data_50512 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50512 _Entry.Title ; Backbone chemical shifts assignments of PLEKHA7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-10-14 _Entry.Accession_date 2020-10-14 _Entry.Last_release_date 2020-10-14 _Entry.Original_release_date 2020-10-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yong Yao . . . . 50512 2 Jinghua Yu . . . . 50512 3 Francesca Marassi . . . . 50512 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50512 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 227 50512 '15N chemical shifts' 114 50512 '1H chemical shifts' 114 50512 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-12-09 2020-10-14 update BMRB 'update entry citation' 50512 1 . . 2021-06-30 2020-10-14 original author 'original release' 50512 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50512 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33878292 _Citation.DOI 10.1016/j.str.2021.03.018 _Citation.Full_citation . _Citation.Title ; Structural basis for the association of PLEKHA7 with membrane-embedded phosphatidylinositol lipids. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 29 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 1029 _Citation.Page_last 1039 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexander Aleshin A. E. . . 50512 1 2 Yong Yao Y. . . . 50512 1 3 Amer Iftikhar A. . . . 50512 1 4 Andrey Bobkov A. A. . . 50512 1 5 Jinghua Yu J. . . . 50512 1 6 Gregory Cadwell G. . . . 50512 1 7 Michael Klein M. G. . . 50512 1 8 Chuqiao Dong C. . . . 50512 1 9 Laurie Bankston L. A. . . 50512 1 10 Robert Liddington R. C. . . 50512 1 11 Wonpil Im W. . . . 50512 1 12 Garth Powis G. . . . 50512 1 13 Francesca Marassi F. M. . . 50512 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50512 _Assembly.ID 1 _Assembly.Name PLEKHA7 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PLEKHA7 1 $entity_1 . . yes native no no . . . 50512 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50512 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPVVVRGWLHKQDSSG MRLWKRRWFVLADYCLFYYK DSREEAVLGSIPLPSYVISP VAPEDRISRKYSFKAVHTGM RALIYNSSTAGSQAEQSGMR TYYFSADTQEDMNAWVRAMN QAAQVLS ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50512 1 2 . PRO . 50512 1 3 . LEU . 50512 1 4 . GLY . 50512 1 5 . SER . 50512 1 6 . PRO . 50512 1 7 . VAL . 50512 1 8 . VAL . 50512 1 9 . VAL . 50512 1 10 . ARG . 50512 1 11 . GLY . 50512 1 12 . TRP . 50512 1 13 . LEU . 50512 1 14 . HIS . 50512 1 15 . LYS . 50512 1 16 . GLN . 50512 1 17 . ASP . 50512 1 18 . SER . 50512 1 19 . SER . 50512 1 20 . GLY . 50512 1 21 . MET . 50512 1 22 . ARG . 50512 1 23 . LEU . 50512 1 24 . TRP . 50512 1 25 . LYS . 50512 1 26 . ARG . 50512 1 27 . ARG . 50512 1 28 . TRP . 50512 1 29 . PHE . 50512 1 30 . VAL . 50512 1 31 . LEU . 50512 1 32 . ALA . 50512 1 33 . ASP . 50512 1 34 . TYR . 50512 1 35 . CYS . 50512 1 36 . LEU . 50512 1 37 . PHE . 50512 1 38 . TYR . 50512 1 39 . TYR . 50512 1 40 . LYS . 50512 1 41 . ASP . 50512 1 42 . SER . 50512 1 43 . ARG . 50512 1 44 . GLU . 50512 1 45 . GLU . 50512 1 46 . ALA . 50512 1 47 . VAL . 50512 1 48 . LEU . 50512 1 49 . GLY . 50512 1 50 . SER . 50512 1 51 . ILE . 50512 1 52 . PRO . 50512 1 53 . LEU . 50512 1 54 . PRO . 50512 1 55 . SER . 50512 1 56 . TYR . 50512 1 57 . VAL . 50512 1 58 . ILE . 50512 1 59 . SER . 50512 1 60 . PRO . 50512 1 61 . VAL . 50512 1 62 . ALA . 50512 1 63 . PRO . 50512 1 64 . GLU . 50512 1 65 . ASP . 50512 1 66 . ARG . 50512 1 67 . ILE . 50512 1 68 . SER . 50512 1 69 . ARG . 50512 1 70 . LYS . 50512 1 71 . TYR . 50512 1 72 . SER . 50512 1 73 . PHE . 50512 1 74 . LYS . 50512 1 75 . ALA . 50512 1 76 . VAL . 50512 1 77 . HIS . 50512 1 78 . THR . 50512 1 79 . GLY . 50512 1 80 . MET . 50512 1 81 . ARG . 50512 1 82 . ALA . 50512 1 83 . LEU . 50512 1 84 . ILE . 50512 1 85 . TYR . 50512 1 86 . ASN . 50512 1 87 . SER . 50512 1 88 . SER . 50512 1 89 . THR . 50512 1 90 . ALA . 50512 1 91 . GLY . 50512 1 92 . SER . 50512 1 93 . GLN . 50512 1 94 . ALA . 50512 1 95 . GLU . 50512 1 96 . GLN . 50512 1 97 . SER . 50512 1 98 . GLY . 50512 1 99 . MET . 50512 1 100 . ARG . 50512 1 101 . THR . 50512 1 102 . TYR . 50512 1 103 . TYR . 50512 1 104 . PHE . 50512 1 105 . SER . 50512 1 106 . ALA . 50512 1 107 . ASP . 50512 1 108 . THR . 50512 1 109 . GLN . 50512 1 110 . GLU . 50512 1 111 . ASP . 50512 1 112 . MET . 50512 1 113 . ASN . 50512 1 114 . ALA . 50512 1 115 . TRP . 50512 1 116 . VAL . 50512 1 117 . ARG . 50512 1 118 . ALA . 50512 1 119 . MET . 50512 1 120 . ASN . 50512 1 121 . GLN . 50512 1 122 . ALA . 50512 1 123 . ALA . 50512 1 124 . GLN . 50512 1 125 . VAL . 50512 1 126 . LEU . 50512 1 127 . SER . 