data_27210 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27210 _Entry.Title ; PhoBN F20D assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-08 _Entry.Accession_date 2017-08-08 _Entry.Last_release_date 2017-08-09 _Entry.Original_release_date 2017-08-09 _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 Xinhui Kou . . . . 27210 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27210 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 218 27210 '15N chemical shifts' 109 27210 '1H chemical shifts' 205 27210 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-28 2017-08-08 update BMRB 'update entry citation' 27210 1 . . 2018-02-02 2017-08-08 original author 'original release' 27210 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27210 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29299752 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignment of the Escherichia coli protein mutation PhoBNF20D ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 133 _Citation.Page_last 137 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xinhui Kou X. . . . 27210 1 2 Xinghong Liu X. . . . 27210 1 3 Yixiang Liu Y. . . . 27210 1 4 Conggang Li C. . . . 27210 1 5 Maili Liu M. . . . 27210 1 6 Ling Jiang L. . . . 27210 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27210 _Assembly.ID 1 _Assembly.Name PhoBNF20D _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 PhoBNF20D 1 $PhoBNF20D A . yes native no no . . . 27210 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PhoBNF20D _Entity.Sf_category entity _Entity.Sf_framecode PhoBNF20D _Entity.Entry_ID 27210 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PhoBNF20D _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 ; MARRILVVEDEAPIREMVCD VLEQNGFQPVEAEDYDSAVN QLNEPWPDLILLDWMLPGGS GIQFIKHLKRESMTRDIPVV MLTARGEEEDRVRGLETGAD DYITKPFSPKELVARIKAVM RRISQ ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not persent' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27210 1 2 2 ALA . 27210 1 3 3 ARG . 27210 1 4 4 ARG . 27210 1 5 5 ILE . 27210 1 6 6 LEU . 27210 1 7 7 VAL . 27210 1 8 8 VAL . 27210 1 9 9 GLU . 27210 1 10 10 ASP . 27210 1 11 11 GLU . 27210 1 12 12 ALA . 27210 1 13 13 PRO . 27210 1 14 14 ILE . 27210 1 15 15 ARG . 27210 1 16 16 GLU . 27210 1 17 17 MET . 27210 1 18 18 VAL . 27210 1 19 19 CYS . 27210 1 20 20 ASP . 27210 1 21 21 VAL . 27210 1 22 22 LEU . 27210 1 23 23 GLU . 27210 1 24 24 GLN . 27210 1 25 25 ASN . 27210 1 26 26 GLY . 27210 1 27 27 PHE . 27210 1 28 28 GLN . 27210 1 29 29 PRO . 27210 1 30 30 VAL . 27210 1 31 31 GLU . 27210 1 32 32 ALA . 27210 1 33 33 GLU . 27210 1 34 34 ASP . 27210 1 35 35 TYR . 27210 1 36 36 ASP . 27210 1 37 37 SER . 27210 1 38 38 ALA . 27210 1 39 39 VAL . 27210 1 40 40 ASN . 27210 1 41 41 GLN . 27210 1 42 42 LEU . 27210 1 43 43 ASN . 27210 1 44 44 GLU . 27210 1 45 45 PRO . 27210 1 46 46 TRP . 27210 1 47 47 PRO . 27210 1 48 48 ASP . 27210 1 49 49 LEU . 27210 1 50 50 ILE . 27210 1 51 51 LEU . 27210 1 52 52 LEU . 27210 1 53 53 ASP . 27210 1 54 54 TRP . 27210 1 55 55 MET . 