data_27263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27263 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the actin-binding domain of the TARP protein from Chlamydia. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-24 _Entry.Accession_date 2017-09-24 _Entry.Last_release_date 2017-09-25 _Entry.Original_release_date 2017-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 James Tolchard . . . . 27263 2 Samuel Walpole . J. . . 27263 3 Andrew Miles . J. . . 27263 4 Robin Maytum . M. . . 27263 5 Lawrence Eaglen . A. . . 27263 6 Ted Hackstadt . . . . 27263 7 Bonnie Wallace . A. . . 27263 8 Tharin Blumenschein . M.A. . . 27263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 236 27263 '15N chemical shifts' 78 27263 '1H chemical shifts' 78 27263 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 . . 2018-03-28 2017-09-24 update BMRB 'update entry citation' 27263 1 . . 2018-01-31 2017-09-24 original author 'original release' 27263 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27263 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29386631 _Citation.Full_citation . _Citation.Title ; The intrinsically disordered Tarp protein from chlamydia binds actin with a partially preformed helix ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1960 _Citation.Page_last 1960 _Citation.Year 2018 _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 James Tolchard . . . . 27263 1 2 Samuel Walpole . J. . . 27263 1 3 Andrew Miles . J. . . 27263 1 4 Robin Maytum . M. . . 27263 1 5 Lawrence Eaglen . A. . . 27263 1 6 Ted Hackstadt . . . . 27263 1 7 Bonnie Wallace . A. . . 27263 1 8 Tharin Blumenschein . M.A. . . 27263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27263 _Assembly.ID 1 _Assembly.Name 'Translocated actin-recruiting phosphoprotein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Translocated actin-recruiting phosphoprotein' 1 $Translocated_actin-recruiting_phosphoprotein A . yes 'intrinsically disordered' no no . . . 27263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Translocated_actin-recruiting_phosphoprotein _Entity.Sf_category entity _Entity.Sf_framecode Translocated_actin-recruiting_phosphoprotein _Entity.Entry_ID 27263 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Translocated_actin-recruiting_phosphoprotein _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 ; GPLGSDDSGSVSSSESDKNA SVGNDGPAMKDILSAVRKHL DVVYPGDNGGSTEGPLQANQ TLGDIVQDMETTGTSQETVV SPWKGSTSSTGSAGGSGSVQ TLLPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent remnants of the GST cleavage site.' _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 GLY . 27263 1 2 2 PRO . 27263 1 3 3 LEU . 27263 1 4 4 GLY . 27263 1 5 5 SER . 27263 1 6 726 ASP . 27263 1 7 727 ASP . 27263 1 8 728 SER . 27263 1 9 729 GLY . 27263 1 10 730 SER . 27263 1 11 731 VAL . 27263 1 12 732 SER . 27263 1 13 733 SER . 27263 1 14 734 SER . 27263 1 15 735 GLU . 27263 1 16 736 SER . 27263 1 17 737 ASP . 27263 1 18 738 LYS . 27263 1 19 739 ASN . 27263 1 20 740 ALA . 27263 1 21 741 SER . 27263 1 22 742 VAL . 27263 1 23 743 GLY . 27263 1 24 744 ASN . 27263 1 25 745 ASP . 27263 1 26 746 GLY . 27263 1 27 747 PRO . 27263 1 28 748 ALA . 27263 1 29 749 MET . 27263 1 30 750 LYS . 27263 1 31 751 ASP . 27263 1 32 752 ILE . 27263 1 33 753 LEU . 27263 1 34 754 SER . 27263 1 35 755 ALA . 27263 1 36 756 VAL . 27263 1 37 757 ARG . 27263 1 38 758 LYS . 27263 1 39 759 HIS . 27263 1 40 760 LEU . 27263 1 41 761 ASP . 27263 1 42 762 VAL . 27263 1 43 763 VAL . 27263 1 44 764 TYR . 27263 1 45 765 PRO . 27263 1 46 766 GLY . 27263 1 47 767 ASP . 27263 1 48 768 ASN . 27263 1 49 769 GLY . 27263 1 50 770 GLY . 27263 1 51 771 SER . 27263 1 52 772 THR . 27263 1 53 773 GLU . 27263 1 54 774 GLY . 27263 1 55 775 PRO . 27263 1 56 776 LEU . 27263 1 57 777 GLN . 27263 1 58 778 ALA . 27263 1 59 779 ASN . 27263 1 60 780 GLN . 27263 1 61 781 THR . 27263 1 62 782 LEU . 27263 1 63 783 GLY . 27263 1 64 784 ASP . 27263 1 65 785 ILE . 27263 1 66 786 VAL . 27263 1 67 787 GLN . 27263 1 68 788 ASP . 27263 1 69 789 MET . 27263 1 70 790 GLU . 27263 1 71 791 THR . 27263 1 72 792 THR . 27263 1 73 793 GLY . 27263 1 74 794 THR . 27263 1 75 795 SER . 27263 1 76 796 GLN . 27263 1 77 797 GLU . 27263 1 78 798 THR . 27263 1 79 799 VAL . 27263 1 80 800 VAL . 27263 1 81 801 SER . 27263 1 82 802 PRO . 27263 1 83 803 TRP . 27263 1 84 804 LYS . 27263 1 85 805 GLY . 27263 1 86 806 SER . 27263 1 87 807 THR . 27263 1 88 808 SER . 27263 1 89 809 SER . 27263 1 90 810 THR . 27263 1 91 811 GLY . 27263 1 92 812 SER . 27263 1 93 813 ALA . 27263 1 94 814 GLY . 27263 1 95 815 GLY . 27263 1 96 816 SER . 27263 1 97 817 GLY . 27263 1 98 818 SER . 27263 1 99 819 VAL . 27263 1 100 820 GLN . 27263 1 101 821 THR . 27263 1 102 822 LEU . 27263 1 103 823 LEU . 27263 1 104 824 PRO . 27263 1 105 825 SER . 