50512 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 50512 1 . PRO 2 2 50512 1 . LEU 3 3 50512 1 . GLY 4 4 50512 1 . SER 5 5 50512 1 . PRO 6 6 50512 1 . VAL 7 7 50512 1 . VAL 8 8 50512 1 . VAL 9 9 50512 1 . ARG 10 10 50512 1 . GLY 11 11 50512 1 . TRP 12 12 50512 1 . LEU 13 13 50512 1 . HIS 14 14 50512 1 . LYS 15 15 50512 1 . GLN 16 16 50512 1 . ASP 17 17 50512 1 . SER 18 18 50512 1 . SER 19 19 50512 1 . GLY 20 20 50512 1 . MET 21 21 50512 1 . ARG 22 22 50512 1 . LEU 23 23 50512 1 . TRP 24 24 50512 1 . LYS 25 25 50512 1 . ARG 26 26 50512 1 . ARG 27 27 50512 1 . TRP 28 28 50512 1 . PHE 29 29 50512 1 . VAL 30 30 50512 1 . LEU 31 31 50512 1 . ALA 32 32 50512 1 . ASP 33 33 50512 1 . TYR 34 34 50512 1 . CYS 35 35 50512 1 . LEU 36 36 50512 1 . PHE 37 37 50512 1 . TYR 38 38 50512 1 . TYR 39 39 50512 1 . LYS 40 40 50512 1 . ASP 41 41 50512 1 . SER 42 42 50512 1 . ARG 43 43 50512 1 . GLU 44 44 50512 1 . GLU 45 45 50512 1 . ALA 46 46 50512 1 . VAL 47 47 50512 1 . LEU 48 48 50512 1 . GLY 49 49 50512 1 . SER 50 50 50512 1 . ILE 51 51 50512 1 . PRO 52 52 50512 1 . LEU 53 53 50512 1 . PRO 54 54 50512 1 . SER 55 55 50512 1 . TYR 56 56 50512 1 . VAL 57 57 50512 1 . ILE 58 58 50512 1 . SER 59 59 50512 1 . PRO 60 60 50512 1 . VAL 61 61 50512 1 . ALA 62 62 50512 1 . PRO 63 63 50512 1 . GLU 64 64 50512 1 . ASP 65 65 50512 1 . ARG 66 66 50512 1 . ILE 67 67 50512 1 . SER 68 68 50512 1 . ARG 69 69 50512 1 . LYS 70 70 50512 1 . TYR 71 71 50512 1 . SER 72 72 50512 1 . PHE 73 73 50512 1 . LYS 74 74 50512 1 . ALA 75 75 50512 1 . VAL 76 76 50512 1 . HIS 77 77 50512 1 . THR 78 78 50512 1 . GLY 79 79 50512 1 . MET 80 80 50512 1 . ARG 81 81 50512 1 . ALA 82 82 50512 1 . LEU 83 83 50512 1 . ILE 84 84 50512 1 . TYR 85 85 50512 1 . ASN 86 86 50512 1 . SER 87 87 50512 1 . SER 88 88 50512 1 . THR 89 89 50512 1 . ALA 90 90 50512 1 . GLY 91 91 50512 1 . SER 92 92 50512 1 . GLN 93 93 50512 1 . ALA 94 94 50512 1 . GLU 95 95 50512 1 . GLN 96 96 50512 1 . SER 97 97 50512 1 . GLY 98 98 50512 1 . MET 99 99 50512 1 . ARG 100 100 50512 1 . THR 101 101 50512 1 . TYR 102 102 50512 1 . TYR 103 103 50512 1 . PHE 104 104 50512 1 . SER 105 105 50512 1 . ALA 106 106 50512 1 . ASP 107 107 50512 1 . THR 108 108 50512 1 . GLN 109 109 50512 1 . GLU 110 110 50512 1 . ASP 111 111 50512 1 . MET 112 112 50512 1 . ASN 113 113 50512 1 . ALA 114 114 50512 1 . TRP 115 115 50512 1 . VAL 116 116 50512 1 . ARG 117 117 50512 1 . ALA 118 118 50512 1 . MET 119 119 50512 1 . ASN 120 120 50512 1 . GLN 121 121 50512 1 . ALA 122 122 50512 1 . ALA 123 123 50512 1 . GLN 124 124 50512 1 . VAL 125 125 50512 1 . LEU 126 126 50512 1 . SER 127 127 50512 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50512 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50512 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50512 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET . . . 50512 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50512 _Sample.ID 1 _Sample.Name sample1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PLEKHA7 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.1 . . mM . . . . 50512 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 50512 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 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' 0.1 . M 50512 1 pH 6.0 . pH 50512 1 pressure 1 . atm 50512 1 temperature 288 . K 50512 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50512 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50512 1 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50512 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50512 2 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50512 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50512 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50512 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50512 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50512 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50512 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50512 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50512 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 . . . . . . 50512 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 50512 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect . . . . . . 50512 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name list1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50512 1 2 '3D HNCA' . . . 50512 1 3 '3D HNCACB' . . . 50512 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50512 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO CA C 13 63.0700 . . 1 . . . . . 2 PRO CA . 50512 1 2 . 1 . 1 2 2 PRO CB C 13 32.3000 . . 1 . . . . . 2 PRO CB . 50512 1 3 . 1 . 1 3 3 LEU H H 1 8.5770 . . 1 . . . . . 3 LEU HN . 50512 1 4 . 1 . 1 3 3 LEU CA C 13 55.6900 . . 1 . . . . . 3 LEU CA . 50512 1 5 . 1 . 1 3 3 LEU CB C 13 42.1500 . . 1 . . . . . 3 LEU CB . 50512 1 6 . 1 . 1 3 3 LEU N N 15 122.4700 . . 1 . . . . . 3 LEU N . 50512 1 7 . 1 . 1 4 4 GLY H H 1 8.4870 . . 1 . . . . . 4 GLY HN . 50512 1 8 . 1 . 1 4 4 GLY CA C 13 45.1400 . . 1 . . . . . 4 GLY CA . 50512 1 9 . 1 . 1 4 4 GLY N N 15 110.0320 . . 1 . . . . . 4 GLY N . 50512 1 10 . 1 . 1 5 5 SER H H 1 8.1880 . . 1 . . . . . 5 SER HN . 50512 1 11 . 1 . 1 5 5 SER CA C 13 56.9200 . . 1 . . . . . 5 SER CA . 50512 1 12 . 1 . 1 5 5 SER CB C 13 63.4200 . . 1 . . . . . 5 SER CB . 50512 1 13 . 1 . 1 5 5 SER N N 15 117.1890 . . 1 . . . . . 5 SER N . 50512 1 14 . 1 . 1 7 7 VAL H H 1 8.2780 . . 1 . . . . . 7 VAL HN . 50512 1 15 . 1 . 1 7 7 VAL CA C 13 62.9000 . . 1 . . . . . 7 VAL CA . 50512 1 16 . 1 . 1 7 7 VAL CB C 13 32.3000 . . 1 . . . . . 7 VAL CB . 50512 1 17 . 1 . 1 7 7 VAL N N 15 121.8430 . . 1 . . . . . 7 VAL N . 50512 1 18 . 1 . 1 8 8 VAL H H 1 8.4240 . . 1 . . . . . 8 VAL HN . 50512 1 19 . 1 . 1 8 8 VAL CA C 13 62.7200 . . 1 . . . . . 8 VAL CA . 50512 1 20 . 1 . 1 8 8 VAL CB C 13 32.4800 . . 1 . . . . . 8 VAL CB . 50512 1 21 . 1 . 1 8 8 VAL N N 15 127.6220 . . 1 . . . . . 8 VAL N . 50512 1 22 . 1 . 