27210 1 56 56 LEU . 27210 1 57 57 PRO . 27210 1 58 58 GLY . 27210 1 59 59 GLY . 27210 1 60 60 SER . 27210 1 61 61 GLY . 27210 1 62 62 ILE . 27210 1 63 63 GLN . 27210 1 64 64 PHE . 27210 1 65 65 ILE . 27210 1 66 66 LYS . 27210 1 67 67 HIS . 27210 1 68 68 LEU . 27210 1 69 69 LYS . 27210 1 70 70 ARG . 27210 1 71 71 GLU . 27210 1 72 72 SER . 27210 1 73 73 MET . 27210 1 74 74 THR . 27210 1 75 75 ARG . 27210 1 76 76 ASP . 27210 1 77 77 ILE . 27210 1 78 78 PRO . 27210 1 79 79 VAL . 27210 1 80 80 VAL . 27210 1 81 81 MET . 27210 1 82 82 LEU . 27210 1 83 83 THR . 27210 1 84 84 ALA . 27210 1 85 85 ARG . 27210 1 86 86 GLY . 27210 1 87 87 GLU . 27210 1 88 88 GLU . 27210 1 89 89 GLU . 27210 1 90 90 ASP . 27210 1 91 91 ARG . 27210 1 92 92 VAL . 27210 1 93 93 ARG . 27210 1 94 94 GLY . 27210 1 95 95 LEU . 27210 1 96 96 GLU . 27210 1 97 97 THR . 27210 1 98 98 GLY . 27210 1 99 99 ALA . 27210 1 100 100 ASP . 27210 1 101 101 ASP . 27210 1 102 102 TYR . 27210 1 103 103 ILE . 27210 1 104 104 THR . 27210 1 105 105 LYS . 27210 1 106 106 PRO . 27210 1 107 107 PHE . 27210 1 108 108 SER . 27210 1 109 109 PRO . 27210 1 110 110 LYS . 27210 1 111 111 GLU . 27210 1 112 112 LEU . 27210 1 113 113 VAL . 27210 1 114 114 ALA . 27210 1 115 115 ARG . 27210 1 116 116 ILE . 27210 1 117 117 LYS . 27210 1 118 118 ALA . 27210 1 119 119 VAL . 27210 1 120 120 MET . 27210 1 121 121 ARG . 27210 1 122 122 ARG . 27210 1 123 123 ILE . 27210 1 124 124 SER . 27210 1 125 125 GLN . 27210 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27210 1 . ALA 2 2 27210 1 . ARG 3 3 27210 1 . ARG 4 4 27210 1 . ILE 5 5 27210 1 . LEU 6 6 27210 1 . VAL 7 7 27210 1 . VAL 8 8 27210 1 . GLU 9 9 27210 1 . ASP 10 10 27210 1 . GLU 11 11 27210 1 . ALA 12 12 27210 1 . PRO 13 13 27210 1 . ILE 14 14 27210 1 . ARG 15 15 27210 1 . GLU 16 16 27210 1 . MET 17 17 27210 1 . VAL 18 18 27210 1 . CYS 19 19 27210 1 . ASP 20 20 27210 1 . VAL 21 21 27210 1 . LEU 22 22 27210 1 . GLU 23 23 27210 1 . GLN 24 24 27210 1 . ASN 25 25 27210 1 . GLY 26 26 27210 1 . PHE 27 27 27210 1 . GLN 28 28 27210 1 . PRO 29 29 27210 1 . VAL 30 30 27210 1 . GLU 31 31 27210 1 . ALA 32 32 27210 1 . GLU 33 33 27210 1 . ASP 34 34 27210 1 . TYR 35 35 27210 1 . ASP 36 36 27210 1 . SER 37 37 27210 1 . ALA 38 38 27210 1 . VAL 39 39 27210 1 . ASN 40 40 27210 1 . GLN 41 41 27210 1 . LEU 42 42 27210 1 . ASN 43 43 27210 1 . GLU 44 44 27210 1 . PRO 45 45 27210 1 . TRP 46 46 27210 1 . PRO 47 47 27210 1 . ASP 48 48 27210 1 . LEU 49 49 27210 1 . ILE 50 50 27210 1 . LEU 51 51 27210 1 . LEU 52 52 27210 1 . ASP 53 53 27210 1 . TRP 54 54 27210 1 . MET 55 55 27210 1 . LEU 56 56 27210 1 . PRO 57 57 27210 1 . GLY 58 58 27210 1 . GLY 59 59 27210 1 . SER 60 60 27210 1 . GLY 61 61 27210 1 . ILE 62 62 27210 1 . GLN 63 63 27210 1 . PHE 64 64 27210 1 . ILE 65 65 27210 1 . LYS 66 66 27210 1 . HIS 67 67 27210 1 . LEU 68 68 27210 1 . LYS 69 69 27210 1 . ARG 70 70 27210 1 . GLU 71 71 27210 1 . SER 72 72 27210 1 . MET 73 73 27210 1 . THR 74 74 27210 1 . ARG 75 75 27210 1 . ASP 76 76 27210 1 . ILE 77 77 27210 1 . PRO 78 78 27210 1 . VAL 79 79 27210 1 . VAL 80 80 27210 1 . MET 81 81 27210 1 . LEU 82 82 27210 1 . THR 83 83 27210 1 . ALA 84 84 27210 1 . ARG 85 85 27210 1 . GLY 86 86 27210 1 . GLU 87 87 27210 1 . GLU 88 88 27210 1 . GLU 89 89 27210 1 . ASP 90 90 27210 1 . ARG 91 91 27210 1 . VAL 92 92 27210 1 . ARG 93 93 27210 1 . GLY 94 94 27210 1 . LEU 95 95 27210 1 . GLU 96 96 27210 1 . THR 97 97 27210 1 . GLY 98 98 27210 1 . ALA 99 99 27210 1 . ASP 100 100 27210 1 . ASP 101 101 27210 1 . TYR 102 102 27210 1 . ILE 103 103 27210 1 . THR 104 104 27210 1 . LYS 105 105 27210 1 . PRO 106 106 27210 1 . PHE 107 107 27210 1 . SER 108 108 27210 1 . PRO 109 109 27210 1 . LYS 110 110 27210 1 . GLU 111 111 27210 1 . LEU 112 112 27210 1 . VAL 113 113 27210 1 . ALA 114 114 27210 1 . ARG 115 115 27210 1 . ILE 116 116 27210 1 . LYS 117 117 27210 1 . ALA 118 118 27210 1 . VAL 119 119 27210 1 . MET 120 120 27210 1 . ARG 121 121 27210 1 . ARG 122 122 27210 1 . ILE 123 123 27210 1 . SER 124 124 27210 1 . GLN 125 125 27210 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 27210 _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 $PhoBNF20D . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27210 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 27210 _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 $PhoBNF20D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PET28a . . . 27210 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27210 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PhoBNF20D '[U-98% 15N]' . . 1 $PhoBNF20D . . 0.6 . . mM . . . . 27210 1 2 PhoBNF20D '[U-95% 13C]' . . 1 $PhoBNF20D . . 0.6 . . mM . . . . 27210 1 3 'soduim chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27210 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 27210 1 5 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27210 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 27210 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27210 1 pH 7.0 . pH 27210 1 pressure 1 . atm 27210 1 temperature 298 . K 27210 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27210 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27210 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27210 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27210 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27210 _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 'Uniform NMR System' . 700 . . . 27210 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 27210 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27210 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27210 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27210 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27210 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27210 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 27210 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27210 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27210 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27210 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 27210 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27210 1 2 '3D HNCO' . . . 