27263 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27263 1 . PRO 2 2 27263 1 . LEU 3 3 27263 1 . GLY 4 4 27263 1 . SER 5 5 27263 1 . ASP 6 6 27263 1 . ASP 7 7 27263 1 . SER 8 8 27263 1 . GLY 9 9 27263 1 . SER 10 10 27263 1 . VAL 11 11 27263 1 . SER 12 12 27263 1 . SER 13 13 27263 1 . SER 14 14 27263 1 . GLU 15 15 27263 1 . SER 16 16 27263 1 . ASP 17 17 27263 1 . LYS 18 18 27263 1 . ASN 19 19 27263 1 . ALA 20 20 27263 1 . SER 21 21 27263 1 . VAL 22 22 27263 1 . GLY 23 23 27263 1 . ASN 24 24 27263 1 . ASP 25 25 27263 1 . GLY 26 26 27263 1 . PRO 27 27 27263 1 . ALA 28 28 27263 1 . MET 29 29 27263 1 . LYS 30 30 27263 1 . ASP 31 31 27263 1 . ILE 32 32 27263 1 . LEU 33 33 27263 1 . SER 34 34 27263 1 . ALA 35 35 27263 1 . VAL 36 36 27263 1 . ARG 37 37 27263 1 . LYS 38 38 27263 1 . HIS 39 39 27263 1 . LEU 40 40 27263 1 . ASP 41 41 27263 1 . VAL 42 42 27263 1 . VAL 43 43 27263 1 . TYR 44 44 27263 1 . PRO 45 45 27263 1 . GLY 46 46 27263 1 . ASP 47 47 27263 1 . ASN 48 48 27263 1 . GLY 49 49 27263 1 . GLY 50 50 27263 1 . SER 51 51 27263 1 . THR 52 52 27263 1 . GLU 53 53 27263 1 . GLY 54 54 27263 1 . PRO 55 55 27263 1 . LEU 56 56 27263 1 . GLN 57 57 27263 1 . ALA 58 58 27263 1 . ASN 59 59 27263 1 . GLN 60 60 27263 1 . THR 61 61 27263 1 . LEU 62 62 27263 1 . GLY 63 63 27263 1 . ASP 64 64 27263 1 . ILE 65 65 27263 1 . VAL 66 66 27263 1 . GLN 67 67 27263 1 . ASP 68 68 27263 1 . MET 69 69 27263 1 . GLU 70 70 27263 1 . THR 71 71 27263 1 . THR 72 72 27263 1 . GLY 73 73 27263 1 . THR 74 74 27263 1 . SER 75 75 27263 1 . GLN 76 76 27263 1 . GLU 77 77 27263 1 . THR 78 78 27263 1 . VAL 79 79 27263 1 . VAL 80 80 27263 1 . SER 81 81 27263 1 . PRO 82 82 27263 1 . TRP 83 83 27263 1 . LYS 84 84 27263 1 . GLY 85 85 27263 1 . SER 86 86 27263 1 . THR 87 87 27263 1 . SER 88 88 27263 1 . SER 89 89 27263 1 . THR 90 90 27263 1 . GLY 91 91 27263 1 . SER 92 92 27263 1 . ALA 93 93 27263 1 . GLY 94 94 27263 1 . GLY 95 95 27263 1 . SER 96 96 27263 1 . GLY 97 97 27263 1 . SER 98 98 27263 1 . VAL 99 99 27263 1 . GLN 100 100 27263 1 . THR 101 101 27263 1 . LEU 102 102 27263 1 . LEU 103 103 27263 1 . PRO 104 104 27263 1 . SER 105 105 27263 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27263 _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 $Translocated_actin-recruiting_phosphoprotein . 813 organism . 'Chlamydia trachomatis' 'Chlamydia trachomatis' . . Bacteria . Chlamydia trachomatis 'Serovar L2' . . . . . . . . . . . . 27263 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27263 _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 $Translocated_actin-recruiting_phosphoprotein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3*)' . . . . . pGEX-6P-1 . . . 27263 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27263 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Translocated actin-recruiting phosphoprotein' '[U-100% 13C; U-100% 15N]' . . 1 $Translocated_actin-recruiting_phosphoprotein . . 1 . . mM . . . . 27263 1 2 TRIS 'natural abundance' . . . . . . 2 . . mM . . . . 27263 1 3 DSS 'natural abundance' . . . . . . 200 . . uM . . . . 27263 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . '% w/v' . . . . 27263 1 5 D2O 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 27263 1 6 'Calcium Chloride' 'natural abundance' . . . . . . 0.2 . . mM . . . . 27263 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 27263 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . mM 27263 1 pH 7.5 . pH 27263 1 pressure 1 . atm 27263 1 temperature 298 . K 27263 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27263 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27263 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27263 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27263 2 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 27263 _Software.ID 3 _Software.Type . _Software.Name CcpNMR_Analysis _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27263 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27263 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27263 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27263 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27263 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27263 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27263 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27263 1 5 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27263 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27263 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27263 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27263 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27263 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 '2D 1H-15N HSQC' . . . 27263 1 2 '3D CBCA(CO)NH' . . . 27263 1 3 '3D HNCACB' . . . 27263 1 4 '3D HNCO' . . . 27263 1 5 '3D HNN' . . . 27263 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CcpNMR_Analysis . . 27263 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 6 6 ASP H H 1 8.4624 0.00 . 