1 11 11 GLY H H 1 8.1290 . . 1 . . . . . 11 GLY HN . 50512 1 23 . 1 . 1 11 11 GLY CA C 13 45.3900 . . 1 . . . . . 11 GLY CA . 50512 1 24 . 1 . 1 11 11 GLY N N 15 108.9510 . . 1 . . . . . 11 GLY N . 50512 1 25 . 1 . 1 12 12 TRP H H 1 8.6170 . . 1 . . . . . 12 TRP HN . 50512 1 26 . 1 . 1 12 12 TRP CA C 13 57.2700 . . 1 . . . . . 12 TRP CA . 50512 1 27 . 1 . 1 12 12 TRP CB C 13 31.0700 . . 1 . . . . . 12 TRP CB . 50512 1 28 . 1 . 1 12 12 TRP N N 15 119.7540 . . 1 . . . . . 12 TRP N . 50512 1 29 . 1 . 1 13 13 LEU H H 1 9.4020 . . 1 . . . . . 13 LEU HN . 50512 1 30 . 1 . 1 13 13 LEU CA C 13 55.1600 . . 1 . . . . . 13 LEU CA . 50512 1 31 . 1 . 1 13 13 LEU CB C 13 47.4200 . . 1 . . . . . 13 LEU CB . 50512 1 32 . 1 . 1 13 13 LEU N N 15 121.3780 . . 1 . . . . . 13 LEU N . 50512 1 33 . 1 . 1 14 14 HIS H H 1 8.8070 . . 1 . . . . . 14 HIS HN . 50512 1 34 . 1 . 1 14 14 HIS CA C 13 56.5700 . . 1 . . . . . 14 HIS CA . 50512 1 35 . 1 . 1 14 14 HIS CB C 13 31.4200 . . 1 . . . . . 14 HIS CB . 50512 1 36 . 1 . 1 14 14 HIS N N 15 118.3030 . . 1 . . . . . 14 HIS N . 50512 1 37 . 1 . 1 15 15 LYS H H 1 9.5430 . . 1 . . . . . 15 LYS HN . 50512 1 38 . 1 . 1 15 15 LYS CA C 13 54.1100 . . 1 . . . . . 15 LYS CA . 50512 1 39 . 1 . 1 15 15 LYS CB C 13 35.4700 . . 1 . . . . . 15 LYS CB . 50512 1 40 . 1 . 1 15 15 LYS N N 15 122.5080 . . 1 . . . . . 15 LYS N . 50512 1 41 . 1 . 1 16 16 GLN H H 1 8.1860 . . 1 . . . . . 16 GLN HN . 50512 1 42 . 1 . 1 16 16 GLN CA C 13 56.0400 . . 1 . . . . . 16 GLN CA . 50512 1 43 . 1 . 1 16 16 GLN CB C 13 28.9600 . . 1 . . . . . 16 GLN CB . 50512 1 44 . 1 . 1 16 16 GLN N N 15 134.1000 . . 1 . . . . . 16 GLN N . 50512 1 45 . 1 . 1 17 17 ASP H H 1 9.1250 . . 1 . . . . . 17 ASP HN . 50512 1 46 . 1 . 1 17 17 ASP CA C 13 55.5100 . . 1 . . . . . 17 ASP CA . 50512 1 47 . 1 . 1 17 17 ASP CB C 13 41.2700 . . 1 . . . . . 17 ASP CB . 50512 1 48 . 1 . 1 17 17 ASP N N 15 130.3070 . . 1 . . . . . 17 ASP N . 50512 1 49 . 1 . 1 18 18 SER H H 1 8.7100 . . 1 . . . . . 18 SER HN . 50512 1 50 . 1 . 1 18 18 SER CA C 13 59.3800 . . 1 . . . . . 18 SER CA . 50512 1 51 . 1 . 1 18 18 SER CB C 13 63.7800 . . 1 . . . . . 18 SER CB . 50512 1 52 . 1 . 1 18 18 SER N N 15 115.4950 . . 1 . . . . . 18 SER N . 50512 1 53 . 1 . 1 19 19 SER H H 1 7.7560 . . 1 . . . . . 19 SER HN . 50512 1 54 . 1 . 1 19 19 SER CA C 13 57.0900 . . 1 . . . . . 19 SER CA . 50512 1 55 . 1 . 1 19 19 SER CB C 13 65.3600 . . 1 . . . . . 19 SER CB . 50512 1 56 . 1 . 1 19 19 SER N N 15 114.9650 . . 1 . . . . . 19 SER N . 50512 1 57 . 1 . 1 20 20 GLY H H 1 8.7810 . . 1 . . . . . 20 GLY HN . 50512 1 58 . 1 . 1 20 20 GLY CA C 13 46.7200 . . 1 . . . . . 20 GLY CA . 50512 1 59 . 1 . 1 20 20 GLY N N 15 109.7440 . . 1 . . . . . 20 GLY N . 50512 1 60 . 1 . 1 21 21 MET H H 1 8.8800 . . 1 . . . . . 21 MET HN . 50512 1 61 . 1 . 1 21 21 MET CA C 13 55.8600 . . 1 . . . . . 21 MET CA . 50512 1 62 . 1 . 1 21 21 MET CB C 13 31.9500 . . 1 . . . . . 21 MET CB . 50512 1 63 . 1 . 1 21 21 MET N N 15 124.1590 . . 1 . . . . . 21 MET N . 50512 1 64 . 1 . 1 22 22 ARG H H 1 8.2210 . . 1 . . . . . 22 ARG HN . 50512 1 65 . 1 . 1 22 22 ARG CA C 13 57.2700 . . 1 . . . . . 22 ARG CA . 50512 1 66 . 1 . 1 22 22 ARG CB C 13 26.8100 . . 1 . . . . . 22 ARG CB . 50512 1 67 . 1 . 1 22 22 ARG N N 15 115.6950 . . 1 . . . . . 22 ARG N . 50512 1 68 . 1 . 1 23 23 LEU H H 1 7.9570 . . 1 . . . . . 23 LEU HN . 50512 1 69 . 1 . 1 23 23 LEU CA C 13 54.8100 . . 1 . . . . . 23 LEU CA . 50512 1 70 . 1 . 1 23 23 LEU CB C 13 42.1500 . . 1 . . . . . 23 LEU CB . 50512 1 71 . 1 . 1 23 23 LEU N N 15 117.4800 . . 1 . . . . . 23 LEU N . 50512 1 72 . 1 . 1 24 24 TRP H H 1 8.7620 . . 1 . . . . . 24 TRP HN . 50512 1 73 . 1 . 1 24 24 TRP CA C 13 57.2700 . . 1 . . . . . 24 TRP CA . 50512 1 74 . 1 . 1 24 24 TRP CB C 13 30.1900 . . 1 . . . . . 24 TRP CB . 50512 1 75 . 1 . 1 24 24 TRP N N 15 119.9650 . . 1 . . . . . 24 TRP N . 50512 1 76 . 1 . 1 25 25 LYS H H 1 8.5490 . . 1 . . . . . 25 LYS HN . 50512 1 77 . 1 . 1 25 25 LYS CA C 13 54.2800 . . 1 . . . . . 25 LYS CA . 50512 1 78 . 1 . 1 25 25 LYS CB C 13 35.4700 . . 1 . . . . . 25 LYS CB . 50512 1 79 . 1 . 1 25 25 LYS N N 15 122.5360 . . 1 . . . . . 25 LYS N . 50512 1 80 . 1 . 1 26 26 ARG H H 1 9.1430 . . 1 . . . . . 26 ARG HN . 50512 1 81 . 1 . 1 26 26 ARG CA C 13 57.2700 . . 1 . . . . . 26 ARG CA . 50512 1 82 . 1 . 1 26 26 ARG CB C 13 30.1900 . . 1 . . . . . 26 ARG CB . 50512 1 83 . 1 . 1 26 26 ARG N N 15 127.3250 . . 1 . . . . . 26 ARG N . 50512 1 84 . 1 . 1 27 27 ARG H H 1 9.4390 . . 1 . . . . . 27 ARG HN . 50512 1 85 . 1 . 1 27 27 ARG CA C 13 53.5800 . . 1 . . . . . 27 ARG CA . 50512 1 86 . 1 . 1 27 27 ARG CB C 13 34.4100 . . 1 . . . . . 27 ARG CB . 50512 1 87 . 1 . 1 27 27 ARG N N 15 127.7570 . . 1 . . . . . 27 ARG N . 50512 1 88 . 1 . 1 28 28 TRP H H 1 8.2220 . . 1 . . . . . 28 TRP HN . 50512 1 89 . 1 . 1 28 28 TRP CA C 13 55.8600 . . 1 . . . . . 28 TRP CA . 50512 1 90 . 1 . 1 28 28 TRP CB C 13 29.3100 . . 1 . . . . . 28 TRP CB . 50512 1 91 . 1 . 1 28 28 TRP N N 15 123.4760 . . 1 . . . . . 28 TRP N . 50512 1 92 . 1 . 1 29 29 PHE H H 1 8.8710 . . 1 . . . . . 29 PHE HN . 50512 1 93 . 1 . 1 29 29 PHE CA C 13 57.2700 . . 1 . . . . . 29 PHE CA . 50512 1 94 . 1 . 1 29 29 PHE CB C 13 43.3800 . . 1 . . . . . 29 PHE CB . 50512 1 95 . 1 . 1 29 29 PHE N N 15 127.8200 . . 1 . . . . . 29 PHE N . 50512 1 96 . 1 . 