data_27651 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27651 _Entry.Title ; Conformational Changes in the Cytoplasmic Region of KIR3DL1 upon Interaction with SHP-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-15 _Entry.Accession_date 2018-10-15 _Entry.Last_release_date 2018-10-15 _Entry.Original_release_date 2018-10-15 _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 Hong Cheng . . . . 27651 2 Vered Schwell . . . . 27651 3 Brett Curtis . R. . . 27651 4 Ruzaliya Fazlieva . . . . 27651 5 Heinrich Roder . . . . 27651 6 Kerry Campbell . S. . . 27651 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27651 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 27651 '15N chemical shifts' 99 27651 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 . . 2019-04-24 2018-10-15 update BMRB 'update entry citation' 27651 1 . . 2019-02-22 2018-10-15 original author 'original release' 27651 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27651 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30773397 _Citation.Full_citation . _Citation.Title ; Conformational Changes in the Cytoplasmic Region of KIR3DL1 upon Interaction with SHP-2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _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 639 _Citation.Page_last 650 _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 Hong Cheng . . . . 27651 1 2 Vered Schwell . . . . 27651 1 3 Brett Curtis . R. . . 27651 1 4 Ruzaliya Fazlieva . . . . 27651 1 5 Heinrich Roder . . . . 27651 1 6 Kerry Campbell . S. . . 27651 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '13C-detected NMR' 27651 1 'intrinsically disordered protein' 27651 1 'killer cell Ig-like receptor' 27651 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27651 _Assembly.ID 1 _Assembly.Name KIR3DL1-cyto _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KIR3DL1-cyto 1 $KIR3DL1-cyto A . yes native no no . . . 27651 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KIR3DL1-cyto _Entity.Sf_category entity _Entity.Sf_framecode KIR3DL1-cyto _Entity.Entry_ID 27651 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KIR3DL1-cyto _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGMKETAAAKFERQDMDSP DLGTDDDDKAMEFHLWCSNK KNAAVMDQEPAGNRTANSED SDEQDPEEVTYAQLDHCVFT QRKITRPSQRPKTPPTDTIL YTELPNAKPRSKVVSCP ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 27651 1 2 . SER . 27651 1 3 . GLY . 27651 1 4 . MET . 27651 1 5 . LYS . 27651 1 6 . GLU . 27651 1 7 . THR . 27651 1 8 . ALA . 27651 1 9 . ALA . 27651 1 10 . ALA . 27651 1 11 . LYS . 27651 1 12 . PHE . 27651 1 13 . GLU . 27651 1 14 . ARG . 27651 1 15 . GLN . 27651 1 16 . ASP . 27651 1 17 . MET . 27651 1 18 . ASP . 27651 1 19 . SER . 27651 1 20 . PRO . 27651 1 21 . ASP . 27651 1 22 . LEU . 27651 1 23 . GLY . 27651 1 24 . THR . 27651 1 25 . ASP . 27651 1 26 . ASP . 27651 1 27 . ASP . 27651 1 28 . ASP . 27651 1 29 . LYS . 27651 1 30 . ALA . 27651 1 31 . MET . 27651 1 32 . GLU . 27651 1 33 . PHE . 27651 1 34 . HIS . 27651 1 35 . LEU . 27651 1 36 . TRP . 27651 1 37 . CYS . 27651 1 38 . SER . 27651 1 39 . ASN . 27651 1 40 . LYS . 27651 1 41 . LYS . 27651 1 42 . ASN . 27651 1 43 . ALA . 27651 1 44 . ALA . 27651 1 45 . VAL . 27651 1 46 . MET . 27651 1 47 . ASP . 27651 1 48 . GLN . 27651 1 49 . GLU . 27651 1 50 . PRO . 27651 1 51 . ALA . 27651 1 52 . GLY . 27651 1 53 . ASN . 27651 1 54 . ARG . 27651 1 55 . THR . 27651 1 56 . ALA . 27651 1 57 . ASN . 27651 1 58 . SER . 27651 1 59 . GLU . 27651 1 60 . ASP . 27651 1 61 . SER . 27651 1 62 . ASP . 27651 1 63 . GLU . 27651 1 64 . GLN . 27651 1 65 . ASP . 27651 1 66 . PRO . 27651 1 67 . GLU . 27651 1 68 . GLU . 27651 1 69 . VAL . 27651 1 70 . THR . 27651 1 71 . TYR . 27651 1 72 . ALA . 27651 1 73 . GLN . 27651 1 74 . LEU . 27651 1 75 . ASP . 27651 1 76 . HIS . 27651 1 77 . CYS . 27651 1 78 . VAL . 27651 1 79 . PHE . 27651 1 80 . THR . 27651 1 81 . GLN . 27651 1 82 . ARG . 27651 1 83 . LYS . 27651 1 84 . ILE . 27651 1 85 . THR . 27651 1 86 . ARG . 27651 1 87 . PRO . 27651 1 88 . SER . 27651 1 89 . GLN . 27651 1 90 . ARG . 27651 1 91 . PRO . 27651 1 92 . LYS . 27651 1 93 . THR . 27651 1 94 . PRO . 27651 1 95 . PRO . 27651 1 96 . THR . 27651 1 97 . ASP . 27651 1 98 . THR . 27651 1 99 . ILE . 27651 1 100 . LEU . 27651 1 101 . TYR . 27651 1 102 . THR . 27651 1 103 . GLU . 27651 1 104 . LEU . 27651 1 105 . PRO . 27651 1 106 . ASN . 27651 1 107 . ALA . 27651 1 108 . LYS . 27651 1 109 . PRO . 27651 1 110 . ARG . 27651 1 111 . SER . 27651 1 112 . LYS . 27651 1 113 . VAL . 27651 1 114 . VAL . 27651 1 115 . SER . 27651 1 116 . CYS . 27651 1 117 . PRO . 27651 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 27651 1 . SER 2 2 27651 1 . GLY 3 3 27651 1 . MET 4 4 27651 1 . LYS 5 5 27651 1 . GLU 6 6 27651 1 . THR 7 7 27651 1 . ALA 8 8 27651 1 . ALA 9 9 27651 1 . ALA 10 10 27651 1 . LYS 11 11 27651 1 . PHE 12 12 27651 1 . GLU 13 13 27651 1 . ARG 14 14 27651 1 . GLN 15 15 27651 1 . ASP 16 16 27651 1 . MET 17 17 27651 1 . ASP 18 18 27651 1 . SER 19 19 27651 1 . PRO 20 20 27651 1 . ASP 21 21 27651 1 . LEU 22 22 27651 1 . GLY 23 23 27651 1 . THR 24 24 27651 1 . ASP 25 25 27651 1 . ASP 26 26 27651 1 . ASP 27 27 27651 1 . ASP 28 28 27651 1 . LYS 29 29 27651 1 . ALA 30 30 27651 1 . MET 31 31 27651 1 . GLU 32 32 27651 1 . PHE 33 33 27651 1 . HIS 34 34 27651 1 . LEU 35 35 27651 1 . TRP 36 36 27651 1 . CYS 37 37 27651 1 . SER 38 38 27651 1 . ASN 39 39 27651 1 . LYS 40 40 27651 1 . LYS 41 41 27651 1 . ASN 42 42 27651 1 . ALA 43 43 27651 1 . ALA 44 44 27651 1 . VAL 45 45 27651 1 . MET 46 46 27651 1 . ASP 47 47 27651 1 . GLN 48 48 27651 1 . GLU 49 49 27651 1 . PRO 50 50 27651 1 . ALA 51 51 27651 1 . GLY 52 52 27651 1 . ASN 53 53 27651 1 . ARG 54 54 27651 1 . THR 55 55 27651 1 . ALA 56 56 27651 1 . ASN 57 57 27651 1 . SER 58 58 