1 . . . . . 726 ASP HN . 27263 1 2 . 1 1 6 6 ASP C C 13 176.0171 0.00 . 1 . . . . . 726 ASP CO . 27263 1 3 . 1 1 6 6 ASP CA C 13 54.3596 0.03 . 1 . . . . . 726 ASP CA . 27263 1 4 . 1 1 6 6 ASP CB C 13 41.1585 0.01 . 1 . . . . . 726 ASP CB . 27263 1 5 . 1 1 6 6 ASP N N 15 122.1032 0.02 . 1 . . . . . 726 ASP N . 27263 1 6 . 1 1 7 7 ASP H H 1 8.2981 0.00 . 1 . . . . . 727 ASP HN . 27263 1 7 . 1 1 7 7 ASP C C 13 176.7615 0.01 . 1 . . . . . 727 ASP CO . 27263 1 8 . 1 1 7 7 ASP CA C 13 54.3532 0.02 . 1 . . . . . 727 ASP CA . 27263 1 9 . 1 1 7 7 ASP CB C 13 41.1716 0.00 . 1 . . . . . 727 ASP CB . 27263 1 10 . 1 1 7 7 ASP N N 15 121.1944 0.03 . 1 . . . . . 727 ASP N . 27263 1 11 . 1 1 8 8 SER H H 1 8.3927 0.00 . 1 . . . . . 728 SER HN . 27263 1 12 . 1 1 8 8 SER C C 13 175.4497 0.00 . 1 . . . . . 728 SER CO . 27263 1 13 . 1 1 8 8 SER CA C 13 59.3927 0.01 . 1 . . . . . 728 SER CA . 27263 1 14 . 1 1 8 8 SER CB C 13 63.8244 0.02 . 1 . . . . . 728 SER CB . 27263 1 15 . 1 1 8 8 SER N N 15 116.7354 0.04 . 1 . . . . . 728 SER N . 27263 1 16 . 1 1 9 9 GLY H H 1 8.4861 0.00 . 1 . . . . . 729 GLY HN . 27263 1 17 . 1 1 9 9 GLY C C 13 174.3040 0.01 . 1 . . . . . 729 GLY CO . 27263 1 18 . 1 1 9 9 GLY CA C 13 45.5117 0.01 . 1 . . . . . 729 GLY CA . 27263 1 19 . 1 1 9 9 GLY N N 15 110.8053 0.03 . 1 . . . . . 729 GLY N . 27263 1 20 . 1 1 10 10 SER H H 1 8.1327 0.00 . 1 . . . . . 730 SER HN . 27263 1 21 . 1 1 10 10 SER C C 13 174.6143 0.01 . 1 . . . . . 730 SER CO . 27263 1 22 . 1 1 10 10 SER CA C 13 58.3703 0.05 . 1 . . . . . 730 SER CA . 27263 1 23 . 1 1 10 10 SER CB C 13 63.9136 0.07 . 1 . . . . . 730 SER CB . 27263 1 24 . 1 1 10 10 SER N N 15 115.7177 0.03 . 1 . . . . . 730 SER N . 27263 1 25 . 1 1 11 11 VAL H H 1 8.1879 0.00 . 1 . . . . . 731 VAL HN . 27263 1 26 . 1 1 11 11 VAL C C 13 176.3074 0.00 . 1 . . . . . 731 VAL CO . 27263 1 27 . 1 1 11 11 VAL CA C 13 62.3335 0.03 . 1 . . . . . 731 VAL CA . 27263 1 28 . 1 1 11 11 VAL CB C 13 32.7428 0.06 . 1 . . . . . 731 VAL CB . 27263 1 29 . 1 1 11 11 VAL N N 15 121.6440 0.03 . 1 . . . . . 731 VAL N . 27263 1 30 . 1 1 12 12 SER H H 1 8.4500 0.00 . 1 . . . . . 732 SER HN . 27263 1 31 . 1 1 12 12 SER C C 13 174.7297 0.03 . 1 . . . . . 732 SER CO . 27263 1 32 . 1 1 12 12 SER CA C 13 58.3228 0.07 . 1 . . . . . 732 SER CA . 27263 1 33 . 1 1 12 12 SER CB C 13 63.9343 0.04 . 1 . . . . . 732 SER CB . 27263 1 34 . 1 1 12 12 SER N N 15 119.6454 0.04 . 1 . . . . . 732 SER N . 27263 1 35 . 1 1 13 13 SER H H 1 8.4585 0.00 . 1 . . . . . 733 SER HN . 27263 1 36 . 1 1 13 13 SER C C 13 174.7727 0.00 . 1 . . . . . 733 SER CO . 27263 1 37 . 1 1 13 13 SER CA C 13 58.5187 0.08 . 1 . . . . . 733 SER CA . 27263 1 38 . 1 1 13 13 SER CB C 13 63.9267 0.06 . 1 . . . . . 733 SER CB . 27263 1 39 . 1 1 13 13 SER N N 15 118.3268 0.06 . 1 . . . . . 733 SER N . 27263 1 40 . 1 1 14 14 SER H H 1 8.4460 0.00 . 1 . . . . . 734 SER HN . 27263 1 41 . 1 1 14 14 SER C C 13 174.8909 0.01 . 1 . . . . . 734 SER CO . 27263 1 42 . 1 1 14 14 SER CA C 13 58.6576 0.07 . 1 . . . . . 734 SER CA . 27263 1 43 . 1 1 14 14 SER CB C 13 63.8768 0.03 . 1 . . . . . 734 SER CB . 27263 1 44 . 1 1 14 14 SER N N 15 117.9084 0.07 . 1 . . . . . 734 SER N . 27263 1 45 . 1 1 15 15 GLU H H 1 8.4492 0.00 . 1 . . . . . 735 GLU HN . 27263 1 46 . 1 1 15 15 GLU C C 13 176.9405 0.02 . 1 . . . . . 735 GLU CO . 27263 1 47 . 1 1 15 15 GLU CA C 13 57.0603 0.12 . 1 . . . . . 735 GLU CA . 27263 1 48 . 1 1 15 15 GLU CB C 13 30.1282 0.06 . 1 . . . . . 735 GLU CB . 27263 1 49 . 1 1 15 15 GLU N N 15 122.6724 0.05 . 1 . . . . . 735 GLU N . 27263 1 50 . 1 1 16 16 SER H H 1 8.2426 0.00 . 1 . . . . . 736 SER HN . 27263 1 51 . 1 1 16 16 SER C C 13 174.6361 0.02 . 1 . . . . . 736 SER CO . 27263 1 52 . 1 1 16 16 SER CA C 13 59.0211 0.04 . 1 . . . . . 736 SER CA . 27263 1 53 . 1 1 16 16 SER CB C 13 63.7286 0.07 . 1 . . . . . 736 SER CB . 27263 1 54 . 1 1 16 16 SER N N 15 116.0899 0.06 . 1 . . . . . 736 SER N . 27263 1 55 . 1 1 17 17 ASP H H 1 8.2875 0.00 . 1 . . . . . 737 ASP HN . 27263 1 56 . 1 1 17 17 ASP C C 13 176.8207 0.01 . 1 . . . . . 737 ASP CO . 27263 1 57 . 1 1 17 17 ASP CA C 13 54.5149 0.10 . 1 . . . . . 737 ASP CA . 27263 1 58 . 1 1 17 17 ASP CB C 13 40.9637 0.02 . 1 . . . . . 737 ASP CB . 27263 1 59 . 1 1 17 17 ASP N N 15 122.2000 0.03 . 1 . . . . . 737 ASP N . 27263 1 60 . 1 1 18 18 LYS H H 1 8.1860 0.00 . 1 . . . . . 738 LYS HN . 27263 1 61 . 1 1 18 18 LYS C C 13 176.8294 0.01 . 1 . . . . . 738 LYS CO . 27263 1 62 . 1 1 18 18 LYS CA C 13 56.9079 0.05 . 1 . . . . . 738 LYS CA . 27263 1 63 . 1 1 18 18 LYS CB C 13 32.5785 0.04 . 1 . . . . . 738 LYS CB . 27263 1 64 . 1 1 18 18 LYS N N 15 121.6615 0.04 . 1 . . . . . 738 LYS N . 27263 1 65 . 1 1 19 19 ASN H H 1 8.3612 0.00 . 1 . . . . . 739 ASN HN . 27263 1 66 . 1 1 19 19 ASN C C 13 175.1019 0.03 . 1 . . . . . 739 ASN CO . 27263 1 67 . 1 1 19 19 ASN CA C 13 53.4869 0.06 . 1 . . . . . 