data_27532 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27532 _Entry.Title ; Backbone and side chain NMR assignments for the ribosome Binding Factor A (RbfA) from Staphylococcus aureus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-03 _Entry.Accession_date 2018-07-03 _Entry.Last_release_date 2018-07-03 _Entry.Original_release_date 2018-07-03 _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 Konstantin Usachev . S. . . 27532 2 Dmitriy Blokhin . S. . . 27532 3 Aydar Bikmullin . G. . . 27532 4 Liliya Nurullina . I. . . 27532 5 Shamil Validov . Z. . . 27532 6 Natalia Garaeva . S. . . 27532 7 Vladimir Klochkov . V. . . 27532 8 Albert Aganov . V. . . 27532 9 Iskander Khusainov . S.H. . . 27532 10 Marat Yusupov . M. . . 27532 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27532 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laboratory of Structural Biology' . 27532 2 . 'NMR laboratory' . 27532 3 . 'Departement de Biologie et de Genomique Structurales' . 27532 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27532 coupling_constants 1 27532 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 27532 '15N chemical shifts' 102 27532 '1H chemical shifts' 390 27532 'coupling constants' 72 27532 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 . . 2019-04-11 2018-07-03 update BMRB 'update entry citation' 27532 1 . . 2018-10-03 2018-07-03 original author 'original release' 27532 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27532 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30225569 _Citation.Full_citation . _Citation.Title ; Backbone and side chain NMR assignments for the ribosome binding factor A (RbfA) from Staphylococcus aureus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _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 27 _Citation.Page_last 30 _Citation.Year 2019 _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 Dmitriy Blokhin . S. . . 27532 1 2 Aydar Bikmullin . . . . 27532 1 3 Liliya Nurullina . . . . 27532 1 4 Natalia Garaeva . . . . 27532 1 5 Shamil Validov . . . . 27532 1 6 Vladimir Klochkov . . . . 27532 1 7 Albert Aganov . . . . 27532 1 8 Iskander Khusainov . . . . 27532 1 9 Marat Yusupov . . . . 27532 1 10 Konstantin Usachev . . . . 27532 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27532 _Assembly.ID 1 _Assembly.Name RbfA _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 13669.7691 _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 RbfA 1 $RbfA A . yes native no no . . . 27532 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RbfA _Entity.Sf_category entity _Entity.Sf_framecode RbfA _Entity.Entry_ID 27532 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RbfA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSMRAERVGEQMKKELMDI INNKVKDPRVGFITITDVVL TNDLSQAKVFLTVLGNDKEV ENTFKALDKAKGFIKSELGS RMRLRIMPELMYEYDQSIEY GNKIERMIQDLHKQDRVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13669.7691 _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 . GLY . 27532 1 2 . SER . 27532 1 3 . SER . 27532 1 4 . MET . 27532 1 5 . ARG . 27532 1 6 . ALA . 27532 1 7 . GLU . 27532 1 8 . ARG . 27532 1 9 . VAL . 27532 1 10 . GLY . 27532 1 11 . GLU . 27532 1 12 . GLN . 27532 1 13 . MET . 27532 1 14 . LYS . 27532 1 15 . LYS . 27532 1 16 . GLU . 27532 1 17 . LEU . 27532 1 18 . MET . 27532 1 19 . ASP . 27532 1 20 . ILE . 27532 1 21 . ILE . 27532 1 22 . ASN . 27532 1 23 . ASN . 27532 1 24 . LYS . 27532 1 25 . VAL . 27532 1 26 . LYS . 27532 1 27 . ASP . 27532 1 28 . PRO . 27532 1 29 . ARG . 27532 1 30 . VAL . 27532 1 31 . GLY . 27532 1 32 . PHE . 27532 1 33 . ILE . 27532 1 34 . THR . 27532 1 35 . ILE . 27532 1 36 . THR . 27532 1 37 . ASP . 27532 1 38 . VAL . 27532 1 39 . VAL . 27532 1 40 . LEU . 27532 1 41 . THR . 27532 1 42 . ASN . 27532 1 43 . ASP . 27532 1 44 . LEU . 27532 1 45 . SER . 27532 1 46 . GLN . 27532 1 47 . ALA . 27532 1 48 . LYS . 27532 1 49 . VAL . 27532 1 50 . PHE . 27532 1 51 . LEU . 27532 1 52 . THR . 27532 1 53 . VAL . 27532 1 54 . LEU . 27532 1 55 . GLY . 27532 1 56 . ASN . 27532 1 57 . ASP . 27532 1 58 . LYS . 27532 1 59 . GLU . 27532 1 60 . VAL . 27532 1 61 . GLU . 27532 1 62 . ASN . 27532 1 63 . THR . 27532 1 64 . PHE . 27532 1 65 . LYS . 27532 1 66 . ALA . 27532 1 67 . LEU . 27532 1 68 . ASP . 27532 1 69 . LYS . 27532 1 70 . ALA . 27532 1 71 . LYS . 27532 1 72 . GLY . 27532 1 73 . PHE . 27532 1 74 . ILE . 27532 1 75 . LYS . 27532 1 76 . SER . 27532 1 77 . GLU . 27532 1 78 . LEU . 27532 1 79 . GLY . 27532 1 80 . SER . 27532 1 81 . ARG . 27532 1 82 . MET . 27532 1 83 . ARG . 27532 1 84 . LEU . 27532 1 85 . ARG . 27532 1 86 . ILE . 27532 1 87 . MET . 27532 1 88 . PRO . 27532 1 89 . GLU . 27532 1 90 . LEU . 27532 1 91 . MET . 27532 1 92 . TYR . 27532 1 93 . GLU . 27532 1 94 . TYR . 27532 1 95 . ASP . 27532 1 96 . GLN . 27532 1 97 . SER . 27532 1 98 . ILE . 27532 1 99 . GLU . 27532 1 100 . TYR . 27532 1 101 . GLY . 27532 1 102 . ASN . 27532 1 103 . LYS . 27532 1 104 . ILE . 27532 1 105 . GLU . 27532 1 106 . ARG . 27532 1 107 . MET . 27532 1 108 . ILE . 27532 1 109 . GLN . 27532 1 110 . ASP . 27532 1 111 . LEU . 27532 1 112 . HIS . 27532 1 113 . LYS . 27532 1 114 . GLN . 27532 1 115 . ASP . 27532 1 116 . ARG . 27532 1 117 . VAL . 27532 1 118 . GLU . 27532 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 27532 1 . SER 2 2 27532 1 . SER 3 3 27532 1 . MET 4 4 27532 1 . ARG 5 5 27532 1 . ALA 6 6 27532 1 . GLU 7 7 27532 1 . ARG 8 8 27532 1 . VAL 9 9 27532 1 . GLY 10 10 27532 1 . GLU 11 11 27532 1 . GLN 12 12 27532 1 . MET 13 13 27532 1 . LYS 14 14 27532 1 . LYS 15 15 27532 1 . GLU 16 16 27532 1 . LEU 17 17 27532 1 . MET 18 18 27532 1 . ASP 19 19 27532 1 . ILE 20 20 27532 1 . ILE 21 21 27532 1 . ASN 22 22 27532 1 . ASN 23 23 27532 1 . LYS 24 24 27532 1 . VAL 25 25 27532 1 . LYS 26 26 27532 1 . ASP 27 27 27532 1 . PRO 28 28 27532 1 . ARG 29 29 27532 1 . VAL 30 30 27532 1 . GLY 31 31 27532 1 . PHE 32 32 27532 1 . ILE 33 33 27532 1 . THR 34 34 27532 1 . ILE 35 35 27532 1 . THR 36 36 27532 1 . ASP 37 37 27532 1 . VAL 38 38 27532 1 . VAL 39 39 27532 1 . LEU 40 40 27532 1 . THR 41 41 27532 1 . ASN 42 42 27532 1 . ASP 43 43 27532 1 . LEU 44 44 27532 1 . SER 45 45 27532 1 . GLN 46 46 27532 1 . ALA 47 47 27532 1 . LYS 48 48 27532 1 . VAL 49 49 27532 1 . PHE 50 50 27532 1 . LEU 51 51 27532 1 . THR 52 52 27532 1 . VAL 53 53 27532 1 . LEU 54 54 27532 1 . GLY 55 55 27532 1 . ASN 56 56 27532 1 . ASP 57 57 27532 1 . LYS 58 58 27532 1 . GLU 59 59 27532 1 . VAL 60 60 27532 1 . GLU 61 61 27532 1 . ASN 62 62 27532 1 . THR 63 63 27532 1 . PHE 64 64 27532 1 . LYS 65 65 27532 1 . ALA 66 66 27532 1 . LEU 67 67 27532 1 . ASP 68 68 27532 1 . LYS 69 69 27532 1 . ALA 70 70 27532 1 . LYS 71 71 27532 1 . GLY 72 72 27532 1 . PHE 73 73 27532 1 . ILE 74 74 27532 1 . LYS 75 75 27532 1 . SER 76 76 27532 1 . GLU 77 77 27532 1 . LEU 78 78 27532 1 . GLY 79 79 27532 1 . SER 80 80 27532 1 . ARG 81 81 27532 1 . MET 82 82 27532 1 . ARG 83 83 27532 1 . LEU 84 84 27532 1 . ARG 85 85 27532 1 . ILE 86 86 27532 1 . MET 87 87 27532 1 . PRO 88 88 27532 1 . GLU 89 89 27532 1 . LEU 90 90 27532 1 . MET 91 91 27532 1 . TYR 92 92 27532 1 . GLU 93 93 27532 1 . TYR 94 94 27532 1 . ASP 95 95 27532 1 . GLN 96 96 27532 1 . SER 97 97 27532 1 . ILE 98 98 27532 1 . GLU 99 99 27532 1 . TYR 100 100 27532 1 . GLY 101 101 27532 1 . ASN 102 102 27532 1 . LYS 103 103 27532 1 . ILE 104 104 27532 1 . GLU 105 105 27532 1 . ARG 106 106 27532 1 . MET 107 107 27532 1 . ILE 108 108 27532 1 . GLN 109 109 27532 1 . ASP 110 110 27532 1 . LEU 111 111 27532 1 . HIS 112 112 27532 1 . LYS 113 113 27532 1 . GLN 114 114 27532 1 . ASP 115 115 27532 1 . ARG 116 116 27532 1 . VAL 117 117 27532 1 . GLU 118 118 27532 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 27532 _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 $RbfA . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 27532 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 27532 _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 $RbfA . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21star(DE3) . . . . . pET28a . . . 27532 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27532 _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 RbfA '[U-100% 13C; U-100% 15N]' . . 1 $RbfA . . 0.9 . . mM . . . . 27532 1 2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 27532 1 3 NH4Cl 'natural abundance' . . . . . . 250 . . mM . . . . 27532 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 27532 _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' 0.250 . M 27532 1 pH 7.600 . pH 27532 1 pressure 1.000 . atm 27532 1 temperature 308.000 . K 27532 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27532 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27532 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27532 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27532 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 27532 _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 . 700 . . . 27532 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 27532 _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/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 2 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 3 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 8 'HN(CA)CO (H[N[ca[CO]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 9 'CC(CO)NH (HNco_C.relayed)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $CondSet1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27532 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 27532 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27532 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27532 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _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/HMQC' . . . 27532 1 2 '2D 1H-13C HSQC/HMQC' . . . 27532 1 4 '3D HNCA' . . . 27532 1 5 '3D HNCACB' . . . 27532 1 6 '3D CBCA(CO)NH' . . . 27532 1 7 '3D HNCO' . . . 27532 1 8 'HN(CA)CO (H[N[ca[CO]]])' . . . 27532 1 9 'CC(CO)NH (HNco_C.relayed)' . . . 27532 1 10 '3D H(CCO)NH' . . . 27532 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 $CcpNmr_Analysis . . 27532 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 2 2 SER C C 13 173.705 . . 1 . . 818 . . 2 SER C . 27532 1 2 . 1 1 2 2 SER CA C 13 58.092 . . 1 . . 817 . . 2 SER CA . 27532 1 3 . 1 1 2 2 SER CB C 13 64.060 . . 1 . . 