1 30 30 VAL H H 1 9.1310 . . 1 . . . . . 30 VAL HN . 50512 1 97 . 1 . 1 30 30 VAL CA C 13 61.1400 . . 1 . . . . . 30 VAL CA . 50512 1 98 . 1 . 1 30 30 VAL CB C 13 36.5200 . . 1 . . . . . 30 VAL CB . 50512 1 99 . 1 . 1 30 30 VAL N N 15 118.1500 . . 1 . . . . . 30 VAL N . 50512 1 100 . 1 . 1 31 31 LEU H H 1 9.3950 . . 1 . . . . . 31 LEU HN . 50512 1 101 . 1 . 1 31 31 LEU CA C 13 53.4000 . . 1 . . . . . 31 LEU CA . 50512 1 102 . 1 . 1 31 31 LEU CB C 13 44.4300 . . 1 . . . . . 31 LEU CB . 50512 1 103 . 1 . 1 31 31 LEU N N 15 130.0420 . . 1 . . . . . 31 LEU N . 50512 1 104 . 1 . 1 32 32 ALA H H 1 8.9280 . . 1 . . . . . 32 ALA HN . 50512 1 105 . 1 . 1 32 32 ALA CA C 13 51.2900 . . 1 . . . . . 32 ALA CA . 50512 1 106 . 1 . 1 32 32 ALA CB C 13 21.5800 . . 1 . . . . . 32 ALA CB . 50512 1 107 . 1 . 1 32 32 ALA N N 15 129.2010 . . 1 . . . . . 32 ALA N . 50512 1 108 . 1 . 1 33 33 ASP H H 1 9.0170 . . 1 . . . . . 33 ASP HN . 50512 1 109 . 1 . 1 33 33 ASP CA C 13 55.8600 . . 1 . . . . . 33 ASP CA . 50512 1 110 . 1 . 1 33 33 ASP CB C 13 39.6900 . . 1 . . . . . 33 ASP CB . 50512 1 111 . 1 . 1 33 33 ASP N N 15 122.0040 . . 1 . . . . . 33 ASP N . 50512 1 112 . 1 . 1 35 35 CYS H H 1 8.0470 . . 1 . . . . . 35 CYS HN . 50512 1 113 . 1 . 1 35 35 CYS CA C 13 57.4500 . . 1 . . . . . 35 CYS CA . 50512 1 114 . 1 . 1 35 35 CYS CB C 13 30.3700 . . 1 . . . . . 35 CYS CB . 50512 1 115 . 1 . 1 35 35 CYS N N 15 119.9780 . . 1 . . . . . 35 CYS N . 50512 1 116 . 1 . 1 36 36 LEU H H 1 8.1980 . . 1 . . . . . 36 LEU HN . 50512 1 117 . 1 . 1 36 36 LEU CA C 13 53.2300 . . 1 . . . . . 36 LEU CA . 50512 1 118 . 1 . 1 36 36 LEU CB C 13 44.6100 . . 1 . . . . . 36 LEU CB . 50512 1 119 . 1 . 1 36 36 LEU N N 15 125.3220 . . 1 . . . . . 36 LEU N . 50512 1 120 . 1 . 1 37 37 PHE H H 1 9.7140 . . 1 . . . . . 37 PHE HN . 50512 1 121 . 1 . 1 37 37 PHE CA C 13 57.0900 . . 1 . . . . . 37 PHE CA . 50512 1 122 . 1 . 1 37 37 PHE CB C 13 42.8500 . . 1 . . . . . 37 PHE CB . 50512 1 123 . 1 . 1 37 37 PHE N N 15 125.3260 . . 1 . . . . . 37 PHE N . 50512 1 124 . 1 . 1 38 38 TYR H H 1 7.5720 . . 1 . . . . . 38 TYR HN . 50512 1 125 . 1 . 1 38 38 TYR CA C 13 55.1600 . . 1 . . . . . 38 TYR CA . 50512 1 126 . 1 . 1 38 38 TYR CB C 13 39.1600 . . 1 . . . . . 38 TYR CB . 50512 1 127 . 1 . 1 38 38 TYR N N 15 113.4860 . . 1 . . . . . 38 TYR N . 50512 1 128 . 1 . 1 39 39 TYR H H 1 9.3240 . . 1 . . . . . 39 TYR HN . 50512 1 129 . 1 . 1 39 39 TYR CA C 13 57.2700 . . 1 . . . . . 39 TYR CA . 50512 1 130 . 1 . 1 39 39 TYR CB C 13 44.0800 . . 1 . . . . . 39 TYR CB . 50512 1 131 . 1 . 1 39 39 TYR N N 15 117.6950 . . 1 . . . . . 39 TYR N . 50512 1 132 . 1 . 1 40 40 LYS H H 1 9.7730 . . 1 . . . . . 40 LYS HN . 50512 1 133 . 1 . 1 40 40 LYS CA C 13 59.5600 . . 1 . . . . . 40 LYS CA . 50512 1 134 . 1 . 1 40 40 LYS CB C 13 33.7100 . . 1 . . . . . 40 LYS CB . 50512 1 135 . 1 . 1 40 40 LYS N N 15 121.1720 . . 1 . . . . . 40 LYS N . 50512 1 136 . 1 . 1 41 41 ASP H H 1 7.8020 . . 1 . . . . . 41 ASP HN . 50512 1 137 . 1 . 1 41 41 ASP CA C 13 53.4000 . . 1 . . . . . 41 ASP CA . 50512 1 138 . 1 . 1 41 41 ASP CB C 13 41.6200 . . 1 . . . . . 41 ASP CB . 50512 1 139 . 1 . 1 41 41 ASP N N 15 110.7010 . . 1 . . . . . 41 ASP N . 50512 1 140 . 1 . 1 42 42 SER H H 1 6.9500 . . 1 . . . . . 42 SER HN . 50512 1 141 . 1 . 1 42 42 SER N N 15 108.3160 . . 1 . . . . . 42 SER N . 50512 1 142 . 1 . 1 44 44 GLU H H 1 7.4790 . . 1 . . . . . 44 GLU HN . 50512 1 143 . 1 . 1 44 44 GLU CA C 13 56.7400 . . 1 . . . . . 44 GLU CA . 50512 1 144 . 1 . 1 44 44 GLU CB C 13 25.0900 . . 1 . . . . . 44 GLU CB . 50512 1 145 . 1 . 1 44 44 GLU N N 15 112.6260 . . 1 . . . . . 44 GLU N . 50512 1 146 . 1 . 1 45 45 GLU H H 1 8.5680 . . 1 . . . . . 45 GLU HN . 50512 1 147 . 1 . 1 45 45 GLU CA C 13 58.3200 . . 1 . . . . . 45 GLU CA . 50512 1 148 . 1 . 1 45 45 GLU CB C 13 30.5400 . . 1 . . . . . 45 GLU CB . 50512 1 149 . 1 . 1 45 45 GLU N N 15 118.1370 . . 1 . . . . . 45 GLU N . 50512 1 150 . 1 . 1 46 46 ALA H H 1 7.5850 . . 1 . . . . . 46 ALA HN . 50512 1 151 . 1 . 1 46 46 ALA CA C 13 51.8200 . . 1 . . . . . 46 ALA CA . 50512 1 152 . 1 . 1 46 46 ALA CB C 13 19.8200 . . 1 . . . . . 46 ALA CB . 50512 1 153 . 1 . 1 46 46 ALA N N 15 119.3510 . . 1 . . . . . 46 ALA N . 50512 1 154 . 1 . 1 47 47 VAL H H 1 8.7630 . . 1 . . . . . 47 VAL HN . 50512 1 155 . 1 . 1 47 47 VAL CA C 13 63.4200 . . 1 . . . . . 47 VAL CA . 50512 1 156 . 1 . 1 47 47 VAL CB C 13 32.3000 . . 1 . . . . . 47 VAL CB . 50512 1 157 . 1 . 1 47 47 VAL N N 15 125.7640 . . 1 . . . . . 47 VAL N . 50512 1 158 . 1 . 1 48 48 LEU H H 1 8.9070 . . 1 . . . . . 48 LEU HN . 50512 1 159 . 1 . 1 48 48 LEU CA C 13 54.9800 . . 1 . . . . . 48 LEU CA . 50512 1 160 . 1 . 1 48 48 LEU CB C 13 42.1500 . . 1 . . . . . 48 LEU CB . 50512 1 161 . 1 . 1 48 48 LEU N N 15 129.0710 . . 1 . . . . . 48 LEU N . 50512 1 162 . 1 . 1 49 49 GLY H H 1 6.5050 . . 1 . . . . . 49 GLY HN . 50512 1 163 . 1 . 1 49 49 GLY CA C 13 44.6100 . . 1 . . . . . 49 GLY CA . 50512 1 164 . 1 . 1 49 49 GLY N N 15 105.9650 . . 1 . . . . . 49 GLY N . 50512 1 165 . 1 . 1 50 50 SER H H 1 8.0020 . . 1 . . . . . 50 SER HN . 50512 1 166 . 1 . 1 50 50 SER CA C 13 56.2100 . . 1 . . . . . 50 SER CA . 50512 1 167 . 1 . 1 50 50 SER CB C 13 66.4100 . . 1 . . . . . 50 SER CB . 50512 1 168 . 1 . 1 50 50 SER N N 15 110.5820 . . 1 . . . . . 50 SER N . 50512 1 169 . 1 . 