739 ASN CA . 27263 1 68 . 1 1 19 19 ASN CB C 13 38.9313 0.05 . 1 . . . . . 739 ASN CB . 27263 1 69 . 1 1 19 19 ASN N N 15 118.8014 0.03 . 1 . . . . . 739 ASN N . 27263 1 70 . 1 1 20 20 ALA H H 1 8.0938 0.00 . 1 . . . . . 740 ALA HN . 27263 1 71 . 1 1 20 20 ALA C C 13 177.7893 0.01 . 1 . . . . . 740 ALA CO . 27263 1 72 . 1 1 20 20 ALA CA C 13 52.8494 0.03 . 1 . . . . . 740 ALA CA . 27263 1 73 . 1 1 20 20 ALA CB C 13 19.2249 0.00 . 1 . . . . . 740 ALA CB . 27263 1 74 . 1 1 20 20 ALA N N 15 124.0319 0.07 . 1 . . . . . 740 ALA N . 27263 1 75 . 1 1 21 21 SER H H 1 8.2709 0.00 . 1 . . . . . 741 SER HN . 27263 1 76 . 1 1 21 21 SER C C 13 174.6363 0.00 . 1 . . . . . 741 SER CO . 27263 1 77 . 1 1 21 21 SER CA C 13 58.3888 0.04 . 1 . . . . . 741 SER CA . 27263 1 78 . 1 1 21 21 SER CB C 13 63.8068 0.04 . 1 . . . . . 741 SER CB . 27263 1 79 . 1 1 21 21 SER N N 15 115.0156 0.03 . 1 . . . . . 741 SER N . 27263 1 80 . 1 1 22 22 VAL H H 1 8.0875 0.00 . 1 . . . . . 742 VAL HN . 27263 1 81 . 1 1 22 22 VAL C C 13 176.6373 0.01 . 1 . . . . . 742 VAL CO . 27263 1 82 . 1 1 22 22 VAL CA C 13 62.4280 0.03 . 1 . . . . . 742 VAL CA . 27263 1 83 . 1 1 22 22 VAL CB C 13 32.6849 0.04 . 1 . . . . . 742 VAL CB . 27263 1 84 . 1 1 22 22 VAL N N 15 121.3376 0.02 . 1 . . . . . 742 VAL N . 27263 1 85 . 1 1 23 23 GLY H H 1 8.4427 0.00 . 1 . . . . . 743 GLY HN . 27263 1 86 . 1 1 23 23 GLY C C 13 173.9899 0.00 . 1 . . . . . 743 GLY CO . 27263 1 87 . 1 1 23 23 GLY CA C 13 45.3164 0.01 . 1 . . . . . 743 GLY CA . 27263 1 88 . 1 1 23 23 GLY N N 15 111.9891 0.04 . 1 . . . . . 743 GLY N . 27263 1 89 . 1 1 24 24 ASN H H 1 8.3652 0.00 . 1 . . . . . 744 ASN HN . 27263 1 90 . 1 1 24 24 ASN C C 13 174.9079 0.04 . 1 . . . . . 744 ASN CO . 27263 1 91 . 1 1 24 24 ASN CA C 13 53.3298 0.07 . 1 . . . . . 744 ASN CA . 27263 1 92 . 1 1 24 24 ASN CB C 13 39.1049 0.08 . 1 . . . . . 744 ASN CB . 27263 1 93 . 1 1 24 24 ASN N N 15 118.8133 0.03 . 1 . . . . . 744 ASN N . 27263 1 94 . 1 1 25 25 ASP H H 1 8.4164 0.00 . 1 . . . . . 745 ASP HN . 27263 1 95 . 1 1 25 25 ASP C C 13 176.2586 0.01 . 1 . . . . . 745 ASP CO . 27263 1 96 . 1 1 25 25 ASP CA C 13 54.3139 0.02 . 1 . . . . . 745 ASP CA . 27263 1 97 . 1 1 25 25 ASP CB C 13 41.2743 0.01 . 1 . . . . . 745 ASP CB . 27263 1 98 . 1 1 25 25 ASP N N 15 120.3761 0.04 . 1 . . . . . 745 ASP N . 27263 1 99 . 1 1 26 26 GLY H H 1 8.1568 0.00 . 1 . . . . . 746 GLY HN . 27263 1 100 . 1 1 26 26 GLY C C 13 172.0453 0.00 . 1 . . . . . 746 GLY CO . 27263 1 101 . 1 1 26 26 GLY CA C 13 44.9569 0.00 . 1 . . . . . 746 GLY CA . 27263 1 102 . 1 1 26 26 GLY N N 15 108.9081 0.03 . 1 . . . . . 746 GLY N . 27263 1 103 . 1 1 27 27 PRO C C 13 177.0108 0.01 . 1 . . . . . 747 PRO CO . 27263 1 104 . 1 1 27 27 PRO CA C 13 63.4243 0.01 . 1 . . . . . 747 PRO CA . 27263 1 105 . 1 1 27 27 PRO CB C 13 32.0561 0.00 . 1 . . . . . 747 PRO CB . 27263 1 106 . 1 1 28 28 ALA H H 1 8.3736 0.00 . 1 . . . . . 748 ALA HN . 27263 1 107 . 1 1 28 28 ALA C C 13 178.1997 0.01 . 1 . . . . . 748 ALA CO . 27263 1 108 . 1 1 28 28 ALA CA C 13 52.7119 0.02 . 1 . . . . . 748 ALA CA . 27263 1 109 . 1 1 28 28 ALA CB C 13 19.0234 0.01 . 1 . . . . . 748 ALA CB . 27263 1 110 . 1 1 28 28 ALA N N 15 123.4937 0.04 . 1 . . . . . 748 ALA N . 27263 1 111 . 1 1 29 29 MET H H 1 8.2759 0.00 . 1 . . . . . 749 MET HN . 27263 1 112 . 1 1 29 29 MET C C 13 176.5381 0.01 . 1 . . . . . 749 MET CO . 27263 1 113 . 1 1 29 29 MET CA C 13 55.7586 0.03 . 1 . . . . . 749 MET CA . 27263 1 114 . 1 1 29 29 MET CB C 13 32.4660 0.08 . 1 . . . . . 749 MET CB . 27263 1 115 . 1 1 29 29 MET N N 15 119.4994 0.03 . 1 . . . . . 749 MET N . 27263 1 116 . 1 1 30 30 LYS H H 1 8.2251 0.00 . 1 . . . . . 750 LYS HN . 27263 1 117 . 1 1 30 30 LYS C C 13 176.4984 0.02 . 1 . . . . . 750 LYS CO . 27263 1 118 . 1 1 30 30 LYS CA C 13 56.9681 0.04 . 1 . . . . . 750 LYS CA . 27263 1 119 . 1 1 30 30 LYS CB C 13 32.9426 0.02 . 1 . . . . . 750 LYS CB . 27263 1 120 . 1 1 30 30 LYS N N 15 121.3880 0.07 . 1 . . . . . 750 LYS N . 27263 1 121 . 1 1 31 31 ASP H H 1 8.2378 0.00 . 1 . . . . . 751 ASP HN . 27263 1 122 . 1 1 31 31 ASP C C 13 176.6876 0.01 . 1 . . . . . 751 ASP CO . 27263 1 123 . 1 1 31 31 ASP CA C 13 54.6809 0.02 . 1 . . . . . 751 ASP CA . 27263 1 124 . 1 1 31 31 ASP CB C 13 41.0404 0.01 . 1 . . . . . 751 ASP CB . 27263 1 125 . 1 1 31 31 ASP N N 15 120.8130 0.07 . 1 . . . . . 751 ASP N . 27263 1 126 . 1 1 32 32 ILE H H 1 8.0147 0.00 . 1 . . . . . 752 ILE HN . 27263 1 127 . 1 1 32 32 ILE C C 13 176.8425 0.02 . 1 . . . . . 752 ILE CO . 27263 1 128 . 1 1 32 32 ILE CA C 13 62.0641 0.01 . 1 . . . . . 752 ILE CA . 27263 1 129 . 1 1 32 32 ILE CB C 13 38.4886 0.04 . 1 . . . . . 752 ILE CB . 27263 1 130 . 1 1 32 32 ILE N N 15 121.0190 0.04 . 1 . . . . . 752 ILE N . 27263 1 131 . 1 1 33 33 LEU H H 1 8.2436 0.00 . 1 . . . . . 753 LEU HN . 27263 1 132 . 1 1 33 33 LEU C C 13 177.9098 0.00 . 1 . . . . . 753 LEU CO . 27263 1 133 . 