . . . . . 704 ASP HB2 . 51075 1 494 . 1 . 1 68 68 ASP HB3 H 1 2.620 0.00 . 2 . . . . . 704 ASP HB3 . 51075 1 495 . 1 . 1 68 68 ASP CA C 13 53.611 0.00 . 1 . . . . . 704 ASP CA . 51075 1 496 . 1 . 1 68 68 ASP CB C 13 41.337 0.00 . 1 . . . . . 704 ASP CB . 51075 1 497 . 1 . 1 68 68 ASP N N 15 127.669 0.00 . 1 . . . . . 704 ASP N . 51075 1 498 . 1 . 1 69 69 ALA H H 1 8.722 0.00 . 1 . . . . . 705 ALA H . 51075 1 499 . 1 . 1 69 69 ALA HA H 1 4.637 0.00 . 1 . . . . . 705 ALA HA . 51075 1 500 . 1 . 1 69 69 ALA HB1 H 1 1.126 0.00 . 1 . . . . . 705 ALA HB . 51075 1 501 . 1 . 1 69 69 ALA HB2 H 1 1.126 0.00 . 1 . . . . . 705 ALA HB . 51075 1 502 . 1 . 1 69 69 ALA HB3 H 1 1.126 0.00 . 1 . . . . . 705 ALA HB . 51075 1 503 . 1 . 1 69 69 ALA CA C 13 51.051 0.00 . 1 . . . . . 705 ALA CA . 51075 1 504 . 1 . 1 69 69 ALA CB C 13 20.339 0.00 . 1 . . . . . 705 ALA CB . 51075 1 505 . 1 . 1 69 69 ALA N N 15 127.698 0.00 . 1 . . . . . 705 ALA N . 51075 1 506 . 1 . 1 70 70 LYS H H 1 8.821 0.00 . 1 . . . . . 706 LYS H . 51075 1 507 . 1 . 1 70 70 LYS HA H 1 4.589 0.00 . 1 . . . . . 706 LYS HA . 51075 1 508 . 1 . 1 70 70 LYS HB2 H 1 1.775 0.00 . 2 . . . . . 706 LYS HB2 . 51075 1 509 . 1 . 1 70 70 LYS HG2 H 1 1.395 0.00 . 2 . . . . . 706 LYS HG2 . 51075 1 510 . 1 . 1 70 70 LYS HG3 H 1 1.327 0.00 . 2 . . . . . 706 LYS HG3 . 51075 1 511 . 1 . 1 70 70 LYS HD2 H 1 1.632 0.00 . 2 . . . . . 706 LYS HD2 . 51075 1 512 . 1 . 1 70 70 LYS CA C 13 55.585 0.00 . 1 . . . . . 706 LYS CA . 51075 1 513 . 1 . 1 70 70 LYS CB C 13 33.150 0.00 . 1 . . . . . 706 LYS CB . 51075 1 514 . 1 . 1 70 70 LYS CG C 13 24.769 0.04 . 1 . . . . . 706 LYS CG . 51075 1 515 . 1 . 1 70 70 LYS CD C 13 28.917 0.00 . 1 . . . . . 706 LYS CD . 51075 1 516 . 1 . 1 70 70 LYS N N 15 123.239 0.00 . 1 . . . . . 706 LYS N . 51075 1 517 . 1 . 1 71 71 VAL H H 1 8.853 0.00 . 1 . . . . . 707 VAL H . 51075 1 518 . 1 . 1 71 71 VAL HA H 1 4.863 0.00 . 1 . . . . . 707 VAL HA . 51075 1 519 . 1 . 1 71 71 VAL HB H 1 2.068 0.00 . 1 . . . . . 707 VAL HB . 51075 1 520 . 1 . 1 71 71 VAL HG11 H 1 0.855 0.00 . 1 . . . . . 707 VAL MG1 . 51075 1 521 . 1 . 1 71 71 VAL HG12 H 1 0.855 0.00 . 1 . . . . . 707 VAL MG1 . 51075 1 522 . 1 . 1 71 71 VAL HG13 H 1 0.855 0.00 . 1 . . . . . 707 VAL MG1 . 51075 1 523 . 1 . 1 71 71 VAL HG21 H 1 0.838 0.00 . 1 . . . . . 707 VAL MG2 . 51075 1 524 . 1 . 1 71 71 VAL HG22 H 1 0.838 0.00 . 1 . . . . . 707 VAL MG2 . 51075 1 525 . 1 . 1 71 71 VAL HG23 H 1 0.838 0.00 . 1 . . . . . 707 VAL MG2 . 51075 1 526 . 1 . 1 71 71 VAL CA C 13 61.419 0.00 . 1 . . . . . 707 VAL CA . 51075 1 527 . 1 . 1 71 71 VAL CB C 13 33.295 0.00 . 1 . . . . . 707 VAL CB . 51075 1 528 . 1 . 1 71 71 VAL CG1 C 13 21.076 0.00 . 1 . . . . . 707 VAL CG1 . 51075 1 529 . 1 . 1 71 71 VAL CG2 C 13 21.578 0.00 . 1 . . . . . 707 VAL CG2 . 51075 1 530 . 1 . 1 71 71 VAL N N 15 128.987 0.00 . 1 . . . . . 707 VAL N . 51075 1 531 . 1 . 1 72 72 THR H H 1 9.886 0.00 . 1 . . . . . 708 THR H . 51075 1 532 . 1 . 1 72 72 THR HA H 1 4.417 0.00 . 1 . . . . . 708 THR HA . 51075 1 533 . 1 . 1 72 72 THR HB H 1 3.887 0.00 . 1 . . . . . 708 THR HB . 51075 1 534 . 1 . 1 72 72 THR HG21 H 1 1.035 0.00 . 1 . . . . . 708 THR HG2 . 51075 1 535 . 1 . 1 72 72 THR HG22 H 1 1.035 0.00 . 1 . . . . . 708 THR HG2 . 51075 1 536 . 1 . 1 72 72 THR HG23 H 1 1.035 0.00 . 1 . . . . . 708 THR HG2 . 51075 1 537 . 1 . 1 72 72 THR CA C 13 61.716 0.00 . 1 . . . . . 708 THR CA . 51075 1 538 . 1 . 1 72 72 THR CB C 13 70.725 0.00 . 1 . . . . . 708 THR CB . 51075 1 539 . 1 . 1 72 72 THR CG2 C 13 20.982 0.00 . 1 . . . . . 708 THR CG2 . 51075 1 540 . 1 . 1 72 72 THR N N 15 126.450 0.00 . 1 . . . . . 708 THR N . 51075 1 541 . 1 . 1 73 73 ASP H H 1 8.832 0.00 . 1 . . . . . 709 ASP H . 51075 1 542 . 1 . 1 73 73 ASP HA H 1 4.273 0.00 . 1 . . . . . 709 ASP HA . 51075 1 543 . 1 . 1 73 73 ASP HB2 H 1 3.045 0.00 . 2 . . . . . 709 ASP HB2 . 51075 1 544 . 