27651 1 . GLU 59 59 27651 1 . ASP 60 60 27651 1 . SER 61 61 27651 1 . ASP 62 62 27651 1 . GLU 63 63 27651 1 . GLN 64 64 27651 1 . ASP 65 65 27651 1 . PRO 66 66 27651 1 . GLU 67 67 27651 1 . GLU 68 68 27651 1 . VAL 69 69 27651 1 . THR 70 70 27651 1 . TYR 71 71 27651 1 . ALA 72 72 27651 1 . GLN 73 73 27651 1 . LEU 74 74 27651 1 . ASP 75 75 27651 1 . HIS 76 76 27651 1 . CYS 77 77 27651 1 . VAL 78 78 27651 1 . PHE 79 79 27651 1 . THR 80 80 27651 1 . GLN 81 81 27651 1 . ARG 82 82 27651 1 . LYS 83 83 27651 1 . ILE 84 84 27651 1 . THR 85 85 27651 1 . ARG 86 86 27651 1 . PRO 87 87 27651 1 . SER 88 88 27651 1 . GLN 89 89 27651 1 . ARG 90 90 27651 1 . PRO 91 91 27651 1 . LYS 92 92 27651 1 . THR 93 93 27651 1 . PRO 94 94 27651 1 . PRO 95 95 27651 1 . THR 96 96 27651 1 . ASP 97 97 27651 1 . THR 98 98 27651 1 . ILE 99 99 27651 1 . LEU 100 100 27651 1 . TYR 101 101 27651 1 . THR 102 102 27651 1 . GLU 103 103 27651 1 . LEU 104 104 27651 1 . PRO 105 105 27651 1 . ASN 106 106 27651 1 . ALA 107 107 27651 1 . LYS 108 108 27651 1 . PRO 109 109 27651 1 . ARG 110 110 27651 1 . SER 111 111 27651 1 . LYS 112 112 27651 1 . VAL 113 113 27651 1 . VAL 114 114 27651 1 . SER 115 115 27651 1 . CYS 116 116 27651 1 . PRO 117 117 27651 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 27651 _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 $KIR3DL1-cyto . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27651 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 27651 _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 $KIR3DL1-cyto . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32b . . . 27651 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27651 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Cytoplasmic Region of KIR3DL1' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 KIR3DL1-cyto '[U-100% 13C; U-100% 15N]' . . 1 $KIR3DL1-cyto . . 1 . . mM . . . . 27651 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27651 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 27651 1 4 EDTA 'natural abundance' . . . . . . 3 . . mM . . . . 27651 1 5 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 27651 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27651 _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 pH 7.4 . pH 27651 1 pressure 1 . atm 27651 1 temperature 310 . K 27651 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27651 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.134 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27651 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27651 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 27651 _Software.ID 2 _Software.Type . _Software.Name Felix _Software.Version 2007 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 27651 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27651 2 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 27651 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27651 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27651 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 27651 _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 CON no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27651 1 2 CANCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27651 1 3 CANCOi no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27651 1 4 CBCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27651 1 5 CBCANCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27651 1 6 CCCON no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27651 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27651 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 27651 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . 27651 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 27651 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27651 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27651 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 CON . . . 27651 1 2 CANCO . . . 27651 1 3 CANCOi . . . 27651 1 4 CBCACO . . . 27651 1 5 CBCANCO . . . 27651 1 6 CCCON . . . 27651 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 1 1 GLY C C 13 172.118 0.03 . . . . . . . 1 GLY CO . 27651 1 2 . 1 1 1 1 GLY CA C 13 43.959 0.07 . . . . . . . 1 GLY CA . 27651 1 3 . 1 1 2 2 SER C C 13 174.991 0.00 . . . . . . . 2 SER CO . 27651 1 4 . 1 1 2 2 SER CA C 13 58.327 0.09 . . . . . . . 2 SER CA . 27651 1 5 . 1 1 2 2 SER CB C 13 63.775 0.23 . . . . . . . 2 SER CB . 27651 1 6 . 1 1 2 2 SER N N 15 115.635 0.03 . . . . . . . 2 SER N . 27651 1 7 . 1 1 3 3 GLY C C 13 174.084 0.01 . . . . . . . 3 GLY CO . 27651 1 8 . 1 1 3 3 GLY CA C 13 45.221 0.05 . . . . . . . 3 GLY CA . 27651 1 9 . 1 1 3 3 GLY N N 15 110.870 0.02 . . . . . . . 3 GLY N . 27651 1 10 . 1 1 4 4 MET C C 13 176.210 0.00 . . . . . . . 4 MET CO . 27651 1 11 . 1 1 4 4 MET CA C 13 55.495 0.10 . . . . . . . 4 MET CA . 27651 1 12 . 1 1 4 4 MET CB C 13 32.867 0.10 . . . . . . . 4 MET CB . 27651 1 13 . 1 1 4 4 MET CG C 13 31.874 0.00 . . . . . . . 4 MET CG . 27651 1 14 . 1 1 4 4 MET N N 15 119.824 0.03 . . . . . . . 4 MET N . 27651 1 15 . 1 1 5 5 LYS C C 13 176.531 0.01 . . . . . . . 5 LYS CO . 27651 1 16 . 1 1 5 5 LYS CA C 13 56.344 0.13 . . . . . . . 5 LYS CA . 27651 1 17 . 1 1 5 5 LYS CB C 13 32.850 0.06 . . . . . . . 5 LYS CB . 27651 1 18 . 1 1 5 5 LYS CG C 13 24.483 0.00 . . . . . . . 5 LYS CG . 27651 1 19 . 1 1 5 5 LYS CD C 13 28.716 0.00 . . . . . . . 5 LYS CD . 27651 1 20 . 1 1 5 5 LYS N N 15 122.339 0.04 . . . . . . . 5 LYS N . 27651 1 21 . 1 1 6 6 GLU C C 13 176.703 0.01 . . . . . . . 6 GLU CO . 27651 1 22 . 1 1 6 6 GLU CA C 13 56.655 0.11 . . . . . . . 6 GLU CA . 27651 1 23 . 1 1 6 6 GLU CB C 13 30.075 0.05 . . . . . . . 6 GLU CB . 27651 1 24 . 1 1 6 6 GLU CG C 13 36.164 0.00 . . . . . . . 6 GLU CG . 