1 1 33 33 LEU CA C 13 55.7279 0.04 . 1 . . . . . 753 LEU CA . 27263 1 134 . 1 1 33 33 LEU CB C 13 41.9974 0.08 . 1 . . . . . 753 LEU CB . 27263 1 135 . 1 1 33 33 LEU N N 15 123.8435 0.03 . 1 . . . . . 753 LEU N . 27263 1 136 . 1 1 34 34 SER H H 1 8.0796 0.00 . 1 . . . . . 754 SER HN . 27263 1 137 . 1 1 34 34 SER C C 13 174.6089 0.00 . 1 . . . . . 754 SER CO . 27263 1 138 . 1 1 34 34 SER CA C 13 58.9929 0.03 . 1 . . . . . 754 SER CA . 27263 1 139 . 1 1 34 34 SER CB C 13 63.6445 0.03 . 1 . . . . . 754 SER CB . 27263 1 140 . 1 1 34 34 SER N N 15 115.6563 0.03 . 1 . . . . . 754 SER N . 27263 1 141 . 1 1 35 35 ALA H H 1 8.1223 0.00 . 1 . . . . . 755 ALA HN . 27263 1 142 . 1 1 35 35 ALA C C 13 177.9178 0.00 . 1 . . . . . 755 ALA CO . 27263 1 143 . 1 1 35 35 ALA CA C 13 52.9247 0.01 . 1 . . . . . 755 ALA CA . 27263 1 144 . 1 1 35 35 ALA CB C 13 19.1610 0.01 . 1 . . . . . 755 ALA CB . 27263 1 145 . 1 1 35 35 ALA N N 15 125.3440 0.04 . 1 . . . . . 755 ALA N . 27263 1 146 . 1 1 36 36 VAL H H 1 7.9244 0.00 . 1 . . . . . 756 VAL HN . 27263 1 147 . 1 1 36 36 VAL C C 13 176.3422 0.02 . 1 . . . . . 756 VAL CO . 27263 1 148 . 1 1 36 36 VAL CA C 13 62.7430 0.05 . 1 . . . . . 756 VAL CA . 27263 1 149 . 1 1 36 36 VAL CB C 13 32.4762 0.06 . 1 . . . . . 756 VAL CB . 27263 1 150 . 1 1 36 36 VAL N N 15 118.5597 0.03 . 1 . . . . . 756 VAL N . 27263 1 151 . 1 1 37 37 ARG H H 1 8.2565 0.00 . 1 . . . . . 757 ARG HN . 27263 1 152 . 1 1 37 37 ARG C C 13 176.0960 0.01 . 1 . . . . . 757 ARG CO . 27263 1 153 . 1 1 37 37 ARG CA C 13 56.0651 0.05 . 1 . . . . . 757 ARG CA . 27263 1 154 . 1 1 37 37 ARG CB C 13 30.6963 0.02 . 1 . . . . . 757 ARG CB . 27263 1 155 . 1 1 37 37 ARG N N 15 124.4513 0.05 . 1 . . . . . 757 ARG N . 27263 1 156 . 1 1 38 38 LYS H H 1 8.2716 0.00 . 1 . . . . . 758 LYS HN . 27263 1 157 . 1 1 38 38 LYS C C 13 176.2007 0.03 . 1 . . . . . 758 LYS CO . 27263 1 158 . 1 1 38 38 LYS CA C 13 56.4606 0.03 . 1 . . . . . 758 LYS CA . 27263 1 159 . 1 1 38 38 LYS CB C 13 33.1354 0.03 . 1 . . . . . 758 LYS CB . 27263 1 160 . 1 1 38 38 LYS N N 15 122.6533 0.07 . 1 . . . . . 758 LYS N . 27263 1 161 . 1 1 39 39 HIS H H 1 8.3746 0.00 . 1 . . . . . 759 HIS HN . 27263 1 162 . 1 1 39 39 HIS C C 13 174.9454 0.00 . 1 . . . . . 759 HIS CO . 27263 1 163 . 1 1 39 39 HIS CA C 13 56.1460 0.09 . 1 . . . . . 759 HIS CA . 27263 1 164 . 1 1 39 39 HIS CB C 13 30.2022 0.11 . 1 . . . . . 759 HIS CB . 27263 1 165 . 1 1 39 39 HIS N N 15 120.5006 0.03 . 1 . . . . . 759 HIS N . 27263 1 166 . 1 1 40 40 LEU H H 1 8.1713 0.01 . 1 . . . . . 760 LEU HN . 27263 1 167 . 1 1 40 40 LEU C C 13 176.6510 0.01 . 1 . . . . . 760 LEU CO . 27263 1 168 . 1 1 40 40 LEU CA C 13 55.1487 0.06 . 1 . . . . . 760 LEU CA . 27263 1 169 . 1 1 40 40 LEU CB C 13 42.5315 0.01 . 1 . . . . . 760 LEU CB . 27263 1 170 . 1 1 40 40 LEU N N 15 123.4963 0.07 . 1 . . . . . 760 LEU N . 27263 1 171 . 1 1 41 41 ASP H H 1 8.3474 0.00 . 1 . . . . . 761 ASP HN . 27263 1 172 . 1 1 41 41 ASP C C 13 175.7881 0.01 . 1 . . . . . 761 ASP CO . 27263 1 173 . 1 1 41 41 ASP CA C 13 54.4335 0.03 . 1 . . . . . 761 ASP CA . 27263 1 174 . 1 1 41 41 ASP CB C 13 41.1287 0.01 . 1 . . . . . 761 ASP CB . 27263 1 175 . 1 1 41 41 ASP N N 15 121.2757 0.04 . 1 . . . . . 761 ASP N . 27263 1 176 . 1 1 42 42 VAL H H 1 7.9251 0.00 . 1 . . . . . 762 VAL HN . 27263 1 177 . 1 1 42 42 VAL C C 13 175.4009 0.03 . 1 . . . . . 762 VAL CO . 27263 1 178 . 1 1 42 42 VAL CA C 13 62.0993 0.04 . 1 . . . . . 762 VAL CA . 27263 1 179 . 1 1 42 42 VAL CB C 13 33.0059 0.05 . 1 . . . . . 762 VAL CB . 27263 1 180 . 1 1 42 42 VAL N N 15 120.0586 0.03 . 1 . . . . . 762 VAL N . 27263 1 181 . 1 1 43 43 VAL H H 1 8.1062 0.00 . 1 . . . . . 763 VAL HN . 27263 1 182 . 1 1 43 43 VAL C C 13 175.4659 0.01 . 1 . . . . . 763 VAL CO . 27263 1 183 . 1 1 43 43 VAL CA C 13 61.9785 0.00 . 1 . . . . . 763 VAL CA . 27263 1 184 . 1 1 43 43 VAL CB C 13 32.9324 0.06 . 1 . . . . . 763 VAL CB . 27263 1 185 . 1 1 43 43 VAL N N 15 124.2056 0.03 . 1 . . . . . 763 VAL N . 27263 1 186 . 1 1 44 44 TYR H H 1 8.5008 0.00 . 1 . . . . . 764 TYR HN . 27263 1 187 . 1 1 44 44 TYR C C 13 174.2324 0.00 . 1 . . . . . 764 TYR CO . 27263 1 188 . 1 1 44 44 TYR CA C 13 55.5754 0.00 . 1 . . . . . 764 TYR CA . 27263 1 189 . 1 1 44 44 TYR CB C 13 38.3559 0.00 . 1 . . . . . 764 TYR CB . 27263 1 190 . 1 1 44 44 TYR N N 15 126.1592 0.03 . 1 . . . . . 764 TYR N . 27263 1 191 . 1 1 45 45 PRO C C 13 177.3508 0.00 . 1 . . . . . 765 PRO CO . 27263 1 192 . 1 1 45 45 PRO CA C 13 63.5746 0.03 . 1 . . . . . 765 PRO CA . 27263 1 193 . 1 1 45 45 PRO CB C 13 31.9897 0.02 . 1 . . . . . 765 PRO CB . 27263 1 194 . 1 1 46 46 GLY H H 1 8.0048 0.00 . 1 . . . . . 766 GLY HN . 27263 1 195 . 1 1 46 46 GLY C C 13 173.8943 0.01 . 1 . . . . . 766 GLY CO . 27263 1 196 . 1 1 46 46 GLY CA C 13 45.1848 0.02 . 1 . . . . . 766 GLY CA . 27263 1 197 . 1 1 46 46 GLY N N 15 108.6171 0.02 . 1 . . . . . 766 GLY N . 27263 1 198 . 