1 51 51 ILE H H 1 9.0350 . . 1 . . . . . 51 ILE HN . 50512 1 170 . 1 . 1 51 51 ILE CA C 13 58.6800 . . 1 . . . . . 51 ILE CA . 50512 1 171 . 1 . 1 51 51 ILE CB C 13 41.9700 . . 1 . . . . . 51 ILE CB . 50512 1 172 . 1 . 1 51 51 ILE N N 15 122.9110 . . 1 . . . . . 51 ILE N . 50512 1 173 . 1 . 1 54 54 PRO CA C 13 66.5300 . . 1 . . . . . 54 PRO CA . 50512 1 174 . 1 . 1 54 54 PRO CB C 13 30.9000 . . 1 . . . . . 54 PRO CB . 50512 1 175 . 1 . 1 55 55 SER H H 1 8.4610 . . 1 . . . . . 55 SER HN . 50512 1 176 . 1 . 1 55 55 SER CA C 13 60.7900 . . 1 . . . . . 55 SER CA . 50512 1 177 . 1 . 1 55 55 SER CB C 13 63.0700 . . 1 . . . . . 55 SER CB . 50512 1 178 . 1 . 1 55 55 SER N N 15 112.4430 . . 1 . . . . . 55 SER N . 50512 1 179 . 1 . 1 56 56 TYR H H 1 8.5540 . . 1 . . . . . 56 TYR HN . 50512 1 180 . 1 . 1 56 56 TYR CA C 13 59.2000 . . 1 . . . . . 56 TYR CA . 50512 1 181 . 1 . 1 56 56 TYR CB C 13 40.7400 . . 1 . . . . . 56 TYR CB . 50512 1 182 . 1 . 1 56 56 TYR N N 15 120.0400 . . 1 . . . . . 56 TYR N . 50512 1 183 . 1 . 1 57 57 VAL H H 1 8.9480 . . 1 . . . . . 57 VAL HN . 50512 1 184 . 1 . 1 57 57 VAL CA C 13 62.5400 . . 1 . . . . . 57 VAL CA . 50512 1 185 . 1 . 1 57 57 VAL CB C 13 34.2400 . . 1 . . . . . 57 VAL CB . 50512 1 186 . 1 . 1 57 57 VAL N N 15 118.2990 . . 1 . . . . . 57 VAL N . 50512 1 187 . 1 . 1 58 58 ILE H H 1 9.1530 . . 1 . . . . . 58 ILE HN . 50512 1 188 . 1 . 1 58 58 ILE CA C 13 60.9600 . . 1 . . . . . 58 ILE CA . 50512 1 189 . 1 . 1 58 58 ILE CB C 13 38.2800 . . 1 . . . . . 58 ILE CB . 50512 1 190 . 1 . 1 58 58 ILE N N 15 132.4620 . . 1 . . . . . 58 ILE N . 50512 1 191 . 1 . 1 59 59 SER H H 1 9.2990 . . 1 . . . . . 59 SER HN . 50512 1 192 . 1 . 1 59 59 SER CA C 13 56.5700 . . 1 . . . . . 59 SER CA . 50512 1 193 . 1 . 1 59 59 SER CB C 13 64.6500 . . 1 . . . . . 59 SER CB . 50512 1 194 . 1 . 1 59 59 SER N N 15 122.1190 . . 1 . . . . . 59 SER N . 50512 1 195 . 1 . 1 61 61 VAL H H 1 7.4910 . . 1 . . . . . 61 VAL HN . 50512 1 196 . 1 . 1 61 61 VAL CA C 13 63.0700 . . 1 . . . . . 61 VAL CA . 50512 1 197 . 1 . 1 61 61 VAL CB C 13 32.1300 . . 1 . . . . . 61 VAL CB . 50512 1 198 . 1 . 1 61 61 VAL N N 15 113.9680 . . 1 . . . . . 61 VAL N . 50512 1 199 . 1 . 1 62 62 ALA H H 1 9.7080 . . 1 . . . . . 62 ALA HN . 50512 1 200 . 1 . 1 62 62 ALA CA C 13 49.7100 . . 1 . . . . . 62 ALA CA . 50512 1 201 . 1 . 1 62 62 ALA CB C 13 19.9900 . . 1 . . . . . 62 ALA CB . 50512 1 202 . 1 . 1 62 62 ALA N N 15 127.4490 . . 1 . . . . . 62 ALA N . 50512 1 203 . 1 . 1 63 63 PRO CA C 13 66.5900 . . 1 . . . . . 63 PRO CA . 50512 1 204 . 1 . 1 63 63 PRO CB C 13 31.4200 . . 1 . . . . . 63 PRO CB . 50512 1 205 . 1 . 1 64 64 GLU H H 1 9.4950 . . 1 . . . . . 64 GLU HN . 50512 1 206 . 1 . 1 64 64 GLU CA C 13 59.0300 . . 1 . . . . . 64 GLU CA . 50512 1 207 . 1 . 1 64 64 GLU CB C 13 27.9100 . . 1 . . . . . 64 GLU CB . 50512 1 208 . 1 . 1 64 64 GLU N N 15 115.1010 . . 1 . . . . . 64 GLU N . 50512 1 209 . 1 . 1 65 65 ASP H H 1 8.1350 . . 1 . . . . . 65 ASP HN . 50512 1 210 . 1 . 1 65 65 ASP CA C 13 57.0900 . . 1 . . . . . 65 ASP CA . 50512 1 211 . 1 . 1 65 65 ASP CB C 13 41.4500 . . 1 . . . . . 65 ASP CB . 50512 1 212 . 1 . 1 65 65 ASP N N 15 118.5750 . . 1 . . . . . 65 ASP N . 50512 1 213 . 1 . 1 66 66 ARG H H 1 7.8340 . . 1 . . . . . 66 ARG HN . 50512 1 214 . 1 . 1 66 66 ARG CA C 13 57.0900 . . 1 . . . . . 66 ARG CA . 50512 1 215 . 1 . 1 66 66 ARG CB C 13 27.0300 . . 1 . . . . . 66 ARG CB . 50512 1 216 . 1 . 1 66 66 ARG N N 15 113.5140 . . 1 . . . . . 66 ARG N . 50512 1 217 . 1 . 1 67 67 ILE H H 1 8.8430 . . 1 . . . . . 67 ILE HN . 50512 1 218 . 1 . 1 67 67 ILE CA C 13 58.8500 . . 1 . . . . . 67 ILE CA . 50512 1 219 . 1 . 1 67 67 ILE CB C 13 38.6300 . . 1 . . . . . 67 ILE CB . 50512 1 220 . 1 . 1 67 67 ILE N N 15 121.1610 . . 1 . . . . . 67 ILE N . 50512 1 221 . 1 . 1 68 68 SER H H 1 8.7570 . . 1 . . . . . 68 SER HN . 50512 1 222 . 1 . 1 68 68 SER CA C 13 58.6800 . . 1 . . . . . 68 SER CA . 50512 1 223 . 1 . 1 68 68 SER CB C 13 63.6000 . . 1 . . . . . 68 SER CB . 50512 1 224 . 1 . 1 68 68 SER N N 15 123.0080 . . 1 . . . . . 68 SER N . 50512 1 225 . 1 . 1 69 69 ARG H H 1 6.9830 . . 1 . . . . . 69 ARG HN . 50512 1 226 . 1 . 1 69 69 ARG CA C 13 56.9200 . . 1 . . . . . 69 ARG CA . 50512 1 227 . 1 . 1 69 69 ARG CB C 13 29.8400 . . 1 . . . . . 69 ARG CB . 50512 1 228 . 1 . 1 69 69 ARG N N 15 124.5100 . . 1 . . . . . 69 ARG N . 50512 1 229 . 1 . 1 70 70 LYS H H 1 8.4930 . . 1 . . . . . 70 LYS HN . 50512 1 230 . 1 . 1 70 70 LYS CA C 13 57.4500 . . 1 . . . . . 70 LYS CA . 50512 1 231 . 1 . 1 70 70 LYS CB C 13 32.4800 . . 1 . . . . . 70 LYS CB . 50512 1 232 . 1 . 1 70 70 LYS N N 15 128.9380 . . 1 . . . . . 70 LYS N . 50512 1 233 . 1 . 1 71 71 TYR H H 1 8.5750 . . 1 . . . . . 71 TYR HN . 50512 1 234 . 1 . 1 71 71 TYR CA C 13 57.2700 . . 1 . . . . . 71 TYR CA . 50512 1 235 . 1 . 1 71 71 TYR CB C 13 33.1800 . . 1 . . . . . 71 TYR CB . 50512 1 236 . 1 . 1 71 71 TYR N N 15 116.6640 . . 1 . . . . . 71 TYR N . 50512 1 237 . 1 . 1 72 72 SER H H 1 7.7840 . . 1 . . . . . 72 SER HN . 50512 1 238 . 1 . 1 72 72 SER CA C 13 58.5000 . . 1 . . . . . 72 SER CA . 50512 1 239 . 1 . 1 72 72 SER CB C 13 65.3600 . . 1 . . . . . 72 SER CB . 50512 1 240 . 1 . 1 72 72 SER N N 15 112.0270 . . 1 . . . . . 72 SER N . 50512 1 241 . 1 . 1 73 73 PHE H H 1 9.7040 . . 1 . . . . . 73 PHE HN . 50512 1 242 . 