27651 1 25 . 1 1 6 6 GLU N N 15 122.035 0.05 . . . . . . . 6 GLU N . 27651 1 26 . 1 1 7 7 THR C C 13 174.438 0.01 . . . . . . . 7 THR CO . 27651 1 27 . 1 1 7 7 THR CA C 13 61.778 0.10 . . . . . . . 7 THR CA . 27651 1 28 . 1 1 7 7 THR CB C 13 69.642 0.16 . . . . . . . 7 THR CB . 27651 1 29 . 1 1 7 7 THR CG2 C 13 21.431 0.00 . . . . . . . 7 THR CG2 . 27651 1 30 . 1 1 7 7 THR N N 15 114.912 0.04 . . . . . . . 7 THR N . 27651 1 31 . 1 1 8 8 ALA C C 13 177.198 0.01 . . . . . . . 8 ALA CO . 27651 1 32 . 1 1 8 8 ALA CA C 13 52.558 0.10 . . . . . . . 8 ALA CA . 27651 1 33 . 1 1 8 8 ALA CB C 13 19.077 0.13 . . . . . . . 8 ALA CB . 27651 1 34 . 1 1 8 8 ALA N N 15 126.035 0.03 . . . . . . . 8 ALA N . 27651 1 35 . 1 1 9 9 ALA C C 13 177.623 0.05 . . . . . . . 9 ALA CO . 27651 1 36 . 1 1 9 9 ALA CA C 13 52.627 0.19 . . . . . . . 9 ALA CA . 27651 1 37 . 1 1 9 9 ALA CB C 13 18.954 0.04 . . . . . . . 9 ALA CB . 27651 1 38 . 1 1 9 9 ALA N N 15 122.408 0.04 . . . . . . . 9 ALA N . 27651 1 39 . 1 1 10 10 ALA C C 13 177.711 0.01 . . . . . . . 10 ALA CO . 27651 1 40 . 1 1 10 10 ALA CA C 13 52.540 0.04 . . . . . . . 10 ALA CA . 27651 1 41 . 1 1 10 10 ALA CB C 13 19.033 0.03 . . . . . . . 10 ALA CB . 27651 1 42 . 1 1 10 10 ALA N N 15 122.553 0.07 . . . . . . . 10 ALA N . 27651 1 43 . 1 1 11 11 LYS C C 13 176.292 0.01 . . . . . . . 11 LYS CO . 27651 1 44 . 1 1 11 11 LYS CA C 13 56.416 0.20 . . . . . . . 11 LYS CA . 27651 1 45 . 1 1 11 11 LYS CB C 13 32.789 0.09 . . . . . . . 11 LYS CB . 27651 1 46 . 1 1 11 11 LYS CG C 13 24.543 0.00 . . . . . . . 11 LYS CG . 27651 1 47 . 1 1 11 11 LYS CD C 13 28.893 0.00 . . . . . . . 11 LYS CD . 27651 1 48 . 1 1 11 11 LYS N N 15 119.453 0.05 . . . . . . . 11 LYS N . 27651 1 49 . 1 1 12 12 PHE C C 13 175.658 0.01 . . . . . . . 12 PHE CO . 27651 1 50 . 1 1 12 12 PHE CA C 13 57.495 0.23 . . . . . . . 12 PHE CA . 27651 1 51 . 1 1 12 12 PHE CB C 13 39.227 0.21 . . . . . . . 12 PHE CB . 27651 1 52 . 1 1 12 12 PHE N N 15 120.226 0.04 . . . . . . . 12 PHE N . 27651 1 53 . 1 1 13 13 GLU CA C 13 56.456 0.08 . . . . . . . 13 GLU CA . 27651 1 54 . 1 1 13 13 GLU CB C 13 30.132 0.00 . . . . . . . 13 GLU CB . 27651 1 55 . 1 1 13 13 GLU N N 15 122.103 0.04 . . . . . . . 13 GLU N . 27651 1 56 . 1 1 14 14 ARG C C 13 175.829 0.01 . . . . . . . 14 ARG CO . 27651 1 57 . 1 1 14 14 ARG CA C 13 56.100 0.11 . . . . . . . 14 ARG CA . 27651 1 58 . 1 1 14 14 ARG CB C 13 30.702 0.19 . . . . . . . 14 ARG CB . 27651 1 59 . 1 1 15 15 GLN CA C 13 56.089 0.05 . . . . . . . 15 GLN CA . 27651 1 60 . 1 1 15 15 GLN N N 15 122.306 0.09 . . . . . . . 15 GLN N . 27651 1 61 . 1 1 16 16 ASP C C 13 176.126 0.00 . . . . . . . 16 ASP CO . 27651 1 62 . 1 1 17 17 MET C C 13 175.513 0.01 . . . . . . . 17 MET CO . 27651 1 63 . 1 1 17 17 MET CA C 13 55.388 0.11 . . . . . . . 17 MET CA . 27651 1 64 . 1 1 17 17 MET CB C 13 32.737 0.27 . . . . . . . 17 MET CB . 27651 1 65 . 1 1 17 17 MET CG C 13 31.767 0.00 . . . . . . . 17 MET CG . 27651 1 66 . 1 1 18 18 ASP C C 13 175.758 0.01 . . . . . . . 18 ASP CO . 27651 1 67 . 1 1 18 18 ASP CA C 13 54.355 0.05 . . . . . . . 18 ASP CA . 27651 1 68 . 1 1 18 18 ASP CB C 13 41.141 0.08 . . . . . . . 18 ASP CB . 27651 1 69 . 1 1 18 18 ASP N N 15 121.058 0.04 . . . . . . . 18 ASP N . 27651 1 70 . 1 1 19 19 SER C C 13 172.846 0.01 . . . . . . . 19 SER CO . 27651 1 71 . 1 1 19 19 SER CA C 13 55.984 0.09 . . . . . . . 19 SER CA . 27651 1 72 . 1 1 19 19 SER CB C 13 63.524 0.13 . . . . . . . 19 SER CB . 27651 1 73 . 1 1 19 19 SER N N 15 116.044 0.04 . . . . . . . 19 SER N . 27651 1 74 . 1 1 20 20 PRO C C 13 176.400 0.00 . . . . . . . 20 PRO CO . 27651 1 75 . 1 1 20 20 PRO CA C 13 63.238 0.11 . . . . . . . 20 PRO CA . 27651 1 76 . 1 1 20 20 PRO CB C 13 31.848 0.06 . . . . . . . 20 PRO CB . 27651 1 77 . 1 1 20 20 PRO CG C 13 26.841 0.11 . . . . . . . 20 PRO CG . 27651 1 78 . 1 1 20 20 PRO CD C 13 50.425 0.08 . . . . . . . 20 PRO CD . 27651 1 79 . 1 1 20 20 PRO N N 15 137.276 0.22 . . . . . . . 20 PRO N . 27651 1 80 . 1 1 21 21 ASP C C 13 176.096 0.01 . . . . . . . 21 ASP CO . 27651 1 81 . 1 1 21 21 ASP CA C 13 54.143 0.04 . . . . . . . 21 ASP CA . 27651 1 82 . 1 1 21 21 ASP CB C 13 40.950 0.05 . . . . . . . 21 ASP CB . 27651 1 83 . 1 1 21 21 ASP N N 15 119.603 0.04 . . . . . . . 21 ASP N . 27651 1 84 . 1 1 22 22 LEU C C 13 177.809 0.01 . . . . . . . 22 LEU CO . 27651 1 85 . 1 1 22 22 LEU CA C 13 55.006 0.16 . . . . . . . 22 LEU CA . 27651 1 86 . 1 1 22 22 LEU CB C 13 42.169 0.23 . . . . . . . 22 LEU CB . 27651 1 87 . 1 1 22 22 LEU CG C 13 26.626 0.00 . . . . . . . 22 LEU CG . 27651 1 88 . 1 1 22 22 LEU CD1 C 13 24.991 0.00 . . . . . . . 22 LEU CD . 27651 1 89 . 1 1 22 22 LEU CD2 C 13 24.991 0.00 . . . . . . . 22 LEU CD . 27651 1 90 . 1 1 22 22 LEU N N 15 122.590 0.05 . . . . . . . 22 LEU N . 27651 1 91 . 1 1 23 23 GLY C C 13 174.324 0.01 . . . . . . . 23 GLY CO . 27651 1 92 . 1 1 23 23 GLY CA C 13 45.283 0.06 . . . . . . . 23 GLY CA . 27651 1 93 . 1 1 23 23 GLY N N 15 109.216 0.07 . . . . . . . 23 GLY N . 27651 1 94 . 1 1 24 24 THR C C 13 173.997 0.01 . . . . . . . 24 THR CO . 27651 1 95 . 1 1 24 24 THR CA C 13 61.520 0.19 . . . . . . . 24 THR CA . 27651 1 96 . 1 1 24 24 THR CB C 13 69.738 0.18 . . . . . . . 24 THR CB . 27651 1 97 . 1 1 24 24 THR N N 15 112.635 0.03 . . . . . . . 24 THR N . 27651 1 98 . 1 1 25 25 ASP C C 13 176.137 0.01 . . . . . . . 25 ASP CO . 27651 1 99 . 1 1 25 25 ASP CA C 13 53.937 0.28 . . . . . . . 25 ASP CA . 27651 1 100 . 1 1 25 25 ASP CB C 13 41.845 0.65 . . . . . . . 25 ASP CB . 27651 1 101 . 1 1 25 25 ASP N N 15 124.423 0.09 . . . . . . . 25 ASP N . 27651 1 102 . 1 1 26 26 ASP C C 13 175.974 0.01 . . . . . . . 26 ASP CO . 27651 1 103 . 1 1 26 26 ASP CA C 13 54.461 0.07 . . . . . . . 26 ASP CA . 27651 1 104 . 1 1 26 26 ASP CB C 13 41.192 0.03 . . . . . . . 