1 1 47 47 ASP H H 1 8.2050 0.00 . 1 . . . . . 767 ASP HN . 27263 1 199 . 1 1 47 47 ASP C C 13 176.4070 0.02 . 1 . . . . . 767 ASP CO . 27263 1 200 . 1 1 47 47 ASP CA C 13 54.3872 0.04 . 1 . . . . . 767 ASP CA . 27263 1 201 . 1 1 47 47 ASP CB C 13 41.3083 0.01 . 1 . . . . . 767 ASP CB . 27263 1 202 . 1 1 47 47 ASP N N 15 120.1960 0.16 . 1 . . . . . 767 ASP N . 27263 1 203 . 1 1 48 48 ASN H H 1 8.5173 0.00 . 1 . . . . . 768 ASN HN . 27263 1 204 . 1 1 48 48 ASN C C 13 176.0021 0.00 . 1 . . . . . 768 ASN CO . 27263 1 205 . 1 1 48 48 ASN CA C 13 53.3852 0.04 . 1 . . . . . 768 ASN CA . 27263 1 206 . 1 1 48 48 ASN CB C 13 38.8378 0.01 . 1 . . . . . 768 ASN CB . 27263 1 207 . 1 1 48 48 ASN N N 15 119.3741 0.03 . 1 . . . . . 768 ASN N . 27263 1 208 . 1 1 49 49 GLY H H 1 8.5005 0.00 . 1 . . . . . 769 GLY HN . 27263 1 209 . 1 1 49 49 GLY C C 13 174.8264 0.00 . 1 . . . . . 769 GLY CO . 27263 1 210 . 1 1 49 49 GLY CA C 13 45.7572 0.02 . 1 . . . . . 769 GLY CA . 27263 1 211 . 1 1 49 49 GLY N N 15 109.1308 0.04 . 1 . . . . . 769 GLY N . 27263 1 212 . 1 1 50 50 GLY H H 1 8.2582 0.00 . 1 . . . . . 770 GLY HN . 27263 1 213 . 1 1 50 50 GLY C C 13 174.2314 0.01 . 1 . . . . . 770 GLY CO . 27263 1 214 . 1 1 50 50 GLY CA C 13 45.2957 0.03 . 1 . . . . . 770 GLY CA . 27263 1 215 . 1 1 50 50 GLY N N 15 108.6454 0.03 . 1 . . . . . 770 GLY N . 27263 1 216 . 1 1 51 51 SER H H 1 8.2304 0.00 . 1 . . . . . 771 SER HN . 27263 1 217 . 1 1 51 51 SER C C 13 175.0694 0.01 . 1 . . . . . 771 SER CO . 27263 1 218 . 1 1 51 51 SER CA C 13 58.2375 0.07 . 1 . . . . . 771 SER CA . 27263 1 219 . 1 1 51 51 SER CB C 13 63.9544 0.05 . 1 . . . . . 771 SER CB . 27263 1 220 . 1 1 51 51 SER N N 15 115.5005 0.03 . 1 . . . . . 771 SER N . 27263 1 221 . 1 1 52 52 THR H H 1 8.3183 0.00 . 1 . . . . . 772 THR HN . 27263 1 222 . 1 1 52 52 THR C C 13 174.5678 0.02 . 1 . . . . . 772 THR CO . 27263 1 223 . 1 1 52 52 THR CA C 13 61.9907 0.03 . 1 . . . . . 772 THR CA . 27263 1 224 . 1 1 52 52 THR CB C 13 69.6668 0.01 . 1 . . . . . 772 THR CB . 27263 1 225 . 1 1 52 52 THR N N 15 115.9333 0.04 . 1 . . . . . 772 THR N . 27263 1 226 . 1 1 53 53 GLU H H 1 8.3810 0.00 . 1 . . . . . 773 GLU HN . 27263 1 227 . 1 1 53 53 GLU C C 13 176.4926 0.00 . 1 . . . . . 773 GLU CO . 27263 1 228 . 1 1 53 53 GLU CA C 13 56.5836 0.01 . 1 . . . . . 773 GLU CA . 27263 1 229 . 1 1 53 53 GLU CB C 13 30.5482 0.01 . 1 . . . . . 773 GLU CB . 27263 1 230 . 1 1 53 53 GLU N N 15 122.9326 0.03 . 1 . . . . . 773 GLU N . 27263 1 231 . 1 1 54 54 GLY H H 1 8.2513 0.00 . 1 . . . . . 774 GLY HN . 27263 1 232 . 1 1 54 54 GLY C C 13 171.8067 0.00 . 1 . . . . . 774 GLY CO . 27263 1 233 . 1 1 54 54 GLY CA C 13 44.6692 0.00 . 1 . . . . . 774 GLY CA . 27263 1 234 . 1 1 54 54 GLY N N 15 110.1647 0.04 . 1 . . . . . 774 GLY N . 27263 1 235 . 1 1 55 55 PRO C C 13 177.2030 0.02 . 1 . . . . . 775 PRO CO . 27263 1 236 . 1 1 55 55 PRO CA C 13 63.1353 0.00 . 1 . . . . . 775 PRO CA . 27263 1 237 . 1 1 55 55 PRO CB C 13 32.1150 0.01 . 1 . . . . . 775 PRO CB . 27263 1 238 . 1 1 56 56 LEU H H 1 8.3330 0.00 . 1 . . . . . 776 LEU HN . 27263 1 239 . 1 1 56 56 LEU C C 13 177.5698 0.00 . 1 . . . . . 776 LEU CO . 27263 1 240 . 1 1 56 56 LEU CA C 13 55.3529 0.03 . 1 . . . . . 776 LEU CA . 27263 1 241 . 1 1 56 56 LEU CB C 13 42.2144 0.03 . 1 . . . . . 776 LEU CB . 27263 1 242 . 1 1 56 56 LEU N N 15 122.0599 0.05 . 1 . . . . . 776 LEU N . 27263 1 243 . 1 1 57 57 GLN H H 1 8.3272 0.00 . 1 . . . . . 777 GLN HN . 27263 1 244 . 1 1 57 57 GLN C C 13 175.7386 0.02 . 1 . . . . . 777 GLN CO . 27263 1 245 . 1 1 57 57 GLN CA C 13 55.7531 0.01 . 1 . . . . . 777 GLN CA . 27263 1 246 . 1 1 57 57 GLN CB C 13 29.4596 0.02 . 1 . . . . . 777 GLN CB . 27263 1 247 . 1 1 57 57 GLN N N 15 121.3644 0.07 . 1 . . . . . 777 GLN N . 27263 1 248 . 1 1 58 58 ALA H H 1 8.3361 0.00 . 1 . . . . . 778 ALA HN . 27263 1 249 . 1 1 58 58 ALA C C 13 177.5049 0.02 . 1 . . . . . 778 ALA CO . 27263 1 250 . 1 1 58 58 ALA CA C 13 52.7275 0.01 . 1 . . . . . 778 ALA CA . 27263 1 251 . 1 1 58 58 ALA CB C 13 19.2070 0.02 . 1 . . . . . 778 ALA CB . 27263 1 252 . 1 1 58 58 ALA N N 15 125.1319 0.07 . 1 . . . . . 778 ALA N . 27263 1 253 . 1 1 59 59 ASN H H 1 8.4195 0.00 . 1 . . . . . 779 ASN HN . 27263 1 254 . 1 1 59 59 ASN C C 13 175.2569 0.00 . 1 . . . . . 779 ASN CO . 27263 1 255 . 1 1 59 59 ASN CA C 13 53.4124 0.04 . 1 . . . . . 779 ASN CA . 27263 1 256 . 1 1 59 59 ASN CB C 13 38.6822 0.03 . 1 . . . . . 779 ASN CB . 27263 1 257 . 1 1 59 59 ASN N N 15 117.5813 0.02 . 1 . . . . . 779 ASN N . 27263 1 258 . 1 1 60 60 GLN H H 1 8.3628 0.00 . 1 . . . . . 780 GLN HN . 27263 1 259 . 1 1 60 60 GLN C C 13 176.0733 0.02 . 1 . . . . . 780 GLN CO . 27263 1 260 . 1 1 60 60 GLN CA C 13 56.0212 0.07 . 1 . . . . . 780 GLN CA . 27263 1 261 . 1 1 60 60 GLN CB C 13 29.6419 0.01 . 1 . . . . . 780 GLN CB . 27263 1 262 . 1 1 60 60 GLN N N 15 120.7467 0.05 . 1 . . . . . 780 GLN N . 27263 1 263 . 