816 . . 2 SER CB . 27532 1 4 . 1 1 3 3 SER H H 1 7.929 0.004 . 1 . . 147 . . 3 SER H . 27532 1 5 . 1 1 3 3 SER HA H 1 4.150 0.005 . 1 . . 1084 . . 3 SER HA . 27532 1 6 . 1 1 3 3 SER HB2 H 1 3.720 0.006 . 1 . . 1085 . . 3 SER HB2 . 27532 1 7 . 1 1 3 3 SER C C 13 175.874 . . 1 . . 551 . . 3 SER C . 27532 1 8 . 1 1 3 3 SER CA C 13 60.005 0.005 . 1 . . 317 . . 3 SER CA . 27532 1 9 . 1 1 3 3 SER CB C 13 64.671 0.008 . 1 . . 318 . . 3 SER CB . 27532 1 10 . 1 1 3 3 SER N N 15 122.921 0.025 . 1 . . 148 . . 3 SER N . 27532 1 11 . 1 1 4 4 MET HA H 1 4.453 0.001 . 1 . . 1068 . . 4 MET HA . 27532 1 12 . 1 1 4 4 MET CA C 13 54.380 0.033 . 1 . . 1069 . . 4 MET CA . 27532 1 13 . 1 1 5 5 ARG H H 1 8.065 0.004 . 1 . . 543 . . 5 ARG H . 27532 1 14 . 1 1 5 5 ARG HA H 1 4.249 0.003 . 1 . . 1064 . . 5 ARG HA . 27532 1 15 . 1 1 5 5 ARG HB2 H 1 1.669 0.007 . 2 . . 826 . . 5 ARG HB2 . 27532 1 16 . 1 1 5 5 ARG HB3 H 1 1.480 0.001 . 2 . . 1065 . . 5 ARG HB3 . 27532 1 17 . 1 1 5 5 ARG HD2 H 1 3.067 0.002 . 1 . . 1066 . . 5 ARG HD2 . 27532 1 18 . 1 1 5 5 ARG C C 13 173.897 0.028 . 1 . . 823 . . 5 ARG C . 27532 1 19 . 1 1 5 5 ARG CA C 13 55.857 0.013 . 1 . . 546 . . 5 ARG CA . 27532 1 20 . 1 1 5 5 ARG CB C 13 30.886 0.048 . 1 . . 545 . . 5 ARG CB . 27532 1 21 . 1 1 5 5 ARG CD C 13 43.286 0.0 . 1 . . 1067 . . 5 ARG CD . 27532 1 22 . 1 1 5 5 ARG N N 15 120.983 0.11 . 1 . . 544 . . 5 ARG N . 27532 1 23 . 1 1 6 6 ALA H H 1 7.813 0.004 . 1 . . 517 . . 6 ALA H . 27532 1 24 . 1 1 6 6 ALA HB1 H 1 1.213 0.009 . 1 . . 1071 . . 6 ALA HB1 . 27532 1 25 . 1 1 6 6 ALA HB2 H 1 1.213 0.009 . 1 . . 1071 . . 6 ALA HB2 . 27532 1 26 . 1 1 6 6 ALA HB3 H 1 1.213 0.009 . 1 . . 1071 . . 6 ALA HB3 . 27532 1 27 . 1 1 6 6 ALA C C 13 182.405 . . 1 . . 521 . . 6 ALA C . 27532 1 28 . 1 1 6 6 ALA CA C 13 53.792 0.056 . 1 . . 519 . . 6 ALA CA . 27532 1 29 . 1 1 6 6 ALA CB C 13 19.911 0.004 . 1 . . 520 . . 6 ALA CB . 27532 1 30 . 1 1 6 6 ALA N N 15 130.787 0.025 . 1 . . 518 . . 6 ALA N . 27532 1 31 . 1 1 8 8 ARG H H 1 7.664 . . 1 . . 1101 . . 8 ARG H . 27532 1 32 . 1 1 8 8 ARG C C 13 179.380 . . 1 . . 1099 . . 8 ARG C . 27532 1 33 . 1 1 8 8 ARG CA C 13 58.870 0.006 . 1 . . 1100 . . 8 ARG CA . 27532 1 34 . 1 1 8 8 ARG N N 15 119.200 . . 1 . . 1102 . . 8 ARG N . 27532 1 35 . 1 1 9 9 VAL H H 1 8.350 0.011 . 1 . . 25 . . 9 VAL H . 27532 1 36 . 1 1 9 9 VAL HA H 1 3.656 0.013 . 1 . . 822 . . 9 VAL HA . 27532 1 37 . 1 1 9 9 VAL HB H 1 1.839 0.009 . 1 . . 1072 . . 9 VAL HB . 27532 1 38 . 1 1 9 9 VAL C C 13 178.448 0.019 . 1 . . 819 . . 9 VAL C . 27532 1 39 . 1 1 9 9 VAL CA C 13 66.413 0.07 . 1 . . 820 . . 9 VAL CA . 27532 1 40 . 1 1 9 9 VAL CB C 13 31.153 0.004 . 1 . . 821 . . 9 VAL CB . 27532 1 41 . 1 1 9 9 VAL N N 15 121.119 0.052 . 1 . . 26 . . 9 VAL N . 27532 1 42 . 1 1 10 10 GLY H H 1 8.377 0.016 . 1 . . 103 . . 10 GLY H . 27532 1 43 . 1 1 10 10 GLY HA2 H 1 3.887 0.009 . 2 . . 762 . . 10 GLY HA2 . 27532 1 44 . 1 1 10 10 GLY HA3 H 1 3.429 0.008 . 2 . . 763 . . 10 GLY HA3 . 27532 1 45 . 1 1 10 10 GLY C C 13 175.396 . . 1 . . 468 . . 10 GLY C . 27532 1 46 . 1 1 10 10 GLY CA C 13 47.930 0.025 . 1 . . 297 . . 10 GLY CA . 27532 1 47 . 1 1 10 10 GLY N N 15 108.338 0.111 . 1 . . 104 . . 10 GLY N . 27532 1 48 . 1 1 11 11 GLU H H 1 7.765 0.014 . 1 . . 3 . . 11 GLU H . 27532 1 49 . 1 1 11 11 GLU HA H 1 4.002 0.012 . 1 . . 760 . . 11 GLU HA . 27532 1 50 . 1 1 11 11 GLU HB2 H 1 2.064 0.031 . 2 . . 761 . . 11 GLU HB2 . 27532 1 51 . 1 1 11 11 GLU HB3 H 1 2.326 0.04 . 2 . . 838 . . 11 GLU HB3 . 27532 1 52 . 1 1 11 11 GLU C C 13 179.271 0.016 . 1 . . 374 . . 11 GLU C . 27532 1 53 . 1 1 11 11 GLU CA C 13 59.352 0.012 . 1 . . 255 . . 11 GLU CA . 27532 1 54 . 1 1 11 11 GLU CB C 13 29.400 0.012 . 1 . . 464 . . 11 GLU CB . 27532 1 55 . 1 1 11 11 GLU N N 15 121.337 0.058 . 1 . . 4 . . 11 GLU N . 27532 1 56 . 1 1 12 12 GLN H H 1 7.670 0.006 . 1 . . 185 . . 12 GLN H . 27532 1 57 . 1 1 12 12 GLN HA H 1 4.034 0.017 . 1 . . 758 . . 12 GLN HA . 27532 1 58 . 1 1 12 12 GLN HB2 H 1 2.038 0.027 . 1 . . 759 . . 12 GLN HB2 . 27532 1 59 . 1 1 12 12 GLN HE21 H 1 7.704 0.006 . 1 . . 107 . . 12 GLN HE21 . 27532 1 60 . 1 1 12 12 GLN HE22 H 1 6.728 0.003 . 1 . . 143 . . 12 GLN HE22 . 27532 1 61 . 1 1 12 12 GLN C C 13 178.439 0.001 . 1 . . 467 . . 12 GLN C . 27532 1 62 . 1 1 12 12 GLN CA C 13 58.796 0.015 . 1 . . 342 . . 12 GLN CA . 27532 1 63 . 1 1 12 12 GLN CB C 13 28.061 0.032 . 1 . . 341 . . 12 GLN CB . 27532 1 64 . 1 1 12 12 GLN CG C 13 33.390 0.037 . 1 . . 589 . . 12 GLN CG . 27532 1 65 . 1 1 12 12 GLN CD C 13 179.344 0.007 . 1 . . 590 . . 12 GLN CD . 27532 1 66 . 1 1 12 12 GLN N N 15 119.752 0.053 . 1 . . 186 . . 12 GLN N . 27532 1 67 . 1 1 12 12 GLN NE2 N 15 110.766 0.053 . 1 . . 108 . . 12 GLN NE2 . 27532 1 68 . 1 1 13 13 MET H H 1 8.863 0.007 . 1 . . 11 . . 13 MET H . 27532 1 69 . 1 1 13 13 MET HA H 1 3.773 0.01 . 1 . . 756 . . 13 MET HA . 27532 1 70 . 1 1 13 13 MET HB2 H 1 1.793 0.01 . 1 . . 757 . . 13 MET HB2 . 27532 1 71 . 1 1 13 13 MET C C 13 177.286 0.01 . 1 . . 376 . . 13 MET C . 27532 1 72 . 1 1 13 13 MET CA C 13 60.360 0.016 . 1 . . 258 . . 13 MET CA . 27532 1 73 . 1 1 13 13 MET CB C 13 33.350 0.002 . 1 . . 257 . . 13 MET CB . 27532 1 74 . 1 1 13 13 MET N N 15 118.480 0.07 . 1 . . 12 . . 13 MET N . 27532 1 75 . 1 1 14 14 LYS H H 1 8.235 0.008 . 1 . . 213 . . 14 LYS H . 27532 1 76 . 1 1 14 14 LYS HA H 1 3.529 0.008 . 1 . . 755 . . 14 LYS HA . 27532 1 77 . 1 1 14 14 LYS C C 13 176.585 0.008 . 1 . . 433 . . 14 LYS C . 27532 1 78 . 1 1 14 14 LYS CA C 13 60.714 0.007 . 1 . . 462 . . 14 LYS CA . 27532 1 79 . 1 1 14 14 LYS CB C 13 32.532 . . 1 . . 463 . . 14 LYS CB . 27532 1 80 . 1 1 14 14 LYS N N 15 119.456 0.059 . 1 . . 214 . . 14 LYS N . 27532 1 81 . 1 1 15 15 LYS H H 1 7.051 0.007 . 1 . . 119 . . 15 LYS H . 27532 1 82 . 1 1 15 15 LYS HA H 1 3.926 0.013 . 1 . . 753 . . 15 LYS HA . 27532 1 83 . 1 1 15 15 LYS HB2 H 1 1.903 0.027 . 1 . . 754 . . 15 LYS HB2 . 27532 1 84 . 1 1 15 15 LYS C C 13 180.136 0.0 . 1 . . 402 . . 15 LYS C . 27532 1 85 . 1 1 15 15 LYS CA C 13 59.510 0.011 . 1 . . 301 . . 15 LYS CA . 27532 1 86 . 1 1 15 15 LYS CB C 13 32.508 0.107 . 1 . . 461 . . 15 LYS CB . 27532 1 87 . 1 1 15 15 LYS N N 15 116.901 0.036 . 1 . . 120 . . 15 LYS N . 27532 1 88 . 1 1 16 16 GLU H H 1 8.249 0.013 . 1 . . 109 . . 16 GLU H . 27532 1 89 . 1 1 16 16 GLU HA H 1 4.427 0.011 . 1 . . 751 . . 16 GLU HA . 27532 1 90 . 1 1 16 16 GLU HB2 H 1 1.658 0.032 . 1 . . 752 . . 16 GLU HB2 . 27532 1 91 . 1 1 16 16 GLU C C 13 179.540 0.015 . 1 . . 399 . . 16 GLU C . 27532 1 92 . 1 1 16 16 GLU CA C 13 57.934 0.079 . 1 . . 298 . . 16 GLU CA . 27532 1 93 . 1 1 16 16 GLU CB C 13 29.645 0.003 . 1 . . 299 . . 16 GLU CB . 27532 1 94 . 1 1 16 16 GLU N N 15 117.125 0.07 . 1 . . 110 . . 16 GLU N . 27532 1 95 . 1 1 17 17 LEU H H 1 9.052 0.006 . 1 . . 31 . . 17 LEU H . 27532 1 96 . 1 1 17 17 LEU HA H 1 3.829 0.009 . 1 . . 839 . . 17 LEU HA . 27532 1 97 . 1 1 17 17 LEU HB2 H 1 1.065 0.016 . 1 . . 750 . . 17 LEU HB2 . 27532 1 98 . 1 1 17 17 LEU HD11 H 1 0.691 0.014 . 1 . . 1074 . . 17 LEU HD11 . 27532 1 99 . 1 1 17 17 LEU HD12 H 1 0.691 0.014 . 1 . . 1074 . . 17 LEU HD12 . 27532 1 100 . 1 1 17 17 LEU HD13 H 1 0.691 0.014 . 1 . . 1074 . . 17 LEU HD13 . 27532 1 101 . 1 1 17 17 LEU C C 13 178.742 0.001 . 1 . . 381 . . 17 LEU C . 27532 1 102 . 1 1 17 17 LEU CA C 13 58.088 0.041 . 1 . . 465 . . 17 LEU CA . 27532 1 103 . 1 1 17 17 LEU CB C 13 42.681 0.032 . 1 . . 460 . . 17 LEU CB . 27532 1 104 . 1 1 17 17 LEU N N 15 117.794 0.049 . 1 . . 32 . . 17 LEU N . 27532 1 105 . 1 1 18 18 MET H H 1 7.671 0.006 . 1 . . 99 . . 18 MET H . 27532 1 106 . 1 1 18 18 MET HA H 1 3.905 0.006 . 1 . . 748 . . 18 MET HA . 27532 1 107 . 1 1 18 18 MET HB2 H 1 2.072 0.022 . 1 . . 749 . . 18 MET HB2 . 27532 1 108 . 1 1 18 18 MET C C 13 177.611 0.006 . 1 . . 397 . . 18 MET C . 27532 1 109 . 1 1 18 18 MET CA C 13 59.044 0.011 . 1 . . 295 . . 18 MET CA . 27532 1 110 . 1 1 18 18 MET CB C 13 32.066 0.06 . 1 . . 296 . . 18 MET CB . 27532 1 111 . 1 1 18 18 MET N N 15 117.205 0.051 . 1 . . 100 . . 18 MET N . 27532 1 112 . 1 1 19 19 ASP H H 1 7.093 0.009 . 1 . . 21 . . 19 ASP H . 27532 1 113 . 1 1 19 19 ASP HA H 1 4.399 0.011 . 1 . . 747 . . 19 ASP HA . 27532 1 114 . 1 1 19 19 ASP HB2 H 1 2.783 0.022 . 1 . . 840 . . 19 ASP HB2 . 27532 1 115 . 1 1 19 19 ASP C C 13 178.085 0.014 . 1 . . 378 . . 19 ASP C . 27532 1 116 . 1 1 19 19 ASP CA C 13 57.350 0.056 . 1 . . 264 . . 19 ASP CA . 27532 1 117 . 1 1 19 19 ASP CB C 13 42.587 0.043 . 1 . . 263 . . 19 ASP CB . 27532 1 118 . 1 1 19 19 ASP N N 15 117.951 0.077 . 1 . . 22 . . 19 ASP N . 27532 1 119 . 1 1 20 20 ILE H H 1 8.740 0.009 . 1 . . 15 . . 20 ILE H . 27532 1 120 . 1 1 20 20 ILE HA H 1 3.329 0.006 . 1 . . 949 . . 20 ILE HA . 27532 1 121 . 1 1 20 20 ILE C C 13 178.459 0.021 . 1 . . 377 . . 20 ILE C . 27532 1 122 . 1 1 20 20 ILE CA C 13 65.593 0.069 . 1 . . 261 . . 20 ILE CA . 27532 1 123 . 1 1 20 20 ILE CB C 13 39.255 0.026 . 1 . . 262 . . 20 ILE CB . 27532 1 124 . 1 1 20 20 ILE N N 15 118.521 0.074 . 1 . . 16 . . 20 ILE N . 27532 1 125 . 1 1 21 21 ILE H H 1 8.797 0.01 . 1 . . 49 . . 21 ILE H . 27532 1 126 . 1 1 21 21 ILE C C 13 176.400 0.033 . 1 . . 385 . . 21 ILE C . 27532 1 127 . 1 1 21 21 ILE CA C 13 66.108 0.052 . 1 . . 276 . . 21 ILE CA . 27532 1 128 . 1 1 21 21 ILE CB C 13 37.728 . . 1 . . 277 . . 21 ILE CB . 27532 1 129 . 1 1 21 21 ILE N N 15 117.602 0.072 . 1 . . 50 . . 21 ILE N . 27532 1 130 . 1 1 22 22 ASN H H 1 7.519 0.014 . 1 . . 139 . . 22 ASN H . 27532 1 131 . 1 1 22 22 ASN HA H 1 4.430 0.012 . 1 . . 745 . . 22 ASN HA . 27532 1 132 . 1 1 22 22 ASN HB2 H 1 2.493 0.018 . 1 . . 746 . . 22 ASN HB2 . 27532 1 133 . 1 1 22 22 ASN HD21 H 1 8.142 0.014 . 1 . . 33 . . 22 ASN HD21 . 27532 1 134 . 1 1 22 22 ASN HD22 H 1 6.922 0.009 . 1 . . 79 . . 22 ASN HD22 . 27532 1 135 . 1 1 22 22 ASN C C 13 176.589 0.024 . 1 . . 459 . . 22 ASN C . 27532 1 136 . 1 1 22 22 ASN CA C 13 56.001 0.012 . 1 . . 458 . . 22 ASN CA . 27532 1 137 . 1 1 22 22 ASN CB C 13 38.865 0.052 . 1 . . 457 . . 22 ASN CB . 27532 1 138 . 1 1 22 22 ASN CG C 13 176.915 . . 1 . . 942 . . 22 ASN CG . 27532 1 139 . 1 1 22 22 ASN N N 15 112.347 0.071 . 1 . . 140 . . 22 ASN N . 27532 1 140 . 1 1 22 22 ASN ND2 N 15 116.164 0.125 . 1 . . 80 . . 22 ASN ND2 . 27532 1 141 . 1 1 23 23 ASN H H 1 8.005 0.011 . 1 . . 235 . . 23 ASN H . 27532 1 142 . 1 1 23 23 ASN HA H 1 4.979 0.009 . 1 . . 743 . . 23 ASN HA . 27532 1 143 . 