26 ASP CB . 27651 1 105 . 1 1 26 26 ASP N N 15 120.724 0.04 . . . . . . . 26 ASP N . 27651 1 106 . 1 1 27 27 ASP C C 13 176.458 0.01 . . . . . . . 27 ASP CO . 27651 1 107 . 1 1 27 27 ASP CA C 13 54.944 0.05 . . . . . . . 27 ASP CA . 27651 1 108 . 1 1 27 27 ASP CB C 13 41.139 0.03 . . . . . . . 27 ASP CB . 27651 1 109 . 1 1 27 27 ASP N N 15 120.311 0.04 . . . . . . . 27 ASP N . 27651 1 110 . 1 1 28 28 ASP C C 13 177.041 0.01 . . . . . . . 28 ASP CO . 27651 1 111 . 1 1 28 28 ASP CA C 13 55.019 0.15 . . . . . . . 28 ASP CA . 27651 1 112 . 1 1 28 28 ASP CB C 13 40.725 0.10 . . . . . . . 28 ASP CB . 27651 1 113 . 1 1 28 28 ASP N N 15 120.592 0.04 . . . . . . . 28 ASP N . 27651 1 114 . 1 1 29 29 LYS C C 13 177.129 0.01 . . . . . . . 29 LYS CO . 27651 1 115 . 1 1 29 29 LYS CA C 13 56.696 0.13 . . . . . . . 29 LYS CA . 27651 1 116 . 1 1 29 29 LYS CB C 13 32.068 0.10 . . . . . . . 29 LYS CB . 27651 1 117 . 1 1 29 29 LYS CG C 13 24.409 0.00 . . . . . . . 29 LYS CG . 27651 1 118 . 1 1 29 29 LYS N N 15 120.665 0.05 . . . . . . . 29 LYS N . 27651 1 119 . 1 1 30 30 ALA C C 13 178.395 0.01 . . . . . . . 30 ALA CO . 27651 1 120 . 1 1 30 30 ALA CA C 13 53.184 0.06 . . . . . . . 30 ALA CA . 27651 1 121 . 1 1 30 30 ALA CB C 13 18.684 0.04 . . . . . . . 30 ALA CB . 27651 1 122 . 1 1 30 30 ALA N N 15 123.081 0.06 . . . . . . . 30 ALA N . 27651 1 123 . 1 1 31 31 MET C C 13 176.757 0.01 . . . . . . . 31 MET CO . 27651 1 124 . 1 1 31 31 MET CA C 13 56.150 0.09 . . . . . . . 31 MET CA . 27651 1 125 . 1 1 31 31 MET CB C 13 32.233 0.13 . . . . . . . 31 MET CB . 27651 1 126 . 1 1 31 31 MET N N 15 118.134 0.06 . . . . . . . 31 MET N . 27651 1 127 . 1 1 32 32 GLU C C 13 176.829 0.01 . . . . . . . 32 GLU CO . 27651 1 128 . 1 1 32 32 GLU CA C 13 57.367 0.09 . . . . . . . 32 GLU CA . 27651 1 129 . 1 1 32 32 GLU CB C 13 29.853 0.06 . . . . . . . 32 GLU CB . 27651 1 130 . 1 1 32 32 GLU CG C 13 36.162 0.00 . . . . . . . 32 GLU CG . 27651 1 131 . 1 1 32 32 GLU N N 15 120.576 0.06 . . . . . . . 32 GLU N . 27651 1 132 . 1 1 33 33 PHE CA C 13 58.728 0.09 . . . . . . . 33 PHE CA . 27651 1 133 . 1 1 33 33 PHE CB C 13 39.154 0.00 . . . . . . . 33 PHE CB . 27651 1 134 . 1 1 33 33 PHE N N 15 119.884 0.07 . . . . . . . 33 PHE N . 27651 1 135 . 1 1 35 35 LEU C C 13 177.593 0.01 . . . . . . . 35 LEU CO . 27651 1 136 . 1 1 35 35 LEU CA C 13 55.900 0.07 . . . . . . . 35 LEU CA . 27651 1 137 . 1 1 35 35 LEU CB C 13 41.805 0.05 . . . . . . . 35 LEU CB . 27651 1 138 . 1 1 35 35 LEU CG C 13 26.397 0.00 . . . . . . . 35 LEU CG . 27651 1 139 . 1 1 36 36 TRP C C 13 176.647 0.01 . . . . . . . 36 TRP CO . 27651 1 140 . 1 1 36 36 TRP CA C 13 57.883 0.07 . . . . . . . 36 TRP CA . 27651 1 141 . 1 1 36 36 TRP CB C 13 29.184 0.04 . . . . . . . 36 TRP CB . 27651 1 142 . 1 1 36 36 TRP N N 15 120.184 0.05 . . . . . . . 36 TRP N . 27651 1 143 . 1 1 37 37 CYS C C 13 174.863 0.01 . . . . . . . 37 CYS CO . 27651 1 144 . 1 1 37 37 CYS CA C 13 59.060 0.22 . . . . . . . 37 CYS CA . 27651 1 145 . 1 1 37 37 CYS CB C 13 27.702 0.05 . . . . . . . 37 CYS CB . 27651 1 146 . 1 1 37 37 CYS N N 15 118.852 0.05 . . . . . . . 37 CYS N . 27651 1 147 . 1 1 38 38 SER C C 13 174.454 0.01 . . . . . . . 38 SER CO . 27651 1 148 . 1 1 38 38 SER CA C 13 58.957 0.10 . . . . . . . 38 SER CA . 27651 1 149 . 1 1 38 38 SER CB C 13 63.393 0.24 . . . . . . . 38 SER CB . 27651 1 150 . 1 1 38 38 SER N N 15 116.921 0.06 . . . . . . . 38 SER N . 27651 1 151 . 1 1 39 39 ASN C C 13 175.274 0.01 . . . . . . . 39 ASN CO . 27651 1 152 . 1 1 39 39 ASN CA C 13 53.393 0.07 . . . . . . . 39 ASN CA . 27651 1 153 . 1 1 39 39 ASN CB C 13 38.512 0.18 . . . . . . . 39 ASN CB . 27651 1 154 . 1 1 39 39 ASN N N 15 120.232 0.06 . . . . . . . 39 ASN N . 27651 1 155 . 1 1 40 40 LYS C C 13 176.604 0.01 . . . . . . . 40 LYS CO . 27651 1 156 . 1 1 40 40 LYS CA C 13 56.484 0.11 . . . . . . . 40 LYS CA . 27651 1 157 . 1 1 40 40 LYS CB C 13 32.602 0.06 . . . . . . . 40 LYS CB . 27651 1 158 . 1 1 40 40 LYS CG C 13 24.542 0.00 . . . . . . . 40 LYS CG . 27651 1 159 . 1 1 40 40 LYS N N 15 120.964 0.06 . . . . . . . 40 LYS N . 27651 1 160 . 1 1 41 41 LYS C C 13 176.355 0.01 . . . . . . . 41 LYS CO . 27651 1 161 . 1 1 41 41 LYS CA C 13 56.486 0.14 . . . . . . . 41 LYS CA . 27651 1 162 . 1 1 41 41 LYS CB C 13 32.661 0.00 . . . . . . . 41 LYS CB . 27651 1 163 . 1 1 41 41 LYS CG C 13 24.576 0.00 . . . . . . . 41 LYS CG . 27651 1 164 . 1 1 41 41 LYS N N 15 121.294 0.08 . . . . . . . 41 LYS N . 27651 1 165 . 1 1 42 42 ASN C C 13 174.847 0.01 . . . . . . . 42 ASN CO . 27651 1 166 . 1 1 42 42 ASN CA C 13 53.233 0.18 . . . . . . . 42 ASN CA . 27651 1 167 . 1 1 42 42 ASN CB C 13 38.682 0.03 . . . . . . . 42 ASN CB . 27651 1 168 . 1 1 42 42 ASN N N 15 119.167 0.06 . . . . . . . 42 ASN N . 27651 1 169 . 1 1 43 43 ALA C C 13 177.601 0.05 . . . . . . . 43 ALA CO . 27651 1 170 . 1 1 43 43 ALA CA C 13 52.773 0.10 . . . . . . . 43 ALA CA . 27651 1 171 . 1 1 43 43 ALA CB C 13 19.000 0.13 . . . . . . . 43 ALA CB . 27651 1 172 . 1 1 43 43 ALA N N 15 124.126 0.03 . . . . . . . 43 ALA N . 27651 1 173 . 1 1 44 44 ALA C C 13 177.637 0.01 . . . . . . . 44 ALA CO . 27651 1 174 . 1 1 44 44 ALA CA C 13 52.527 0.13 . . . . . . . 44 ALA CA . 27651 1 175 . 1 1 44 44 ALA CB C 13 18.994 0.06 . . . . . . . 44 ALA CB . 27651 1 176 . 1 1 44 44 ALA N N 15 122.535 0.06 . . . . . . . 44 ALA N . 27651 1 177 . 1 1 45 45 VAL C C 13 176.143 0.01 . . . . . . . 45 VAL CO . 27651 1 178 . 1 1 45 45 VAL CA C 13 62.166 0.10 . . . . . . . 45 VAL CA . 27651 1 179 . 1 1 45 45 VAL CB C 13 32.552 0.03 . . . . . . . 45 VAL CB . 27651 1 180 . 1 1 45 45 VAL CG1 C 13 20.975 0.00 . . . . . . . 45 VAL CG1 . 27651 1 181 . 1 1 45 45 VAL CG2 C 13 20.570 0.00 . . . . . . . 45 VAL CG2 . 27651 1 182 . 1 1 45 45 VAL N N 15 118.376 0.04 . . . . . . . 