27210 1 3 '3D HNCA' . . . 27210 1 4 '3D HNCACB' . . . 27210 1 5 '3D CBCA(CO)NH' . . . 27210 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 MET H H 1 8.77 0.023 . 1 . . . . . 1 M HN . 27210 1 2 . 1 1 1 1 MET HA H 1 4.42 0.023 . 1 . . . . . 1 M HA . 27210 1 3 . 1 1 1 1 MET CA C 13 54.62 0.224 . 1 . . . . . 1 M CA . 27210 1 4 . 1 1 1 1 MET CB C 13 30.68 0.224 . 1 . . . . . 1 M CB . 27210 1 5 . 1 1 1 1 MET N N 15 125.37 0.060 . 1 . . . . . 1 M N . 27210 1 6 . 1 1 2 2 ALA H H 1 8.57 0.023 . 1 . . . . . 2 A HN . 27210 1 7 . 1 1 2 2 ALA HA H 1 4.42 0.023 . 1 . . . . . 2 A HA . 27210 1 8 . 1 1 2 2 ALA CA C 13 48.90 0.224 . 1 . . . . . 2 A CA . 27210 1 9 . 1 1 2 2 ALA CB C 13 18.04 0.224 . 1 . . . . . 2 A CB . 27210 1 10 . 1 1 2 2 ALA N N 15 122.17 0.060 . 1 . . . . . 2 A N . 27210 1 11 . 1 1 3 3 ARG H H 1 8.34 0.023 . 1 . . . . . 3 R HN . 27210 1 12 . 1 1 3 3 ARG HA H 1 4.40 0.023 . 1 . . . . . 3 R HA . 27210 1 13 . 1 1 3 3 ARG CA C 13 52.85 0.224 . 1 . . . . . 3 R CA . 27210 1 14 . 1 1 3 3 ARG CB C 13 28.48 0.224 . 1 . . . . . 3 R CB . 27210 1 15 . 1 1 3 3 ARG N N 15 117.59 0.060 . 1 . . . . . 3 R N . 27210 1 16 . 1 1 4 4 ARG H H 1 9.58 0.023 . 1 . . . . . 4 R HN . 27210 1 17 . 1 1 4 4 ARG HA H 1 5.07 0.023 . 1 . . . . . 4 R HA . 27210 1 18 . 1 1 4 4 ARG CA C 13 52.93 0.224 . 1 . . . . . 4 R CA . 27210 1 19 . 1 1 4 4 ARG CB C 13 29.36 0.224 . 1 . . . . . 4 R CB . 27210 1 20 . 1 1 4 4 ARG N N 15 125.10 0.060 . 1 . . . . . 4 R N . 27210 1 21 . 1 1 5 5 ILE H H 1 8.27 0.023 . 1 . . . . . 5 I HN . 27210 1 22 . 1 1 5 5 ILE HA H 1 4.86 0.023 . 1 . . . . . 5 I HA . 27210 1 23 . 1 1 5 5 ILE CA C 13 54.93 0.224 . 1 . . . . . 5 I CA . 27210 1 24 . 1 1 5 5 ILE CB C 13 37.04 0.224 . 1 . . . . . 5 I CB . 27210 1 25 . 1 1 5 5 ILE N N 15 125.88 0.060 . 1 . . . . . 5 I N . 27210 1 26 . 1 1 6 6 LEU H H 1 8.10 0.023 . 1 . . . . . 6 L HN . 27210 1 27 . 1 1 6 6 LEU HA H 1 4.84 0.023 . 1 . . . . . 6 L HA . 27210 1 28 . 1 1 6 6 LEU CA C 13 51.38 0.224 . 1 . . . . . 6 L CA . 27210 1 29 . 1 1 6 6 LEU CB C 13 40.85 0.224 . 1 . . . . . 6 L CB . 27210 1 30 . 1 1 6 6 LEU N N 15 128.96 0.060 . 1 . . . . . 6 L N . 27210 1 31 . 1 1 7 7 VAL H H 1 9.30 0.023 . 1 . . . . . 7 V HN . 27210 1 32 . 1 1 7 7 VAL HA H 1 4.29 0.023 . 1 . . . . . 7 V HA . 27210 1 33 . 1 1 7 7 VAL CA C 13 58.83 0.224 . 1 . . . . . 7 V CA . 27210 1 34 . 1 1 7 7 VAL CB C 13 29.62 0.224 . 1 . . . . . 7 V CB . 27210 1 35 . 1 1 7 7 VAL N N 15 130.04 0.060 . 1 . . . . . 7 V N . 27210 1 36 . 1 1 8 8 VAL H H 1 8.92 0.023 . 1 . . . . . 8 V HN . 27210 1 37 . 1 1 8 8 VAL HA H 1 4.46 0.023 . 1 . . . . . 8 V HA . 27210 1 38 . 1 1 8 8 VAL CA C 13 57.94 0.224 . 1 . . . . . 8 V CA . 27210 1 39 . 1 1 8 8 VAL CB C 13 27.51 0.224 . 1 . . . . . 8 V CB . 27210 1 40 . 1 1 8 8 VAL N N 15 127.30 0.060 . 1 . . . . . 8 V N . 27210 1 41 . 1 1 9 9 GLU H H 1 7.71 0.023 . 1 . . . . . 9 E HN . 27210 1 42 . 1 1 9 9 GLU HA H 1 4.46 0.023 . 1 . . . . . 9 E HA . 27210 1 43 . 1 1 9 9 GLU CA C 13 52.04 0.224 . 1 . . . . . 9 E CA . 