1 1 23 23 ASN HB2 H 1 2.615 0.02 . 2 . . 744 . . 23 ASN HB2 . 27532 1 144 . 1 1 23 23 ASN HB3 H 1 2.925 0.016 . 2 . . 841 . . 23 ASN HB3 . 27532 1 145 . 1 1 23 23 ASN HD21 H 1 6.928 0.013 . 1 . . 47 . . 23 ASN HD21 . 27532 1 146 . 1 1 23 23 ASN HD22 H 1 8.141 0.013 . 1 . . 153 . . 23 ASN HD22 . 27532 1 147 . 1 1 23 23 ASN C C 13 175.994 0.006 . 1 . . 436 . . 23 ASN C . 27532 1 148 . 1 1 23 23 ASN CA C 13 54.338 0.027 . 1 . . 361 . . 23 ASN CA . 27532 1 149 . 1 1 23 23 ASN CB C 13 40.301 0.015 . 1 . . 362 . . 23 ASN CB . 27532 1 150 . 1 1 23 23 ASN CG C 13 176.856 0.014 . 1 . . 941 . . 23 ASN CG . 27532 1 151 . 1 1 23 23 ASN N N 15 112.409 0.042 . 1 . . 236 . . 23 ASN N . 27532 1 152 . 1 1 23 23 ASN ND2 N 15 115.815 0.144 . 1 . . 154 . . 23 ASN ND2 . 27532 1 153 . 1 1 24 24 LYS H H 1 7.855 0.009 . 1 . . 141 . . 24 LYS H . 27532 1 154 . 1 1 24 24 LYS HA H 1 4.565 0.007 . 1 . . 741 . . 24 LYS HA . 27532 1 155 . 1 1 24 24 LYS HB2 H 1 1.962 0.016 . 2 . . 742 . . 24 LYS HB2 . 27532 1 156 . 1 1 24 24 LYS HB3 H 1 2.235 0.0 . 2 . . 842 . . 24 LYS HB3 . 27532 1 157 . 1 1 24 24 LYS C C 13 176.430 0.024 . 1 . . 406 . . 24 LYS C . 27532 1 158 . 1 1 24 24 LYS CA C 13 55.985 0.029 . 1 . . 313 . . 24 LYS CA . 27532 1 159 . 1 1 24 24 LYS CB C 13 33.304 0.041 . 1 . . 314 . . 24 LYS CB . 27532 1 160 . 1 1 24 24 LYS CG C 13 24.729 . . 1 . . 739 . . 24 LYS CG . 27532 1 161 . 1 1 24 24 LYS N N 15 116.396 0.04 . 1 . . 142 . . 24 LYS N . 27532 1 162 . 1 1 25 25 VAL H H 1 7.390 0.007 . 1 . . 157 . . 25 VAL H . 27532 1 163 . 1 1 25 25 VAL HA H 1 3.664 0.012 . 1 . . 740 . . 25 VAL HA . 27532 1 164 . 1 1 25 25 VAL HB H 1 2.355 0.005 . 1 . . 843 . . 25 VAL HB . 27532 1 165 . 1 1 25 25 VAL HG11 H 1 0.737 0.008 . 2 . . 1075 . . 25 VAL HG11 . 27532 1 166 . 1 1 25 25 VAL HG12 H 1 0.737 0.008 . 2 . . 1075 . . 25 VAL HG12 . 27532 1 167 . 1 1 25 25 VAL HG13 H 1 0.737 0.008 . 2 . . 1075 . . 25 VAL HG13 . 27532 1 168 . 1 1 25 25 VAL HG21 H 1 0.888 0.005 . 2 . . 1076 . . 25 VAL HG21 . 27532 1 169 . 1 1 25 25 VAL HG22 H 1 0.888 0.005 . 2 . . 1076 . . 25 VAL HG22 . 27532 1 170 . 1 1 25 25 VAL HG23 H 1 0.888 0.005 . 2 . . 1076 . . 25 VAL HG23 . 27532 1 171 . 1 1 25 25 VAL C C 13 175.384 . . 1 . . 412 . . 25 VAL C . 27532 1 172 . 1 1 25 25 VAL CA C 13 63.662 0.005 . 1 . . 324 . . 25 VAL CA . 27532 1 173 . 1 1 25 25 VAL CB C 13 31.304 0.02 . 1 . . 325 . . 25 VAL CB . 27532 1 174 . 1 1 25 25 VAL N N 15 119.935 0.029 . 1 . . 158 . . 25 VAL N . 27532 1 175 . 1 1 28 28 PRO HA H 1 4.282 0.008 . 1 . . 737 . . 28 PRO HA . 27532 1 176 . 1 1 28 28 PRO HB2 H 1 2.260 0.005 . 1 . . 738 . . 28 PRO HB2 . 27532 1 177 . 1 1 28 28 PRO C C 13 177.332 . . 1 . . 491 . . 28 PRO C . 27532 1 178 . 1 1 28 28 PRO CA C 13 64.110 0.044 . 1 . . 489 . . 28 PRO CA . 27532 1 179 . 1 1 28 28 PRO CB C 13 32.013 0.0 . 1 . . 490 . . 28 PRO CB . 27532 1 180 . 1 1 28 28 PRO CG C 13 27.054 . . 1 . . 736 . . 28 PRO CG . 27532 1 181 . 1 1 29 29 ARG H H 1 8.535 0.004 . 1 . . 127 . . 29 ARG H . 27532 1 182 . 1 1 29 29 ARG HA H 1 3.993 0.005 . 1 . . 734 . . 29 ARG HA . 27532 1 183 . 1 1 29 29 ARG HB2 H 1 1.613 0.009 . 2 . . 735 . . 29 ARG HB2 . 27532 1 184 . 1 1 29 29 ARG HB3 H 1 1.914 0.0 . 2 . . 844 . . 29 ARG HB3 . 27532 1 185 . 1 1 29 29 ARG HD2 H 1 2.931 0.002 . 1 . . 947 . . 29 ARG HD2 . 27532 1 186 . 1 1 29 29 ARG HE H 1 7.699 0.007 . 1 . . 23 . . 29 ARG HE . 27532 1 187 . 1 1 29 29 ARG HH11 H 1 6.725 0.004 . 1 . . 948 . . 29 ARG HH11 . 27532 1 188 . 1 1 29 29 ARG C C 13 176.633 0.013 . 1 . . 404 . . 29 ARG C . 27532 1 189 . 1 1 29 29 ARG CA C 13 56.816 0.043 . 1 . . 305 . . 29 ARG CA . 27532 1 190 . 1 1 29 29 ARG CB C 13 30.585 0.03 . 1 . . 304 . . 29 ARG CB . 27532 1 191 . 1 1 29 29 ARG N N 15 116.821 0.04 . 1 . . 128 . . 29 ARG N . 27532 1 192 . 1 1 29 29 ARG NE N 15 111.602 0.195 . 1 . . 24 . . 29 ARG NE . 27532 1 193 . 1 1 30 30 VAL H H 1 7.443 0.007 . 1 . . 73 . . 30 VAL H . 27532 1 194 . 1 1 30 30 VAL HA H 1 3.718 0.01 . 1 . . 732 . . 30 VAL HA . 27532 1 195 . 1 1 30 30 VAL HB H 1 2.001 0.027 . 1 . . 733 . . 30 VAL HB . 27532 1 196 . 1 1 30 30 VAL HG11 H 1 0.770 0.007 . 1 . . 845 . . 30 VAL HG11 . 27532 1 197 . 1 1 30 30 VAL HG12 H 1 0.770 0.007 . 1 . . 845 . . 30 VAL HG12 . 27532 1 198 . 1 1 30 30 VAL HG13 H 1 0.770 0.007 . 1 . . 845 . . 30 VAL HG13 . 27532 1 199 . 1 1 30 30 VAL C C 13 175.658 0.008 . 1 . . 393 . . 30 VAL C . 27532 1 200 . 1 1 30 30 VAL CA C 13 63.322 0.056 . 1 . . 284 . . 30 VAL CA . 27532 1 201 . 1 1 30 30 VAL CB C 13 31.917 0.047 . 1 . . 285 . . 30 VAL CB . 27532 1 202 . 1 1 30 30 VAL CG1 C 13 21.806 . . 1 . . 731 . . 30 VAL CG1 . 27532 1 203 . 1 1 30 30 VAL N N 15 117.585 0.03 . 1 . . 74 . . 30 VAL N . 27532 1 204 . 1 1 31 31 GLY H H 1 7.878 0.004 . 1 . . 29 . . 31 GLY H . 27532 1 205 . 1 1 31 31 GLY HA2 H 1 3.523 0.005 . 2 . . 729 . . 31 GLY HA2 . 27532 1 206 . 1 1 31 31 GLY HA3 H 1 3.921 0.013 . 2 . . 730 . . 31 GLY HA3 . 27532 1 207 . 1 1 31 31 GLY C C 13 172.363 0.014 . 1 . . 380 . . 31 GLY C . 27532 1 208 . 1 1 31 31 GLY CA C 13 44.555 0.029 . 1 . . 266 . . 31 GLY CA . 27532 1 209 . 1 1 31 31 GLY N N 15 111.589 0.03 . 1 . . 30 . . 31 GLY N . 27532 1 210 . 1 1 32 32 PHE H H 1 8.104 0.004 . 1 . . 129 . . 32 PHE H . 27532 1 211 . 1 1 32 32 PHE HA H 1 4.317 0.006 . 1 . . 727 . . 32 PHE HA . 27532 1 212 . 1 1 32 32 PHE HB2 H 1 2.888 0.01 . 2 . . 728 . . 32 PHE HB2 . 27532 1 213 . 1 1 32 32 PHE HB3 H 1 2.980 0.0 . 2 . . 846 . . 32 PHE HB3 . 27532 1 214 . 1 1 32 32 PHE C C 13 175.690 0.011 . 1 . . 486 . . 32 PHE C . 27532 1 215 . 1 1 32 32 PHE CA C 13 58.672 0.028 . 1 . . 307 . . 32 PHE CA . 27532 1 216 . 1 1 32 32 PHE CB C 13 39.305 0.019 . 1 . . 306 . . 32 PHE CB . 27532 1 217 . 1 1 32 32 PHE N N 15 120.030 0.059 . 1 . . 130 . . 32 PHE N . 27532 1 218 . 1 1 33 33 ILE H H 1 8.354 0.01 . 1 . . 41 . . 33 ILE H . 27532 1 219 . 1 1 33 33 ILE HA H 1 4.491 0.01 . 1 . . 725 . . 33 ILE HA . 27532 1 220 . 1 1 33 33 ILE HB H 1 1.546 0.02 . 1 . . 726 . . 33 ILE HB . 27532 1 221 . 1 1 33 33 ILE C C 13 174.824 0.013 . 1 . . 383 . . 33 ILE C . 27532 1 222 . 1 1 33 33 ILE CA C 13 60.006 0.04 . 1 . . 269 . . 33 ILE CA . 27532 1 223 . 1 1 33 33 ILE CB C 13 40.417 0.005 . 1 . . 268 . . 33 ILE CB . 27532 1 224 . 1 1 33 33 ILE CG2 C 13 18.912 . . 1 . . 724 . . 33 ILE CG2 . 27532 1 225 . 1 1 33 33 ILE N N 15 127.358 0.168 . 1 . . 42 . . 33 ILE N . 27532 1 226 . 1 1 34 34 THR H H 1 8.170 0.01 . 1 . . 111 . . 34 THR H . 27532 1 227 . 1 1 34 34 THR HA H 1 4.210 0.015 . 1 . . 722 . . 34 THR HA . 27532 1 228 . 1 1 34 34 THR HB H 1 3.893 0.01 . 1 . . 723 . . 34 THR HB . 27532 1 229 . 1 1 34 34 THR HG21 H 1 0.940 0.016 . 1 . . 1077 . . 34 THR HG1 . 27532 1 230 . 1 1 34 34 THR HG22 H 1 0.940 0.016 . 1 . . 1077 . . 34 THR HG1 . 27532 1 231 . 1 1 34 34 THR HG23 H 1 0.940 0.016 . 1 . . 1077 . . 34 THR HG1 . 27532 1 232 . 1 1 34 34 THR C C 13 173.294 0.012 . 1 . . 400 . . 34 THR C . 27532 1 233 . 1 1 34 34 THR CA C 13 62.157 0.072 . 1 . . 300 . . 34 THR CA . 27532 1 234 . 1 1 34 34 THR CB C 13 70.245 0.041 . 1 . . 487 . . 34 THR CB . 27532 1 235 . 1 1 34 34 THR N N 15 120.299 0.087 . 1 . . 112 . . 34 THR N . 27532 1 236 . 1 1 35 35 ILE H H 1 7.907 0.007 . 1 . . 117 . . 35 ILE H . 27532 1 237 . 1 1 35 35 ILE HA H 1 4.528 0.018 . 1 . . 720 . . 35 ILE HA . 27532 1 238 . 1 1 35 35 ILE HB H 1 1.679 0.022 . 1 . . 721 . . 35 ILE HB . 27532 1 239 . 1 1 35 35 ILE C C 13 175.638 0.002 . 1 . . 492 . . 35 ILE C . 27532 1 240 . 1 1 35 35 ILE CA C 13 59.846 0.054 . 1 . . 328 . . 35 ILE CA . 27532 1 241 . 1 1 35 35 ILE CB C 13 37.227 0.075 . 1 . . 493 . . 35 ILE CB . 27532 1 242 . 1 1 35 35 ILE CG2 C 13 18.542 . . 1 . . 719 . . 35 ILE CG2 . 27532 1 243 . 1 1 35 35 ILE N N 15 127.432 0.124 . 1 . . 118 . . 35 ILE N . 27532 1 244 . 1 1 36 36 THR H H 1 8.948 0.01 . 1 . . 63 . . 36 THR H . 27532 1 245 . 1 1 36 36 THR HA H 1 4.079 0.01 . 1 . . 716 . . 36 THR HA . 27532 1 246 . 1 1 36 36 THR HB H 1 3.980 0.018 . 1 . . 717 . . 36 THR HB . 27532 1 247 . 1 1 36 36 THR HG21 H 1 0.956 0.009 . 1 . . 849 . . 36 THR HG21 . 27532 1 248 . 1 1 36 36 THR HG22 H 1 0.956 0.009 . 1 . . 849 . . 36 THR HG22 . 27532 1 249 . 1 1 36 36 THR HG23 H 1 0.956 0.009 . 1 . . 849 . . 36 THR HG23 . 27532 1 250 . 1 1 36 36 THR C C 13 176.005 0.009 . 1 . . 391 . . 36 THR C . 27532 1 251 . 1 1 36 36 THR CA C 13 62.663 0.012 . 1 . . 280 . . 36 THR CA . 27532 1 252 . 1 1 36 36 THR CB C 13 68.012 0.062 . 1 . . 279 . . 36 THR CB . 27532 1 253 . 1 1 36 36 THR CG2 C 13 23.027 0.015 . 1 . . 718 . . 36 THR CG2 . 27532 1 254 . 1 1 36 36 THR N N 15 120.800 0.047 . 1 . . 64 . . 36 THR N . 27532 1 255 . 1 1 37 37 ASP H H 1 7.567 0.005 . 1 . . 179 . . 37 ASP H . 27532 1 256 . 1 1 37 37 ASP HA H 1 4.683 0.008 . 1 . . 715 . . 37 ASP HA . 27532 1 257 . 1 1 37 37 ASP HB2 H 1 2.454 0.021 . 2 . . 713 . . 37 ASP HB2 . 27532 1 258 . 1 1 37 37 ASP HB3 H 1 2.231 0.014 . 2 . . 714 . . 37 ASP HB3 . 27532 1 259 . 1 1 37 37 ASP C C 13 173.814 0.003 . 1 . . 419 . . 37 ASP C . 27532 1 260 . 1 1 37 37 ASP CA C 13 54.298 0.025 . 1 . . 340 . . 37 ASP CA . 27532 1 261 . 1 1 37 37 ASP CB C 13 44.497 0.029 . 1 . . 339 . . 37 ASP CB . 27532 1 262 . 1 1 37 37 ASP N N 15 119.790 0.025 . 1 . . 180 . . 37 ASP N . 27532 1 263 . 1 1 38 38 VAL H H 1 8.365 0.01 . 1 . . 245 . . 38 VAL H . 27532 1 264 . 1 1 38 38 VAL HA H 1 4.812 0.009 . 1 . . 712 . . 38 VAL HA . 27532 1 265 . 1 1 38 38 VAL HB H 1 2.035 0.003 . 1 . . 851 . . 38 VAL HB . 27532 1 266 . 1 1 38 38 VAL HG11 H 1 0.728 0.007 . 1 . . 1073 . . 38 VAL HG11 . 27532 1 267 . 1 1 38 38 VAL HG12 H 1 0.728 0.007 . 1 . . 1073 . . 38 VAL HG12 . 27532 1 268 . 1 1 38 38 VAL HG13 H 1 0.728 0.007 . 1 . . 1073 . . 38 VAL HG13 . 27532 1 269 . 1 1 38 38 VAL C C 13 174.233 0.022 . 1 . . 439 . . 38 VAL C . 27532 1 270 . 1 1 38 38 VAL CA C 13 61.799 0.027 . 1 . . 371 . . 38 VAL CA . 27532 1 271 . 1 1 38 38 VAL CB C 13 33.895 0.036 . 1 . . 372 . . 38 VAL CB . 27532 1 272 . 1 1 38 38 VAL CG1 C 13 22.054 0.012 . 1 . . 710 . . 38 VAL CG1 . 27532 1 273 . 1 1 38 38 VAL N N 15 122.011 0.101 . 1 . . 246 . . 38 VAL N . 27532 1 274 . 1 1 39 39 VAL H H 1 9.092 0.005 . 1 . . 131 . . 39 VAL H . 27532 1 275 . 1 1 39 39 VAL HA H 1 4.215 0.01 . 1 . . 711 . . 39 VAL HA . 27532 1 276 . 1 1 39 39 VAL HB H 1 1.957 0.01 . 1 . . 852 . . 39 VAL HB . 27532 1 277 . 1 1 39 39 VAL HG11 H 1 0.804 0.007 . 1 . . 853 . . 39 VAL HG11 . 27532 1 278 . 1 1 39 39 VAL HG12 H 1 0.804 0.007 . 1 . . 853 . . 39 VAL HG12 . 