45 VAL N . 27651 1 183 . 1 1 46 46 MET C C 13 175.780 0.01 . . . . . . . 46 MET CO . 27651 1 184 . 1 1 46 46 MET CA C 13 55.306 0.07 . . . . . . . 46 MET CA . 27651 1 185 . 1 1 46 46 MET CB C 13 32.813 0.14 . . . . . . . 46 MET CB . 27651 1 186 . 1 1 46 46 MET CG C 13 31.810 0.00 . . . . . . . 46 MET CG . 27651 1 187 . 1 1 46 46 MET N N 15 123.261 0.05 . . . . . . . 46 MET N . 27651 1 188 . 1 1 47 47 ASP CA C 13 54.500 0.10 . . . . . . . 47 ASP CA . 27651 1 189 . 1 1 47 47 ASP CB C 13 41.294 0.00 . . . . . . . 47 ASP CB . 27651 1 190 . 1 1 47 47 ASP N N 15 121.215 0.04 . . . . . . . 47 ASP N . 27651 1 191 . 1 1 48 48 GLN C C 13 175.598 0.00 . . . . . . . 48 GLN CO . 27651 1 192 . 1 1 48 48 GLN CA C 13 55.420 0.13 . . . . . . . 48 GLN CA . 27651 1 193 . 1 1 48 48 GLN CB C 13 29.736 0.04 . . . . . . . 48 GLN CB . 27651 1 194 . 1 1 48 48 GLN CG C 13 33.638 0.00 . . . . . . . 48 GLN CG . 27651 1 195 . 1 1 49 49 GLU C C 13 174.596 0.01 . . . . . . . 49 GLU CO . 27651 1 196 . 1 1 49 49 GLU CA C 13 54.413 0.19 . . . . . . . 49 GLU CA . 27651 1 197 . 1 1 49 49 GLU CB C 13 29.556 0.04 . . . . . . . 49 GLU CB . 27651 1 198 . 1 1 49 49 GLU CG C 13 35.839 0.00 . . . . . . . 49 GLU CG . 27651 1 199 . 1 1 49 49 GLU N N 15 123.235 0.04 . . . . . . . 49 GLU N . 27651 1 200 . 1 1 50 50 PRO C C 13 176.785 0.01 . . . . . . . 50 PRO CO . 27651 1 201 . 1 1 50 50 PRO CA C 13 63.197 0.12 . . . . . . . 50 PRO CA . 27651 1 202 . 1 1 50 50 PRO CB C 13 31.974 0.20 . . . . . . . 50 PRO CB . 27651 1 203 . 1 1 50 50 PRO CG C 13 26.949 0.18 . . . . . . . 50 PRO CG . 27651 1 204 . 1 1 50 50 PRO CD C 13 50.456 0.00 . . . . . . . 50 PRO CD . 27651 1 205 . 1 1 50 50 PRO N N 15 137.449 0.24 . . . . . . . 50 PRO N . 27651 1 206 . 1 1 51 51 ALA C C 13 178.334 0.01 . . . . . . . 51 ALA CO . 27651 1 207 . 1 1 51 51 ALA CA C 13 52.573 0.17 . . . . . . . 51 ALA CA . 27651 1 208 . 1 1 51 51 ALA CB C 13 19.018 0.08 . . . . . . . 51 ALA CB . 27651 1 209 . 1 1 51 51 ALA N N 15 124.077 0.05 . . . . . . . 51 ALA N . 27651 1 210 . 1 1 52 52 GLY C C 13 173.899 0.01 . . . . . . . 52 GLY CO . 27651 1 211 . 1 1 52 52 GLY CA C 13 45.249 0.02 . . . . . . . 52 GLY CA . 27651 1 212 . 1 1 52 52 GLY N N 15 107.409 0.03 . . . . . . . 52 GLY N . 27651 1 213 . 1 1 53 53 ASN C C 13 175.184 0.01 . . . . . . . 53 ASN CO . 27651 1 214 . 1 1 53 53 ASN CA C 13 53.098 0.11 . . . . . . . 53 ASN CA . 27651 1 215 . 1 1 53 53 ASN CB C 13 38.721 0.10 . . . . . . . 53 ASN CB . 27651 1 216 . 1 1 53 53 ASN N N 15 118.427 0.03 . . . . . . . 53 ASN N . 27651 1 217 . 1 1 54 54 ARG C C 13 176.368 0.01 . . . . . . . 54 ARG CO . 27651 1 218 . 1 1 54 54 ARG CA C 13 56.019 0.13 . . . . . . . 54 ARG CA . 27651 1 219 . 1 1 54 54 ARG CB C 13 30.718 0.10 . . . . . . . 54 ARG CB . 27651 1 220 . 1 1 54 54 ARG CG C 13 26.893 0.00 . . . . . . . 54 ARG CG . 27651 1 221 . 1 1 54 54 ARG CD C 13 43.183 0.00 . . . . . . . 54 ARG CD . 27651 1 222 . 1 1 54 54 ARG N N 15 121.157 0.04 . . . . . . . 54 ARG N . 27651 1 223 . 1 1 55 55 THR C C 13 174.249 0.01 . . . . . . . 55 THR CO . 27651 1 224 . 1 1 55 55 THR CA C 13 61.617 0.10 . . . . . . . 55 THR CA . 27651 1 225 . 1 1 55 55 THR CB C 13 69.744 0.11 . . . . . . . 55 THR CB . 27651 1 226 . 1 1 55 55 THR CG2 C 13 21.444 0.00 . . . . . . . 55 THR CG2 . 27651 1 227 . 1 1 55 55 THR N N 15 115.200 0.05 . . . . . . . 55 THR N . 27651 1 228 . 1 1 56 56 ALA C C 13 177.223 0.01 . . . . . . . 56 ALA CO . 27651 1 229 . 1 1 56 56 ALA CA C 13 52.355 0.10 . . . . . . . 56 ALA CA . 27651 1 230 . 1 1 56 56 ALA CB C 13 19.157 0.06 . . . . . . . 56 ALA CB . 27651 1 231 . 1 1 56 56 ALA N N 15 126.004 0.03 . . . . . . . 56 ALA N . 27651 1 232 . 1 1 57 57 ASN C C 13 175.241 0.01 . . . . . . . 57 ASN CO . 27651 1 233 . 1 1 57 57 ASN CA C 13 53.084 0.13 . . . . . . . 57 ASN CA . 27651 1 234 . 1 1 57 57 ASN CB C 13 38.829 0.15 . . . . . . . 57 ASN CB . 27651 1 235 . 1 1 57 57 ASN N N 15 117.926 0.04 . . . . . . . 57 ASN N . 27651 1 236 . 1 1 58 58 SER C C 13 174.547 0.01 . . . . . . . 58 SER CO . 27651 1 237 . 1 1 58 58 SER CA C 13 58.399 0.11 . . . . . . . 58 SER CA . 27651 1 238 . 1 1 58 58 SER CB C 13 63.584 0.14 . . . . . . . 58 SER CB . 27651 1 239 . 1 1 58 58 SER N N 15 116.181 0.03 . . . . . . . 58 SER N . 27651 1 240 . 1 1 59 59 GLU C C 13 174.812 0.01 . . . . . . . 59 GLU CO . 27651 1 241 . 1 1 59 59 GLU CA C 13 55.528 0.06 . . . . . . . 59 GLU CA . 27651 1 242 . 1 1 59 59 GLU CB C 13 29.619 0.15 . . . . . . . 59 GLU CB . 27651 1 243 . 1 1 59 59 GLU CG C 13 33.710 0.00 . . . . . . . 59 GLU CG . 27651 1 244 . 1 1 59 59 GLU N N 15 121.699 0.05 . . . . . . . 59 GLU N . 27651 1 245 . 1 1 60 60 ASP C C 13 176.123 0.01 . . . . . . . 60 ASP CO . 27651 1 246 . 1 1 60 60 ASP CA C 13 54.231 0.26 . . . . . . . 60 ASP CA . 27651 1 247 . 1 1 60 60 ASP CB C 13 41.133 0.11 . . . . . . . 60 ASP CB . 27651 1 248 . 1 1 60 60 ASP N N 15 121.551 0.03 . . . . . . . 60 ASP N . 27651 1 249 . 1 1 61 61 SER C C 13 174.266 0.01 . . . . . . . 61 SER CO . 27651 1 250 . 1 1 61 61 SER CA C 13 58.139 0.12 . . . . . . . 61 SER CA . 27651 1 251 . 1 1 61 61 SER CB C 13 63.985 0.05 . . . . . . . 61 SER CB . 27651 1 252 . 1 1 61 61 SER N N 15 115.541 0.03 . . . . . . . 61 SER N . 27651 1 253 . 1 1 62 62 ASP C C 13 175.867 0.01 . . . . . . . 62 ASP CO . 27651 1 254 . 1 1 62 62 ASP CA C 13 54.445 0.09 . . . . . . . 62 ASP CA . 27651 1 255 . 1 1 62 62 ASP CB C 13 41.080 0.06 . . . . . . . 62 ASP CB . 27651 1 256 . 1 1 62 62 ASP N N 15 122.618 0.03 . . . . . . . 62 ASP N . 27651 1 257 . 1 1 63 63 GLU CA C 13 55.236 0.15 . . . . . . . 63 GLU CA . 27651 1 258 . 1 1 63 63 GLU CB C 13 29.733 0.00 . . . . . . . 63 GLU CB . 27651 1 259 . 1 1 63 63 GLU N N 15 119.441 0.04 . . . . . . . 63 GLU N . 27651 1 260 . 1 1 64 64 GLN C C 13 175.868 0.01 . . . . . . . 64 GLN CO . 