27210 1 44 . 1 1 9 9 GLU CB C 13 29.10 0.224 . 1 . . . . . 9 E CB . 27210 1 45 . 1 1 9 9 GLU N N 15 123.76 0.060 . 1 . . . . . 9 E N . 27210 1 46 . 1 1 10 10 ASP H H 1 9.35 0.023 . 1 . . . . . 10 D HN . 27210 1 47 . 1 1 10 10 ASP HA H 1 4.42 0.023 . 1 . . . . . 10 D HA . 27210 1 48 . 1 1 10 10 ASP CA C 13 53.04 0.224 . 1 . . . . . 10 D CA . 27210 1 49 . 1 1 10 10 ASP CB C 13 38.08 0.224 . 1 . . . . . 10 D CB . 27210 1 50 . 1 1 10 10 ASP N N 15 127.81 0.060 . 1 . . . . . 10 D N . 27210 1 51 . 1 1 12 12 ALA H H 1 6.58 0.023 . 1 . . . . . 12 A HN . 27210 1 52 . 1 1 12 12 ALA CA C 13 59.59 0.224 . 1 . . . . . 12 A CA . 27210 1 53 . 1 1 12 12 ALA N N 15 115.20 0.060 . 1 . . . . . 12 A N . 27210 1 54 . 1 1 14 14 ILE HA H 1 3.83 0.023 . 1 . . . . . 14 I HA . 27210 1 55 . 1 1 15 15 ARG H H 1 8.16 0.023 . 1 . . . . . 15 R HN . 27210 1 56 . 1 1 15 15 ARG HA H 1 3.42 0.023 . 1 . . . . . 15 R HA . 27210 1 57 . 1 1 15 15 ARG CA C 13 58.23 0.224 . 1 . . . . . 15 R CA . 27210 1 58 . 1 1 15 15 ARG CB C 13 27.97 0.224 . 1 . . . . . 15 R CB . 27210 1 59 . 1 1 15 15 ARG N N 15 121.39 0.060 . 1 . . . . . 15 R N . 27210 1 60 . 1 1 16 16 GLU H H 1 8.79 0.023 . 1 . . . . . 16 E HN . 27210 1 61 . 1 1 16 16 GLU HA H 1 3.83 0.023 . 1 . . . . . 16 E HA . 27210 1 62 . 1 1 16 16 GLU CA C 13 56.41 0.224 . 1 . . . . . 16 E CA . 27210 1 63 . 1 1 16 16 GLU CB C 13 26.59 0.224 . 1 . . . . . 16 E CB . 27210 1 64 . 1 1 16 16 GLU N N 15 117.27 0.060 . 1 . . . . . 16 E N . 27210 1 65 . 1 1 17 17 MET H H 1 7.27 0.023 . 1 . . . . . 17 M HN . 27210 1 66 . 1 1 17 17 MET HA H 1 4.17 0.023 . 1 . . . . . 17 M HA . 27210 1 67 . 1 1 17 17 MET CA C 13 56.14 0.224 . 1 . . . . . 17 M CA . 27210 1 68 . 1 1 17 17 MET CB C 13 29.28 0.224 . 1 . . . . . 17 M CB . 27210 1 69 . 1 1 17 17 MET N N 15 119.40 0.060 . 1 . . . . . 17 M N . 27210 1 70 . 1 1 18 18 VAL H H 1 8.59 0.023 . 1 . . . . . 18 V HN . 27210 1 71 . 1 1 18 18 VAL HA H 1 3.33 0.023 . 1 . . . . . 18 V HA . 27210 1 72 . 1 1 18 18 VAL CA C 13 63.71 0.224 . 1 . . . . . 18 V CA . 27210 1 73 . 1 1 18 18 VAL CB C 13 28.50 0.224 . 1 . . . . . 18 V CB . 27210 1 74 . 1 1 18 18 VAL N N 15 118.73 0.060 . 1 . . . . . 18 V N . 27210 1 75 . 1 1 19 19 CYS H H 1 8.41 0.023 . 1 . . . . . 19 C HN . 27210 1 76 . 1 1 19 19 CYS HA H 1 3.75 0.023 . 1 . . . . . 19 C HA . 27210 1 77 . 1 1 19 19 CYS CA C 13 62.50 0.224 . 1 . . . . . 19 C CA . 27210 1 78 . 1 1 19 19 CYS CB C 13 23.60 0.224 . 1 . . . . . 19 C CB . 27210 1 79 . 1 1 19 19 CYS N N 15 116.81 0.060 . 1 . . . . . 19 C N . 27210 1 80 . 1 1 20 20 ASP H H 1 8.00 0.023 . 1 . . . . . 20 D HN . 27210 1 81 . 1 1 20 20 ASP HA H 1 4.36 0.023 . 1 . . . . . 20 D HA . 27210 1 82 . 1 1 20 20 ASP CA C 13 54.56 0.224 . 1 . . . . . 20 D CA . 27210 1 83 . 1 1 20 20 ASP CB C 13 38.21 0.224 . 1 . . . . . 20 D CB . 27210 1 84 . 1 1 20 20 ASP N N 15 119.57 0.060 . 1 . . . . . 20 D N . 27210 1 85 . 1 1 21 21 VAL H H 1 8.12 0.023 . 1 . . . . . 21 V HN . 27210 1 86 . 1 1 21 21 VAL HA H 1 3.59 0.023 . 1 . . . . . 21 V HA . 27210 1 87 . 1 1 21 21 VAL CA C 13 62.99 0.224 . 1 . . . . . 21 V CA . 