1 . 1 73 73 PHE CA C 13 55.5100 . . 1 . . . . . 73 PHE CA . 50512 1 243 . 1 . 1 73 73 PHE CB C 13 40.5700 . . 1 . . . . . 73 PHE CB . 50512 1 244 . 1 . 1 73 73 PHE N N 15 122.1830 . . 1 . . . . . 73 PHE N . 50512 1 245 . 1 . 1 74 74 LYS H H 1 9.7740 . . 1 . . . . . 74 LYS HN . 50512 1 246 . 1 . 1 74 74 LYS CA C 13 53.2300 . . 1 . . . . . 74 LYS CA . 50512 1 247 . 1 . 1 74 74 LYS CB C 13 37.9300 . . 1 . . . . . 74 LYS CB . 50512 1 248 . 1 . 1 74 74 LYS N N 15 116.5620 . . 1 . . . . . 74 LYS N . 50512 1 249 . 1 . 1 75 75 ALA H H 1 9.0750 . . 1 . . . . . 75 ALA HN . 50512 1 250 . 1 . 1 75 75 ALA CA C 13 50.2400 . . 1 . . . . . 75 ALA CA . 50512 1 251 . 1 . 1 75 75 ALA CB C 13 21.4000 . . 1 . . . . . 75 ALA CB . 50512 1 252 . 1 . 1 75 75 ALA N N 15 123.6770 . . 1 . . . . . 75 ALA N . 50512 1 253 . 1 . 1 76 76 VAL H H 1 8.9670 . . 1 . . . . . 76 VAL HN . 50512 1 254 . 1 . 1 76 76 VAL CA C 13 60.7900 . . 1 . . . . . 76 VAL CA . 50512 1 255 . 1 . 1 76 76 VAL CB C 13 34.9400 . . 1 . . . . . 76 VAL CB . 50512 1 256 . 1 . 1 76 76 VAL N N 15 123.8000 . . 1 . . . . . 76 VAL N . 50512 1 257 . 1 . 1 77 77 HIS H H 1 9.2880 . . 1 . . . . . 77 HIS HN . 50512 1 258 . 1 . 1 77 77 HIS CA C 13 57.2700 . . 1 . . . . . 77 HIS CA . 50512 1 259 . 1 . 1 77 77 HIS CB C 13 30.5400 . . 1 . . . . . 77 HIS CB . 50512 1 260 . 1 . 1 77 77 HIS N N 15 131.1160 . . 1 . . . . . 77 HIS N . 50512 1 261 . 1 . 1 78 78 THR H H 1 8.2950 . . 1 . . . . . 78 THR HN . 50512 1 262 . 1 . 1 78 78 THR CA C 13 62.9000 . . 1 . . . . . 78 THR CA . 50512 1 263 . 1 . 1 78 78 THR CB C 13 69.9300 . . 1 . . . . . 78 THR CB . 50512 1 264 . 1 . 1 78 78 THR N N 15 119.3990 . . 1 . . . . . 78 THR N . 50512 1 265 . 1 . 1 79 79 GLY CA C 13 45.3100 . . 1 . . . . . 79 GLY CA . 50512 1 266 . 1 . 1 80 80 MET H H 1 8.1710 . . 1 . . . . . 80 MET HN . 50512 1 267 . 1 . 1 80 80 MET CA C 13 55.8600 . . 1 . . . . . 80 MET CA . 50512 1 268 . 1 . 1 80 80 MET CB C 13 32.4800 . . 1 . . . . . 80 MET CB . 50512 1 269 . 1 . 1 80 80 MET N N 15 120.0260 . . 1 . . . . . 80 MET N . 50512 1 270 . 1 . 1 81 81 ARG H H 1 8.3450 . . 1 . . . . . 81 ARG HN . 50512 1 271 . 1 . 1 81 81 ARG CA C 13 56.3900 . . 1 . . . . . 81 ARG CA . 50512 1 272 . 1 . 1 81 81 ARG CB C 13 30.7200 . . 1 . . . . . 81 ARG CB . 50512 1 273 . 1 . 1 81 81 ARG N N 15 122.0450 . . 1 . . . . . 81 ARG N . 50512 1 274 . 1 . 1 82 82 ALA H H 1 8.2780 . . 1 . . . . . 82 ALA HN . 50512 1 275 . 1 . 1 82 82 ALA CA C 13 52.5400 . . 1 . . . . . 82 ALA CA . 50512 1 276 . 1 . 1 82 82 ALA CB C 13 19.1200 . . 1 . . . . . 82 ALA CB . 50512 1 277 . 1 . 1 82 82 ALA N N 15 124.2340 . . 1 . . . . . 82 ALA N . 50512 1 278 . 1 . 1 83 83 LEU H H 1 8.1400 . . 1 . . . . . 83 LEU HN . 50512 1 279 . 1 . 1 83 83 LEU CA C 13 55.5100 . . 1 . . . . . 83 LEU CA . 50512 1 280 . 1 . 1 83 83 LEU CB C 13 42.1500 . . 1 . . . . . 83 LEU CB . 50512 1 281 . 1 . 1 83 83 LEU N N 15 121.2030 . . 1 . . . . . 83 LEU N . 50512 1 282 . 1 . 1 84 84 ILE H H 1 7.9460 . . 1 . . . . . 84 ILE HN . 50512 1 283 . 1 . 1 84 84 ILE CA C 13 61.1400 . . 1 . . . . . 84 ILE CA . 50512 1 284 . 1 . 1 84 84 ILE CB C 13 38.6000 . . 1 . . . . . 84 ILE CB . 50512 1 285 . 1 . 1 84 84 ILE N N 15 120.3120 . . 1 . . . . . 84 ILE N . 50512 1 286 . 1 . 1 85 85 TYR H H 1 8.2780 . . 1 . . . . . 85 TYR HN . 50512 1 287 . 1 . 1 85 85 TYR CA C 13 58.1500 . . 1 . . . . . 85 TYR CA . 50512 1 288 . 1 . 1 85 85 TYR CB C 13 38.8100 . . 1 . . . . . 85 TYR CB . 50512 1 289 . 1 . 1 85 85 TYR N N 15 124.2650 . . 1 . . . . . 85 TYR N . 50512 1 290 . 1 . 1 86 86 ASN H H 1 8.3230 . . 1 . . . . . 86 ASN HN . 50512 1 291 . 1 . 1 86 86 ASN CA C 13 53.0500 . . 1 . . . . . 86 ASN CA . 50512 1 292 . 1 . 1 86 86 ASN CB C 13 38.9800 . . 1 . . . . . 86 ASN CB . 50512 1 293 . 1 . 1 86 86 ASN N N 15 121.1320 . . 1 . . . . . 86 ASN N . 50512 1 294 . 1 . 1 87 87 SER H H 1 8.3620 . . 1 . . . . . 87 SER HN . 50512 1 295 . 1 . 1 87 87 SER CA C 13 59.0300 . . 1 . . . . . 87 SER CA . 50512 1 296 . 1 . 1 87 87 SER CB C 13 63.7800 . . 1 . . . . . 87 SER CB . 50512 1 297 . 1 . 1 87 87 SER N N 15 116.4080 . . 1 . . . . . 87 SER N . 50512 1 298 . 1 . 1 88 88 SER H H 1 8.4910 . . 1 . . . . . 88 SER HN . 50512 1 299 . 1 . 1 88 88 SER CA C 13 59.0300 . . 1 . . . . . 88 SER CA . 50512 1 300 . 1 . 1 88 88 SER CB C 13 63.7800 . . 1 . . . . . 88 SER CB . 50512 1 301 . 1 . 1 88 88 SER N N 15 117.7530 . . 1 . . . . . 88 SER N . 50512 1 302 . 1 . 1 89 89 THR H H 1 8.0900 . . 1 . . . . . 89 THR HN . 50512 1 303 . 1 . 1 89 89 THR CA C 13 62.1900 . . 1 . . . . . 89 THR CA . 50512 1 304 . 1 . 1 89 89 THR CB C 13 69.7500 . . 1 . . . . . 89 THR CB . 50512 1 305 . 1 . 1 89 89 THR N N 15 114.9120 . . 1 . . . . . 89 THR N . 50512 1 306 . 1 . 1 90 90 ALA H H 1 8.2540 . . 1 . . . . . 90 ALA HN . 50512 1 307 . 1 . 1 90 90 ALA CA C 13 52.2300 . . 1 . . . . . 90 ALA CA . 50512 1 308 . 1 . 1 90 90 ALA CB C 13 18.9400 . . 1 . . . . . 90 ALA CB . 50512 1 309 . 1 . 1 90 90 ALA N N 15 126.2330 . . 1 . . . . . 90 ALA N . 50512 1 310 . 1 . 1 91 91 GLY H H 1 8.4250 . . 1 . . . . . 91 GLY HN . 50512 1 311 . 1 . 1 91 91 GLY CA C 13 45.4900 . . 1 . . . . . 91 GLY CA . 50512 1 312 . 1 . 1 91 91 GLY N N 15 108.2080 . . 1 . . . . . 91 GLY N . 50512 1 313 . 1 . 1 92 92 SER H H 1 8.2360 . . 1 . . . . . 92 SER HN . 50512 1 314 . 1 . 1 92 92 SER CA C 13 58.7600 . . 1 . . . . . 92 SER CA . 