27651 1 261 . 1 1 64 64 GLN CA C 13 56.031 0.07 . . . . . . . 64 GLN CA . 27651 1 262 . 1 1 64 64 GLN CB C 13 30.323 0.12 . . . . . . . 64 GLN CB . 27651 1 263 . 1 1 64 64 GLN CG C 13 36.041 0.00 . . . . . . . 64 GLN CG . 27651 1 264 . 1 1 65 65 ASP C C 13 175.424 0.01 . . . . . . . 65 ASP CO . 27651 1 265 . 1 1 65 65 ASP CA C 13 53.014 0.12 . . . . . . . 65 ASP CA . 27651 1 266 . 1 1 65 65 ASP CB C 13 41.446 0.09 . . . . . . . 65 ASP CB . 27651 1 267 . 1 1 65 65 ASP N N 15 124.419 0.05 . . . . . . . 65 ASP N . 27651 1 268 . 1 1 66 66 PRO C C 13 177.231 0.01 . . . . . . . 66 PRO CO . 27651 1 269 . 1 1 66 66 PRO CA C 13 63.339 0.19 . . . . . . . 66 PRO CA . 27651 1 270 . 1 1 66 66 PRO CB C 13 31.999 0.23 . . . . . . . 66 PRO CB . 27651 1 271 . 1 1 66 66 PRO CG C 13 27.009 0.00 . . . . . . . 66 PRO CG . 27651 1 272 . 1 1 66 66 PRO CD C 13 49.015 1.53 . . . . . . . 66 PRO CD . 27651 1 273 . 1 1 66 66 PRO N N 15 135.461 0.27 . . . . . . . 66 PRO N . 27651 1 274 . 1 1 67 67 GLU C C 13 176.721 0.01 . . . . . . . 67 GLU CO . 27651 1 275 . 1 1 67 67 GLU CA C 13 56.811 0.15 . . . . . . . 67 GLU CA . 27651 1 276 . 1 1 67 67 GLU CB C 13 29.977 0.15 . . . . . . . 67 GLU CB . 27651 1 277 . 1 1 67 67 GLU CG C 13 36.480 0.11 . . . . . . . 67 GLU CG . 27651 1 278 . 1 1 67 67 GLU N N 15 119.630 0.05 . . . . . . . 67 GLU N . 27651 1 279 . 1 1 68 68 GLU C C 13 176.554 0.01 . . . . . . . 68 GLU CO . 27651 1 280 . 1 1 68 68 GLU CA C 13 56.719 0.16 . . . . . . . 68 GLU CA . 27651 1 281 . 1 1 68 68 GLU CB C 13 30.145 0.16 . . . . . . . 68 GLU CB . 27651 1 282 . 1 1 68 68 GLU CG C 13 36.154 0.00 . . . . . . . 68 GLU CG . 27651 1 283 . 1 1 68 68 GLU N N 15 120.929 0.06 . . . . . . . 68 GLU N . 27651 1 284 . 1 1 69 69 VAL C C 13 176.202 0.01 . . . . . . . 69 VAL CO . 27651 1 285 . 1 1 69 69 VAL CA C 13 62.395 0.13 . . . . . . . 69 VAL CA . 27651 1 286 . 1 1 69 69 VAL CB C 13 32.565 0.14 . . . . . . . 69 VAL CB . 27651 1 287 . 1 1 69 69 VAL CG1 C 13 20.580 0.00 . . . . . . . 69 VAL CG# . 27651 1 288 . 1 1 69 69 VAL CG2 C 13 20.580 0.00 . . . . . . . 69 VAL CG# . 27651 1 289 . 1 1 69 69 VAL N N 15 120.558 0.09 . . . . . . . 69 VAL N . 27651 1 290 . 1 1 70 70 THR C C 13 174.383 0.01 . . . . . . . 70 THR CO . 27651 1 291 . 1 1 70 70 THR CA C 13 61.995 0.09 . . . . . . . 70 THR CA . 27651 1 292 . 1 1 70 70 THR CB C 13 69.462 0.12 . . . . . . . 70 THR CB . 27651 1 293 . 1 1 70 70 THR N N 15 116.793 0.05 . . . . . . . 70 THR N . 27651 1 294 . 1 1 71 71 TYR CA C 13 57.734 0.00 . . . . . . . 71 TYR CA . 27651 1 295 . 1 1 71 71 TYR CB C 13 38.522 0.00 . . . . . . . 71 TYR CB . 27651 1 296 . 1 1 71 71 TYR N N 15 121.724 0.09 . . . . . . . 71 TYR N . 27651 1 297 . 1 1 72 72 ALA C C 13 177.324 0.01 . . . . . . . 72 ALA CO . 27651 1 298 . 1 1 72 72 ALA CA C 13 52.634 0.07 . . . . . . . 72 ALA CA . 27651 1 299 . 1 1 72 72 ALA CB C 13 19.121 0.06 . . . . . . . 72 ALA CB . 27651 1 300 . 1 1 73 73 GLN C C 13 175.894 0.01 . . . . . . . 73 GLN CO . 27651 1 301 . 1 1 73 73 GLN CA C 13 55.682 0.15 . . . . . . . 73 GLN CA . 27651 1 302 . 1 1 73 73 GLN CB C 13 29.114 0.19 . . . . . . . 73 GLN CB . 27651 1 303 . 1 1 73 73 GLN CG C 13 33.719 0.00 . . . . . . . 73 GLN CG . 27651 1 304 . 1 1 73 73 GLN N N 15 118.331 0.03 . . . . . . . 73 GLN N . 27651 1 305 . 1 1 74 74 LEU C C 13 176.950 0.01 . . . . . . . 74 LEU CO . 27651 1 306 . 1 1 74 74 LEU CA C 13 55.377 0.14 . . . . . . . 74 LEU CA . 27651 1 307 . 1 1 74 74 LEU CB C 13 42.404 0.09 . . . . . . . 74 LEU CB . 27651 1 308 . 1 1 74 74 LEU CG C 13 26.520 0.00 . . . . . . . 74 LEU CG . 27651 1 309 . 1 1 74 74 LEU N N 15 122.499 0.03 . . . . . . . 74 LEU N . 27651 1 310 . 1 1 75 75 ASP C C 13 176.065 0.01 . . . . . . . 75 ASP CO . 27651 1 311 . 1 1 75 75 ASP CA C 13 54.388 0.10 . . . . . . . 75 ASP CA . 27651 1 312 . 1 1 75 75 ASP CB C 13 40.870 0.31 . . . . . . . 75 ASP CB . 27651 1 313 . 1 1 75 75 ASP N N 15 119.884 0.05 . . . . . . . 75 ASP N . 27651 1 314 . 1 1 76 76 HIS C C 13 175.270 0.01 . . . . . . . 76 HIS CO . 27651 1 315 . 1 1 76 76 HIS CA C 13 56.624 0.14 . . . . . . . 76 HIS CA . 27651 1 316 . 1 1 76 76 HIS CB C 13 30.382 0.13 . . . . . . . 76 HIS CB . 27651 1 317 . 1 1 76 76 HIS N N 15 118.764 0.05 . . . . . . . 76 HIS N . 27651 1 318 . 1 1 77 77 CYS C C 13 174.746 0.01 . . . . . . . 77 CYS CO . 27651 1 319 . 1 1 77 77 CYS CA C 13 59.039 0.04 . . . . . . . 77 CYS CA . 27651 1 320 . 1 1 77 77 CYS CB C 13 27.876 0.05 . . . . . . . 77 CYS CB . 27651 1 321 . 1 1 77 77 CYS N N 15 119.668 0.07 . . . . . . . 77 CYS N . 27651 1 322 . 1 1 78 78 VAL C C 13 175.974 0.01 . . . . . . . 78 VAL CO . 27651 1 323 . 1 1 78 78 VAL CA C 13 62.780 0.07 . . . . . . . 78 VAL CA . 27651 1 324 . 1 1 78 78 VAL CB C 13 31.351 1.46 . . . . . . . 78 VAL CB . 27651 1 325 . 1 1 78 78 VAL CG1 C 13 20.700 0.00 . . . . . . . 78 VAL CG# . 27651 1 326 . 1 1 78 78 VAL CG2 C 13 20.700 0.00 . . . . . . . 78 VAL CG# . 27651 1 327 . 1 1 78 78 VAL N N 15 121.350 0.07 . . . . . . . 78 VAL N . 27651 1 328 . 1 1 79 79 PHE CA C 13 57.912 0.14 . . . . . . . 79 PHE CA . 27651 1 329 . 1 1 79 79 PHE CB C 13 39.104 0.00 . . . . . . . 79 PHE CB . 27651 1 330 . 1 1 79 79 PHE N N 15 122.441 0.04 . . . . . . . 79 PHE N . 27651 1 331 . 1 1 80 80 THR C C 13 174.317 0.00 . . . . . . . 80 THR CO . 27651 1 332 . 1 1 80 80 THR CA C 13 62.055 0.08 . . . . . . . 80 THR CA . 27651 1 333 . 1 1 80 80 THR CB C 13 69.675 0.02 . . . . . . . 80 THR CB . 27651 1 334 . 1 1 80 80 THR CG2 C 13 21.409 0.00 . . . . . . . 80 THR CG2 . 27651 1 335 . 1 1 81 81 GLN C C 13 175.718 0.01 . . . . . . . 81 GLN CO . 27651 1 336 . 1 1 81 81 GLN CA C 13 55.922 0.14 . . . . . . . 81 GLN CA . 27651 1 337 . 1 1 81 81 GLN CB C 13 29.151 0.08 . . . . . . . 81 GLN CB . 27651 1 338 . 1 1 81 81 GLN CG C 13 33.649 0.00 . . . . . . . 81 GLN CG . 