27210 1 88 . 1 1 21 21 VAL CB C 13 28.83 0.224 . 1 . . . . . 21 V CB . 27210 1 89 . 1 1 21 21 VAL N N 15 118.38 0.060 . 1 . . . . . 21 V N . 27210 1 90 . 1 1 22 22 LEU H H 1 8.56 0.023 . 1 . . . . . 22 L HN . 27210 1 91 . 1 1 22 22 LEU HA H 1 3.90 0.023 . 1 . . . . . 22 L HA . 27210 1 92 . 1 1 22 22 LEU CA C 13 55.62 0.224 . 1 . . . . . 22 L CA . 27210 1 93 . 1 1 22 22 LEU CB C 13 37.67 0.224 . 1 . . . . . 22 L CB . 27210 1 94 . 1 1 22 22 LEU N N 15 120.36 0.060 . 1 . . . . . 22 L N . 27210 1 95 . 1 1 23 23 GLU H H 1 8.60 0.023 . 1 . . . . . 23 E HN . 27210 1 96 . 1 1 23 23 GLU HA H 1 4.44 0.023 . 1 . . . . . 23 E HA . 27210 1 97 . 1 1 23 23 GLU CA C 13 56.83 0.224 . 1 . . . . . 23 E CA . 27210 1 98 . 1 1 23 23 GLU CB C 13 26.39 0.224 . 1 . . . . . 23 E CB . 27210 1 99 . 1 1 23 23 GLU N N 15 122.16 0.060 . 1 . . . . . 23 E N . 27210 1 100 . 1 1 24 24 GLN H H 1 8.25 0.023 . 1 . . . . . 24 Q HN . 27210 1 101 . 1 1 24 24 GLN HA H 1 4.11 0.023 . 1 . . . . . 24 Q HA . 27210 1 102 . 1 1 24 24 GLN CA C 13 55.09 0.224 . 1 . . . . . 24 Q CA . 27210 1 103 . 1 1 24 24 GLN CB C 13 25.60 0.224 . 1 . . . . . 24 Q CB . 27210 1 104 . 1 1 24 24 GLN N N 15 118.04 0.060 . 1 . . . . . 24 Q N . 27210 1 105 . 1 1 25 25 ASN H H 1 7.53 0.023 . 1 . . . . . 25 N HN . 27210 1 106 . 1 1 25 25 ASN HA H 1 4.73 0.023 . 1 . . . . . 25 N HA . 27210 1 107 . 1 1 25 25 ASN CA C 13 50.85 0.224 . 1 . . . . . 25 N CA . 27210 1 108 . 1 1 25 25 ASN CB C 13 38.00 0.224 . 1 . . . . . 25 N CB . 27210 1 109 . 1 1 25 25 ASN N N 15 115.25 0.060 . 1 . . . . . 25 N N . 27210 1 110 . 1 1 26 26 GLY H H 1 7.65 0.023 . 1 . . . . . 26 G HN . 27210 1 111 . 1 1 26 26 GLY HA2 H 1 3.75 0.023 . 1 . . . . . 26 G QA . 27210 1 112 . 1 1 26 26 GLY HA3 H 1 3.75 0.023 . 1 . . . . . 26 G QA . 27210 1 113 . 1 1 26 26 GLY CA C 13 43.28 0.224 . 1 . . . . . 26 G CA . 27210 1 114 . 1 1 26 26 GLY N N 15 105.26 0.060 . 1 . . . . . 26 G N . 27210 1 115 . 1 1 27 27 PHE H H 1 7.98 0.023 . 1 . . . . . 27 F HN . 27210 1 116 . 1 1 27 27 PHE CA C 13 53.62 0.224 . 1 . . . . . 27 F CA . 27210 1 117 . 1 1 27 27 PHE CB C 13 38.21 0.224 . 1 . . . . . 27 F CB . 27210 1 118 . 1 1 27 27 PHE N N 15 117.80 0.060 . 1 . . . . . 27 F N . 27210 1 119 . 1 1 29 29 PRO HA H 1 5.09 0.023 . 1 . . . . . 29 P HA . 27210 1 120 . 1 1 29 29 PRO CA C 13 58.82 0.224 . 1 . . . . . 29 P CA . 27210 1 121 . 1 1 29 29 PRO CB C 13 30.15 0.224 . 1 . . . . . 29 P CB . 27210 1 122 . 1 1 30 30 VAL H H 1 8.89 0.023 . 1 . . . . . 30 V HN . 27210 1 123 . 1 1 30 30 VAL CA C 13 58.69 0.224 . 1 . . . . . 30 V CA . 27210 1 124 . 1 1 30 30 VAL CB C 13 31.34 0.224 . 1 . . . . . 30 V CB . 27210 1 125 . 1 1 30 30 VAL N N 15 123.71 0.060 . 1 . . . . . 30 V N . 27210 1 126 . 1 1 31 31 GLU H H 1 8.12 0.023 . 1 . . . . . 31 E HN . 27210 1 127 . 1 1 31 31 GLU HA H 1 4.29 0.023 . 1 . . . . . 31 E HA . 27210 1 128 . 1 1 31 31 GLU CA C 13 52.35 0.224 . 1 . . . . . 31 E CA . 27210 1 129 . 1 1 31 31 GLU CB C 13 29.98 0.224 . 1 . . . . . 31 E CB . 27210 1 130 . 1 1 31 31 GLU N N 15 121.65 0.060 . 1 . . . . . 31 E N . 27210 1 131 . 