27532 1 279 . 1 1 39 39 VAL HG13 H 1 0.804 0.007 . 1 . . 853 . . 39 VAL HG13 . 27532 1 280 . 1 1 39 39 VAL C C 13 175.682 0.006 . 1 . . 516 . . 39 VAL C . 27532 1 281 . 1 1 39 39 VAL CA C 13 61.384 0.02 . 1 . . 309 . . 39 VAL CA . 27532 1 282 . 1 1 39 39 VAL CB C 13 33.925 0.056 . 1 . . 308 . . 39 VAL CB . 27532 1 283 . 1 1 39 39 VAL CG1 C 13 21.086 0.011 . 1 . . 709 . . 39 VAL CG1 . 27532 1 284 . 1 1 39 39 VAL N N 15 127.054 0.045 . 1 . . 132 . . 39 VAL N . 27532 1 285 . 1 1 40 40 LEU H H 1 8.933 0.005 . 1 . . 201 . . 40 LEU H . 27532 1 286 . 1 1 40 40 LEU HA H 1 5.250 0.008 . 1 . . 708 . . 40 LEU HA . 27532 1 287 . 1 1 40 40 LEU HB2 H 1 1.520 0.014 . 1 . . 707 . . 40 LEU HB2 . 27532 1 288 . 1 1 40 40 LEU C C 13 177.655 0.014 . 1 . . 430 . . 40 LEU C . 27532 1 289 . 1 1 40 40 LEU CA C 13 54.050 0.046 . 1 . . 351 . . 40 LEU CA . 27532 1 290 . 1 1 40 40 LEU CB C 13 44.254 0.001 . 1 . . 352 . . 40 LEU CB . 27532 1 291 . 1 1 40 40 LEU N N 15 131.706 0.035 . 1 . . 202 . . 40 LEU N . 27532 1 292 . 1 1 41 41 THR H H 1 7.930 0.005 . 1 . . 173 . . 41 THR H . 27532 1 293 . 1 1 41 41 THR HA H 1 4.188 0.007 . 1 . . 855 . . 41 THR HA . 27532 1 294 . 1 1 41 41 THR HB H 1 4.475 0.015 . 1 . . 856 . . 41 THR HB . 27532 1 295 . 1 1 41 41 THR HG21 H 1 1.586 . . 1 . . 854 . . 41 THR HG1 . 27532 1 296 . 1 1 41 41 THR HG22 H 1 1.586 . . 1 . . 854 . . 41 THR HG1 . 27532 1 297 . 1 1 41 41 THR HG23 H 1 1.586 . . 1 . . 854 . . 41 THR HG1 . 27532 1 298 . 1 1 41 41 THR C C 13 176.118 . . 1 . . 936 . . 41 THR C . 27532 1 299 . 1 1 41 41 THR CA C 13 61.385 0.02 . 1 . . 335 . . 41 THR CA . 27532 1 300 . 1 1 41 41 THR CB C 13 70.261 0.012 . 1 . . 857 . . 41 THR CB . 27532 1 301 . 1 1 41 41 THR N N 15 110.390 0.017 . 1 . . 174 . . 41 THR N . 27532 1 302 . 1 1 42 42 ASN C C 13 176.262 . . 1 . . 940 . . 42 ASN C . 27532 1 303 . 1 1 42 42 ASN CA C 13 54.715 . . 1 . . 1112 . . 42 ASN CA . 27532 1 304 . 1 1 42 42 ASN CB C 13 40.736 . . 1 . . 939 . . 42 ASN CB . 27532 1 305 . 1 1 43 43 ASP H H 1 7.940 0.012 . 1 . . 83 . . 43 ASP H . 27532 1 306 . 1 1 43 43 ASP HA H 1 4.095 0.028 . 1 . . 933 . . 43 ASP HA . 27532 1 307 . 1 1 43 43 ASP C C 13 175.925 0.082 . 1 . . 932 . . 43 ASP C . 27532 1 308 . 1 1 43 43 ASP CA C 13 56.040 0.033 . 1 . . 931 . . 43 ASP CA . 27532 1 309 . 1 1 43 43 ASP CB C 13 42.011 . . 1 . . 289 . . 43 ASP CB . 27532 1 310 . 1 1 43 43 ASP N N 15 121.973 0.128 . 1 . . 84 . . 43 ASP N . 27532 1 311 . 1 1 44 44 LEU H H 1 8.181 0.009 . 1 . . 167 . . 44 LEU H . 27532 1 312 . 1 1 44 44 LEU HA H 1 3.586 0.014 . 1 . . 858 . . 44 LEU HA . 27532 1 313 . 1 1 44 44 LEU C C 13 175.156 0.014 . 1 . . 475 . . 44 LEU C . 27532 1 314 . 1 1 44 44 LEU CA C 13 56.395 0.061 . 1 . . 474 . . 44 LEU CA . 27532 1 315 . 1 1 44 44 LEU CB C 13 38.465 0.07 . 1 . . 473 . . 44 LEU CB . 27532 1 316 . 1 1 44 44 LEU N N 15 114.172 0.072 . 1 . . 168 . . 44 LEU N . 27532 1 317 . 1 1 45 45 SER H H 1 7.794 0.007 . 1 . . 125 . . 45 SER H . 27532 1 318 . 1 1 45 45 SER HA H 1 4.019 0.011 . 1 . . 705 . . 45 SER HA . 27532 1 319 . 1 1 45 45 SER HB2 H 1 3.752 0.002 . 1 . . 706 . . 45 SER HB2 . 27532 1 320 . 1 1 45 45 SER C C 13 175.572 . . 1 . . 1103 . . 45 SER C . 27532 1 321 . 1 1 45 45 SER CA C 13 60.406 0.099 . 1 . . 303 . . 45 SER CA . 27532 1 322 . 1 1 45 45 SER CB C 13 63.757 0.091 . 1 . . 302 . . 45 SER CB . 27532 1 323 . 1 1 45 45 SER N N 15 110.758 0.031 . 1 . . 126 . . 45 SER N . 27532 1 324 . 1 1 46 46 GLN H H 1 7.471 0.009 . 1 . . 13 . . 46 GLN H . 27532 1 325 . 1 1 46 46 GLN HA H 1 4.773 0.03 . 1 . . 703 . . 46 GLN HA . 27532 1 326 . 1 1 46 46 GLN HB2 H 1 1.823 0.015 . 1 . . 704 . . 46 GLN HB2 . 27532 1 327 . 1 1 46 46 GLN HG2 H 1 2.058 0.006 . 2 . . 863 . . 46 GLN HG2 . 27532 1 328 . 1 1 46 46 GLN HG3 H 1 2.162 0.007 . 2 . . 864 . . 46 GLN HG3 . 27532 1 329 . 1 1 46 46 GLN HE21 H 1 7.325 0.003 . 1 . . 97 . . 46 GLN HE21 . 27532 1 330 . 1 1 46 46 GLN HE22 H 1 6.588 0.004 . 1 . . 105 . . 46 GLN HE22 . 27532 1 331 . 1 1 46 46 GLN C C 13 172.730 0.009 . 1 . . 471 . . 46 GLN C . 27532 1 332 . 1 1 46 46 GLN CA C 13 55.012 0.039 . 1 . . 259 . . 46 GLN CA . 27532 1 333 . 1 1 46 46 GLN CB C 13 32.746 0.011 . 1 . . 260 . . 46 GLN CB . 27532 1 334 . 1 1 46 46 GLN CG C 13 34.028 0.009 . 1 . . 591 . . 46 GLN CG . 27532 1 335 . 1 1 46 46 GLN CD C 13 179.950 0.012 . 1 . . 592 . . 46 GLN CD . 27532 1 336 . 1 1 46 46 GLN N N 15 121.226 0.085 . 1 . . 14 . . 46 GLN N . 27532 1 337 . 1 1 46 46 GLN NE2 N 15 111.035 0.038 . 1 . . 98 . . 46 GLN NE2 . 27532 1 338 . 1 1 47 47 ALA H H 1 8.756 0.009 . 1 . . 149 . . 47 ALA H . 27532 1 339 . 1 1 47 47 ALA HA H 1 4.908 0.004 . 1 . . 701 . . 47 ALA HA . 27532 1 340 . 1 1 47 47 ALA HB1 H 1 0.780 0.019 . 1 . . 702 . . 47 ALA HB1 . 27532 1 341 . 1 1 47 47 ALA HB2 H 1 0.780 0.019 . 1 . . 702 . . 47 ALA HB2 . 27532 1 342 . 1 1 47 47 ALA HB3 H 1 0.780 0.019 . 1 . . 702 . . 47 ALA HB3 . 27532 1 343 . 1 1 47 47 ALA C C 13 174.345 0.003 . 1 . . 410 . . 47 ALA C . 27532 1 344 . 1 1 47 47 ALA CA C 13 50.121 0.026 . 1 . . 320 . . 47 ALA CA . 27532 1 345 . 1 1 47 47 ALA CB C 13 21.879 0.033 . 1 . . 319 . . 47 ALA CB . 27532 1 346 . 1 1 47 47 ALA N N 15 124.243 0.058 . 1 . . 150 . . 47 ALA N . 27532 1 347 . 1 1 48 48 LYS H H 1 8.675 0.003 . 1 . . 161 . . 48 LYS H . 27532 1 348 . 1 1 48 48 LYS HA H 1 4.430 0.011 . 1 . . 700 . . 48 LYS HA . 27532 1 349 . 1 1 48 48 LYS HB2 H 1 1.921 0.001 . 1 . . 860 . . 48 LYS HB2 . 27532 1 350 . 1 1 48 48 LYS HG2 H 1 1.296 0.011 . 1 . . 861 . . 48 LYS HG2 . 27532 1 351 . 1 1 48 48 LYS HD2 H 1 1.484 0.005 . 1 . . 862 . . 48 LYS HD2 . 27532 1 352 . 1 1 48 48 LYS C C 13 173.840 0.01 . 1 . . 414 . . 48 LYS C . 27532 1 353 . 1 1 48 48 LYS CA C 13 54.987 0.037 . 1 . . 327 . . 48 LYS CA . 27532 1 354 . 1 1 48 48 LYS CB C 13 33.151 0.008 . 1 . . 859 . . 48 LYS CB . 27532 1 355 . 1 1 48 48 LYS N N 15 123.957 0.039 . 1 . . 162 . . 48 LYS N . 27532 1 356 . 1 1 49 49 VAL H H 1 8.691 0.009 . 1 . . 39 . . 49 VAL H . 27532 1 357 . 1 1 49 49 VAL HA H 1 4.046 0.016 . 1 . . 699 . . 49 VAL HA . 27532 1 358 . 1 1 49 49 VAL HB H 1 1.830 0.001 . 1 . . 865 . . 49 VAL HB . 27532 1 359 . 1 1 49 49 VAL HG11 H 1 0.429 0.007 . 1 . . 866 . . 49 VAL HG11 . 27532 1 360 . 1 1 49 49 VAL HG12 H 1 0.429 0.007 . 1 . . 866 . . 49 VAL HG12 . 27532 1 361 . 1 1 49 49 VAL HG13 H 1 0.429 0.007 . 1 . . 866 . . 49 VAL HG13 . 27532 1 362 . 1 1 49 49 VAL C C 13 173.870 0.014 . 1 . . 438 . . 49 VAL C . 27532 1 363 . 1 1 49 49 VAL CA C 13 61.417 0.048 . 1 . . 477 . . 49 VAL CA . 27532 1 364 . 1 1 49 49 VAL CB C 13 32.242 0.0 . 1 . . 478 . . 49 VAL CB . 27532 1 365 . 1 1 49 49 VAL CG1 C 13 20.177 0.024 . 2 . . 696 . . 49 VAL CG1 . 27532 1 366 . 1 1 49 49 VAL CG2 C 13 22.179 . . 2 . . 695 . . 49 VAL CG2 . 27532 1 367 . 1 1 49 49 VAL N N 15 127.133 0.056 . 1 . . 40 . . 49 VAL N . 27532 1 368 . 1 1 50 50 PHE H H 1 8.730 0.009 . 1 . . 75 . . 50 PHE H . 27532 1 369 . 1 1 50 50 PHE HA H 1 5.092 0.01 . 1 . . 698 . . 50 PHE HA . 27532 1 370 . 1 1 50 50 PHE HB2 H 1 2.869 0.006 . 1 . . 850 . . 50 PHE HB2 . 27532 1 371 . 1 1 50 50 PHE HD1 H 1 6.889 0.004 . 1 . . 867 . . 50 PHE HD1 . 27532 1 372 . 1 1 50 50 PHE HD2 H 1 6.889 0.004 . 1 . . 867 . . 50 PHE HD2 . 27532 1 373 . 1 1 50 50 PHE C C 13 175.619 0.009 . 1 . . 394 . . 50 PHE C . 27532 1 374 . 1 1 50 50 PHE CA C 13 57.536 0.022 . 1 . . 286 . . 50 PHE CA . 27532 1 375 . 1 1 50 50 PHE CB C 13 40.362 0.005 . 1 . . 469 . . 50 PHE CB . 27532 1 376 . 1 1 50 50 PHE N N 15 126.501 0.049 . 1 . . 76 . . 50 PHE N . 27532 1 377 . 1 1 51 51 LEU H H 1 8.630 0.016 . 1 . . 217 . . 51 LEU H . 27532 1 378 . 1 1 51 51 LEU HA H 1 5.487 0.006 . 1 . . 848 . . 51 LEU HA . 27532 1 379 . 1 1 51 51 LEU HB2 H 1 1.537 0.002 . 2 . . 868 . . 51 LEU HB2 . 27532 1 380 . 1 1 51 51 LEU HB3 H 1 1.419 0.017 . 2 . . 869 . . 51 LEU HB3 . 27532 1 381 . 1 1 51 51 LEU C C 13 175.328 . . 1 . . 1104 . . 51 LEU C . 27532 1 382 . 1 1 51 51 LEU CA C 13 53.790 0.019 . 1 . . 452 . . 51 LEU CA . 27532 1 383 . 1 1 51 51 LEU CB C 13 46.124 0.022 . 1 . . 453 . . 51 LEU CB . 27532 1 384 . 1 1 51 51 LEU CG C 13 26.027 . . 1 . . 694 . . 51 LEU CG . 27532 1 385 . 1 1 51 51 LEU N N 15 119.587 0.032 . 1 . . 218 . . 51 LEU N . 27532 1 386 . 1 1 52 52 THR H H 1 8.860 0.005 . 1 . . 177 . . 52 THR H . 27532 1 387 . 1 1 52 52 THR HA H 1 4.487 0.02 . 1 . . 692 . . 52 THR HA . 27532 1 388 . 1 1 52 52 THR HB H 1 4.044 0.007 . 1 . . 693 . . 52 THR HB . 27532 1 389 . 1 1 52 52 THR HG21 H 1 1.026 0.009 . 1 . . 870 . . 52 THR HG21 . 27532 1 390 . 1 1 52 52 THR HG22 H 1 1.026 0.009 . 1 . . 870 . . 52 THR HG22 . 27532 1 391 . 1 1 52 52 THR HG23 H 1 1.026 0.009 . 1 . . 870 . . 52 THR HG23 . 27532 1 392 . 1 1 52 52 THR C C 13 172.564 0.005 . 1 . . 418 . . 52 THR C . 27532 1 393 . 1 1 52 52 THR CA C 13 60.696 0.012 . 1 . . 337 . . 52 THR CA . 27532 1 394 . 1 1 52 52 THR CB C 13 70.866 0.03 . 1 . . 338 . . 52 THR CB . 27532 1 395 . 1 1 52 52 THR CG2 C 13 21.617 0.004 . 1 . . 450 . . 52 THR CG2 . 27532 1 396 . 1 1 52 52 THR N N 15 113.345 0.021 . 1 . . 178 . . 52 THR N . 27532 1 397 . 1 1 53 53 VAL H H 1 7.865 0.006 . 1 . . 89 . . 53 VAL H . 27532 1 398 . 1 1 53 53 VAL HA H 1 4.457 0.024 . 1 . . 690 . . 53 VAL HA . 27532 1 399 . 1 1 53 53 VAL HB H 1 1.964 0.01 . 1 . . 691 . . 53 VAL HB . 27532 1 400 . 1 1 53 53 VAL C C 13 174.288 0.019 . 1 . . 395 . . 53 VAL C . 27532 1 401 . 1 1 53 53 VAL CA C 13 60.556 0.034 . 1 . . 449 . . 53 VAL CA . 27532 1 402 . 1 1 53 53 VAL CB C 13 34.932 0.036 . 1 . . 292 . . 53 VAL CB . 27532 1 403 . 1 1 53 53 VAL CG1 C 13 21.218 . . 1 . . 451 . . 53 VAL CG1 . 27532 1 404 . 1 1 53 53 VAL N N 15 120.642 0.041 . 1 . . 90 . . 53 VAL N . 27532 1 405 . 1 1 54 54 LEU H H 1 8.343 0.008 . 1 . . 55 . . 54 LEU H . 27532 1 406 . 1 1 54 54 LEU HA H 1 4.456 0.012 . 1 . . 688 . . 54 LEU HA . 27532 1 407 . 1 1 54 54 LEU HB2 H 1 1.555 0.018 . 1 . . 689 . . 54 LEU HB2 . 27532 1 408 . 1 1 54 54 LEU HD11 H 1 0.784 0.014 . 1 . . 847 . . 54 LEU HD11 . 27532 1 409 . 1 1 54 54 LEU HD12 H 1 0.784 0.014 . 1 . . 847 . . 54 LEU HD12 . 27532 1 410 . 1 1 54 54 LEU HD13 H 1 0.784 0.014 . 1 . . 847 . . 54 LEU HD13 . 27532 1 411 . 1 1 54 54 LEU C C 13 176.050 0.001 . 1 . . 388 . . 54 LEU C . 27532 1 412 . 1 1 54 54 LEU CA C 13 54.546 0.048 . 1 . . 270 . . 54 LEU CA . 27532 1 413 . 1 1 54 54 LEU CB C 13 42.342 0.061 . 1 . . 271 . . 54 LEU CB . 27532 1 414 . 1 1 54 54 LEU CG C 13 27.134 . . 1 . . 685 . . 54 LEU CG . 27532 1 415 . 1 1 54 54 LEU CD1 C 13 24.839 . . 