50512 1 315 . 1 . 1 92 92 SER CB C 13 64.1300 . . 1 . . . . . 92 SER CB . 50512 1 316 . 1 . 1 92 92 SER N N 15 115.6990 . . 1 . . . . . 92 SER N . 50512 1 317 . 1 . 1 93 93 GLN H H 1 8.5310 . . 1 . . . . . 93 GLN HN . 50512 1 318 . 1 . 1 93 93 GLN CA C 13 56.4300 . . 1 . . . . . 93 GLN CA . 50512 1 319 . 1 . 1 93 93 GLN CB C 13 29.1400 . . 1 . . . . . 93 GLN CB . 50512 1 320 . 1 . 1 93 93 GLN N N 15 122.0190 . . 1 . . . . . 93 GLN N . 50512 1 321 . 1 . 1 94 94 ALA H H 1 8.2740 . . 1 . . . . . 94 ALA HN . 50512 1 322 . 1 . 1 94 94 ALA CA C 13 53.2300 . . 1 . . . . . 94 ALA CA . 50512 1 323 . 1 . 1 94 94 ALA CB C 13 18.9400 . . 1 . . . . . 94 ALA CB . 50512 1 324 . 1 . 1 94 94 ALA N N 15 124.2420 . . 1 . . . . . 94 ALA N . 50512 1 325 . 1 . 1 95 95 GLU H H 1 8.3320 . . 1 . . . . . 95 GLU HN . 50512 1 326 . 1 . 1 95 95 GLU CA C 13 57.0900 . . 1 . . . . . 95 GLU CA . 50512 1 327 . 1 . 1 95 95 GLU CB C 13 29.8400 . . 1 . . . . . 95 GLU CB . 50512 1 328 . 1 . 1 95 95 GLU N N 15 119.5830 . . 1 . . . . . 95 GLU N . 50512 1 329 . 1 . 1 96 96 GLN H H 1 8.3730 . . 1 . . . . . 96 GLN HN . 50512 1 330 . 1 . 1 96 96 GLN CA C 13 56.2100 . . 1 . . . . . 96 GLN CA . 50512 1 331 . 1 . 1 96 96 GLN CB C 13 29.3100 . . 1 . . . . . 96 GLN CB . 50512 1 332 . 1 . 1 96 96 GLN N N 15 120.7530 . . 1 . . . . . 96 GLN N . 50512 1 333 . 1 . 1 97 97 SER H H 1 8.3870 . . 1 . . . . . 97 SER HN . 50512 1 334 . 1 . 1 97 97 SER CA C 13 59.2000 . . 1 . . . . . 97 SER CA . 50512 1 335 . 1 . 1 97 97 SER CB C 13 63.9500 . . 1 . . . . . 97 SER CB . 50512 1 336 . 1 . 1 97 97 SER N N 15 116.6870 . . 1 . . . . . 97 SER N . 50512 1 337 . 1 . 1 98 98 GLY H H 1 8.4210 . . 1 . . . . . 98 GLY HN . 50512 1 338 . 1 . 1 98 98 GLY CA C 13 45.6700 . . 1 . . . . . 98 GLY CA . 50512 1 339 . 1 . 1 98 98 GLY N N 15 110.2240 . . 1 . . . . . 98 GLY N . 50512 1 340 . 1 . 1 99 99 MET H H 1 7.9990 . . 1 . . . . . 99 MET HN . 50512 1 341 . 1 . 1 99 99 MET CA C 13 54.9800 . . 1 . . . . . 99 MET CA . 50512 1 342 . 1 . 1 99 99 MET CB C 13 32.6500 . . 1 . . . . . 99 MET CB . 50512 1 343 . 1 . 1 99 99 MET N N 15 118.7240 . . 1 . . . . . 99 MET N . 50512 1 344 . 1 . 1 100 100 ARG H H 1 8.1930 . . 1 . . . . . 100 ARG HN . 50512 1 345 . 1 . 1 100 100 ARG CA C 13 57.0900 . . 1 . . . . . 100 ARG CA . 50512 1 346 . 1 . 1 100 100 ARG CB C 13 31.0700 . . 1 . . . . . 100 ARG CB . 50512 1 347 . 1 . 1 100 100 ARG N N 15 122.0590 . . 1 . . . . . 100 ARG N . 50512 1 348 . 1 . 1 101 101 THR H H 1 8.0540 . . 1 . . . . . 101 THR HN . 50512 1 349 . 1 . 1 101 101 THR CA C 13 61.8400 . . 1 . . . . . 101 THR CA . 50512 1 350 . 1 . 1 101 101 THR CB C 13 71.1600 . . 1 . . . . . 101 THR CB . 50512 1 351 . 1 . 1 101 101 THR N N 15 118.1780 . . 1 . . . . . 101 THR N . 50512 1 352 . 1 . 1 102 102 TYR H H 1 8.5170 . . 1 . . . . . 102 TYR HN . 50512 1 353 . 1 . 1 102 102 TYR CA C 13 56.9200 . . 1 . . . . . 102 TYR CA . 50512 1 354 . 1 . 1 102 102 TYR CB C 13 43.2000 . . 1 . . . . . 102 TYR CB . 50512 1 355 . 1 . 1 102 102 TYR N N 15 124.4820 . . 1 . . . . . 102 TYR N . 50512 1 356 . 1 . 1 103 103 TYR H H 1 8.6870 . . 1 . . . . . 103 TYR HN . 50512 1 357 . 1 . 1 103 103 TYR CA C 13 57.4500 . . 1 . . . . . 103 TYR CA . 50512 1 358 . 1 . 1 103 103 TYR CB C 13 41.0900 . . 1 . . . . . 103 TYR CB . 50512 1 359 . 1 . 1 103 103 TYR N N 15 118.8680 . . 1 . . . . . 103 TYR N . 50512 1 360 . 1 . 1 104 104 PHE H H 1 8.9200 . . 1 . . . . . 104 PHE HN . 50512 1 361 . 1 . 1 104 104 PHE CA C 13 55.1600 . . 1 . . . . . 104 PHE CA . 50512 1 362 . 1 . 1 104 104 PHE CB C 13 43.7300 . . 1 . . . . . 104 PHE CB . 50512 1 363 . 1 . 1 104 104 PHE N N 15 118.8610 . . 1 . . . . . 104 PHE N . 50512 1 364 . 1 . 1 105 105 SER H H 1 8.9320 . . 1 . . . . . 105 SER HN . 50512 1 365 . 1 . 1 105 105 SER CA C 13 57.8000 . . 1 . . . . . 105 SER CA . 50512 1 366 . 1 . 1 105 105 SER CB C 13 64.8300 . . 1 . . . . . 105 SER CB . 50512 1 367 . 1 . 1 105 105 SER N N 15 112.5000 . . 1 . . . . . 105 SER N . 50512 1 368 . 1 . 1 106 106 ALA H H 1 8.7020 . . 1 . . . . . 106 ALA HN . 50512 1 369 . 1 . 1 106 106 ALA CA C 13 49.9300 . . 1 . . . . . 106 ALA CA . 50512 1 370 . 1 . 1 106 106 ALA CB C 13 22.8100 . . 1 . . . . . 106 ALA CB . 50512 1 371 . 1 . 1 106 106 ALA N N 15 130.0890 . . 1 . . . . . 106 ALA N . 50512 1 372 . 1 . 1 107 107 ASP H H 1 9.4980 . . 1 . . . . . 107 ASP HN . 50512 1 373 . 1 . 1 107 107 ASP CA C 13 56.3900 . . 1 . . . . . 107 ASP CA . 50512 1 374 . 1 . 1 107 107 ASP CB C 13 41.9700 . . 1 . . . . . 107 ASP CB . 50512 1 375 . 1 . 1 107 107 ASP N N 15 116.2310 . . 1 . . . . . 107 ASP N . 50512 1 376 . 1 . 1 108 108 THR H H 1 7.2000 . . 1 . . . . . 108 THR HN . 50512 1 377 . 1 . 1 108 108 THR CA C 13 58.8500 . . 1 . . . . . 108 THR CA . 50512 1 378 . 1 . 1 108 108 THR CB C 13 73.6200 . . 1 . . . . . 108 THR CB . 50512 1 379 . 1 . 1 108 108 THR N N 15 104.5060 . . 1 . . . . . 108 THR N . 50512 1 380 . 1 . 1 109 109 GLN H H 1 8.3520 . . 1 . . . . . 109 GLN HN . 50512 1 381 . 1 . 1 109 109 GLN CA C 13 58.1500 . . 1 . . . . . 109 GLN CA . 50512 1 382 . 1 . 1 109 109 GLN CB C 13 28.7900 . . 1 . . . . . 109 GLN CB . 50512 1 383 . 1 . 1 109 109 GLN N N 15 121.8190 . . 1 . . . . . 109 GLN N . 50512 1 384 . 1 . 1 110 110 GLU H H 1 8.8530 . . 1 . . . . . 110 GLU HN . 50512 1 385 . 1 . 1 110 110 GLU CA C 13 60.4300 . . 1 . . . . . 110 GLU CA . 50512 1 386 . 1 . 