1 . 1 73 73 ASP HB3 H 1 2.775 0.00 . 2 . . . . . 709 ASP HB3 . 51075 1 545 . 1 . 1 73 73 ASP CA C 13 53.497 0.00 . 1 . . . . . 709 ASP CA . 51075 1 546 . 1 . 1 73 73 ASP CB C 13 41.032 0.00 . 1 . . . . . 709 ASP CB . 51075 1 547 . 1 . 1 73 73 ASP N N 15 126.757 0.00 . 1 . . . . . 709 ASP N . 51075 1 548 . 1 . 1 74 74 ASN H H 1 7.431 0.00 . 1 . . . . . 710 ASN H . 51075 1 549 . 1 . 1 74 74 ASN HA H 1 4.518 0.00 . 1 . . . . . 710 ASN HA . 51075 1 550 . 1 . 1 74 74 ASN HB2 H 1 2.791 0.00 . 2 . . . . . 710 ASN HB2 . 51075 1 551 . 1 . 1 74 74 ASN HB3 H 1 2.622 0.00 . 2 . . . . . 710 ASN HB3 . 51075 1 552 . 1 . 1 74 74 ASN CA C 13 54.211 0.00 . 1 . . . . . 710 ASN CA . 51075 1 553 . 1 . 1 74 74 ASN CB C 13 37.565 0.00 . 1 . . . . . 710 ASN CB . 51075 1 554 . 1 . 1 74 74 ASN N N 15 124.974 0.00 . 1 . . . . . 710 ASN N . 51075 1 555 . 1 . 1 75 75 ASN H H 1 9.459 0.00 . 1 . . . . . 711 ASN H . 51075 1 556 . 1 . 1 75 75 ASN HA H 1 4.041 0.00 . 1 . . . . . 711 ASN HA . 51075 1 557 . 1 . 1 75 75 ASN HB2 H 1 3.082 0.00 . 2 . . . . . 711 ASN HB2 . 51075 1 558 . 1 . 1 75 75 ASN HB3 H 1 2.693 0.00 . 2 . . . . . 711 ASN HB3 . 51075 1 559 . 1 . 1 75 75 ASN CA C 13 54.477 0.00 . 1 . . . . . 711 ASN CA . 51075 1 560 . 1 . 1 75 75 ASN CB C 13 37.161 0.00 . 1 . . . . . 711 ASN CB . 51075 1 561 . 1 . 1 75 75 ASN N N 15 117.141 0.00 . 1 . . . . . 711 ASN N . 51075 1 562 . 1 . 1 76 76 ASP H H 1 7.775 0.00 . 1 . . . . . 712 ASP H . 51075 1 563 . 1 . 1 76 76 ASP HA H 1 4.602 0.00 . 1 . . . . . 712 ASP HA . 51075 1 564 . 1 . 1 76 76 ASP HB2 H 1 2.941 0.00 . 2 . . . . . 712 ASP HB2 . 51075 1 565 . 1 . 1 76 76 ASP HB3 H 1 2.304 0.00 . 2 . . . . . 712 ASP HB3 . 51075 1 566 . 1 . 1 76 76 ASP CA C 13 52.780 0.00 . 1 . . . . . 712 ASP CA . 51075 1 567 . 1 . 1 76 76 ASP CB C 13 41.194 0.00 . 1 . . . . . 712 ASP CB . 51075 1 568 . 1 . 1 76 76 ASP N N 15 116.092 0.00 . 1 . . . . . 712 ASP N . 51075 1 569 . 1 . 1 77 77 GLY H H 1 8.135 0.00 . 1 . . . . . 713 GLY H . 51075 1 570 . 1 . 1 77 77 GLY HA2 H 1 4.448 0.00 . 2 . . . . . 713 GLY HA2 . 51075 1 571 . 1 . 1 77 77 GLY HA3 H 1 3.523 0.00 . 2 . . . . . 713 GLY HA3 . 51075 1 572 . 1 . 1 77 77 GLY CA C 13 45.264 0.00 . 1 . . . . . 713 GLY CA . 51075 1 573 . 1 . 1 77 77 GLY N N 15 109.912 0.00 . 1 . . . . . 713 GLY N . 51075 1 574 . 1 . 1 78 78 THR H H 1 7.973 0.00 . 1 . . . . . 714 THR H . 51075 1 575 . 1 . 1 78 78 THR HA H 1 5.571 0.00 . 1 . . . . . 714 THR HA . 51075 1 576 . 1 . 1 78 78 THR HB H 1 3.502 0.00 . 1 . . . . . 714 THR HB . 51075 1 577 . 1 . 1 78 78 THR HG21 H 1 0.926 0.00 . 1 . . . . . 714 THR HG2 . 51075 1 578 . 1 . 1 78 78 THR HG22 H 1 0.926 0.00 . 1 . . . . . 714 THR HG2 . 51075 1 579 . 1 . 1 78 78 THR HG23 H 1 0.926 0.00 . 1 . . . . . 714 THR HG2 . 51075 1 580 . 1 . 1 78 78 THR CA C 13 59.493 0.00 . 1 . . . . . 714 THR CA . 51075 1 581 . 1 . 1 78 78 THR CB C 13 72.934 0.00 . 1 . . . . . 714 THR CB . 51075 1 582 . 1 . 1 78 78 THR CG2 C 13 22.230 0.00 . 1 . . . . . 714 THR CG2 . 51075 1 583 . 1 . 1 78 78 THR N N 15 108.659 0.00 . 1 . . . . . 714 THR N . 51075 1 584 . 1 . 1 79 79 TYR H H 1 8.656 0.00 . 1 . . . . . 715 TYR H . 51075 1 585 . 1 . 1 79 79 TYR HA H 1 5.037 0.00 . 1 . . . . . 715 TYR HA . 51075 1 586 . 1 . 1 79 79 TYR CA C 13 56.231 0.00 . 1 . . . . . 715 TYR CA . 51075 1 587 . 1 . 1 79 79 TYR N N 15 120.079 0.00 . 1 . . . . . 715 TYR N . 51075 1 588 . 1 . 1 80 80 GLY H H 1 9.141 0.00 . 1 . . . . . 716 GLY H . 51075 1 589 . 1 . 1 80 80 GLY HA2 H 1 4.395 0.00 . 2 . . . . . 716 GLY HA2 . 51075 1 590 . 1 . 1 80 80 GLY HA3 H 1 3.731 0.00 . 2 . . . . . 716 GLY HA3 . 51075 1 591 . 1 . 1 80 80 GLY CA C 13 45.592 0.00 . 1 . . . . . 716 GLY CA . 51075 1 592 . 1 . 1 80 80 GLY N N 15 112.371 0.00 . 1 . . . . . 716 GLY N . 51075 1 593 . 1 . 1 81 81 VAL H H 1 8.732 0.00 . 1 . . . . . 717 VAL H . 51075 1 594 . 1 . 1 81 81 VAL HA H 1 4.872 0.00 . 1 . . . . . 