1 1 32 32 ALA H H 1 8.18 0.023 . 1 . . . . . 32 A HN . 27210 1 132 . 1 1 32 32 ALA HA H 1 4.21 0.023 . 1 . . . . . 32 A HA . 27210 1 133 . 1 1 32 32 ALA CA C 13 49.23 0.224 . 1 . . . . . 32 A CA . 27210 1 134 . 1 1 32 32 ALA CB C 13 16.23 0.224 . 1 . . . . . 32 A CB . 27210 1 135 . 1 1 32 32 ALA N N 15 125.76 0.060 . 1 . . . . . 32 A N . 27210 1 136 . 1 1 33 33 GLU H H 1 8.49 0.023 . 1 . . . . . 33 E HN . 27210 1 137 . 1 1 33 33 GLU HA H 1 4.30 0.023 . 1 . . . . . 33 E HA . 27210 1 138 . 1 1 33 33 GLU CA C 13 52.65 0.224 . 1 . . . . . 33 E CA . 27210 1 139 . 1 1 33 33 GLU CB C 13 28.35 0.224 . 1 . . . . . 33 E CB . 27210 1 140 . 1 1 33 33 GLU N N 15 120.50 0.060 . 1 . . . . . 33 E N . 27210 1 141 . 1 1 34 34 ASP H H 1 7.35 0.023 . 1 . . . . . 34 D HN . 27210 1 142 . 1 1 34 34 ASP HA H 1 4.23 0.023 . 1 . . . . . 34 D HA . 27210 1 143 . 1 1 34 34 ASP CA C 13 49.05 0.224 . 1 . . . . . 34 D CA . 27210 1 144 . 1 1 34 34 ASP CB C 13 39.01 0.224 . 1 . . . . . 34 D CB . 27210 1 145 . 1 1 34 34 ASP N N 15 113.42 0.060 . 1 . . . . . 34 D N . 27210 1 146 . 1 1 35 35 TYR H H 1 8.51 0.023 . 1 . . . . . 35 Y HN . 27210 1 147 . 1 1 35 35 TYR HA H 1 3.44 0.023 . 1 . . . . . 35 Y HA . 27210 1 148 . 1 1 35 35 TYR CA C 13 59.59 0.224 . 1 . . . . . 35 Y CA . 27210 1 149 . 1 1 35 35 TYR CB C 13 36.36 0.224 . 1 . . . . . 35 Y CB . 27210 1 150 . 1 1 35 35 TYR N N 15 118.90 0.060 . 1 . . . . . 35 Y N . 27210 1 151 . 1 1 36 36 ASP H H 1 8.47 0.023 . 1 . . . . . 36 D HN . 27210 1 152 . 1 1 36 36 ASP HA H 1 4.12 0.023 . 1 . . . . . 36 D HA . 27210 1 153 . 1 1 36 36 ASP CA C 13 54.82 0.224 . 1 . . . . . 36 D CA . 27210 1 154 . 1 1 36 36 ASP CB C 13 37.62 0.224 . 1 . . . . . 36 D CB . 27210 1 155 . 1 1 36 36 ASP N N 15 117.88 0.060 . 1 . . . . . 36 D N . 27210 1 156 . 1 1 37 37 SER H H 1 8.54 0.023 . 1 . . . . . 37 S HN . 27210 1 157 . 1 1 37 37 SER HA H 1 4.05 0.023 . 1 . . . . . 37 S HA . 27210 1 158 . 1 1 37 37 SER CA C 13 58.36 0.224 . 1 . . . . . 37 S CA . 27210 1 159 . 1 1 37 37 SER CB C 13 60.01 0.224 . 1 . . . . . 37 S CB . 27210 1 160 . 1 1 37 37 SER N N 15 114.79 0.060 . 1 . . . . . 37 S N . 27210 1 161 . 1 1 38 38 ALA H H 1 7.72 0.023 . 1 . . . . . 38 A HN . 27210 1 162 . 1 1 38 38 ALA HA H 1 3.52 0.023 . 1 . . . . . 38 A HA . 27210 1 163 . 1 1 38 38 ALA CA C 13 52.60 0.224 . 1 . . . . . 38 A CA . 27210 1 164 . 1 1 38 38 ALA CB C 13 16.21 0.224 . 1 . . . . . 38 A CB . 27210 1 165 . 1 1 38 38 ALA N N 15 125.07 0.060 . 1 . . . . . 38 A N . 27210 1 166 . 1 1 39 39 VAL H H 1 8.14 0.023 . 1 . . . . . 39 V HN . 27210 1 167 . 1 1 39 39 VAL HA H 1 3.43 0.023 . 1 . . . . . 39 V HA . 27210 1 168 . 1 1 39 39 VAL CA C 13 63.85 0.224 . 1 . . . . . 39 V CA . 27210 1 169 . 1 1 39 39 VAL CB C 13 28.53 0.224 . 1 . . . . . 39 V CB . 27210 1 170 . 1 1 39 39 VAL N N 15 116.77 0.060 . 1 . . . . . 39 V N . 27210 1 171 . 1 1 40 40 ASN H H 1 7.74 0.023 . 1 . . . . . 40 N HN . 27210 1 172 . 1 1 40 40 ASN HA H 1 4.42 0.023 . 1 . . . . . 40 N HA . 27210 1 173 . 1 1 40 40 ASN CA C 13 52.16 0.224 . 1 . . . . . 40 N CA . 27210 1 174 . 