2 . . 686 . . 54 LEU CD1 . 27532 1 416 . 1 1 54 54 LEU CD2 C 13 23.761 . . 2 . . 687 . . 54 LEU CD2 . 27532 1 417 . 1 1 54 54 LEU N N 15 127.552 0.048 . 1 . . 56 . . 54 LEU N . 27532 1 418 . 1 1 55 55 GLY H H 1 7.935 0.004 . 1 . . 27 . . 55 GLY H . 27532 1 419 . 1 1 55 55 GLY HA2 H 1 4.181 0.007 . 2 . . 683 . . 55 GLY HA2 . 27532 1 420 . 1 1 55 55 GLY HA3 H 1 3.799 0.008 . 2 . . 684 . . 55 GLY HA3 . 27532 1 421 . 1 1 55 55 GLY C C 13 173.095 0.003 . 1 . . 379 . . 55 GLY C . 27532 1 422 . 1 1 55 55 GLY CA C 13 44.440 0.027 . 1 . . 265 . . 55 GLY CA . 27532 1 423 . 1 1 55 55 GLY N N 15 109.815 0.037 . 1 . . 28 . . 55 GLY N . 27532 1 424 . 1 1 56 56 ASN H H 1 8.719 0.006 . 1 . . 481 . . 56 ASN H . 27532 1 425 . 1 1 56 56 ASN HA H 1 4.662 0.016 . 1 . . 772 . . 56 ASN HA . 27532 1 426 . 1 1 56 56 ASN HB2 H 1 3.156 0.008 . 2 . . 773 . . 56 ASN HB2 . 27532 1 427 . 1 1 56 56 ASN HB3 H 1 2.805 0.007 . 2 . . 873 . . 56 ASN HB3 . 27532 1 428 . 1 1 56 56 ASN HD21 H 1 7.426 0.003 . 1 . . 115 . . 56 ASN HD21 . 27532 1 429 . 1 1 56 56 ASN HD22 H 1 6.710 0.015 . 1 . . 401 . . 56 ASN HD22 . 27532 1 430 . 1 1 56 56 ASN C C 13 174.824 0.005 . 1 . . 485 . . 56 ASN C . 27532 1 431 . 1 1 56 56 ASN CA C 13 52.127 0.128 . 1 . . 483 . . 56 ASN CA . 27532 1 432 . 1 1 56 56 ASN CB C 13 38.233 0.036 . 1 . . 484 . . 56 ASN CB . 27532 1 433 . 1 1 56 56 ASN CG C 13 176.012 0.017 . 1 . . 874 . . 56 ASN CG . 27532 1 434 . 1 1 56 56 ASN N N 15 117.792 0.068 . 1 . . 482 . . 56 ASN N . 27532 1 435 . 1 1 56 56 ASN ND2 N 15 111.102 0.124 . 1 . . 116 . . 56 ASN ND2 . 27532 1 436 . 1 1 57 57 ASP H H 1 8.294 0.005 . 1 . . 133 . . 57 ASP H . 27532 1 437 . 1 1 57 57 ASP HA H 1 4.104 0.004 . 1 . . 770 . . 57 ASP HA . 27532 1 438 . 1 1 57 57 ASP HB2 H 1 2.539 0.01 . 1 . . 771 . . 57 ASP HB2 . 27532 1 439 . 1 1 57 57 ASP C C 13 178.404 0.02 . 1 . . 767 . . 57 ASP C . 27532 1 440 . 1 1 57 57 ASP CA C 13 57.986 0.03 . 1 . . 310 . . 57 ASP CA . 27532 1 441 . 1 1 57 57 ASP CB C 13 39.996 0.001 . 1 . . 766 . . 57 ASP CB . 27532 1 442 . 1 1 57 57 ASP N N 15 116.993 0.023 . 1 . . 134 . . 57 ASP N . 27532 1 443 . 1 1 58 58 LYS H H 1 7.955 0.004 . 1 . . 77 . . 58 LYS H . 27532 1 444 . 1 1 58 58 LYS HA H 1 3.996 0.006 . 1 . . 768 . . 58 LYS HA . 27532 1 445 . 1 1 58 58 LYS HB2 H 1 1.729 0.015 . 1 . . 769 . . 58 LYS HB2 . 27532 1 446 . 1 1 58 58 LYS C C 13 178.395 0.009 . 1 . . 765 . . 58 LYS C . 27532 1 447 . 1 1 58 58 LYS CA C 13 58.267 0.011 . 1 . . 287 . . 58 LYS CA . 27532 1 448 . 1 1 58 58 LYS CB C 13 31.427 0.028 . 1 . . 764 . . 58 LYS CB . 27532 1 449 . 1 1 58 58 LYS CG C 13 24.481 . . 1 . . 775 . . 58 LYS CG . 27532 1 450 . 1 1 58 58 LYS CD C 13 28.332 . . 1 . . 776 . . 58 LYS CD . 27532 1 451 . 1 1 58 58 LYS CE C 13 41.001 . . 1 . . 777 . . 58 LYS CE . 27532 1 452 . 1 1 58 58 LYS N N 15 120.801 0.031 . 1 . . 78 . . 58 LYS N . 27532 1 453 . 1 1 59 59 GLU H H 1 8.080 0.011 . 1 . . 101 . . 59 GLU H . 27532 1 454 . 1 1 59 59 GLU HA H 1 3.972 0.013 . 1 . . 681 . . 59 GLU HA . 27532 1 455 . 1 1 59 59 GLU HB2 H 1 1.875 0.01 . 1 . . 682 . . 59 GLU HB2 . 27532 1 456 . 1 1 59 59 GLU HG2 H 1 2.327 0.013 . 2 . . 875 . . 59 GLU HG2 . 27532 1 457 . 1 1 59 59 GLU HG3 H 1 2.125 0.002 . 2 . . 876 . . 59 GLU HG3 . 27532 1 458 . 1 1 59 59 GLU C C 13 180.398 0.003 . 1 . . 398 . . 59 GLU C . 27532 1 459 . 1 1 59 59 GLU CA C 13 58.964 0.045 . 1 . . 500 . . 59 GLU CA . 27532 1 460 . 1 1 59 59 GLU CB C 13 29.046 0.036 . 1 . . 506 . . 59 GLU CB . 27532 1 461 . 1 1 59 59 GLU CG C 13 36.740 0.066 . 1 . . 680 . . 59 GLU CG . 27532 1 462 . 1 1 59 59 GLU N N 15 120.511 0.072 . 1 . . 102 . . 59 GLU N . 27532 1 463 . 1 1 60 60 VAL H H 1 8.445 0.008 . 1 . . 215 . . 60 VAL H . 27532 1 464 . 1 1 60 60 VAL HA H 1 3.260 0.008 . 1 . . 679 . . 60 VAL HA . 27532 1 465 . 1 1 60 60 VAL HB H 1 1.981 0.004 . 1 . . 877 . . 60 VAL HB . 27532 1 466 . 1 1 60 60 VAL C C 13 177.485 0.012 . 1 . . 434 . . 60 VAL C . 27532 1 467 . 1 1 60 60 VAL CA C 13 67.365 0.039 . 1 . . 355 . . 60 VAL CA . 27532 1 468 . 1 1 60 60 VAL CB C 13 31.395 0.074 . 1 . . 356 . . 60 VAL CB . 27532 1 469 . 1 1 60 60 VAL N N 15 122.281 0.039 . 1 . . 216 . . 60 VAL N . 27532 1 470 . 1 1 61 61 GLU H H 1 7.936 0.006 . 1 . . 199 . . 61 GLU H . 27532 1 471 . 1 1 61 61 GLU HA H 1 3.963 0.002 . 1 . . 677 . . 61 GLU HA . 27532 1 472 . 1 1 61 61 GLU HB2 H 1 2.027 0.023 . 1 . . 678 . . 61 GLU HB2 . 27532 1 473 . 1 1 61 61 GLU C C 13 179.667 0.008 . 1 . . 426 . . 61 GLU C . 27532 1 474 . 1 1 61 61 GLU CA C 13 59.693 0.031 . 1 . . 505 . . 61 GLU CA . 27532 1 475 . 1 1 61 61 GLU CB C 13 29.459 0.015 . 1 . . 501 . . 61 GLU CB . 27532 1 476 . 1 1 61 61 GLU CG C 13 36.116 . . 1 . . 674 . . 61 GLU CG . 27532 1 477 . 1 1 61 61 GLU N N 15 120.013 0.046 . 1 . . 200 . . 61 GLU N . 27532 1 478 . 1 1 62 62 ASN H H 1 8.375 0.007 . 1 . . 87 . . 62 ASN H . 27532 1 479 . 1 1 62 62 ASN HA H 1 4.376 0.009 . 1 . . 675 . . 62 ASN HA . 27532 1 480 . 1 1 62 62 ASN HB2 H 1 2.547 0.013 . 1 . . 676 . . 62 ASN HB2 . 27532 1 481 . 1 1 62 62 ASN C C 13 177.841 0.005 . 1 . . 507 . . 62 ASN C . 27532 1 482 . 1 1 62 62 ASN CA C 13 55.584 0.013 . 1 . . 291 . . 62 ASN CA . 27532 1 483 . 1 1 62 62 ASN CB C 13 37.693 0.018 . 1 . . 290 . . 62 ASN CB . 27532 1 484 . 1 1 62 62 ASN N N 15 117.505 0.03 . 1 . . 88 . . 62 ASN N . 27532 1 485 . 1 1 63 63 THR H H 1 8.087 0.01 . 1 . . 502 . . 63 THR H . 27532 1 486 . 1 1 63 63 THR HA H 1 3.690 0.005 . 1 . . 878 . . 63 THR HA . 27532 1 487 . 1 1 63 63 THR C C 13 175.688 0.031 . 1 . . 504 . . 63 THR C . 27532 1 488 . 1 1 63 63 THR CA C 13 67.745 0.011 . 1 . . 512 . . 63 THR CA . 27532 1 489 . 1 1 63 63 THR CG2 C 13 21.416 . . 1 . . 673 . . 63 THR CG2 . 27532 1 490 . 1 1 63 63 THR N N 15 120.321 0.144 . 1 . . 503 . . 63 THR N . 27532 1 491 . 1 1 64 64 PHE H H 1 7.933 0.009 . 1 . . 427 . . 64 PHE H . 27532 1 492 . 1 1 64 64 PHE HA H 1 3.995 0.022 . 1 . . 671 . . 64 PHE HA . 27532 1 493 . 1 1 64 64 PHE HB2 H 1 2.958 0.008 . 1 . . 672 . . 64 PHE HB2 . 27532 1 494 . 1 1 64 64 PHE HD1 H 1 7.119 0.006 . 1 . . 879 . . 64 PHE HD1 . 27532 1 495 . 1 1 64 64 PHE HD2 H 1 7.119 0.006 . 1 . . 879 . . 64 PHE HD2 . 27532 1 496 . 1 1 64 64 PHE C C 13 178.763 0.02 . 1 . . 429 . . 64 PHE C . 27532 1 497 . 1 1 64 64 PHE CA C 13 62.421 0.044 . 1 . . 511 . . 64 PHE CA . 27532 1 498 . 1 1 64 64 PHE CB C 13 37.802 0.003 . 1 . . 513 . . 64 PHE CB . 27532 1 499 . 1 1 64 64 PHE N N 15 120.006 0.055 . 1 . . 428 . . 64 PHE N . 27532 1 500 . 1 1 65 65 LYS H H 1 7.986 0.007 . 1 . . 169 . . 65 LYS H . 27532 1 501 . 1 1 65 65 LYS HA H 1 4.083 0.009 . 1 . . 669 . . 65 LYS HA . 27532 1 502 . 1 1 65 65 LYS HB2 H 1 1.781 0.002 . 1 . . 670 . . 65 LYS HB2 . 27532 1 503 . 1 1 65 65 LYS HG2 H 1 1.370 0.006 . 1 . . 881 . . 65 LYS HG2 . 27532 1 504 . 1 1 65 65 LYS HD2 H 1 1.644 0.002 . 1 . . 880 . . 65 LYS HD2 . 27532 1 505 . 1 1 65 65 LYS C C 13 179.246 0.0 . 1 . . 416 . . 65 LYS C . 27532 1 506 . 1 1 65 65 LYS CA C 13 59.800 0.045 . 1 . . 332 . . 65 LYS CA . 27532 1 507 . 1 1 65 65 LYS CB C 13 32.509 0.1 . 1 . . 331 . . 65 LYS CB . 27532 1 508 . 1 1 65 65 LYS CG C 13 25.417 0.012 . 1 . . 668 . . 65 LYS CG . 27532 1 509 . 1 1 65 65 LYS CD C 13 29.371 0.003 . 1 . . 667 . . 65 LYS CD . 27532 1 510 . 1 1 65 65 LYS N N 15 119.897 0.048 . 1 . . 170 . . 65 LYS N . 27532 1 511 . 1 1 66 66 ALA H H 1 7.791 0.005 . 1 . . 197 . . 66 ALA H . 27532 1 512 . 1 1 66 66 ALA HA H 1 3.913 0.006 . 1 . . 665 . . 66 ALA HA . 27532 1 513 . 1 1 66 66 ALA HB1 H 1 1.209 0.008 . 1 . . 666 . . 66 ALA HB1 . 27532 1 514 . 1 1 66 66 ALA HB2 H 1 1.209 0.008 . 1 . . 666 . . 66 ALA HB2 . 27532 1 515 . 1 1 66 66 ALA HB3 H 1 1.209 0.008 . 1 . . 666 . . 66 ALA HB3 . 27532 1 516 . 1 1 66 66 ALA C C 13 180.750 0.014 . 1 . . 498 . . 66 ALA C . 27532 1 517 . 1 1 66 66 ALA CA C 13 54.942 0.064 . 1 . . 350 . . 66 ALA CA . 27532 1 518 . 1 1 66 66 ALA CB C 13 18.795 0.016 . 1 . . 349 . . 66 ALA CB . 27532 1 519 . 1 1 66 66 ALA N N 15 122.603 0.071 . 1 . . 198 . . 66 ALA N . 27532 1 520 . 1 1 67 67 LEU H H 1 8.173 0.009 . 1 . . 205 . . 67 LEU H . 27532 1 521 . 1 1 67 67 LEU HA H 1 3.654 0.009 . 1 . . 663 . . 67 LEU HA . 27532 1 522 . 1 1 67 67 LEU HB2 H 1 1.595 0.008 . 2 . . 882 . . 67 LEU HB2 . 27532 1 523 . 1 1 67 67 LEU HB3 H 1 1.373 0.009 . 2 . . 883 . . 67 LEU HB3 . 27532 1 524 . 1 1 67 67 LEU C C 13 178.840 0.017 . 1 . . 431 . . 67 LEU C . 27532 1 525 . 1 1 67 67 LEU CA C 13 57.842 0.027 . 1 . . 496 . . 67 LEU CA . 27532 1 526 . 1 1 67 67 LEU CB C 13 40.571 0.027 . 1 . . 497 . . 67 LEU CB . 27532 1 527 . 1 1 67 67 LEU N N 15 119.474 0.067 . 1 . . 206 . . 67 LEU N . 27532 1 528 . 1 1 68 68 ASP H H 1 7.796 0.003 . 1 . . 249 . . 68 ASP H . 27532 1 529 . 1 1 68 68 ASP HA H 1 4.378 0.008 . 1 . . 661 . . 68 ASP HA . 27532 1 530 . 1 1 68 68 ASP HB2 H 1 2.653 0.007 . 2 . . 662 . . 68 ASP HB2 . 27532 1 531 . 1 1 68 68 ASP HB3 H 1 2.776 0.008 . 2 . . 884 . . 68 ASP HB3 . 27532 1 532 . 1 1 68 68 ASP C C 13 179.327 0.008 . 1 . . 440 . . 68 ASP C . 27532 1 533 . 1 1 68 68 ASP CA C 13 57.709 0.002 . 1 . . 495 . . 68 ASP CA . 27532 1 534 . 1 1 68 68 ASP CB C 13 41.140 0.022 . 1 . . 494 . . 68 ASP CB . 27532 1 535 . 1 1 68 68 ASP N N 15 118.683 0.025 . 1 . . 250 . . 68 ASP N . 27532 1 536 . 1 1 69 69 LYS H H 1 7.600 0.006 . 1 . . 227 . . 69 LYS H . 27532 1 537 . 1 1 69 69 LYS HA H 1 4.052 0.023 . 1 . . 659 . . 69 LYS HA . 27532 1 538 . 1 1 69 69 LYS HB2 H 1 1.862 0.016 . 1 . . 660 . . 69 LYS HB2 . 27532 1 539 . 1 1 69 69 LYS HG2 H 1 1.466 0.014 . 1 . . 885 . . 69 LYS HG2 . 27532 1 540 . 1 1 69 69 LYS HD2 H 1 1.622 0.009 . 1 . . 886 . . 69 LYS HD2 . 27532 1 541 . 1 1 69 69 LYS C C 13 177.703 0.006 . 1 . . 435 . . 69 LYS C . 27532 1 542 . 1 1 69 69 LYS CA C 13 58.612 0.069 . 1 . . 358 . . 69 LYS CA . 27532 1 543 . 1 1 69 69 LYS CB C 13 32.062 0.029 . 1 . . 357 . . 69 LYS CB . 27532 1 544 . 1 1 69 69 LYS CG C 13 24.896 0.011 . 1 . . 658 . . 69 LYS CG . 27532 1 545 . 1 1 69 69 LYS CD C 13 29.002 0.006 . 1 . . 657 . . 69 LYS CD . 27532 1 546 . 1 1 69 69 LYS N N 15 118.906 0.049 . 1 . . 228 . . 69 LYS N . 27532 1 547 . 1 1 70 70 ALA H H 1 7.452 0.007 . 1 . . 237 . . 70 ALA H . 27532 1 548 . 1 1 70 70 ALA HA H 1 4.604 0.01 . 1 . . 655 . . 70 ALA HA . 27532 1 549 . 1 1 70 70 ALA HB1 H 1 1.380 0.025 . 1 . . 656 . . 70 ALA HB1 . 27532 1 550 . 1 1 70 70 ALA HB2 H 1 1.380 0.025 . 1 . . 656 . . 70 ALA HB2 . 27532 1 551 . 1 1 70 70 ALA HB3 H 1 1.380 0.025 . 1 . . 656 . . 