717 VAL HA . 51075 1 595 . 1 . 1 81 81 VAL HB H 1 0.127 0.00 . 1 . . . . . 717 VAL HB . 51075 1 596 . 1 . 1 81 81 VAL HG11 H 1 0.444 0.00 . 1 . . . . . 717 VAL MG1 . 51075 1 597 . 1 . 1 81 81 VAL HG12 H 1 0.444 0.00 . 1 . . . . . 717 VAL MG1 . 51075 1 598 . 1 . 1 81 81 VAL HG13 H 1 0.444 0.00 . 1 . . . . . 717 VAL MG1 . 51075 1 599 . 1 . 1 81 81 VAL HG21 H 1 0.379 0.00 . 1 . . . . . 717 VAL MG2 . 51075 1 600 . 1 . 1 81 81 VAL HG22 H 1 0.379 0.00 . 1 . . . . . 717 VAL MG2 . 51075 1 601 . 1 . 1 81 81 VAL HG23 H 1 0.379 0.00 . 1 . . . . . 717 VAL MG2 . 51075 1 602 . 1 . 1 81 81 VAL CA C 13 60.907 0.00 . 1 . . . . . 717 VAL CA . 51075 1 603 . 1 . 1 81 81 VAL CB C 13 32.912 0.00 . 1 . . . . . 717 VAL CB . 51075 1 604 . 1 . 1 81 81 VAL CG1 C 13 23.269 0.00 . 1 . . . . . 717 VAL CG1 . 51075 1 605 . 1 . 1 81 81 VAL CG2 C 13 22.090 0.00 . 1 . . . . . 717 VAL CG2 . 51075 1 606 . 1 . 1 81 81 VAL N N 15 123.983 0.00 . 1 . . . . . 717 VAL N . 51075 1 607 . 1 . 1 82 82 VAL H H 1 8.347 0.00 . 1 . . . . . 718 VAL H . 51075 1 608 . 1 . 1 82 82 VAL HA H 1 5.345 0.00 . 1 . . . . . 718 VAL HA . 51075 1 609 . 1 . 1 82 82 VAL HB H 1 1.805 0.00 . 1 . . . . . 718 VAL HB . 51075 1 610 . 1 . 1 82 82 VAL HG11 H 1 0.880 0.00 . 1 . . . . . 718 VAL MG1 . 51075 1 611 . 1 . 1 82 82 VAL HG12 H 1 0.880 0.00 . 1 . . . . . 718 VAL MG1 . 51075 1 612 . 1 . 1 82 82 VAL HG13 H 1 0.880 0.00 . 1 . . . . . 718 VAL MG1 . 51075 1 613 . 1 . 1 82 82 VAL HG21 H 1 0.889 0.00 . 1 . . . . . 718 VAL MG2 . 51075 1 614 . 1 . 1 82 82 VAL HG22 H 1 0.889 0.00 . 1 . . . . . 718 VAL MG2 . 51075 1 615 . 1 . 1 82 82 VAL HG23 H 1 0.889 0.00 . 1 . . . . . 718 VAL MG2 . 51075 1 616 . 1 . 1 82 82 VAL CA C 13 59.993 0.00 . 1 . . . . . 718 VAL CA . 51075 1 617 . 1 . 1 82 82 VAL CB C 13 35.483 0.00 . 1 . . . . . 718 VAL CB . 51075 1 618 . 1 . 1 82 82 VAL CG1 C 13 21.256 0.00 . 1 . . . . . 718 VAL CG1 . 51075 1 619 . 1 . 1 82 82 VAL CG2 C 13 21.667 0.00 . 1 . . . . . 718 VAL CG2 . 51075 1 620 . 1 . 1 82 82 VAL N N 15 126.331 0.00 . 1 . . . . . 718 VAL N . 51075 1 621 . 1 . 1 83 83 TYR H H 1 9.318 0.00 . 1 . . . . . 719 TYR H . 51075 1 622 . 1 . 1 83 83 TYR HA H 1 5.043 0.00 . 1 . . . . . 719 TYR HA . 51075 1 623 . 1 . 1 83 83 TYR CA C 13 56.014 0.00 . 1 . . . . . 719 TYR CA . 51075 1 624 . 1 . 1 83 83 TYR N N 15 124.137 0.00 . 1 . . . . . 719 TYR N . 51075 1 625 . 1 . 1 84 84 ASP H H 1 8.192 0.00 . 1 . . . . . 720 ASP H . 51075 1 626 . 1 . 1 84 84 ASP HA H 1 4.678 0.00 . 1 . . . . . 720 ASP HA . 51075 1 627 . 1 . 1 84 84 ASP HB2 H 1 2.465 0.00 . 2 . . . . . 720 ASP HB2 . 51075 1 628 . 1 . 1 84 84 ASP HB3 H 1 2.392 0.00 . 2 . . . . . 720 ASP HB3 . 51075 1 629 . 1 . 1 84 84 ASP CA C 13 53.540 0.00 . 1 . . . . . 720 ASP CA . 51075 1 630 . 1 . 1 84 84 ASP CB C 13 43.258 0.00 . 1 . . . . . 720 ASP CB . 51075 1 631 . 1 . 1 84 84 ASP N N 15 119.291 0.00 . 1 . . . . . 720 ASP N . 51075 1 632 . 1 . 1 85 85 ALA H H 1 8.738 0.00 . 1 . . . . . 721 ALA H . 51075 1 633 . 1 . 1 85 85 ALA HA H 1 3.763 0.00 . 1 . . . . . 721 ALA HA . 51075 1 634 . 1 . 1 85 85 ALA CA C 13 50.685 0.00 . 1 . . . . . 721 ALA CA . 51075 1 635 . 1 . 1 85 85 ALA N N 15 127.427 0.00 . 1 . . . . . 721 ALA N . 51075 1 636 . 1 . 1 86 86 PRO HA H 1 4.562 0.00 . 1 . . . . . 722 PRO HA . 51075 1 637 . 1 . 1 86 86 PRO HB2 H 1 2.273 0.00 . 2 . . . . . 722 PRO HB2 . 51075 1 638 . 1 . 1 86 86 PRO HB3 H 1 2.098 0.00 . 2 . . . . . 722 PRO HB3 . 51075 1 639 . 1 . 1 86 86 PRO HG2 H 1 1.951 0.00 . 2 . . . . . 722 PRO HG2 . 51075 1 640 . 1 . 1 86 86 PRO HG3 H 1 2.053 0.00 . 2 . . . . . 722 PRO HG3 . 51075 1 641 . 1 . 1 86 86 PRO HD2 H 1 3.684 0.00 . 2 . . . . . 722 PRO HD2 . 51075 1 642 . 1 . 1 86 86 PRO HD3 H 1 3.859 0.00 . 2 . . . . . 722 PRO HD3 . 51075 1 643 . 1 . 1 86 86 PRO CA C 13 64.293 0.00 . 1 . . . . . 722 PRO CA . 51075 1 644 . 1 . 1 86 86 PRO CB C 13 32.525 0.00 . 1 . . . . . 722 PRO CB . 