27651 1 339 . 1 1 81 81 GLN N N 15 121.750 0.06 . . . . . . . 81 GLN N . 27651 1 340 . 1 1 82 82 ARG CA C 13 56.295 0.00 . . . . . . . 82 ARG CA . 27651 1 341 . 1 1 82 82 ARG CB C 13 30.473 0.00 . . . . . . . 82 ARG CB . 27651 1 342 . 1 1 82 82 ARG N N 15 121.511 0.06 . . . . . . . 82 ARG N . 27651 1 343 . 1 1 83 83 LYS C C 13 176.148 0.01 . . . . . . . 83 LYS CO . 27651 1 344 . 1 1 83 83 LYS CA C 13 56.112 0.11 . . . . . . . 83 LYS CA . 27651 1 345 . 1 1 83 83 LYS CB C 13 32.861 0.11 . . . . . . . 83 LYS CB . 27651 1 346 . 1 1 83 83 LYS CG C 13 24.409 0.00 . . . . . . . 83 LYS CG . 27651 1 347 . 1 1 84 84 ILE C C 13 176.122 0.01 . . . . . . . 84 ILE CO . 27651 1 348 . 1 1 84 84 ILE CA C 13 60.794 0.27 . . . . . . . 84 ILE CA . 27651 1 349 . 1 1 84 84 ILE CB C 13 38.772 0.28 . . . . . . . 84 ILE CB . 27651 1 350 . 1 1 84 84 ILE CG1 C 13 27.212 0.00 . . . . . . . 84 ILE CG1 . 27651 1 351 . 1 1 84 84 ILE CD1 C 13 17.327 0.00 . . . . . . . 84 ILE CD1 . 27651 1 352 . 1 1 84 84 ILE N N 15 122.156 0.06 . . . . . . . 84 ILE N . 27651 1 353 . 1 1 85 85 THR C C 13 173.852 0.01 . . . . . . . 85 THR CO . 27651 1 354 . 1 1 85 85 THR CA C 13 61.761 0.25 . . . . . . . 85 THR CA . 27651 1 355 . 1 1 85 85 THR CB C 13 69.705 0.09 . . . . . . . 85 THR CB . 27651 1 356 . 1 1 85 85 THR CG2 C 13 21.285 0.00 . . . . . . . 85 THR CG2 . 27651 1 357 . 1 1 85 85 THR N N 15 118.967 0.13 . . . . . . . 85 THR N . 27651 1 358 . 1 1 86 86 ARG CA C 13 55.925 0.08 . . . . . . . 86 ARG CA . 27651 1 359 . 1 1 86 86 ARG CB C 13 30.099 0.00 . . . . . . . 86 ARG CB . 27651 1 360 . 1 1 86 86 ARG N N 15 122.740 0.04 . . . . . . . 86 ARG N . 27651 1 361 . 1 1 87 87 PRO C C 13 176.932 0.01 . . . . . . . 87 PRO CO . 27651 1 362 . 1 1 87 87 PRO CA C 13 63.304 0.06 . . . . . . . 87 PRO CA . 27651 1 363 . 1 1 87 87 PRO CB C 13 31.706 0.21 . . . . . . . 87 PRO CB . 27651 1 364 . 1 1 87 87 PRO CG C 13 27.024 0.00 . . . . . . . 87 PRO CG . 27651 1 365 . 1 1 88 88 SER CA C 13 57.954 0.00 . . . . . . . 88 SER CA . 27651 1 366 . 1 1 88 88 SER CB C 13 63.357 0.05 . . . . . . . 88 SER CB . 27651 1 367 . 1 1 88 88 SER N N 15 115.332 0.07 . . . . . . . 88 SER N . 27651 1 368 . 1 1 89 89 GLN C C 13 175.678 0.01 . . . . . . . 89 GLN CO . 27651 1 369 . 1 1 89 89 GLN CA C 13 56.160 0.07 . . . . . . . 89 GLN CA . 27651 1 370 . 1 1 89 89 GLN CB C 13 29.221 0.09 . . . . . . . 89 GLN CB . 27651 1 371 . 1 1 89 89 GLN CG C 13 33.519 0.00 . . . . . . . 89 GLN CG . 27651 1 372 . 1 1 90 90 ARG CA C 13 56.133 0.07 . . . . . . . 90 ARG CA . 27651 1 373 . 1 1 90 90 ARG CB C 13 30.464 0.00 . . . . . . . 90 ARG CB . 27651 1 374 . 1 1 90 90 ARG N N 15 119.901 0.05 . . . . . . . 90 ARG N . 27651 1 375 . 1 1 91 91 PRO C C 13 176.901 0.01 . . . . . . . 91 PRO CO . 27651 1 376 . 1 1 91 91 PRO CA C 13 63.066 0.11 . . . . . . . 91 PRO CA . 27651 1 377 . 1 1 91 91 PRO CB C 13 32.028 0.23 . . . . . . . 91 PRO CB . 27651 1 378 . 1 1 91 91 PRO CG C 13 27.091 0.00 . . . . . . . 91 PRO CG . 27651 1 379 . 1 1 92 92 LYS C C 13 176.527 0.01 . . . . . . . 92 LYS CO . 27651 1 380 . 1 1 92 92 LYS CA C 13 56.204 0.17 . . . . . . . 92 LYS CA . 27651 1 381 . 1 1 92 92 LYS CB C 13 32.867 0.10 . . . . . . . 92 LYS CB . 27651 1 382 . 1 1 92 92 LYS CG C 13 24.748 0.00 . . . . . . . 92 LYS CG . 27651 1 383 . 1 1 92 92 LYS CD C 13 28.884 0.00 . . . . . . . 92 LYS CD . 27651 1 384 . 1 1 92 92 LYS N N 15 121.347 0.09 . . . . . . . 92 LYS N . 27651 1 385 . 1 1 93 93 THR C C 13 172.246 0.01 . . . . . . . 93 THR CO . 27651 1 386 . 1 1 93 93 THR CA C 13 59.432 0.08 . . . . . . . 93 THR CA . 27651 1 387 . 1 1 93 93 THR CB C 13 69.499 0.16 . . . . . . . 93 THR CB . 27651 1 388 . 1 1 93 93 THR CG2 C 13 21.376 0.00 . . . . . . . 93 THR CG2 . 27651 1 389 . 1 1 93 93 THR N N 15 117.148 0.06 . . . . . . . 93 THR N . 27651 1 390 . 1 1 94 94 PRO C C 13 174.777 0.01 . . . . . . . 94 PRO CO . 27651 1 391 . 1 1 94 94 PRO CA C 13 61.436 0.08 . . . . . . . 94 PRO CA . 27651 1 392 . 1 1 94 94 PRO CB C 13 30.796 0.03 . . . . . . . 94 PRO CB . 27651 1 393 . 1 1 94 94 PRO CG C 13 27.259 0.04 . . . . . . . 94 PRO CG . 27651 1 394 . 1 1 94 94 PRO CD C 13 50.587 0.00 . . . . . . . 94 PRO CD . 27651 1 395 . 1 1 94 94 PRO N N 15 139.814 0.24 . . . . . . . 94 PRO N . 27651 1 396 . 1 1 95 95 PRO C C 13 177.110 0.01 . . . . . . . 95 PRO CO . 27651 1 397 . 1 1 95 95 PRO CA C 13 63.026 0.06 . . . . . . . 95 PRO CA . 27651 1 398 . 1 1 95 95 PRO CB C 13 31.723 0.13 . . . . . . . 95 PRO CB . 27651 1 399 . 1 1 95 95 PRO CG C 13 27.184 0.00 . . . . . . . 95 PRO CG . 27651 1 400 . 1 1 95 95 PRO CD C 13 50.260 0.00 . . . . . . . 95 PRO CD . 27651 1 401 . 1 1 95 95 PRO N N 15 135.266 0.27 . . . . . . . 95 PRO N . 27651 1 402 . 1 1 96 96 THR C C 13 174.399 0.01 . . . . . . . 96 THR CO . 27651 1 403 . 1 1 96 96 THR CA C 13 61.503 0.24 . . . . . . . 96 THR CA . 27651 1 404 . 1 1 96 96 THR CB C 13 69.730 0.29 . . . . . . . 96 THR CB . 27651 1 405 . 1 1 96 96 THR CG2 C 13 21.289 0.00 . . . . . . . 96 THR CG2 . 27651 1 406 . 1 1 96 96 THR N N 15 113.055 0.07 . . . . . . . 96 THR N . 27651 1 407 . 1 1 97 97 ASP C C 13 176.205 0.01 . . . . . . . 97 ASP CO . 27651 1 408 . 1 1 97 97 ASP CA C 13 54.349 0.07 . . . . . . . 97 ASP CA . 27651 1 409 . 1 1 97 97 ASP CB C 13 41.077 0.03 . . . . . . . 97 ASP CB . 27651 1 410 . 1 1 97 97 ASP N N 15 122.184 0.07 . . . . . . . 97 ASP N . 27651 1 411 . 1 1 98 98 THR C C 13 174.283 0.01 . . . . . . . 98 THR CO . 27651 1 412 . 1 1 98 98 THR CA C 13 62.134 0.10 . . . . . . . 98 THR CA . 27651 1 413 . 1 1 98 98 THR CB C 13 69.585 0.21 . . . . . . . 98 THR CB . 27651 1 414 . 1 1 98 98 THR CG2 C 13 21.338 0.00 . . . . . . . 98 THR CG2 . 27651 1 415 . 1 1 98 98 THR N N 15 114.249 0.04 . . . . . . . 98 THR N . 27651 1 416 . 1 1 99 99 ILE C C 13 175.598 0.01 . . . . . . . 99 ILE CO . 