70 ALA HB3 . 27532 1 552 . 1 1 70 70 ALA C C 13 177.328 0.004 . 1 . . 437 . . 70 ALA C . 27532 1 553 . 1 1 70 70 ALA CA C 13 51.658 0.014 . 1 . . 364 . . 70 ALA CA . 27532 1 554 . 1 1 70 70 ALA CB C 13 19.031 0.038 . 1 . . 363 . . 70 ALA CB . 27532 1 555 . 1 1 70 70 ALA N N 15 118.931 0.062 . 1 . . 238 . . 70 ALA N . 27532 1 556 . 1 1 71 71 LYS H H 1 7.313 0.006 . 1 . . 43 . . 71 LYS H . 27532 1 557 . 1 1 71 71 LYS HA H 1 3.911 0.01 . 1 . . 887 . . 71 LYS HA . 27532 1 558 . 1 1 71 71 LYS HB2 H 1 1.948 0.007 . 2 . . 654 . . 71 LYS HB2 . 27532 1 559 . 1 1 71 71 LYS HB3 H 1 2.045 0.0 . 2 . . 888 . . 71 LYS HB3 . 27532 1 560 . 1 1 71 71 LYS HG2 H 1 1.438 0.021 . 1 . . 889 . . 71 LYS HG2 . 27532 1 561 . 1 1 71 71 LYS HD2 H 1 1.615 . . 1 . . 890 . . 71 LYS HD2 . 27532 1 562 . 1 1 71 71 LYS C C 13 178.329 . . 1 . . 384 . . 71 LYS C . 27532 1 563 . 1 1 71 71 LYS CA C 13 61.190 0.001 . 1 . . 274 . . 71 LYS CA . 27532 1 564 . 1 1 71 71 LYS CB C 13 32.757 0.017 . 1 . . 275 . . 71 LYS CB . 27532 1 565 . 1 1 71 71 LYS N N 15 120.021 0.035 . 1 . . 44 . . 71 LYS N . 27532 1 566 . 1 1 72 72 GLY HA2 H 1 3.853 0.005 . 2 . . 891 . . 72 GLY HA2 . 27532 1 567 . 1 1 72 72 GLY HA3 H 1 3.924 0.002 . 2 . . 1086 . . 72 GLY HA3 . 27532 1 568 . 1 1 72 72 GLY C C 13 176.215 . . 1 . . 514 . . 72 GLY C . 27532 1 569 . 1 1 72 72 GLY CA C 13 47.045 0.024 . 1 . . 515 . . 72 GLY CA . 27532 1 570 . 1 1 73 73 PHE H H 1 7.901 0.004 . 1 . . 195 . . 73 PHE H . 27532 1 571 . 1 1 73 73 PHE HA H 1 4.263 0.018 . 1 . . 652 . . 73 PHE HA . 27532 1 572 . 1 1 73 73 PHE HB2 H 1 3.057 0.007 . 2 . . 892 . . 73 PHE HB2 . 27532 1 573 . 1 1 73 73 PHE HB3 H 1 3.244 0.008 . 2 . . 893 . . 73 PHE HB3 . 27532 1 574 . 1 1 73 73 PHE HD1 H 1 7.056 0.003 . 1 . . 894 . . 73 PHE HD1 . 27532 1 575 . 1 1 73 73 PHE HD2 H 1 7.056 0.003 . 1 . . 894 . . 73 PHE HD2 . 27532 1 576 . 1 1 73 73 PHE C C 13 177.052 0.015 . 1 . . 425 . . 73 PHE C . 27532 1 577 . 1 1 73 73 PHE CA C 13 60.544 0.014 . 1 . . 348 . . 73 PHE CA . 27532 1 578 . 1 1 73 73 PHE CB C 13 38.984 0.061 . 1 . . 347 . . 73 PHE CB . 27532 1 579 . 1 1 73 73 PHE N N 15 125.325 0.064 . 1 . . 196 . . 73 PHE N . 27532 1 580 . 1 1 74 74 ILE H H 1 8.664 0.006 . 1 . . 193 . . 74 ILE H . 27532 1 581 . 1 1 74 74 ILE HA H 1 3.660 0.009 . 1 . . 651 . . 74 ILE HA . 27532 1 582 . 1 1 74 74 ILE HB H 1 1.674 0.02 . 1 . . 895 . . 74 ILE HB . 27532 1 583 . 1 1 74 74 ILE C C 13 177.297 0.011 . 1 . . 424 . . 74 ILE C . 27532 1 584 . 1 1 74 74 ILE CA C 13 66.282 0.074 . 1 . . 345 . . 74 ILE CA . 27532 1 585 . 1 1 74 74 ILE CB C 13 38.135 0.003 . 1 . . 346 . . 74 ILE CB . 27532 1 586 . 1 1 74 74 ILE N N 15 119.578 0.038 . 1 . . 194 . . 74 ILE N . 27532 1 587 . 1 1 75 75 LYS H H 1 8.060 0.005 . 1 . . 61 . . 75 LYS H . 27532 1 588 . 1 1 75 75 LYS HA H 1 3.689 0.011 . 1 . . 647 . . 75 LYS HA . 27532 1 589 . 1 1 75 75 LYS HB2 H 1 1.783 0.002 . 2 . . 648 . . 75 LYS HB2 . 27532 1 590 . 1 1 75 75 LYS HB3 H 1 1.859 0.019 . 2 . . 649 . . 75 LYS HB3 . 27532 1 591 . 1 1 75 75 LYS HG2 H 1 1.437 0.01 . 1 . . 896 . . 75 LYS HG2 . 27532 1 592 . 1 1 75 75 LYS C C 13 178.811 0.016 . 1 . . 390 . . 75 LYS C . 27532 1 593 . 1 1 75 75 LYS CA C 13 60.515 0.035 . 1 . . 278 . . 75 LYS CA . 27532 1 594 . 1 1 75 75 LYS CB C 13 32.531 0.01 . 1 . . 499 . . 75 LYS CB . 27532 1 595 . 1 1 75 75 LYS CG C 13 25.799 0.001 . 1 . . 642 . . 75 LYS CG . 27532 1 596 . 1 1 75 75 LYS CD C 13 30.008 . . 1 . . 643 . . 75 LYS CD . 27532 1 597 . 1 1 75 75 LYS N N 15 117.597 0.037 . 1 . . 62 . . 75 LYS N . 27532 1 598 . 1 1 76 76 SER H H 1 7.823 0.005 . 1 . . 145 . . 76 SER H . 27532 1 599 . 1 1 76 76 SER HA H 1 4.057 0.007 . 1 . . 644 . . 76 SER HA . 27532 1 600 . 1 1 76 76 SER HB2 H 1 3.841 0.007 . 2 . . 645 . . 76 SER HB2 . 27532 1 601 . 1 1 76 76 SER HB3 H 1 3.801 0.002 . 2 . . 646 . . 76 SER HB3 . 27532 1 602 . 1 1 76 76 SER C C 13 177.555 . . 1 . . 779 . . 76 SER C . 27532 1 603 . 1 1 76 76 SER CA C 13 61.415 0.058 . 1 . . 316 . . 76 SER CA . 27532 1 604 . 1 1 76 76 SER CB C 13 62.374 0.059 . 1 . . 315 . . 76 SER CB . 27532 1 605 . 1 1 76 76 SER N N 15 114.979 0.03 . 1 . . 146 . . 76 SER N . 27532 1 606 . 1 1 77 77 GLU H H 1 8.180 0.006 . 1 . . 421 . . 77 GLU H . 27532 1 607 . 1 1 77 77 GLU HA H 1 3.800 0.015 . 1 . . 641 . . 77 GLU HA . 27532 1 608 . 1 1 77 77 GLU HB2 H 1 1.965 0.004 . 1 . . 897 . . 77 GLU HB2 . 27532 1 609 . 1 1 77 77 GLU C C 13 179.260 0.006 . 1 . . 423 . . 77 GLU C . 27532 1 610 . 1 1 77 77 GLU CA C 13 58.511 0.042 . 1 . . 640 . . 77 GLU CA . 27532 1 611 . 1 1 77 77 GLU CB C 13 29.077 0.0 . 1 . . 639 . . 77 GLU CB . 27532 1 612 . 1 1 77 77 GLU CG C 13 36.040 . . 1 . . 778 . . 77 GLU CG . 27532 1 613 . 1 1 77 77 GLU N N 15 122.794 0.136 . 1 . . 422 . . 77 GLU N . 27532 1 614 . 1 1 78 78 LEU H H 1 8.663 0.004 . 1 . . 35 . . 78 LEU H . 27532 1 615 . 1 1 78 78 LEU HA H 1 3.663 0.005 . 1 . . 637 . . 78 LEU HA . 27532 1 616 . 1 1 78 78 LEU HB2 H 1 1.454 0.017 . 2 . . 638 . . 78 LEU HB2 . 27532 1 617 . 1 1 78 78 LEU HB3 H 1 1.664 0.014 . 2 . . 898 . . 78 LEU HB3 . 27532 1 618 . 1 1 78 78 LEU C C 13 179.018 0.002 . 1 . . 382 . . 78 LEU C . 27532 1 619 . 1 1 78 78 LEU CA C 13 58.222 0.04 . 1 . . 456 . . 78 LEU CA . 27532 1 620 . 1 1 78 78 LEU CB C 13 41.975 0.043 . 1 . . 267 . . 78 LEU CB . 27532 1 621 . 1 1 78 78 LEU N N 15 121.043 0.043 . 1 . . 36 . . 78 LEU N . 27532 1 622 . 1 1 79 79 GLY H H 1 8.270 0.007 . 1 . . 159 . . 79 GLY H . 27532 1 623 . 1 1 79 79 GLY HA2 H 1 3.872 0.015 . 2 . . 635 . . 79 GLY HA2 . 27532 1 624 . 1 1 79 79 GLY HA3 H 1 3.798 0.005 . 2 . . 636 . . 79 GLY HA3 . 27532 1 625 . 1 1 79 79 GLY C C 13 175.723 0.01 . 1 . . 413 . . 79 GLY C . 27532 1 626 . 1 1 79 79 GLY CA C 13 47.113 0.04 . 1 . . 326 . . 79 GLY CA . 27532 1 627 . 1 1 79 79 GLY N N 15 105.703 0.051 . 1 . . 160 . . 79 GLY N . 27532 1 628 . 1 1 80 80 SER H H 1 7.509 0.007 . 1 . . 155 . . 80 SER H . 27532 1 629 . 1 1 80 80 SER HA H 1 4.251 0.012 . 1 . . 634 . . 80 SER HA . 27532 1 630 . 1 1 80 80 SER HB2 H 1 3.842 0.01 . 1 . . 633 . . 80 SER HB2 . 27532 1 631 . 1 1 80 80 SER CA C 13 60.306 0.033 . 1 . . 323 . . 80 SER CA . 27532 1 632 . 1 1 80 80 SER CB C 13 63.034 0.112 . 1 . . 322 . . 80 SER CB . 27532 1 633 . 1 1 80 80 SER N N 15 114.900 0.068 . 1 . . 156 . . 80 SER N . 27532 1 634 . 1 1 81 81 ARG H H 1 7.629 0.014 . 1 . . 251 . . 81 ARG H . 27532 1 635 . 1 1 81 81 ARG HA H 1 4.121 0.02 . 1 . . 631 . . 81 ARG HA . 27532 1 636 . 1 1 81 81 ARG HB2 H 1 1.821 0.003 . 1 . . 632 . . 81 ARG HB2 . 27532 1 637 . 1 1 81 81 ARG C C 13 177.197 . . 1 . . 441 . . 81 ARG C . 27532 1 638 . 1 1 81 81 ARG CA C 13 57.540 0.034 . 1 . . 455 . . 81 ARG CA . 27532 1 639 . 1 1 81 81 ARG CB C 13 32.048 0.002 . 1 . . 454 . . 81 ARG CB . 27532 1 640 . 1 1 81 81 ARG N N 15 119.129 0.102 . 1 . . 252 . . 81 ARG N . 27532 1 641 . 1 1 88 88 PRO C C 13 175.344 . . 1 . . 797 . . 88 PRO C . 27532 1 642 . 1 1 88 88 PRO CA C 13 61.977 0.022 . 1 . . 792 . . 88 PRO CA . 27532 1 643 . 1 1 88 88 PRO CB C 13 31.263 . . 1 . . 791 . . 88 PRO CB . 27532 1 644 . 1 1 89 89 GLU H H 1 7.505 0.008 . 1 . . 243 . . 89 GLU H . 27532 1 645 . 1 1 89 89 GLU HA H 1 4.130 0.011 . 1 . . 804 . . 89 GLU HA . 27532 1 646 . 1 1 89 89 GLU HB2 H 1 1.832 0.015 . 1 . . 805 . . 89 GLU HB2 . 27532 1 647 . 1 1 89 89 GLU C C 13 175.504 0.028 . 1 . . 788 . . 89 GLU C . 27532 1 648 . 1 1 89 89 GLU CA C 13 55.948 0.083 . 1 . . 369 . . 89 GLU CA . 27532 1 649 . 1 1 89 89 GLU CB C 13 30.175 0.097 . 1 . . 370 . . 89 GLU CB . 27532 1 650 . 1 1 89 89 GLU CG C 13 35.792 . . 1 . . 793 . . 89 GLU CG . 27532 1 651 . 1 1 89 89 GLU N N 15 118.852 0.04 . 1 . . 244 . . 89 GLU N . 27532 1 652 . 1 1 90 90 LEU H H 1 8.065 0.009 . 1 . . 241 . . 90 LEU H . 27532 1 653 . 1 1 90 90 LEU HA H 1 4.630 0.009 . 1 . . 802 . . 90 LEU HA . 27532 1 654 . 1 1 90 90 LEU HB2 H 1 0.676 0.026 . 1 . . 803 . . 90 LEU HB2 . 27532 1 655 . 1 1 90 90 LEU C C 13 175.790 0.029 . 1 . . 787 . . 90 LEU C . 27532 1 656 . 1 1 90 90 LEU CA C 13 54.332 0.094 . 1 . . 368 . . 90 LEU CA . 27532 1 657 . 1 1 90 90 LEU CB C 13 42.742 0.03 . 1 . . 367 . . 90 LEU CB . 27532 1 658 . 1 1 90 90 LEU CG C 13 26.903 . . 1 . . 794 . . 90 LEU CG . 27532 1 659 . 1 1 90 90 LEU N N 15 125.812 0.027 . 1 . . 242 . . 90 LEU N . 27532 1 660 . 1 1 91 91 MET H H 1 8.215 0.004 . 1 . . 539 . . 91 MET H . 27532 1 661 . 1 1 91 91 MET HA H 1 4.401 0.009 . 1 . . 800 . . 91 MET HA . 27532 1 662 . 1 1 91 91 MET HB2 H 1 1.846 0.004 . 1 . . 801 . . 91 MET HB2 . 27532 1 663 . 1 1 91 91 MET C C 13 173.569 0.001 . 1 . . 789 . . 91 MET C . 27532 1 664 . 1 1 91 91 MET CA C 13 53.841 0.008 . 1 . . 541 . . 91 MET CA . 27532 1 665 . 1 1 91 91 MET CB C 13 34.591 0.01 . 1 . . 790 . . 91 MET CB . 27532 1 666 . 1 1 91 91 MET CG C 13 31.736 . . 1 . . 795 . . 91 MET CG . 27532 1 667 . 1 1 91 91 MET N N 15 123.076 0.027 . 1 . . 540 . . 91 MET N . 27532 1 668 . 1 1 92 92 TYR H H 1 8.294 0.01 . 1 . . 229 . . 92 TYR H . 27532 1 669 . 1 1 92 92 TYR HA H 1 4.912 0.005 . 1 . . 798 . . 92 TYR HA . 27532 1 670 . 1 1 92 92 TYR HB2 H 1 2.556 0.019 . 1 . . 799 . . 92 TYR HB2 . 27532 1 671 . 1 1 92 92 TYR HD1 H 1 6.801 0.009 . 1 . . 899 . . 92 TYR HD1 . 27532 1 672 . 1 1 92 92 TYR HD2 H 1 6.801 0.009 . 1 . . 899 . . 92 TYR HD2 . 27532 1 673 . 1 1 92 92 TYR C C 13 175.242 0.008 . 1 . . 796 . . 92 TYR C . 27532 1 674 . 1 1 92 92 TYR CA C 13 57.375 0.029 . 1 . . 360 . . 92 TYR CA . 27532 1 675 . 1 1 92 92 TYR CB C 13 39.985 0.003 . 1 . . 359 . . 92 TYR CB . 27532 1 676 . 1 1 92 92 TYR N N 15 122.196 0.111 . 1 . . 230 . . 92 TYR N . 27532 1 677 . 1 1 93 93 GLU H H 1 8.931 0.007 . 1 . . 151 . . 93 GLU H . 27532 1 678 . 1 1 93 93 GLU HA H 1 4.417 0.013 . 1 . . 827 . . 93 GLU HA . 27532 1 679 . 1 1 93 93 GLU HB2 H 1 1.831 . . 1 . . 900 . . 93 GLU HB2 . 27532 1 680 . 1 1 93 93 GLU C C 13 174.074 . . 1 . . 411 . . 93 GLU C . 27532 1 681 . 1 1 93 93 GLU CA C 13 54.506 0.001 . 1 . . 321 . . 93 GLU CA . 27532 1 682 . 1 1 93 93 GLU N N 15 123.925 0.045 . 1 . . 152 . . 93 GLU N . 27532 1 683 . 1 1 94 94 TYR HD1 H 1 6.679 . . 1 . . 872 . . 94 TYR HD1 . 27532 1 684 . 1 1 94 94 TYR HD2 H 1 6.679 . . 1 . . 872 . . 94 TYR HD2 . 27532 1 685 . 1 1 94 94 TYR HE1 H 1 6.896 0.015 . 1 . . 871 . . 94 TYR HE1 . 27532 1 686 . 1 1 94 94 TYR HE2 H 1 6.896 0.015 . 1 . . 871 . . 94 TYR HE2 . 27532 1 687 . 1 1 94 94 TYR C C 13 175.887 . . 1 . . 1106 . . 94 TYR C . 27532 1 688 . 1 1 95 95 ASP H H 1 8.645 0.01 . 1 . . 17 . . 95 ASP H . 