51075 1 645 . 1 . 1 86 86 PRO CG C 13 27.158 0.00 . 1 . . . . . 722 PRO CG . 51075 1 646 . 1 . 1 86 86 PRO CD C 13 50.009 0.00 . 1 . . . . . 722 PRO CD . 51075 1 647 . 1 . 1 87 87 VAL H H 1 6.848 0.00 . 1 . . . . . 723 VAL H . 51075 1 648 . 1 . 1 87 87 VAL HA H 1 4.627 0.00 . 1 . . . . . 723 VAL HA . 51075 1 649 . 1 . 1 87 87 VAL HB H 1 1.979 0.00 . 1 . . . . . 723 VAL HB . 51075 1 650 . 1 . 1 87 87 VAL HG11 H 1 0.983 0.00 . 1 . . . . . 723 VAL MG1 . 51075 1 651 . 1 . 1 87 87 VAL HG12 H 1 0.983 0.00 . 1 . . . . . 723 VAL MG1 . 51075 1 652 . 1 . 1 87 87 VAL HG13 H 1 0.983 0.00 . 1 . . . . . 723 VAL MG1 . 51075 1 653 . 1 . 1 87 87 VAL HG21 H 1 0.948 0.00 . 1 . . . . . 723 VAL MG2 . 51075 1 654 . 1 . 1 87 87 VAL HG22 H 1 0.948 0.00 . 1 . . . . . 723 VAL MG2 . 51075 1 655 . 1 . 1 87 87 VAL HG23 H 1 0.948 0.00 . 1 . . . . . 723 VAL MG2 . 51075 1 656 . 1 . 1 87 87 VAL CA C 13 59.457 0.00 . 1 . . . . . 723 VAL CA . 51075 1 657 . 1 . 1 87 87 VAL CB C 13 35.627 0.00 . 1 . . . . . 723 VAL CB . 51075 1 658 . 1 . 1 87 87 VAL CG1 C 13 20.620 0.00 . 1 . . . . . 723 VAL CG1 . 51075 1 659 . 1 . 1 87 87 VAL CG2 C 13 20.131 0.00 . 1 . . . . . 723 VAL CG2 . 51075 1 660 . 1 . 1 87 87 VAL N N 15 113.779 0.00 . 1 . . . . . 723 VAL N . 51075 1 661 . 1 . 1 88 88 GLU H H 1 9.091 0.00 . 1 . . . . . 724 GLU H . 51075 1 662 . 1 . 1 88 88 GLU HA H 1 4.157 0.00 . 1 . . . . . 724 GLU HA . 51075 1 663 . 1 . 1 88 88 GLU CA C 13 57.420 0.00 . 1 . . . . . 724 GLU CA . 51075 1 664 . 1 . 1 88 88 GLU N N 15 126.498 0.00 . 1 . . . . . 724 GLU N . 51075 1 665 . 1 . 1 89 89 GLY H H 1 8.291 0.00 . 1 . . . . . 725 GLY H . 51075 1 666 . 1 . 1 89 89 GLY HA2 H 1 4.541 0.00 . 2 . . . . . 725 GLY HA2 . 51075 1 667 . 1 . 1 89 89 GLY HA3 H 1 3.776 0.00 . 2 . . . . . 725 GLY HA3 . 51075 1 668 . 1 . 1 89 89 GLY CA C 13 43.767 0.00 . 1 . . . . . 725 GLY CA . 51075 1 669 . 1 . 1 89 89 GLY N N 15 107.280 0.00 . 1 . . . . . 725 GLY N . 51075 1 670 . 1 . 1 90 90 ASN H H 1 8.508 0.00 . 1 . . . . . 726 ASN H . 51075 1 671 . 1 . 1 90 90 ASN HA H 1 5.072 0.00 . 1 . . . . . 726 ASN HA . 51075 1 672 . 1 . 1 90 90 ASN HB2 H 1 2.606 0.00 . 2 . . . . . 726 ASN HB2 . 51075 1 673 . 1 . 1 90 90 ASN HB3 H 1 2.394 0.00 . 2 . . . . . 726 ASN HB3 . 51075 1 674 . 1 . 1 90 90 ASN CA C 13 54.303 0.00 . 1 . . . . . 726 ASN CA . 51075 1 675 . 1 . 1 90 90 ASN CB C 13 40.964 0.00 . 1 . . . . . 726 ASN CB . 51075 1 676 . 1 . 1 90 90 ASN N N 15 119.500 0.00 . 1 . . . . . 726 ASN N . 51075 1 677 . 1 . 1 91 91 TYR H H 1 9.530 0.00 . 1 . . . . . 727 TYR H . 51075 1 678 . 1 . 1 91 91 TYR HA H 1 4.722 0.00 . 1 . . . . . 727 TYR HA . 51075 1 679 . 1 . 1 91 91 TYR HB2 H 1 2.991 0.00 . 2 . . . . . 727 TYR HB2 . 51075 1 680 . 1 . 1 91 91 TYR HB3 H 1 2.259 0.00 . 2 . . . . . 727 TYR HB3 . 51075 1 681 . 1 . 1 91 91 TYR CA C 13 57.052 0.00 . 1 . . . . . 727 TYR CA . 51075 1 682 . 1 . 1 91 91 TYR CB C 13 39.405 0.00 . 1 . . . . . 727 TYR CB . 51075 1 683 . 1 . 1 91 91 TYR N N 15 124.822 0.00 . 1 . . . . . 727 TYR N . 51075 1 684 . 1 . 1 92 92 ASN H H 1 8.935 0.00 . 1 . . . . . 728 ASN H . 51075 1 685 . 1 . 1 92 92 ASN HA H 1 5.343 0.00 . 1 . . . . . 728 ASN HA . 51075 1 686 . 1 . 1 92 92 ASN HB2 H 1 2.651 0.00 . 2 . . . . . 728 ASN HB2 . 51075 1 687 . 1 . 1 92 92 ASN HB3 H 1 2.620 0.00 . 2 . . . . . 728 ASN HB3 . 51075 1 688 . 1 . 1 92 92 ASN CA C 13 53.258 0.00 . 1 . . . . . 728 ASN CA . 51075 1 689 . 1 . 1 92 92 ASN CB C 13 42.199 0.00 . 1 . . . . . 728 ASN CB . 51075 1 690 . 1 . 1 92 92 ASN N N 15 122.884 0.00 . 1 . . . . . 728 ASN N . 51075 1 691 . 1 . 1 93 93 VAL H H 1 9.439 0.00 . 1 . . . . . 729 VAL H . 51075 1 692 . 1 . 1 93 93 VAL HA H 1 4.207 0.00 . 1 . . . . . 729 VAL HA . 51075 1 693 . 1 . 1 93 93 VAL HB H 1 1.847 0.00 . 1 . . . . . 729 VAL HB . 51075 1 694 . 1 . 1 93 93 VAL HG11 H 1 0.466 0.00 . 1 . . . . . 729 VAL MG1 . 51075 1 695 . 1 . 1 93 93 VAL HG12 H 1 0.466 0.00 . 