1 110 110 GLU CB C 13 28.6100 . . 1 . . . . . 110 GLU CB . 50512 1 387 . 1 . 1 110 110 GLU N N 15 118.8750 . . 1 . . . . . 110 GLU N . 50512 1 388 . 1 . 1 111 111 ASP H H 1 8.1310 . . 1 . . . . . 111 ASP HN . 50512 1 389 . 1 . 1 111 111 ASP CA C 13 57.2700 . . 1 . . . . . 111 ASP CA . 50512 1 390 . 1 . 1 111 111 ASP CB C 13 41.4500 . . 1 . . . . . 111 ASP CB . 50512 1 391 . 1 . 1 111 111 ASP N N 15 120.7040 . . 1 . . . . . 111 ASP N . 50512 1 392 . 1 . 1 112 112 MET H H 1 7.8180 . . 1 . . . . . 112 MET HN . 50512 1 393 . 1 . 1 112 112 MET CA C 13 60.0800 . . 1 . . . . . 112 MET CA . 50512 1 394 . 1 . 1 112 112 MET CB C 13 31.6000 . . 1 . . . . . 112 MET CB . 50512 1 395 . 1 . 1 112 112 MET N N 15 119.9910 . . 1 . . . . . 112 MET N . 50512 1 396 . 1 . 1 113 113 ASN H H 1 8.5430 . . 1 . . . . . 113 ASN HN . 50512 1 397 . 1 . 1 113 113 ASN CA C 13 55.6900 . . 1 . . . . . 113 ASN CA . 50512 1 398 . 1 . 1 113 113 ASN CB C 13 36.8700 . . 1 . . . . . 113 ASN CB . 50512 1 399 . 1 . 1 113 113 ASN N N 15 116.6180 . . 1 . . . . . 113 ASN N . 50512 1 400 . 1 . 1 114 114 ALA H H 1 7.9370 . . 1 . . . . . 114 ALA HN . 50512 1 401 . 1 . 1 114 114 ALA CA C 13 55.3400 . . 1 . . . . . 114 ALA CA . 50512 1 402 . 1 . 1 114 114 ALA CB C 13 17.8800 . . 1 . . . . . 114 ALA CB . 50512 1 403 . 1 . 1 114 114 ALA N N 15 122.7430 . . 1 . . . . . 114 ALA N . 50512 1 404 . 1 . 1 115 115 TRP H H 1 8.2640 . . 1 . . . . . 115 TRP HN . 50512 1 405 . 1 . 1 115 115 TRP CA C 13 61.4900 . . 1 . . . . . 115 TRP CA . 50512 1 406 . 1 . 1 115 115 TRP CB C 13 30.3700 . . 1 . . . . . 115 TRP CB . 50512 1 407 . 1 . 1 115 115 TRP N N 15 120.2090 . . 1 . . . . . 115 TRP N . 50512 1 408 . 1 . 1 116 116 VAL H H 1 8.5430 . . 1 . . . . . 116 VAL HN . 50512 1 409 . 1 . 1 116 116 VAL CA C 13 67.1200 . . 1 . . . . . 116 VAL CA . 50512 1 410 . 1 . 1 116 116 VAL CB C 13 31.6000 . . 1 . . . . . 116 VAL CB . 50512 1 411 . 1 . 1 116 116 VAL N N 15 120.1040 . . 1 . . . . . 116 VAL N . 50512 1 412 . 1 . 1 117 117 ARG H H 1 7.5390 . . 1 . . . . . 117 ARG HN . 50512 1 413 . 1 . 1 117 117 ARG CA C 13 59.2000 . . 1 . . . . . 117 ARG CA . 50512 1 414 . 1 . 1 117 117 ARG CB C 13 30.3700 . . 1 . . . . . 117 ARG CB . 50512 1 415 . 1 . 1 117 117 ARG N N 15 117.3400 . . 1 . . . . . 117 ARG N . 50512 1 416 . 1 . 1 118 118 ALA H H 1 8.0190 . . 1 . . . . . 118 ALA HN . 50512 1 417 . 1 . 1 118 118 ALA CA C 13 55.1600 . . 1 . . . . . 118 ALA CA . 50512 1 418 . 1 . 1 118 118 ALA CB C 13 18.4100 . . 1 . . . . . 118 ALA CB . 50512 1 419 . 1 . 1 118 118 ALA N N 15 120.9550 . . 1 . . . . . 118 ALA N . 50512 1 420 . 1 . 1 119 119 MET H H 1 9.2040 . . 1 . . . . . 119 MET HN . 50512 1 421 . 1 . 1 119 119 MET CA C 13 60.6100 . . 1 . . . . . 119 MET CA . 50512 1 422 . 1 . 1 119 119 MET CB C 13 33.0100 . . 1 . . . . . 119 MET CB . 50512 1 423 . 1 . 1 119 119 MET N N 15 116.8930 . . 1 . . . . . 119 MET N . 50512 1 424 . 1 . 1 120 120 ASN H H 1 8.1060 . . 1 . . . . . 120 ASN HN . 50512 1 425 . 1 . 1 120 120 ASN CA C 13 56.9200 . . 1 . . . . . 120 ASN CA . 50512 1 426 . 1 . 1 120 120 ASN CB C 13 38.6300 . . 1 . . . . . 120 ASN CB . 50512 1 427 . 1 . 1 120 120 ASN N N 15 115.6510 . . 1 . . . . . 120 ASN N . 50512 1 428 . 1 . 1 121 121 GLN H H 1 7.9910 . . 1 . . . . . 121 GLN HN . 50512 1 429 . 1 . 1 121 121 GLN CA C 13 59.0300 . . 1 . . . . . 121 GLN CA . 50512 1 430 . 1 . 1 121 121 GLN CB C 13 28.2600 . . 1 . . . . . 121 GLN CB . 50512 1 431 . 1 . 1 121 121 GLN N N 15 119.4550 . . 1 . . . . . 121 GLN N . 50512 1 432 . 1 . 1 122 122 ALA H H 1 7.7730 . . 1 . . . . . 122 ALA HN . 50512 1 433 . 1 . 1 122 122 ALA CA C 13 54.1100 . . 1 . . . . . 122 ALA CA . 50512 1 434 . 1 . 1 122 122 ALA CB C 13 20.3500 . . 1 . . . . . 122 ALA CB . 50512 1 435 . 1 . 1 122 122 ALA N N 15 121.8230 . . 1 . . . . . 122 ALA N . 50512 1 436 . 1 . 1 123 123 ALA H H 1 7.8730 . . 1 . . . . . 123 ALA HN . 50512 1 437 . 1 . 1 123 123 ALA CA C 13 53.7500 . . 1 . . . . . 123 ALA CA . 50512 1 438 . 1 . 1 123 123 ALA CB C 13 20.3500 . . 1 . . . . . 123 ALA CB . 50512 1 439 . 1 . 1 123 123 ALA N N 15 117.6650 . . 1 . . . . . 123 ALA N . 50512 1 440 . 1 . 1 124 124 GLN H H 1 7.5100 . . 1 . . . . . 124 GLN HN . 50512 1 441 . 1 . 1 124 124 GLN CA C 13 55.8600 . . 1 . . . . . 124 GLN CA . 50512 1 442 . 1 . 1 124 124 GLN CB C 13 28.9600 . . 1 . . . . . 124 GLN CB . 50512 1 443 . 1 . 1 124 124 GLN N N 15 115.8920 . . 1 . . . . . 124 GLN N . 50512 1 444 . 1 . 1 125 125 VAL H H 1 7.9830 . . 1 . . . . . 125 VAL HN . 50512 1 445 . 1 . 1 125 125 VAL CA C 13 63.0700 . . 1 . . . . . 125 VAL CA . 50512 1 446 . 1 . 1 125 125 VAL CB C 13 32.1300 . . 1 . . . . . 125 VAL CB . 50512 1 447 . 1 . 1 125 125 VAL N N 15 121.5500 . . 1 . . . . . 125 VAL N . 50512 1 448 . 1 . 1 126 126 LEU H H 1 8.3100 . . 1 . . . . . 126 LEU HN . 50512 1 449 . 1 . 1 126 126 LEU CA C 13 54.9800 . . 1 . . . . . 126 LEU CA . 50512 1 450 . 1 . 1 126 126 LEU CB C 13 42.3200 . . 1 . . . . . 126 LEU CB . 50512 1 451 . 1 . 1 126 126 LEU N N 15 125.5100 . . 1 . . . . . 126 LEU N . 50512 1 452 . 1 . 1 127 127 SER H H 1 7.8820 . . 1 . . . . . 127 SER HN . 50512 1 453 . 1 . 1 127 127 SER CA C 13 59.9100 . . 1 . . . . . 127 SER CA . 50512 1 454 . 1 . 1 127 127 SER CB C 13 65.0100 . . 1 . . . . . 127 SER CB . 50512 1 455 . 1 . 1 127 127 SER N N 15 122.1800 . . 1 . . . . . 127 SER N . 50512 1 stop_ save_