27532 1 689 . 1 1 95 95 ASP HA H 1 4.635 0.004 . 1 . . 1087 . . 95 ASP HA . 27532 1 690 . 1 1 95 95 ASP HB2 H 1 2.704 . . 1 . . 901 . . 95 ASP HB2 . 27532 1 691 . 1 1 95 95 ASP C C 13 175.220 . . 1 . . 831 . . 95 ASP C . 27532 1 692 . 1 1 95 95 ASP CA C 13 54.116 0.031 . 1 . . 830 . . 95 ASP CA . 27532 1 693 . 1 1 95 95 ASP CB C 13 41.604 . . 1 . . 1105 . . 95 ASP CB . 27532 1 694 . 1 1 95 95 ASP N N 15 126.649 0.119 . 1 . . 18 . . 95 ASP N . 27532 1 695 . 1 1 96 96 GLN H H 1 8.297 0.009 . 1 . . 446 . . 96 GLN H . 27532 1 696 . 1 1 96 96 GLN HA H 1 4.377 0.024 . 1 . . 629 . . 96 GLN HA . 27532 1 697 . 1 1 96 96 GLN HB2 H 1 2.125 0.0 . 1 . . 630 . . 96 GLN HB2 . 27532 1 698 . 1 1 96 96 GLN HG2 H 1 2.248 0.004 . 2 . . 902 . . 96 GLN HG2 . 27532 1 699 . 1 1 96 96 GLN HG3 H 1 2.622 0.004 . 2 . . 903 . . 96 GLN HG3 . 27532 1 700 . 1 1 96 96 GLN HE21 H 1 7.444 0.008 . 1 . . 593 . . 96 GLN HE21 . 27532 1 701 . 1 1 96 96 GLN HE22 H 1 6.753 0.007 . 1 . . 595 . . 96 GLN HE22 . 27532 1 702 . 1 1 96 96 GLN C C 13 176.038 0.009 . 1 . . 448 . . 96 GLN C . 27532 1 703 . 1 1 96 96 GLN CA C 13 55.670 0.077 . 1 . . 509 . . 96 GLN CA . 27532 1 704 . 1 1 96 96 GLN CB C 13 29.471 0.041 . 1 . . 510 . . 96 GLN CB . 27532 1 705 . 1 1 96 96 GLN CG C 13 33.756 0.042 . 1 . . 596 . . 96 GLN CG . 27532 1 706 . 1 1 96 96 GLN CD C 13 180.445 0.028 . 1 . . 597 . . 96 GLN CD . 27532 1 707 . 1 1 96 96 GLN N N 15 122.928 0.096 . 1 . . 447 . . 96 GLN N . 27532 1 708 . 1 1 96 96 GLN NE2 N 15 112.395 0.082 . 1 . . 594 . . 96 GLN NE2 . 27532 1 709 . 1 1 97 97 SER H H 1 8.429 0.009 . 1 . . 91 . . 97 SER H . 27532 1 710 . 1 1 97 97 SER HA H 1 4.185 0.006 . 1 . . 904 . . 97 SER HA . 27532 1 711 . 1 1 97 97 SER HB2 H 1 3.738 0.007 . 1 . . 628 . . 97 SER HB2 . 27532 1 712 . 1 1 97 97 SER C C 13 174.669 . . 1 . . 1107 . . 97 SER C . 27532 1 713 . 1 1 97 97 SER CA C 13 59.461 0.04 . 1 . . 294 . . 97 SER CA . 27532 1 714 . 1 1 97 97 SER CB C 13 63.550 0.043 . 1 . . 293 . . 97 SER CB . 27532 1 715 . 1 1 97 97 SER N N 15 116.734 0.022 . 1 . . 92 . . 97 SER N . 27532 1 716 . 1 1 98 98 ILE H H 1 7.696 0.008 . 1 . . 1 . . 98 ILE H . 27532 1 717 . 1 1 98 98 ILE HA H 1 3.997 0.011 . 1 . . 625 . . 98 ILE HA . 27532 1 718 . 1 1 98 98 ILE HB H 1 1.692 0.02 . 1 . . 626 . . 98 ILE HB . 27532 1 719 . 1 1 98 98 ILE HG12 H 1 1.279 0.007 . 2 . . 905 . . 98 ILE HG12 . 27532 1 720 . 1 1 98 98 ILE HG13 H 1 1.041 0.007 . 2 . . 906 . . 98 ILE HG13 . 27532 1 721 . 1 1 98 98 ILE HD11 H 1 0.699 0.008 . 1 . . 907 . . 98 ILE HD11 . 27532 1 722 . 1 1 98 98 ILE HD12 H 1 0.699 0.008 . 1 . . 907 . . 98 ILE HD12 . 27532 1 723 . 1 1 98 98 ILE HD13 H 1 0.699 0.008 . 1 . . 907 . . 98 ILE HD13 . 27532 1 724 . 1 1 98 98 ILE C C 13 176.000 0.002 . 1 . . 373 . . 98 ILE C . 27532 1 725 . 1 1 98 98 ILE CA C 13 61.129 0.031 . 1 . . 253 . . 98 ILE CA . 27532 1 726 . 1 1 98 98 ILE CB C 13 38.309 0.044 . 1 . . 254 . . 98 ILE CB . 27532 1 727 . 1 1 98 98 ILE CG1 C 13 27.411 0.008 . 1 . . 622 . . 98 ILE CG1 . 27532 1 728 . 1 1 98 98 ILE CG2 C 13 17.386 . . 1 . . 623 . . 98 ILE CG2 . 27532 1 729 . 1 1 98 98 ILE CD1 C 13 12.821 0.007 . 1 . . 624 . . 98 ILE CD1 . 27532 1 730 . 1 1 98 98 ILE N N 15 122.006 0.053 . 1 . . 2 . . 98 ILE N . 27532 1 731 . 1 1 99 99 GLU H H 1 8.190 0.011 . 1 . . 171 . . 99 GLU H . 27532 1 732 . 1 1 99 99 GLU HA H 1 4.117 0.009 . 1 . . 620 . . 99 GLU HA . 27532 1 733 . 1 1 99 99 GLU HB2 H 1 1.747 0.026 . 1 . . 621 . . 99 GLU HB2 . 27532 1 734 . 1 1 99 99 GLU C C 13 176.132 0.013 . 1 . . 508 . . 99 GLU C . 27532 1 735 . 1 1 99 99 GLU CA C 13 56.384 0.028 . 1 . . 333 . . 99 GLU CA . 27532 1 736 . 1 1 99 99 GLU CB C 13 30.123 0.031 . 1 . . 334 . . 99 GLU CB . 27532 1 737 . 1 1 99 99 GLU CG C 13 36.055 . . 1 . . 619 . . 99 GLU CG . 27532 1 738 . 1 1 99 99 GLU N N 15 123.686 0.067 . 1 . . 172 . . 99 GLU N . 27532 1 739 . 1 1 100 100 TYR H H 1 8.048 0.014 . 1 . . 51 . . 100 TYR H . 27532 1 740 . 1 1 100 100 TYR HA H 1 4.414 0.006 . 1 . . 616 . . 100 TYR HA . 27532 1 741 . 1 1 100 100 TYR HB2 H 1 2.977 0.006 . 2 . . 617 . . 100 TYR HB2 . 27532 1 742 . 1 1 100 100 TYR HB3 H 1 2.801 0.012 . 2 . . 618 . . 100 TYR HB3 . 27532 1 743 . 1 1 100 100 TYR HD1 H 1 6.979 0.005 . 1 . . 908 . . 100 TYR HD1 . 27532 1 744 . 1 1 100 100 TYR HD2 H 1 6.979 0.005 . 1 . . 908 . . 100 TYR HD2 . 27532 1 745 . 1 1 100 100 TYR C C 13 176.418 0.002 . 1 . . 386 . . 100 TYR C . 27532 1 746 . 1 1 100 100 TYR CA C 13 58.098 0.028 . 1 . . 479 . . 100 TYR CA . 27532 1 747 . 1 1 100 100 TYR CB C 13 38.682 0.01 . 1 . . 480 . . 100 TYR CB . 27532 1 748 . 1 1 100 100 TYR N N 15 120.948 0.027 . 1 . . 52 . . 100 TYR N . 27532 1 749 . 1 1 101 101 GLY H H 1 8.204 0.008 . 1 . . 175 . . 101 GLY H . 27532 1 750 . 1 1 101 101 GLY HA2 H 1 3.786 0.004 . 2 . . 909 . . 101 GLY HA2 . 27532 1 751 . 1 1 101 101 GLY HA3 H 1 3.879 0.01 . 2 . . 910 . . 101 GLY HA3 . 27532 1 752 . 1 1 101 101 GLY C C 13 172.926 . . 1 . . 1108 . . 101 GLY C . 27532 1 753 . 1 1 101 101 GLY CA C 13 45.370 0.048 . 1 . . 336 . . 101 GLY CA . 27532 1 754 . 1 1 101 101 GLY N N 15 109.671 0.123 . 1 . . 176 . . 101 GLY N . 27532 1 755 . 1 1 102 102 ASN H H 1 7.805 0.004 . 1 . . 534 . . 102 ASN H . 27532 1 756 . 1 1 102 102 ASN HA H 1 4.378 0.002 . 1 . . 945 . . 102 ASN HA . 27532 1 757 . 1 1 102 102 ASN HB2 H 1 2.572 0.002 . 1 . . 946 . . 102 ASN HB2 . 27532 1 758 . 1 1 102 102 ASN C C 13 179.540 . . 1 . . 538 . . 102 ASN C . 27532 1 759 . 1 1 102 102 ASN CA C 13 54.488 0.024 . 1 . . 536 . . 102 ASN CA . 27532 1 760 . 1 1 102 102 ASN CB C 13 40.309 0.002 . 1 . . 537 . . 102 ASN CB . 27532 1 761 . 1 1 102 102 ASN N N 15 123.911 0.032 . 1 . . 535 . . 102 ASN N . 27532 1 762 . 1 1 106 106 ARG C C 13 174.962 . . 1 . . 1109 . . 106 ARG C . 27532 1 763 . 1 1 106 106 ARG CA C 13 53.042 . . 1 . . 1110 . . 106 ARG CA . 27532 1 764 . 1 1 106 106 ARG CB C 13 29.387 . . 1 . . 1113 . . 106 ARG CB . 27532 1 765 . 1 1 107 107 MET H H 1 8.158 0.01 . 1 . . 231 . . 107 MET H . 27532 1 766 . 1 1 107 107 MET HA H 1 4.164 0.008 . 1 . . 814 . . 107 MET HA . 27532 1 767 . 1 1 107 107 MET HB2 H 1 1.662 0.015 . 1 . . 815 . . 107 MET HB2 . 27532 1 768 . 1 1 107 107 MET C C 13 176.155 0.018 . 1 . . 781 . . 107 MET C . 27532 1 769 . 1 1 107 107 MET CA C 13 56.162 0.048 . 1 . . 780 . . 107 MET CA . 27532 1 770 . 1 1 107 107 MET CB C 13 32.787 0.012 . 1 . . 811 . . 107 MET CB . 27532 1 771 . 1 1 107 107 MET N N 15 121.826 0.165 . 1 . . 232 . . 107 MET N . 27532 1 772 . 1 1 108 108 ILE H H 1 8.017 0.017 . 1 . . 207 . . 108 ILE H . 27532 1 773 . 1 1 108 108 ILE HA H 1 4.040 0.002 . 1 . . 812 . . 108 ILE HA . 27532 1 774 . 1 1 108 108 ILE HB H 1 1.685 0.021 . 1 . . 813 . . 108 ILE HB . 27532 1 775 . 1 1 108 108 ILE C C 13 175.844 0.007 . 1 . . 432 . . 108 ILE C . 27532 1 776 . 1 1 108 108 ILE CA C 13 61.127 0.105 . 1 . . 353 . . 108 ILE CA . 27532 1 777 . 1 1 108 108 ILE CB C 13 38.593 0.061 . 1 . . 354 . . 108 ILE CB . 27532 1 778 . 1 1 108 108 ILE N N 15 122.389 0.046 . 1 . . 208 . . 108 ILE N . 27532 1 779 . 1 1 109 109 GLN H H 1 8.408 0.023 . 1 . . 529 . . 109 GLN H . 27532 1 780 . 1 1 109 109 GLN HA H 1 4.701 0.002 . 1 . . 809 . . 109 GLN HA . 27532 1 781 . 1 1 109 109 GLN HB2 H 1 1.773 0.015 . 1 . . 810 . . 109 GLN HB2 . 27532 1 782 . 1 1 109 109 GLN HE21 H 1 7.517 0.002 . 1 . . 599 . . 109 GLN HE21 . 27532 1 783 . 1 1 109 109 GLN HE22 H 1 6.743 0.015 . 1 . . 600 . . 109 GLN HE22 . 27532 1 784 . 1 1 109 109 GLN C C 13 174.413 0.017 . 1 . . 531 . . 109 GLN C . 27532 1 785 . 1 1 109 109 GLN CA C 13 55.478 0.044 . 1 . . 532 . . 109 GLN CA . 27532 1 786 . 1 1 109 109 GLN CB C 13 29.846 0.046 . 1 . . 533 . . 109 GLN CB . 27532 1 787 . 1 1 109 109 GLN CG C 13 33.584 0.016 . 1 . . 601 . . 109 GLN CG . 27532 1 788 . 1 1 109 109 GLN CD C 13 180.666 0.005 . 1 . . 602 . . 109 GLN CD . 27532 1 789 . 1 1 109 109 GLN N N 15 125.746 0.05 . 1 . . 530 . . 109 GLN N . 27532 1 790 . 1 1 109 109 GLN NE2 N 15 112.343 0.079 . 1 . . 598 . . 109 GLN NE2 . 27532 1 791 . 1 1 110 110 ASP H H 1 7.929 0.004 . 1 . . 95 . . 110 ASP H . 27532 1 792 . 1 1 110 110 ASP HA H 1 4.250 0.014 . 1 . . 806 . . 110 ASP HA . 27532 1 793 . 1 1 110 110 ASP HB2 H 1 2.497 0.02 . 2 . . 807 . . 110 ASP HB2 . 27532 1 794 . 1 1 110 110 ASP HB3 H 1 2.444 0.006 . 2 . . 808 . . 110 ASP HB3 . 27532 1 795 . 1 1 110 110 ASP C C 13 180.763 0.014 . 1 . . 396 . . 110 ASP C . 27532 1 796 . 1 1 110 110 ASP CA C 13 55.717 0.125 . 1 . . 527 . . 110 ASP CA . 27532 1 797 . 1 1 110 110 ASP CB C 13 42.056 0.008 . 1 . . 528 . . 110 ASP CB . 27532 1 798 . 1 1 110 110 ASP N N 15 128.297 0.09 . 1 . . 96 . . 110 ASP N . 27532 1 799 . 1 1 111 111 LEU H H 1 8.174 0.01 . 1 . . 782 . . 111 LEU H . 27532 1 800 . 1 1 111 111 LEU HA H 1 4.017 0.003 . 1 . . 914 . . 111 LEU HA . 27532 1 801 . 1 1 111 111 LEU HB2 H 1 1.696 0.001 . 1 . . 916 . . 111 LEU HB2 . 27532 1 802 . 1 1 111 111 LEU C C 13 175.905 . . 1 . . 834 . . 111 LEU C . 27532 1 803 . 1 1 111 111 LEU CA C 13 60.955 0.028 . 1 . . 832 . . 111 LEU CA . 27532 1 804 . 1 1 111 111 LEU CB C 13 38.527 0.018 . 1 . . 833 . . 111 LEU CB . 27532 1 805 . 1 1 111 111 LEU CG C 13 27.092 . . 1 . . 835 . . 111 LEU CG . 27532 1 806 . 1 1 111 111 LEU N N 15 119.444 0.097 . 1 . . 783 . . 111 LEU N . 27532 1 807 . 1 1 112 112 HIS H H 1 8.333 0.009 . 1 . . 59 . . 112 HIS H . 27532 1 808 . 1 1 112 112 HIS HA H 1 4.193 0.004 . 1 . . 913 . . 112 HIS HA . 27532 1 809 . 1 1 112 112 HIS C C 13 175.160 0.003 . 1 . . 389 . . 112 HIS C . 27532 1 810 . 1 1 112 112 HIS CA C 13 56.331 0.03 . 1 . . 272 . . 112 HIS CA . 27532 1 811 . 1 1 112 112 HIS CB C 13 30.237 0.017 . 1 . . 273 . . 112 HIS CB . 27532 1 812 . 1 1 112 112 HIS N N 15 125.998 0.105 . 1 . . 60 . . 112 HIS N . 27532 1 813 . 1 1 113 113 LYS H H 1 7.890 0.006 . 1 . . 135 . . 113 LYS H . 27532 1 814 . 1 1 113 113 LYS HA H 1 4.031 0.002 . 1 . . 917 . . 113 LYS HA . 27532 1 815 . 1 1 113 113 LYS HB2 H 1 1.648 0.001 . 1 . . 918 . . 113 LYS HB2 . 27532 1 816 . 1 1 113 113 LYS C C 13 180.834 . . 1 . . 405 . . 113 LYS C . 27532 1 817 . 1 1 113 113 LYS CA C 13 57.373 0.021 . 1 . . 311 . . 113 LYS CA . 27532 1 818 . 1 1 113 113 LYS CB C 13 31.458 0.002 . 1 . . 312 . . 113 LYS CB . 27532 1 819 . 1 1 113 113 LYS N N 15 127.843 0.068 . 1 . . 136 . . 113 LYS N . 27532 1 820 . 1 1 117 117 VAL H H 1 8.178 0.002 . 1 . . 181 . . 117 VAL H . 27532 1 821 . 1 1 117 117 VAL HA H 1 3.995 0.003 . 1 . . 922 . . 117 VAL HA . 27532 1 822 . 