1 . . . . . 729 VAL MG1 . 51075 1 696 . 1 . 1 93 93 VAL HG13 H 1 0.466 0.00 . 1 . . . . . 729 VAL MG1 . 51075 1 697 . 1 . 1 93 93 VAL HG21 H 1 0.616 0.00 . 1 . . . . . 729 VAL MG2 . 51075 1 698 . 1 . 1 93 93 VAL HG22 H 1 0.616 0.00 . 1 . . . . . 729 VAL MG2 . 51075 1 699 . 1 . 1 93 93 VAL HG23 H 1 0.616 0.00 . 1 . . . . . 729 VAL MG2 . 51075 1 700 . 1 . 1 93 93 VAL CA C 13 61.868 0.00 . 1 . . . . . 729 VAL CA . 51075 1 701 . 1 . 1 93 93 VAL CB C 13 32.970 0.00 . 1 . . . . . 729 VAL CB . 51075 1 702 . 1 . 1 93 93 VAL CG1 C 13 20.786 0.00 . 1 . . . . . 729 VAL CG1 . 51075 1 703 . 1 . 1 93 93 VAL CG2 C 13 20.125 0.00 . 1 . . . . . 729 VAL CG2 . 51075 1 704 . 1 . 1 93 93 VAL N N 15 128.717 0.00 . 1 . . . . . 729 VAL N . 51075 1 705 . 1 . 1 94 94 ASN H H 1 8.878 0.00 . 1 . . . . . 730 ASN H . 51075 1 706 . 1 . 1 94 94 ASN HA H 1 5.241 0.00 . 1 . . . . . 730 ASN HA . 51075 1 707 . 1 . 1 94 94 ASN HB2 H 1 2.908 0.00 . 2 . . . . . 730 ASN HB2 . 51075 1 708 . 1 . 1 94 94 ASN HB3 H 1 2.479 0.00 . 2 . . . . . 730 ASN HB3 . 51075 1 709 . 1 . 1 94 94 ASN CA C 13 51.801 0.00 . 1 . . . . . 730 ASN CA . 51075 1 710 . 1 . 1 94 94 ASN CB C 13 41.522 0.00 . 1 . . . . . 730 ASN CB . 51075 1 711 . 1 . 1 94 94 ASN N N 15 123.407 0.00 . 1 . . . . . 730 ASN N . 51075 1 712 . 1 . 1 95 95 VAL H H 1 7.534 0.00 . 1 . . . . . 731 VAL H . 51075 1 713 . 1 . 1 95 95 VAL HA H 1 5.081 0.00 . 1 . . . . . 731 VAL HA . 51075 1 714 . 1 . 1 95 95 VAL HB H 1 1.924 0.00 . 1 . . . . . 731 VAL HB . 51075 1 715 . 1 . 1 95 95 VAL HG11 H 1 0.982 0.00 . 1 . . . . . 731 VAL MG1 . 51075 1 716 . 1 . 1 95 95 VAL HG12 H 1 0.982 0.00 . 1 . . . . . 731 VAL MG1 . 51075 1 717 . 1 . 1 95 95 VAL HG13 H 1 0.982 0.00 . 1 . . . . . 731 VAL MG1 . 51075 1 718 . 1 . 1 95 95 VAL HG21 H 1 1.047 0.00 . 1 . . . . . 731 VAL MG2 . 51075 1 719 . 1 . 1 95 95 VAL HG22 H 1 1.047 0.00 . 1 . . . . . 731 VAL MG2 . 51075 1 720 . 1 . 1 95 95 VAL HG23 H 1 1.047 0.00 . 1 . . . . . 731 VAL MG2 . 51075 1 721 . 1 . 1 95 95 VAL CA C 13 61.054 0.00 . 1 . . . . . 731 VAL CA . 51075 1 722 . 1 . 1 95 95 VAL CB C 13 32.894 0.00 . 1 . . . . . 731 VAL CB . 51075 1 723 . 1 . 1 95 95 VAL CG1 C 13 22.287 0.00 . 1 . . . . . 731 VAL CG1 . 51075 1 724 . 1 . 1 95 95 VAL CG2 C 13 21.372 0.00 . 1 . . . . . 731 VAL CG2 . 51075 1 725 . 1 . 1 95 95 VAL N N 15 127.793 0.00 . 1 . . . . . 731 VAL N . 51075 1 726 . 1 . 1 96 96 THR H H 1 9.186 0.00 . 1 . . . . . 732 THR H . 51075 1 727 . 1 . 1 96 96 THR HA H 1 5.087 0.00 . 1 . . . . . 732 THR HA . 51075 1 728 . 1 . 1 96 96 THR HB H 1 3.462 0.00 . 1 . . . . . 732 THR HB . 51075 1 729 . 1 . 1 96 96 THR HG21 H 1 0.729 0.00 . 1 . . . . . 732 THR HG2 . 51075 1 730 . 1 . 1 96 96 THR HG22 H 1 0.729 0.00 . 1 . . . . . 732 THR HG2 . 51075 1 731 . 1 . 1 96 96 THR HG23 H 1 0.729 0.00 . 1 . . . . . 732 THR HG2 . 51075 1 732 . 1 . 1 96 96 THR CA C 13 58.757 0.00 . 1 . . . . . 732 THR CA . 51075 1 733 . 1 . 1 96 96 THR CB C 13 73.198 0.00 . 1 . . . . . 732 THR CB . 51075 1 734 . 1 . 1 96 96 THR CG2 C 13 20.863 0.00 . 1 . . . . . 732 THR CG2 . 51075 1 735 . 1 . 1 96 96 THR N N 15 115.980 0.00 . 1 . . . . . 732 THR N . 51075 1 736 . 1 . 1 97 97 LEU H H 1 8.691 0.00 . 1 . . . . . 733 LEU H . 51075 1 737 . 1 . 1 97 97 LEU HA H 1 4.356 0.00 . 1 . . . . . 733 LEU HA . 51075 1 738 . 1 . 1 97 97 LEU HB2 H 1 0.959 0.00 . 1 . . . . . 733 LEU HB2 . 51075 1 739 . 1 . 1 97 97 LEU HB3 H 1 1.503 0.00 . 1 . . . . . 733 LEU HB3 . 51075 1 740 . 1 . 1 97 97 LEU HG H 1 1.009 0.00 . 1 . . . . . 733 LEU HG . 51075 1 741 . 1 . 1 97 97 LEU HD11 H 1 -0.175 0.00 . 1 . . . . . 733 LEU MD1 . 51075 1 742 . 1 . 1 97 97 LEU HD12 H 1 -0.175 0.00 . 1 . . . . . 733 LEU MD1 . 51075 1 743 . 1 . 1 97 97 LEU HD13 H 1 -0.175 0.00 . 1 . . . . . 733 LEU MD1 . 51075 1 744 . 1 . 1 97 97 LEU HD21 H 1 0.363 0.00 . 1 . . . . . 733 LEU MD2 . 51075 1 745 . 1 . 1 97 97 LEU HD22 H 1 0.363 0.00 . 