1 1 61 61 THR H H 1 8.2936 0.00 . 1 . . . . . 781 THR HN . 27263 1 264 . 1 1 61 61 THR C C 13 174.5088 0.01 . 1 . . . . . 781 THR CO . 27263 1 265 . 1 1 61 61 THR CA C 13 61.9368 0.03 . 1 . . . . . 781 THR CA . 27263 1 266 . 1 1 61 61 THR CB C 13 69.8551 0.01 . 1 . . . . . 781 THR CB . 27263 1 267 . 1 1 61 61 THR N N 15 115.8261 0.03 . 1 . . . . . 781 THR N . 27263 1 268 . 1 1 62 62 LEU H H 1 8.3163 0.00 . 1 . . . . . 782 LEU HN . 27263 1 269 . 1 1 62 62 LEU C C 13 177.7068 0.00 . 1 . . . . . 782 LEU CO . 27263 1 270 . 1 1 62 62 LEU CA C 13 55.4514 0.05 . 1 . . . . . 782 LEU CA . 27263 1 271 . 1 1 62 62 LEU CB C 13 42.3895 0.02 . 1 . . . . . 782 LEU CB . 27263 1 272 . 1 1 62 62 LEU N N 15 124.7993 0.04 . 1 . . . . . 782 LEU N . 27263 1 273 . 1 1 63 63 GLY H H 1 8.3219 0.00 . 1 . . . . . 783 GLY HN . 27263 1 274 . 1 1 63 63 GLY C C 13 173.6969 0.03 . 1 . . . . . 783 GLY CO . 27263 1 275 . 1 1 63 63 GLY CA C 13 45.1869 0.03 . 1 . . . . . 783 GLY CA . 27263 1 276 . 1 1 63 63 GLY N N 15 109.3288 0.03 . 1 . . . . . 783 GLY N . 27263 1 277 . 1 1 64 64 ASP H H 1 8.1979 0.00 . 1 . . . . . 784 ASP HN . 27263 1 278 . 1 1 64 64 ASP C C 13 176.1031 0.02 . 1 . . . . . 784 ASP CO . 27263 1 279 . 1 1 64 64 ASP CA C 13 54.4508 0.04 . 1 . . . . . 784 ASP CA . 27263 1 280 . 1 1 64 64 ASP CB C 13 41.2264 0.04 . 1 . . . . . 784 ASP CB . 27263 1 281 . 1 1 64 64 ASP N N 15 120.4148 0.04 . 1 . . . . . 784 ASP N . 27263 1 282 . 1 1 65 65 ILE H H 1 8.0724 0.00 . 1 . . . . . 785 ILE HN . 27263 1 283 . 1 1 65 65 ILE C C 13 176.2413 0.04 . 1 . . . . . 785 ILE CO . 27263 1 284 . 1 1 65 65 ILE CA C 13 61.1082 0.03 . 1 . . . . . 785 ILE CA . 27263 1 285 . 1 1 65 65 ILE CB C 13 38.7029 0.05 . 1 . . . . . 785 ILE CB . 27263 1 286 . 1 1 65 65 ILE N N 15 120.8845 0.03 . 1 . . . . . 785 ILE N . 27263 1 287 . 1 1 66 66 VAL H H 1 8.2619 0.00 . 1 . . . . . 786 VAL HN . 27263 1 288 . 1 1 66 66 VAL C C 13 176.0295 0.02 . 1 . . . . . 786 VAL CO . 27263 1 289 . 1 1 66 66 VAL CA C 13 62.4303 0.04 . 1 . . . . . 786 VAL CA . 27263 1 290 . 1 1 66 66 VAL CB C 13 32.5991 0.04 . 1 . . . . . 786 VAL CB . 27263 1 291 . 1 1 66 66 VAL N N 15 125.4138 0.05 . 1 . . . . . 786 VAL N . 27263 1 292 . 1 1 67 67 GLN H H 1 8.4763 0.00 . 1 . . . . . 787 GLN HN . 27263 1 293 . 1 1 67 67 GLN C C 13 175.4532 0.01 . 1 . . . . . 787 GLN CO . 27263 1 294 . 1 1 67 67 GLN CA C 13 55.7684 0.03 . 1 . . . . . 787 GLN CA . 27263 1 295 . 1 1 67 67 GLN CB C 13 29.7536 0.01 . 1 . . . . . 787 GLN CB . 27263 1 296 . 1 1 67 67 GLN N N 15 124.8613 0.03 . 1 . . . . . 787 GLN N . 27263 1 297 . 1 1 68 68 ASP H H 1 8.4121 0.00 . 1 . . . . . 788 ASP HN . 27263 1 298 . 1 1 68 68 ASP C C 13 176.2611 0.00 . 1 . . . . . 788 ASP CO . 27263 1 299 . 1 1 68 68 ASP CA C 13 54.4847 0.02 . 1 . . . . . 788 ASP CA . 27263 1 300 . 1 1 68 68 ASP CB C 13 41.1027 0.02 . 1 . . . . . 788 ASP CB . 27263 1 301 . 1 1 68 68 ASP N N 15 122.0920 0.02 . 1 . . . . . 788 ASP N . 27263 1 302 . 1 1 69 69 MET H H 1 8.3749 0.00 . 1 . . . . . 789 MET HN . 27263 1 303 . 1 1 69 69 MET C C 13 176.4486 0.01 . 1 . . . . . 789 MET CO . 27263 1 304 . 1 1 69 69 MET CA C 13 55.7051 0.04 . 1 . . . . . 789 MET CA . 27263 1 305 . 1 1 69 69 MET CB C 13 32.9610 0.04 . 1 . . . . . 789 MET CB . 27263 1 306 . 1 1 69 69 MET N N 15 120.9131 0.03 . 1 . . . . . 789 MET N . 27263 1 307 . 1 1 70 70 GLU H H 1 8.5171 0.00 . 1 . . . . . 790 GLU HN . 27263 1 308 . 1 1 70 70 GLU C C 13 176.9704 0.01 . 1 . . . . . 790 GLU CO . 27263 1 309 . 1 1 70 70 GLU CA C 13 56.9648 0.04 . 1 . . . . . 790 GLU CA . 27263 1 310 . 1 1 70 70 GLU CB C 13 30.1800 0.03 . 1 . . . . . 790 GLU CB . 27263 1 311 . 1 1 70 70 GLU N N 15 121.8521 0.03 . 1 . . . . . 790 GLU N . 27263 1 312 . 1 1 71 71 THR H H 1 8.2435 0.00 . 1 . . . . . 791 THR HN . 27263 1 313 . 1 1 71 71 THR C C 13 174.9499 0.00 . 1 . . . . . 791 THR CO . 27263 1 314 . 1 1 71 71 THR CA C 13 61.9857 0.03 . 1 . . . . . 791 THR CA . 27263 1 315 . 1 1 71 71 THR CB C 13 69.7731 0.05 . 1 . . . . . 791 THR CB . 27263 1 316 . 1 1 71 71 THR N N 15 114.8827 0.03 . 1 . . . . . 791 THR N . 27263 1 317 . 1 1 72 72 THR H H 1 8.1944 0.00 . 1 . . . . . 792 THR HN . 27263 1 318 . 1 1 72 72 THR C C 13 175.2089 0.02 . 1 . . . . . 792 THR CO . 27263 1 319 . 1 1 72 72 THR CA C 13 62.2212 0.02 . 1 . . . . . 792 THR CA . 27263 1 320 . 1 1 72 72 THR CB C 13 69.8650 0.02 . 1 . . . . . 792 THR CB . 27263 1 321 . 1 1 72 72 THR N N 15 116.0790 0.03 . 1 . . . . . 792 THR N . 27263 1 322 . 1 1 73 73 GLY H H 1 8.4614 0.00 . 1 . . . . . 793 GLY HN . 27263 1 323 . 1 1 73 73 GLY C C 13 174.4304 0.04 . 1 . . . . . 793 GLY CO . 27263 1 324 . 1 1 73 73 GLY CA C 13 45.4936 0.02 . 1 . . . . . 793 GLY CA . 27263 1 325 . 1 1 73 73 GLY N N 15 111.2704 0.05 . 1 . . . . . 793 GLY N . 27263 1 326 . 1 1 74 74 THR H H 1 8.1069 0.00 . 1 . . . . . 794 THR HN . 27263 1 327 . 1 1 74 74 THR C C 13 174.7665 0.01 . 1 . . . . . 794 THR CO . 27263 1 328 . 