1 1 117 117 VAL HB H 1 1.921 0.005 . 1 . . 923 . . 117 VAL HB . 27532 1 823 . 1 1 117 117 VAL C C 13 175.192 . . 1 . . 420 . . 117 VAL C . 27532 1 824 . 1 1 117 117 VAL CA C 13 62.356 0.01 . 1 . . 553 . . 117 VAL CA . 27532 1 825 . 1 1 117 117 VAL CB C 13 32.649 0.008 . 1 . . 552 . . 117 VAL CB . 27532 1 826 . 1 1 117 117 VAL N N 15 122.676 0.03 . 1 . . 182 . . 117 VAL N . 27532 1 827 . 1 1 118 118 GLU H H 1 7.926 0.005 . 1 . . 522 . . 118 GLU H . 27532 1 828 . 1 1 118 118 GLU HA H 1 3.992 0.003 . 1 . . 1091 . . 118 GLU HA . 27532 1 829 . 1 1 118 118 GLU HB2 H 1 1.828 . . 1 . . 1092 . . 118 GLU HB2 . 27532 1 830 . 1 1 118 118 GLU CA C 13 57.837 0.001 . 1 . . 524 . . 118 GLU CA . 27532 1 831 . 1 1 118 118 GLU N N 15 130.611 0.074 . 1 . . 523 . . 118 GLU N . 27532 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list _Coupling_constant_list.Entry_ID 27532 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $CondSet1 _Coupling_constant_list.Spectrometer_frequency_1H 700 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 11 '3D HNHA' . . isotropic 27532 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 117 117 VAL H H 1 . . 1 1 117 117 VAL HA H 1 . 9.15014092496 . . 0.0128930810124 . . . . . . . . . . . . . 27532 1 2 3JHNHA . 1 1 63 63 THR H H 1 . . 1 1 63 63 THR HA H 1 . 2.79891566762 . . 0.2045199888040 . . . . . . . . . . . . . 27532 1 3 3JHNHA . 1 1 24 24 LYS H H 1 . . 1 1 24 24 LYS HA H 1 . 9.47425575508 . . 0.1172017615120 . . . . . . . . . . . . . 27532 1 4 3JHNHA . 1 1 112 112 HIS H H 1 . . 1 1 112 112 HIS HA H 1 . 7.92958145431 . . 0.1329971960010 . . . . . . . . . . . . . 27532 1 5 3JHNHA . 1 1 64 64 PHE H H 1 . . 1 1 64 64 PHE HA H 1 . 3.67381460561 . . 0.1930104947360 . . . . . . . . . . . . . 27532 1 6 3JHNHA . 1 1 107 107 MET H H 1 . . 1 1 107 107 MET HA H 1 . 7.78828186744 . . 0.3614713709620 . . . . . . . . . . . . . 27532 1 7 3JHNHA . 1 1 34 34 THR H H 1 . . 1 1 34 34 THR HA H 1 . 9.09739275308 . . 0.3466113456550 . . . . . . . . . . . . . 27532 1 8 3JHNHA . 1 1 40 40 LEU H H 1 . . 1 1 40 40 LEU HA H 1 . 7.30976421251 . . 0.2383421176750 . . . . . . . . . . . . . 27532 1 9 3JHNHA . 1 1 78 78 LEU H H 1 . . 1 1 78 78 LEU HA H 1 . 3.48326979947 . . 0.2751812248200 . . . . . . . . . . . . . 27532 1 10 3JHNHA . 1 1 38 38 VAL H H 1 . . 1 1 38 38 VAL HA H 1 . 7.63133966584 . . 0.2364468899130 . . . . . . . . . . . . . 27532 1 11 3JHNHA . 1 1 32 32 PHE H H 1 . . 1 1 32 32 PHE HA H 1 . 5.22175999434 . . 0.0822140575493 . . . . . . . . . . . . . 27532 1 12 3JHNHA . 1 1 77 77 GLU H H 1 . . 1 1 77 77 GLU HA H 1 . 1.90769514113 . . 0.0915997788656 . . . . . . . . . . . . . 27532 1 13 3JHNHA . 1 1 92 92 TYR H H 1 . . 1 1 92 92 TYR HA H 1 . 8.31561882321 . . 0.2406111524420 . . . . . . . . . . . . . 27532 1 14 3JHNHA . 1 1 52 52 THR H H 1 . . 1 1 52 52 THR HA H 1 . 8.86060801701 . . 0.1505038656960 . . . . . . . . . . . . . 27532 1 15 3JHNHA . 1 1 29 29 ARG H H 1 . . 1 1 29 29 ARG HA H 1 . 6.87339342896 . . 0.1082408298110 . . . . . . . . . . . . . 27532 1 16 3JHNHA . 1 1 46 46 GLN H H 1 . . 1 1 46 46 GLN HA H 1 . 8.36391264424 . . 0.1130588690840 . . . . . . . . . . . . . 27532 1 17 3JHNHA . 1 1 58 58 LYS H H 1 . . 1 1 58 58 LYS HA H 1 . 5.39985773149 . . 0.1664328799060 . . . . . . . . . . . . . 27532 1 18 3JHNHA . 1 1 66 66 ALA H H 1 . . 1 1 66 66 ALA HA H 1 . 4.43297539582 . . 0.1002313424050 . . . . . . . . . . . . . 27532 1 19 3JHNHA . 1 1 95 95 ASP H H 1 . . 1 1 95 95 ASP HA H 1 . 6.53137366144 . . 0.6555864663230 . . . . . . . . . . . . . 27532 1 20 3JHNHA . 1 1 73 73 PHE H H 1 . . 1 1 73 73 PHE HA H 1 . 5.01061369312 . . 0.1879070475200 . . . . . . . . . . . . . 27532 1 21 3JHNHA . 1 1 110 110 ASP H H 1 . . 1 1 110 110 ASP HA H 1 . 7.81515912130 . . 0.0127468297839 . . . . . . . . . . . . . 27532 1 22 3JHNHA . 1 1 15 15 LYS H H 1 . . 1 1 15 15 LYS HA H 1 . 5.06501129344 . . 0.1308655627360 . . . . . . . . . . . . . 27532 1 23 3JHNHA . 1 1 75 75 LYS H H 1 . . 1 1 75 75 LYS HA H 1 . 5.09184454836 . . 0.3531964650930 . . . . . . . . . . . . . 27532 1 24 3JHNHA . 1 1 25 25 VAL H H 1 . . 1 1 25 25 VAL HA H 1 . 7.02223542560 . . 0.0998956725770 . . . . . . . . . . . . . 27532 1 25 3JHNHA . 1 1 18 18 MET H H 1 . . 1 1 18 18 MET HA H 1 . 3.97474730880 . . 0.2013657395580 . . . . . . . . . . . . . 27532 1 26 3JHNHA . 1 1 36 36 THR H H 1 . . 1 1 36 36 THR HA H 1 . 8.06870397853 . . 0.3380936510190 . . . . . . . . . . . . . 27532 1 27 3JHNHA . 1 1 102 102 ASN H H 1 . . 1 1 102 102 ASN HA H 1 . 9.25521702556 . . 0.0774029316031 . . . . . . . . . . . . . 27532 1 28 3JHNHA . 1 1 53 53 VAL H H 1 . . 1 1 53 53 VAL HA H 1 . 8.63861781310 . . 0.1716931194320 . . . . . . . . . . . . . 27532 1 29 3JHNHA . 1 1 98 98 ILE H H 1 . . 1 1 98 98 ILE HA H 1 . 7.19162058674 . . 0.0526121586635 . . . . . . . . . . . . . 27532 1 30 3JHNHA . 1 1 62 62 ASN H H 1 . . 1 1 62 62 ASN HA H 1 . 4.20851353002 . . 0.1644009165460 . . . . . . . . . . . . . 27532 1 31 3JHNHA . 1 1 37 37 ASP H H 1 . . 1 1 37 37 ASP HA H 1 . 6.16307851547 . . 0.0973696325651 . . . . . . . . . . . . . 27532 1 32 3JHNHA . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU HA H 1 . 4.39177150802 . . 0.4037291696910 . . . . . . . . . . . . . 27532 1 33 3JHNHA . 1 1 69 69 LYS H H 1 . . 1 1 69 69 LYS HA H 1 . 4.78315227524 . . 0.1743779663770 . . . . . . . . . . . . . 27532 1 34 3JHNHA . 1 1 61 61 GLU H H 1 . . 1 1 61 61 GLU HA H 1 . 3.08690387104 . . 0.1791431230420 . . . . . . . . . . . . . 27532 1 35 3JHNHA . 1 1 5 5 ARG H H 1 . . 1 1 5 5 ARG HA H 1 . 6.81465031903 . . 0.0354094307067 . . . . . . . . . . . . . 27532 1 36 3JHNHA . 1 1 76 76 SER H H 1 . . 1 1 76 76 SER HA H 1 . 4.46424250766 . . 0.0930867230827 . . . . . . . . . . . . . 27532 1 37 3JHNHA . 1 1 91 91 MET H H 1 . . 1 1 91 91 MET HA H 1 . 4.78801756494 . . 0.1207054774230 . . . . . . . . . . . . . 27532 1 38 3JHNHA . 1 1 19 19 ASP H H 1 . . 1 1 19 19 ASP HA H 1 . 5.49711940633 . . 0.1843139157240 . . . . . . . . . . . . . 27532 1 39 3JHNHA . 1 1 43 43 ASP H H 1 . . 1 1 43 43 ASP HA H 1 . 5.52556523130 . . 0.0702518539343 . . . . . . . . . . . . . 27532 1 40 3JHNHA . 1 1 3 3 SER H H 1 . . 1 1 3 3 SER HA H 1 . 8.59200454146 . . 0.5382429249030 . . . . . . . . . . . . . 27532 1 41 3JHNHA . 1 1 30 30 VAL H H 1 . . 1 1 30 30 VAL HA H 1 . 7.28252749858 . . 0.0836774137091 . . . . . . . . . . . . . 27532 1 42 3JHNHA . 1 1 33 33 ILE H H 1 . . 1 1 33 33 ILE HA H 1 . 4.81559247427 . . 0.1670161978940 . . . . . . . . . . . . . 27532 1 43 3JHNHA . 1 1 60 60 VAL H H 1 . . 1 1 60 60 VAL HA H 1 . 4.61214338472 . . 0.2098131949980 . . . . . . . . . . . . . 27532 1 44 3JHNHA . 1 1 65 65 LYS H H 1 . . 1 1 65 65 LYS HA H 1 . 3.58608513375 . . 0.2095834262680 . . . . . . . . . . . . . 27532 1 45 3JHNHA . 1 1 44 44 LEU H H 1 . . 1 1 44 44 LEU HA H 1 . 5.79909827915 . . 0.6819995084860 . . . . . . . . . . . . . 27532 1 46 3JHNHA . 1 1 93 93 GLU H H 1 . . 1 1 93 93 GLU HA H 1 . 8.93962251043 . . 0.2700319124770 . . . . . . . . . . . . . 27532 1 47 3JHNHA . 1 1 59 59 GLU H H 1 . . 1 1 59 59 GLU HA H 1 . 3.61299803061 . . 0.1711556594000 . . . . . . . . . . . . . 27532 1 48 3JHNHA . 1 1 90 90 LEU H H 1 . . 1 1 90 90 LEU HA H 1 . 7.72907817349 . . 0.1652176521210 . . . . . . . . . . . . . 27532 1 49 3JHNHA . 1 1 99 99 GLU H H 1 . . 1 1 99 99 GLU HA H 1 . 7.03187594090 . . 0.0571903622741 . . . . . . . . . . . . . 27532 1 50 3JHNHA . 1 1 50 50 PHE H H 1 . . 1 1 50 50 PHE HA H 1 . 7.23167789574 . . 0.2936326189700 . . . . . . . . . . . . . 27532 1 51 3JHNHA . 1 1 45 45 SER H H 1 . . 1 1 45 45 SER HA H 1 . 5.24559966762 . . 0.2491755787580 . . . . . . . . . . . . . 27532 1 52 3JHNHA . 1 1 81 81 ARG H H 1 . . 1 1 81 81 ARG HA H 1 . 6.69286025974 . . 0.2997591573050 . . . . . . . . . . . . . 27532 1 53 3JHNHA . 1 1 54 54 LEU H H 1 . . 1 1 54 54 LEU HA H 1 . 7.64944722775 . . 0.1000745869020 . . . . . . . . . . . . . 27532 1 54 3JHNHA . 1 1 22 22 ASN HD22 H 1 . . 1 1 22 22 ASN HA H 1 . 2.96251051397 . . 0.1288547916880 . . . . . . . . . . . . . 27532 1 55 3JHNHA . 1 1 56 56 ASN H H 1 . . 1 1 56 56 ASN HA H 1 . 7.71132400979 . . 0.3086770135980 . . . . . . . . . . . . . 27532 1 56 3JHNHA . 1 1 113 113 LYS H H 1 . . 1 1 113 113 LYS HA H 1 . 7.53399574134 . . 0.0189501767973 . . . . . . . . . . . . . 27532 1 57 3JHNHA . 1 1 108 108 ILE H H 1 . . 1 1 108 108 ILE HA H 1 . 7.45239752624 . . 0.0697927745332 . . . . . . . . . . . . . 27532 1 58 3JHNHA . 1 1 80 80 SER H H 1 . . 1 1 80 80 SER HA H 1 . 5.52336072134 . . 0.1919150020660 . . . . . . . . . . . . . 27532 1 59 3JHNHA . 1 1 39 39 VAL H H 1 . . 1 1 39 39 VAL HA H 1 . 9.19197097737 . . 0.1744767386770 . . . . . . . . . . . . . 27532 1 60 3JHNHA . 1 1 100 100 TYR H H 1 . . 1 1 100 100 TYR HA H 1 . 4.99410911916 . . 0.0683447040717 . . . . . . . . . . . . . 27532 1 61 3JHNHA . 1 1 12 12 GLN H H 1 . . 1 1 12 12 GLN HA H 1 . 5.83014052468 . . 0.1278419047240 . . . . . . . . . . . . . 27532 1 62 3JHNHA . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU HA H 1 . 7.10147438719 . . 0.1370355892220 . . . . . . . . . . . . . 27532 1 63 3JHNHA . 1 1 49 49 VAL H H 1 . . 1 1 49 49 VAL HA H 1 . 8.15949724830 . . 0.3563046159530 . . . . . . . . . . . . . 27532 1 64 3JHNHA . 1 1 118 118 GLU H H 1 . . 1 1 118 118 GLU HA H 1 . 10.12753201200 . . 0.2349531658950 . . . . . . . . . . . . . 27532 1 65 3JHNHA . 1 1 109 109 GLN H H 1 . . 1 1 109 109 GLN HA H 1 . 4.35723595988 . . 1.1156927439000 . . . . . . . . . . . . . 27532 1 66 3JHNHA . 1 1 13 13 MET H H 1 . . 1 1 13 13 MET HA H 1 . 3.56549264827 . . 0.2751102743570 . . . . . . . . . . . . . 27532 1 67 3JHNHA . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS HA H 1 . 8.17368161158 . . 0.2193606859030 . . . . . . . . . . . . . 27532 1 68 3JHNHA . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA HA H 1 . 7.73150100103 . . 0.1660243609730 . . . . . . . . . . . . . 27532 1 69 3JHNHA . 1 1 35 35 ILE H H 1 . . 1 1 35 35 ILE HA H 1 . 2.70530961969 . . 0.0758648148656 . . . . . . . . . . . . . 27532 1 70 3JHNHA . 1 1 70 70 ALA H H 1 . . 1 1 70 70 ALA HA H 1 . 7.74966999391 . . 0.0508299275828 . . . . . . . . . . . . . 27532 1 71 3JHNHA . 1 1 11 11 GLU H H 1 . . 1 1 11 11 GLU HA H 1 . 3.79916272225 . . 0.2588765331870 . . . . . . . . . . . . . 27532 1 72 3JHNHA . 1 1 68 68 ASP H H 1 . . 1 1 68 68 ASP HA H 1 . 3.91672613921 . . 0.1614952356370 . . . . . . . . . . . . . 27532 1 stop_ save_