1 . . . . . 733 LEU MD2 . 51075 1 746 . 1 . 1 97 97 LEU HD23 H 1 0.363 0.00 . 1 . . . . . 733 LEU MD2 . 51075 1 747 . 1 . 1 97 97 LEU CA C 13 53.568 0.00 . 1 . . . . . 733 LEU CA . 51075 1 748 . 1 . 1 97 97 LEU CB C 13 44.329 0.00 . 1 . . . . . 733 LEU CB . 51075 1 749 . 1 . 1 97 97 LEU CG C 13 27.135 0.00 . 1 . . . . . 733 LEU CG . 51075 1 750 . 1 . 1 97 97 LEU CD1 C 13 20.652 0.00 . 1 . . . . . 733 LEU CD1 . 51075 1 751 . 1 . 1 97 97 LEU CD2 C 13 24.909 0.00 . 1 . . . . . 733 LEU CD2 . 51075 1 752 . 1 . 1 97 97 LEU N N 15 119.678 0.00 . 1 . . . . . 733 LEU N . 51075 1 753 . 1 . 1 98 98 ARG H H 1 9.367 0.00 . 1 . . . . . 734 ARG H . 51075 1 754 . 1 . 1 98 98 ARG HA H 1 3.861 0.00 . 1 . . . . . 734 ARG HA . 51075 1 755 . 1 . 1 98 98 ARG HG2 H 1 1.535 0.00 . 2 . . . . . 734 ARG HG2 . 51075 1 756 . 1 . 1 98 98 ARG HG3 H 1 1.415 0.00 . 2 . . . . . 734 ARG HG3 . 51075 1 757 . 1 . 1 98 98 ARG HD2 H 1 3.163 0.00 . 2 . . . . . 734 ARG HD2 . 51075 1 758 . 1 . 1 98 98 ARG HD3 H 1 3.207 0.00 . 2 . . . . . 734 ARG HD3 . 51075 1 759 . 1 . 1 98 98 ARG CA C 13 56.911 0.00 . 1 . . . . . 734 ARG CA . 51075 1 760 . 1 . 1 98 98 ARG CG C 13 28.407 0.01 . 1 . . . . . 734 ARG CG . 51075 1 761 . 1 . 1 98 98 ARG CD C 13 43.362 0.00 . 1 . . . . . 734 ARG CD . 51075 1 762 . 1 . 1 98 98 ARG N N 15 128.730 0.00 . 1 . . . . . 734 ARG N . 51075 1 763 . 1 . 1 99 99 GLY H H 1 8.730 0.00 . 1 . . . . . 735 GLY H . 51075 1 764 . 1 . 1 99 99 GLY HA2 H 1 4.199 0.00 . 2 . . . . . 735 GLY HA2 . 51075 1 765 . 1 . 1 99 99 GLY HA3 H 1 3.490 0.00 . 2 . . . . . 735 GLY HA3 . 51075 1 766 . 1 . 1 99 99 GLY CA C 13 44.999 0.00 . 1 . . . . . 735 GLY CA . 51075 1 767 . 1 . 1 99 99 GLY N N 15 102.790 0.00 . 1 . . . . . 735 GLY N . 51075 1 768 . 1 . 1 100 100 ASN H H 1 7.621 0.00 . 1 . . . . . 736 ASN H . 51075 1 769 . 1 . 1 100 100 ASN HA H 1 5.291 0.00 . 1 . . . . . 736 ASN HA . 51075 1 770 . 1 . 1 100 100 ASN HB2 H 1 2.731 0.00 . 2 . . . . . 736 ASN HB2 . 51075 1 771 . 1 . 1 100 100 ASN HB3 H 1 2.593 0.00 . 2 . . . . . 736 ASN HB3 . 51075 1 772 . 1 . 1 100 100 ASN CA C 13 50.236 0.00 . 1 . . . . . 736 ASN CA . 51075 1 773 . 1 . 1 100 100 ASN CB C 13 39.839 0.00 . 1 . . . . . 736 ASN CB . 51075 1 774 . 1 . 1 100 100 ASN N N 15 119.914 0.00 . 1 . . . . . 736 ASN N . 51075 1 775 . 1 . 1 101 101 PRO HA H 1 4.643 0.00 . 1 . . . . . 737 PRO HA . 51075 1 776 . 1 . 1 101 101 PRO HB2 H 1 2.356 0.00 . 2 . . . . . 737 PRO HB2 . 51075 1 777 . 1 . 1 101 101 PRO HB3 H 1 2.152 0.00 . 2 . . . . . 737 PRO HB3 . 51075 1 778 . 1 . 1 101 101 PRO HG2 H 1 1.978 0.00 . 2 . . . . . 737 PRO HG2 . 51075 1 779 . 1 . 1 101 101 PRO HG3 H 1 1.661 0.00 . 2 . . . . . 737 PRO HG3 . 51075 1 780 . 1 . 1 101 101 PRO CA C 13 62.959 0.00 . 1 . . . . . 737 PRO CA . 51075 1 781 . 1 . 1 101 101 PRO CB C 13 32.080 0.00 . 1 . . . . . 737 PRO CB . 51075 1 782 . 1 . 1 101 101 PRO CG C 13 27.712 0.00 . 1 . . . . . 737 PRO CG . 51075 1 783 . 1 . 1 102 102 ILE H H 1 7.639 0.00 . 1 . . . . . 738 ILE H . 51075 1 784 . 1 . 1 102 102 ILE HA H 1 5.146 0.00 . 1 . . . . . 738 ILE HA . 51075 1 785 . 1 . 1 102 102 ILE HB H 1 2.325 0.00 . 1 . . . . . 738 ILE HB . 51075 1 786 . 1 . 1 102 102 ILE HG12 H 1 1.520 0.00 . 1 . . . . . 738 ILE HG12 . 51075 1 787 . 1 . 1 102 102 ILE HG13 H 1 1.161 0.00 . 1 . . . . . 738 ILE HG13 . 51075 1 788 . 1 . 1 102 102 ILE HG21 H 1 1.000 0.00 . 1 . . . . . 738 ILE HG2 . 51075 1 789 . 1 . 1 102 102 ILE HG22 H 1 1.000 0.00 . 1 . . . . . 738 ILE HG2 . 51075 1 790 . 1 . 1 102 102 ILE HG23 H 1 1.000 0.00 . 1 . . . . . 738 ILE HG2 . 51075 1 791 . 1 . 1 102 102 ILE HD11 H 1 0.560 0.00 . 1 . . . . . 738 ILE MD1 . 51075 1 792 . 1 . 1 102 102 ILE HD12 H 1 0.560 0.00 . 1 . . . . . 738 ILE MD1 . 51075 1 793 . 1 . 1 102 102 ILE HD13 H 1 0.560 0.00 . 1 . . . . . 738 ILE MD1 . 51075 1 794 . 1 . 1 102 102 ILE CA C 13 60.119 0.00 . 1 . . . . . 738 ILE CA . 51075 1 795 . 1 . 