27651 1 417 . 1 1 99 99 ILE CA C 13 61.104 0.10 . . . . . . . 99 ILE CA . 27651 1 418 . 1 1 99 99 ILE CB C 13 38.296 0.33 . . . . . . . 99 ILE CB . 27651 1 419 . 1 1 99 99 ILE CG1 C 13 27.275 0.00 . . . . . . . 99 ILE CG1 . 27651 1 420 . 1 1 99 99 ILE CD1 C 13 17.270 0.00 . . . . . . . 99 ILE CD1 . 27651 1 421 . 1 1 99 99 ILE N N 15 123.318 0.09 . . . . . . . 99 ILE N . 27651 1 422 . 1 1 100 100 LEU CA C 13 54.771 0.09 . . . . . . . 100 LEU CA . 27651 1 423 . 1 1 100 100 LEU CB C 13 42.318 0.00 . . . . . . . 100 LEU CB . 27651 1 424 . 1 1 100 100 LEU N N 15 125.531 0.04 . . . . . . . 100 LEU N . 27651 1 425 . 1 1 101 101 TYR C C 13 176.078 0.01 . . . . . . . 101 TYR CO . 27651 1 426 . 1 1 101 101 TYR CA C 13 58.130 0.11 . . . . . . . 101 TYR CA . 27651 1 427 . 1 1 101 101 TYR CB C 13 39.278 0.06 . . . . . . . 101 TYR CB . 27651 1 428 . 1 1 102 102 THR CA C 13 61.767 0.16 . . . . . . . 102 THR CA . 27651 1 429 . 1 1 102 102 THR N N 15 114.741 0.13 . . . . . . . 102 THR N . 27651 1 430 . 1 1 103 103 GLU C C 13 175.341 0.00 . . . . . . . 103 GLU CO . 27651 1 431 . 1 1 103 103 GLU CA C 13 55.297 0.12 . . . . . . . 103 GLU CA . 27651 1 432 . 1 1 103 103 GLU CB C 13 29.841 0.04 . . . . . . . 103 GLU CB . 27651 1 433 . 1 1 103 103 GLU CG C 13 33.589 0.00 . . . . . . . 103 GLU CG . 27651 1 434 . 1 1 104 104 LEU C C 13 174.762 0.01 . . . . . . . 104 LEU CO . 27651 1 435 . 1 1 104 104 LEU CA C 13 52.328 0.22 . . . . . . . 104 LEU CA . 27651 1 436 . 1 1 104 104 LEU CB C 13 40.914 0.15 . . . . . . . 104 LEU CB . 27651 1 437 . 1 1 104 104 LEU N N 15 123.696 0.04 . . . . . . . 104 LEU N . 27651 1 438 . 1 1 105 105 PRO C C 13 176.786 0.01 . . . . . . . 105 PRO CO . 27651 1 439 . 1 1 105 105 PRO CA C 13 63.370 0.14 . . . . . . . 105 PRO CA . 27651 1 440 . 1 1 105 105 PRO CB C 13 31.863 0.22 . . . . . . . 105 PRO CB . 27651 1 441 . 1 1 105 105 PRO CG C 13 26.935 0.00 . . . . . . . 105 PRO CG . 27651 1 442 . 1 1 105 105 PRO CD C 13 50.412 0.19 . . . . . . . 105 PRO CD . 27651 1 443 . 1 1 105 105 PRO N N 15 136.710 0.25 . . . . . . . 105 PRO N . 27651 1 444 . 1 1 106 106 ASN C C 13 174.673 0.01 . . . . . . . 106 ASN CO . 27651 1 445 . 1 1 106 106 ASN CA C 13 53.109 0.10 . . . . . . . 106 ASN CA . 27651 1 446 . 1 1 106 106 ASN CB C 13 38.465 0.03 . . . . . . . 106 ASN CB . 27651 1 447 . 1 1 106 106 ASN N N 15 117.358 0.13 . . . . . . . 106 ASN N . 27651 1 448 . 1 1 107 107 ALA C C 13 177.192 0.02 . . . . . . . 107 ALA CO . 27651 1 449 . 1 1 107 107 ALA CA C 13 52.343 0.14 . . . . . . . 107 ALA CA . 27651 1 450 . 1 1 107 107 ALA CB C 13 19.517 0.11 . . . . . . . 107 ALA CB . 27651 1 451 . 1 1 107 107 ALA N N 15 123.536 0.07 . . . . . . . 107 ALA N . 27651 1 452 . 1 1 108 108 LYS CA C 13 53.953 0.11 . . . . . . . 108 LYS CA . 27651 1 453 . 1 1 108 108 LYS CB C 13 32.114 0.00 . . . . . . . 108 LYS CB . 27651 1 454 . 1 1 108 108 LYS N N 15 121.322 0.03 . . . . . . . 108 LYS N . 27651 1 455 . 1 1 109 109 PRO C C 13 176.693 0.01 . . . . . . . 109 PRO CO . 27651 1 456 . 1 1 109 109 PRO CA C 13 62.892 0.05 . . . . . . . 109 PRO CA . 27651 1 457 . 1 1 109 109 PRO CB C 13 32.112 0.00 . . . . . . . 109 PRO CB . 27651 1 458 . 1 1 109 109 PRO CG C 13 27.080 0.00 . . . . . . . 109 PRO CG . 27651 1 459 . 1 1 110 110 ARG C C 13 176.372 0.01 . . . . . . . 110 ARG CO . 27651 1 460 . 1 1 110 110 ARG CA C 13 56.123 0.15 . . . . . . . 110 ARG CA . 27651 1 461 . 1 1 110 110 ARG CB C 13 31.127 0.59 . . . . . . . 110 ARG CB . 27651 1 462 . 1 1 110 110 ARG CG C 13 26.992 0.00 . . . . . . . 110 ARG CG . 27651 1 463 . 1 1 110 110 ARG CD C 13 43.145 0.00 . . . . . . . 110 ARG CD . 27651 1 464 . 1 1 110 110 ARG N N 15 121.661 0.05 . . . . . . . 110 ARG N . 27651 1 465 . 1 1 111 111 SER C C 13 174.461 0.17 . . . . . . . 111 SER CO . 27651 1 466 . 1 1 111 111 SER CA C 13 58.318 0.23 . . . . . . . 111 SER CA . 27651 1 467 . 1 1 111 111 SER CB C 13 63.776 0.22 . . . . . . . 111 SER CB . 27651 1 468 . 1 1 111 111 SER N N 15 116.523 0.06 . . . . . . . 111 SER N . 27651 1 469 . 1 1 112 112 LYS CA C 13 55.977 0.00 . . . . . . . 112 LYS CA . 27651 1 470 . 1 1 112 112 LYS CB C 13 32.896 0.00 . . . . . . . 112 LYS CB . 27651 1 471 . 1 1 112 112 LYS N N 15 122.413 0.43 . . . . . . . 112 LYS N . 27651 1 472 . 1 1 113 113 VAL C C 13 175.996 0.01 . . . . . . . 113 VAL CO . 27651 1 473 . 1 1 113 113 VAL CA C 13 62.218 0.02 . . . . . . . 113 VAL CA . 27651 1 474 . 1 1 113 113 VAL CB C 13 32.643 0.06 . . . . . . . 113 VAL CB . 27651 1 475 . 1 1 113 113 VAL CG1 C 13 20.732 0.00 . . . . . . . 113 VAL CG# . 27651 1 476 . 1 1 113 113 VAL CG2 C 13 20.732 0.00 . . . . . . . 113 VAL CG# . 27651 1 477 . 1 1 114 114 VAL C C 13 175.804 0.01 . . . . . . . 114 VAL CO . 27651 1 478 . 1 1 114 114 VAL CA C 13 61.966 0.07 . . . . . . . 114 VAL CA . 27651 1 479 . 1 1 114 114 VAL CB C 13 32.765 0.15 . . . . . . . 114 VAL CB . 27651 1 480 . 1 1 114 114 VAL CG1 C 13 21.084 0.00 . . . . . . . 114 VAL CG1 . 27651 1 481 . 1 1 114 114 VAL CG2 C 13 20.385 0.00 . . . . . . . 114 VAL CG2 . 27651 1 482 . 1 1 114 114 VAL N N 15 124.002 0.05 . . . . . . . 114 VAL N . 27651 1 483 . 1 1 115 115 SER C C 13 173.813 0.02 . . . . . . . 115 SER CO . 27651 1 484 . 1 1 115 115 SER CA C 13 58.020 0.07 . . . . . . . 115 SER CA . 27651 1 485 . 1 1 115 115 SER CB C 13 63.646 0.10 . . . . . . . 115 SER CB . 27651 1 486 . 1 1 115 115 SER N N 15 119.459 0.07 . . . . . . . 115 SER N . 27651 1 487 . 1 1 116 116 CYS C C 13 171.580 0.01 . . . . . . . 116 CYS CO . 27651 1 488 . 1 1 116 116 CYS CA C 13 56.181 0.09 . . . . . . . 116 CYS CA . 27651 1 489 . 1 1 116 116 CYS CB C 13 27.731 0.04 . . . . . . . 116 CYS CB . 27651 1 490 . 1 1 116 116 CYS N N 15 122.590 0.10 . . . . . . . 116 CYS N . 27651 1 491 . 1 1 117 117 PRO N N 15 142.540 0.28 . . . . . . . 117 PRO N . 27651 1 stop_ save_