1 1 74 74 THR CA C 13 61.7580 0.02 . 1 . . . . . 794 THR CA . 27263 1 329 . 1 1 74 74 THR CB C 13 70.0101 0.01 . 1 . . . . . 794 THR CB . 27263 1 330 . 1 1 74 74 THR N N 15 113.3849 0.04 . 1 . . . . . 794 THR N . 27263 1 331 . 1 1 75 75 SER H H 1 8.4283 0.00 . 1 . . . . . 795 SER HN . 27263 1 332 . 1 1 75 75 SER C C 13 174.6050 0.02 . 1 . . . . . 795 SER CO . 27263 1 333 . 1 1 75 75 SER CA C 13 58.4495 0.05 . 1 . . . . . 795 SER CA . 27263 1 334 . 1 1 75 75 SER CB C 13 63.8211 0.03 . 1 . . . . . 795 SER CB . 27263 1 335 . 1 1 75 75 SER N N 15 118.2393 0.04 . 1 . . . . . 795 SER N . 27263 1 336 . 1 1 76 76 GLN H H 1 8.4949 0.00 . 1 . . . . . 796 GLN HN . 27263 1 337 . 1 1 76 76 GLN C C 13 175.9552 0.01 . 1 . . . . . 796 GLN CO . 27263 1 338 . 1 1 76 76 GLN CA C 13 55.9576 0.00 . 1 . . . . . 796 GLN CA . 27263 1 339 . 1 1 76 76 GLN CB C 13 29.4571 0.03 . 1 . . . . . 796 GLN CB . 27263 1 340 . 1 1 76 76 GLN N N 15 122.3098 0.04 . 1 . . . . . 796 GLN N . 27263 1 341 . 1 1 77 77 GLU H H 1 8.4394 0.00 . 1 . . . . . 797 GLU HN . 27263 1 342 . 1 1 77 77 GLU C C 13 176.6258 0.01 . 1 . . . . . 797 GLU CO . 27263 1 343 . 1 1 77 77 GLU CA C 13 56.8139 0.00 . 1 . . . . . 797 GLU CA . 27263 1 344 . 1 1 77 77 GLU CB C 13 30.3732 0.00 . 1 . . . . . 797 GLU CB . 27263 1 345 . 1 1 77 77 GLU N N 15 121.8709 0.03 . 1 . . . . . 797 GLU N . 27263 1 346 . 1 1 78 78 THR H H 1 8.2428 0.00 . 1 . . . . . 798 THR HN . 27263 1 347 . 1 1 78 78 THR C C 13 174.2961 0.00 . 1 . . . . . 798 THR CO . 27263 1 348 . 1 1 78 78 THR CA C 13 62.2933 0.05 . 1 . . . . . 798 THR CA . 27263 1 349 . 1 1 78 78 THR CB C 13 69.7863 0.00 . 1 . . . . . 798 THR CB . 27263 1 350 . 1 1 78 78 THR N N 15 116.1584 0.05 . 1 . . . . . 798 THR N . 27263 1 351 . 1 1 79 79 VAL H H 1 8.1947 0.00 . 1 . . . . . 799 VAL HN . 27263 1 352 . 1 1 79 79 VAL C C 13 175.9286 0.03 . 1 . . . . . 799 VAL CO . 27263 1 353 . 1 1 79 79 VAL CA C 13 62.2712 0.07 . 1 . . . . . 799 VAL CA . 27263 1 354 . 1 1 79 79 VAL CB C 13 32.7455 0.05 . 1 . . . . . 799 VAL CB . 27263 1 355 . 1 1 79 79 VAL N N 15 123.8353 0.02 . 1 . . . . . 799 VAL N . 27263 1 356 . 1 1 80 80 VAL H H 1 8.2907 0.00 . 1 . . . . . 800 VAL HN . 27263 1 357 . 1 1 80 80 VAL C C 13 175.8692 0.05 . 1 . . . . . 800 VAL CO . 27263 1 358 . 1 1 80 80 VAL CA C 13 62.1757 0.02 . 1 . . . . . 800 VAL CA . 27263 1 359 . 1 1 80 80 VAL CB C 13 32.6819 0.06 . 1 . . . . . 800 VAL CB . 27263 1 360 . 1 1 80 80 VAL N N 15 124.8794 0.03 . 1 . . . . . 800 VAL N . 27263 1 361 . 1 1 81 81 SER H H 1 8.4307 0.00 . 1 . . . . . 801 SER HN . 27263 1 362 . 1 1 81 81 SER C C 13 173.0212 0.00 . 1 . . . . . 801 SER CO . 27263 1 363 . 1 1 81 81 SER CA C 13 56.0109 0.00 . 1 . . . . . 801 SER CA . 27263 1 364 . 1 1 81 81 SER CB C 13 63.5284 0.00 . 1 . . . . . 801 SER CB . 27263 1 365 . 1 1 81 81 SER N N 15 121.2310 0.03 . 1 . . . . . 801 SER N . 27263 1 366 . 1 1 82 82 PRO C C 13 176.5250 0.01 . 1 . . . . . 802 PRO CO . 27263 1 367 . 1 1 82 82 PRO CA C 13 63.3822 0.03 . 1 . . . . . 802 PRO CA . 27263 1 368 . 1 1 82 82 PRO CB C 13 31.8834 0.02 . 1 . . . . . 802 PRO CB . 27263 1 369 . 1 1 83 83 TRP H H 1 8.0460 0.00 . 1 . . . . . 803 TRP HN . 27263 1 370 . 1 1 83 83 TRP C C 13 176.2938 0.01 . 1 . . . . . 803 TRP CO . 27263 1 371 . 1 1 83 83 TRP CA C 13 57.3914 0.01 . 1 . . . . . 803 TRP CA . 27263 1 372 . 1 1 83 83 TRP CB C 13 29.2445 0.01 . 1 . . . . . 803 TRP CB . 27263 1 373 . 1 1 83 83 TRP N N 15 120.7324 0.03 . 1 . . . . . 803 TRP N . 27263 1 374 . 1 1 84 84 LYS H H 1 7.9518 0.00 . 1 . . . . . 804 LYS HN . 27263 1 375 . 1 1 84 84 LYS C C 13 176.3153 0.00 . 1 . . . . . 804 LYS CO . 27263 1 376 . 1 1 84 84 LYS CA C 13 56.2089 0.02 . 1 . . . . . 804 LYS CA . 27263 1 377 . 1 1 84 84 LYS CB C 13 33.0741 0.03 . 1 . . . . . 804 LYS CB . 27263 1 378 . 1 1 84 84 LYS N N 15 124.3799 0.03 . 1 . . . . . 804 LYS N . 27263 1 379 . 1 1 85 85 GLY H H 1 7.5120 0.00 . 1 . . . . . 805 GLY HN . 27263 1 380 . 1 1 85 85 GLY C C 13 173.7788 0.01 . 1 . . . . . 805 GLY CO . 27263 1 381 . 1 1 85 85 GLY CA C 13 45.1523 0.03 . 1 . . . . . 805 GLY CA . 27263 1 382 . 1 1 85 85 GLY N N 15 108.9885 0.04 . 1 . . . . . 805 GLY N . 27263 1 383 . 1 1 86 86 SER H H 1 8.1869 0.00 . 1 . . . . . 806 SER HN . 27263 1 384 . 1 1 86 86 SER C C 13 174.8877 0.00 . 1 . . . . . 806 SER CO . 27263 1 385 . 1 1 86 86 SER CA C 13 58.3315 0.04 . 1 . . . . . 806 SER CA . 27263 1 386 . 1 1 86 86 SER CB C 13 64.0241 0.03 . 1 . . . . . 806 SER CB . 27263 1 387 . 1 1 86 86 SER N N 15 115.3273 0.06 . 1 . . . . . 806 SER N . 27263 1 388 . 1 1 87 87 THR H H 1 8.2841 0.00 . 1 . . . . . 807 THR HN . 27263 1 389 . 1 1 87 87 THR C C 13 173.8791 0.00 . 1 . . . . . 807 THR CO . 27263 1 390 . 1 1 87 87 THR CA C 13 61.6878 0.02 . 1 . . . . . 807 THR CA . 27263 1 391 . 1 1 87 87 THR CB C 13 69.8844 0.00 . 1 . . . . . 807 THR CB . 27263 1 392 . 1 1 87 87 THR N N 15 115.3972 0.04 . 1 . . . . . 807 THR N . 27263 1 stop_ save_