1 102 102 ILE CB C 13 36.023 0.00 . 1 . . . . . 738 ILE CB . 51075 1 796 . 1 . 1 102 102 ILE CG1 C 13 26.125 0.00 . 1 . . . . . 738 ILE CG1 . 51075 1 797 . 1 . 1 102 102 ILE CG2 C 13 17.680 0.00 . 1 . . . . . 738 ILE CG2 . 51075 1 798 . 1 . 1 102 102 ILE CD1 C 13 14.009 0.00 . 1 . . . . . 738 ILE CD1 . 51075 1 799 . 1 . 1 102 102 ILE N N 15 113.784 0.00 . 1 . . . . . 738 ILE N . 51075 1 800 . 1 . 1 103 103 LYS H H 1 7.656 0.00 . 1 . . . . . 739 LYS H . 51075 1 801 . 1 . 1 103 103 LYS N N 15 119.978 0.00 . 1 . . . . . 739 LYS N . 51075 1 802 . 1 . 1 104 104 ASN H H 1 8.894 0.00 . 1 . . . . . 740 ASN H . 51075 1 803 . 1 . 1 104 104 ASN N N 15 117.211 0.00 . 1 . . . . . 740 ASN N . 51075 1 804 . 1 . 1 105 105 MET H H 1 7.472 0.00 . 1 . . . . . 741 MET H . 51075 1 805 . 1 . 1 105 105 MET HA H 1 4.836 0.00 . 1 . . . . . 741 MET HA . 51075 1 806 . 1 . 1 105 105 MET HB2 H 1 2.060 0.00 . 2 . . . . . 741 MET HB2 . 51075 1 807 . 1 . 1 105 105 MET HB3 H 1 2.261 0.00 . 2 . . . . . 741 MET HB3 . 51075 1 808 . 1 . 1 105 105 MET CA C 13 52.347 0.00 . 1 . . . . . 741 MET CA . 51075 1 809 . 1 . 1 105 105 MET CB C 13 34.096 0.00 . 1 . . . . . 741 MET CB . 51075 1 810 . 1 . 1 105 105 MET N N 15 115.820 0.00 . 1 . . . . . 741 MET N . 51075 1 811 . 1 . 1 106 106 PRO HA H 1 4.936 0.00 . 1 . . . . . 742 PRO HA . 51075 1 812 . 1 . 1 106 106 PRO HG2 H 1 1.834 0.00 . 2 . . . . . 742 PRO HG2 . 51075 1 813 . 1 . 1 106 106 PRO HG3 H 1 1.762 0.00 . 2 . . . . . 742 PRO HG3 . 51075 1 814 . 1 . 1 106 106 PRO CA C 13 62.995 0.00 . 1 . . . . . 742 PRO CA . 51075 1 815 . 1 . 1 106 106 PRO CG C 13 24.244 0.00 . 1 . . . . . 742 PRO CG . 51075 1 816 . 1 . 1 107 107 ILE H H 1 9.036 0.00 . 1 . . . . . 743 ILE H . 51075 1 817 . 1 . 1 107 107 ILE HA H 1 4.554 0.00 . 1 . . . . . 743 ILE HA . 51075 1 818 . 1 . 1 107 107 ILE HB H 1 1.729 0.00 . 1 . . . . . 743 ILE HB . 51075 1 819 . 1 . 1 107 107 ILE HG12 H 1 1.681 0.00 . 1 . . . . . 743 ILE HG12 . 51075 1 820 . 1 . 1 107 107 ILE HG13 H 1 1.223 0.00 . 1 . . . . . 743 ILE HG13 . 51075 1 821 . 1 . 1 107 107 ILE HG21 H 1 0.896 0.00 . 1 . . . . . 743 ILE HG2 . 51075 1 822 . 1 . 1 107 107 ILE HG22 H 1 0.896 0.00 . 1 . . . . . 743 ILE HG2 . 51075 1 823 . 1 . 1 107 107 ILE HG23 H 1 0.896 0.00 . 1 . . . . . 743 ILE HG2 . 51075 1 824 . 1 . 1 107 107 ILE HD11 H 1 0.921 0.00 . 1 . . . . . 743 ILE MD1 . 51075 1 825 . 1 . 1 107 107 ILE HD12 H 1 0.921 0.00 . 1 . . . . . 743 ILE MD1 . 51075 1 826 . 1 . 1 107 107 ILE HD13 H 1 0.921 0.00 . 1 . . . . . 743 ILE MD1 . 51075 1 827 . 1 . 1 107 107 ILE CA C 13 59.944 0.00 . 1 . . . . . 743 ILE CA . 51075 1 828 . 1 . 1 107 107 ILE CB C 13 42.702 0.00 . 1 . . . . . 743 ILE CB . 51075 1 829 . 1 . 1 107 107 ILE CG1 C 13 28.684 0.01 . 1 . . . . . 743 ILE CG1 . 51075 1 830 . 1 . 1 107 107 ILE CG2 C 13 17.588 0.00 . 1 . . . . . 743 ILE CG2 . 51075 1 831 . 1 . 1 107 107 ILE CD1 C 13 14.781 0.00 . 1 . . . . . 743 ILE CD1 . 51075 1 832 . 1 . 1 107 107 ILE N N 15 119.531 0.00 . 1 . . . . . 743 ILE N . 51075 1 833 . 1 . 1 108 108 ASP H H 1 8.134 0.00 . 1 . . . . . 744 ASP H . 51075 1 834 . 1 . 1 108 108 ASP HA H 1 5.561 0.00 . 1 . . . . . 744 ASP HA . 51075 1 835 . 1 . 1 108 108 ASP HB2 H 1 2.929 0.00 . 2 . . . . . 744 ASP HB2 . 51075 1 836 . 1 . 1 108 108 ASP HB3 H 1 2.431 0.00 . 2 . . . . . 744 ASP HB3 . 51075 1 837 . 1 . 1 108 108 ASP CA C 13 54.082 0.00 . 1 . . . . . 744 ASP CA . 51075 1 838 . 1 . 1 108 108 ASP CB C 13 42.799 0.00 . 1 . . . . . 744 ASP CB . 51075 1 839 . 1 . 1 108 108 ASP N N 15 125.503 0.00 . 1 . . . . . 744 ASP N . 51075 1 840 . 1 . 1 109 109 VAL H H 1 9.589 0.00 . 1 . . . . . 745 VAL H . 51075 1 841 . 1 . 1 109 109 VAL HA H 1 4.120 0.00 . 1 . . . . . 745 VAL HA . 51075 1 842 . 1 . 1 109 109 VAL HB H 1 1.849 0.00 . 1 . . . . . 745 VAL HB . 51075 1 843 . 1 . 1 109 109 VAL HG11 H 1 0.705 0.00 . 1 . . . . . 745 VAL MG1 . 51075 1 844 . 1 . 1 109 109 VAL HG12 H 1 0.705 0.00 . 1 . . . . . 745 VAL MG1 . 51075 1 845 . 1 . 1 109 109 VAL HG13 H 1 0.705 0.00 . 1 . . . . . 745 VAL MG1 . 51075 1 846 . 1 . 1 109 109 VAL HG21 H 1 0.780 0.00 . 1 . . . . . 745 VAL MG2 . 51075 1 847 . 1 . 1 109 109 VAL HG22 H 1 0.780 0.00 . 1 . . . . . 745 VAL MG2 . 51075 1 848 . 1 . 1 109 109 VAL HG23 H 1 0.780 0.00 . 1 . . . . . 745 VAL MG2 . 51075 1 849 . 1 . 1 109 109 VAL CA C 13 61.123 0.00 . 1 . . . . . 745 VAL CA . 51075 1 850 . 1 . 1 109 109 VAL CB C 13 35.108 0.00 . 1 . . . . . 745 VAL CB . 51075 1 851 . 1 . 1 109 109 VAL CG1 C 13 20.649 0.00 . 1 . . . . . 745 VAL CG1 . 51075 1 852 . 1 . 1 109 109 VAL CG2 C 13 21.513 0.00 . 1 . . . . . 745 VAL CG2 . 51075 1 853 . 1 . 1 109 109 VAL N N 15 126.440 0.00 . 1 . . . . . 745 VAL N . 51075 1 854 . 1 . 1 110 110 LYS H H 1 8.294 0.00 . 1 . . . . . 746 LYS H . 51075 1 855 . 1 . 1 110 110 LYS HA H 1 4.726 0.00 . 1 . . . . . 746 LYS HA . 51075 1 856 . 1 . 1 110 110 LYS CA C 13 55.607 0.00 . 1 . . . . . 746 LYS CA . 51075 1 857 . 1 . 1 110 110 LYS N N 15 126.648 0.00 . 1 . . . . . 746 LYS N . 51075 1 858 . 1 . 1 111 111 CYS H H 1 9.258 0.00 . 1 . . . . . 747 CYS H . 51075 1 859 . 1 . 1 111 111 CYS HA H 1 5.036 0.00 . 1 . . . . . 747 CYS HA . 51075 1 860 . 1 . 1 111 111 CYS HB2 H 1 3.292 0.00 . 2 . . . . . 747 CYS HB2 . 51075 1 861 . 1 . 1 111 111 CYS HB3 H 1 2.327 0.00 . 2 . . . . . 747 CYS HB3 . 51075 1 862 . 1 . 1 111 111 CYS CA C 13 54.727 0.00 . 1 . . . . . 747 CYS CA . 51075 1 863 . 1 . 1 111 111 CYS CB C 13 29.278 0.00 . 1 . . . . . 747 CYS CB . 51075 1 864 . 1 . 1 111 111 CYS N N 15 125.028 0.00 . 1 . . . . . 747 CYS N . 51075 1 865 . 1 . 1 112 112 ILE H H 1 8.664 0.00 . 1 . . . . . 748 ILE H . 51075 1 866 . 1 . 1 112 112 ILE HA H 1 4.772 0.00 . 1 . . . . . 748 ILE HA . 51075 1 867 . 1 . 1 112 112 ILE HB H 1 1.971 0.00 . 1 . . . . . 748 ILE HB . 51075 1 868 . 1 . 1 112 112 ILE HG12 H 1 1.320 0.00 . 1 . . . . . 748 ILE HG12 . 51075 1 869 . 1 . 1 112 112 ILE HG21 H 1 0.928 0.00 . 1 . . . . . 748 ILE HG2 . 51075 1 870 . 1 . 1 112 112 ILE HG22 H 1 0.928 0.00 . 1 . . . . . 748 ILE HG2 . 51075 1 871 . 1 . 1 112 112 ILE HG23 H 1 0.928 0.00 . 1 . . . . . 748 ILE HG2 . 51075 1 872 . 1 . 1 112 112 ILE HD11 H 1 0.835 0.00 . 1 . . . . . 748 ILE MD1 . 51075 1 873 . 1 . 1 112 112 ILE HD12 H 1 0.835 0.00 . 1 . . . . . 748 ILE MD1 . 51075 1 874 . 1 . 1 112 112 ILE HD13 H 1 0.835 0.00 . 1 . . . . . 748 ILE MD1 . 51075 1 875 . 1 . 1 112 112 ILE CA C 13 59.156 0.00 . 1 . . . . . 748 ILE CA . 51075 1 876 . 1 . 1 112 112 ILE CB C 13 41.122 0.00 . 1 . . . . . 748 ILE CB . 51075 1 877 . 1 . 1 112 112 ILE CG1 C 13 25.819 0.00 . 1 . . . . . 748 ILE CG1 . 51075 1 878 . 1 . 1 112 112 ILE CG2 C 13 17.858 0.00 . 1 . . . . . 748 ILE CG2 . 51075 1 879 . 1 . 1 112 112 ILE CD1 C 13 13.833 0.00 . 1 . . . . . 748 ILE CD1 . 51075 1 880 . 1 . 1 112 112 ILE N N 15 126.371 0.00 . 1 . . . . . 748 ILE N . 51075 1 881 . 1 . 1 113 113 GLU H H 1 8.371 0.00 . 1 . . . . . 749 GLU H . 51075 1 882 . 1 . 1 113 113 GLU HA H 1 4.150 0.00 . 1 . . . . . 749 GLU HA . 51075 1 883 . 1 . 1 113 113 GLU HB2 H 1 2.153 0.00 . 2 . . . . . 749 GLU HB2 . 51075 1 884 . 1 . 1 113 113 GLU HB3 H 1 1.991 0.00 . 2 . . . . . 749 GLU HB3 . 51075 1 885 . 1 . 1 113 113 GLU HG2 H 1 2.493 0.00 . 2 . . . . . 749 GLU HG2 . 51075 1 886 . 1 . 1 113 113 GLU HG3 H 1 2.395 0.00 . 2 . . . . . 749 GLU HG3 . 51075 1 887 . 1 . 1 113 113 GLU CA C 13 57.276 0.00 . 1 . . . . . 749 GLU CA . 51075 1 888 . 1 . 1 113 113 GLU CB C 13 30.234 0.00 . 1 . . . . . 749 GLU CB . 51075 1 889 . 1 . 1 113 113 GLU CG C 13 36.131 0.00 . 1 . . . . . 749 GLU CG . 51075 1 890 . 1 . 1 113 113 GLU N N 15 121.758 0.00 . 1 . . . . . 749 GLU N . 51075 1 891 . 1 . 1 114 114 GLY H H 1 8.605 0.00 . 1 . . . . . 750 GLY H . 51075 1 892 . 1 . 1 114 114 GLY N N 15 119.457 0.00 . 1 . . . . . 750 GLY N . 51075 1 stop_ save_