1 1 40 40 ASN CB C 13 35.62 0.224 . 1 . . . . . 40 N CB . 27210 1 175 . 1 1 40 40 ASN N N 15 117.59 0.060 . 1 . . . . . 40 N N . 27210 1 176 . 1 1 41 41 GLN H H 1 7.32 0.023 . 1 . . . . . 41 Q HN . 27210 1 177 . 1 1 41 41 GLN HA H 1 4.41 0.023 . 1 . . . . . 41 Q HA . 27210 1 178 . 1 1 41 41 GLN CA C 13 52.44 0.224 . 1 . . . . . 41 Q CA . 27210 1 179 . 1 1 41 41 GLN CB C 13 26.31 0.224 . 1 . . . . . 41 Q CB . 27210 1 180 . 1 1 41 41 GLN N N 15 115.27 0.060 . 1 . . . . . 41 Q N . 27210 1 181 . 1 1 42 42 LEU H H 1 7.34 0.023 . 1 . . . . . 42 L HN . 27210 1 182 . 1 1 42 42 LEU HA H 1 4.30 0.023 . 1 . . . . . 42 L HA . 27210 1 183 . 1 1 42 42 LEU CA C 13 49.84 0.224 . 1 . . . . . 42 L CA . 27210 1 184 . 1 1 42 42 LEU CB C 13 36.23 0.224 . 1 . . . . . 42 L CB . 27210 1 185 . 1 1 42 42 LEU N N 15 122.21 0.060 . 1 . . . . . 42 L N . 27210 1 186 . 1 1 43 43 ASN H H 1 7.24 0.023 . 1 . . . . . 43 N HN . 27210 1 187 . 1 1 43 43 ASN HA H 1 3.60 0.023 . 1 . . . . . 43 N HA . 27210 1 188 . 1 1 43 43 ASN CA C 13 47.90 0.224 . 1 . . . . . 43 N CA . 27210 1 189 . 1 1 43 43 ASN CB C 13 38.74 0.224 . 1 . . . . . 43 N CB . 27210 1 190 . 1 1 43 43 ASN N N 15 121.04 0.060 . 1 . . . . . 43 N N . 27210 1 191 . 1 1 44 44 GLU H H 1 7.53 0.023 . 1 . . . . . 44 E HN . 27210 1 192 . 1 1 44 44 GLU HA H 1 3.59 0.023 . 1 . . . . . 44 E HA . 27210 1 193 . 1 1 44 44 GLU CA C 13 51.64 0.224 . 1 . . . . . 44 E CA . 27210 1 194 . 1 1 44 44 GLU CB C 13 26.78 0.224 . 1 . . . . . 44 E CB . 27210 1 195 . 1 1 44 44 GLU N N 15 118.17 0.060 . 1 . . . . . 44 E N . 27210 1 196 . 1 1 46 46 TRP H H 1 7.90 0.023 . 1 . . . . . 46 W HN . 27210 1 197 . 1 1 46 46 TRP CA C 13 55.67 0.224 . 1 . . . . . 46 W CA . 27210 1 198 . 1 1 46 46 TRP CB C 13 27.83 0.224 . 1 . . . . . 46 W CB . 27210 1 199 . 1 1 46 46 TRP N N 15 120.00 0.060 . 1 . . . . . 46 W N . 27210 1 200 . 1 1 47 47 PRO CA C 13 60.01 0.224 . 1 . . . . . 47 P CA . 27210 1 201 . 1 1 47 47 PRO CB C 13 28.96 0.224 . 1 . . . . . 47 P CB . 27210 1 202 . 1 1 48 48 ASP H H 1 9.28 0.023 . 1 . . . . . 48 D HN . 27210 1 203 . 1 1 48 48 ASP HA H 1 4.49 0.023 . 1 . . . . . 48 D HA . 27210 1 204 . 1 1 48 48 ASP CA C 13 53.44 0.224 . 1 . . . . . 48 D CA . 27210 1 205 . 1 1 48 48 ASP CB C 13 40.39 0.224 . 1 . . . . . 48 D CB . 27210 1 206 . 1 1 48 48 ASP N N 15 119.97 0.060 . 1 . . . . . 48 D N . 27210 1 207 . 1 1 49 49 LEU H H 1 7.44 0.023 . 1 . . . . . 49 L HN . 27210 1 208 . 1 1 49 49 LEU HA H 1 4.41 0.023 . 1 . . . . . 49 L HA . 27210 1 209 . 1 1 49 49 LEU CA C 13 52.38 0.224 . 1 . . . . . 49 L CA . 27210 1 210 . 1 1 49 49 LEU CB C 13 41.32 0.224 . 1 . . . . . 49 L CB . 27210 1 211 . 1 1 49 49 LEU N N 15 115.65 0.060 . 1 . . . . . 49 L N . 27210 1 212 . 1 1 50 50 ILE H H 1 8.65 0.023 . 1 . . . . . 50 I HN . 27210 1 213 . 1 1 50 50 ILE HA H 1 4.90 0.023 . 1 . . . . . 50 I HA . 27210 1 214 . 1 1 50 50 ILE CA C 13 57.25 0.224 . 1 . . . . . 50 I CA . 27210 1 215 . 1 1 50 50 ILE CB C 13 38.17 0.224 . 1 . . . . . 50 I CB . 27210 1 216 . 1 1 50 50 ILE N N 15 125.20 0.060 . 1 . . . . . 50 I N . 27210 1 217 . 1 1 51 51 LEU H H 1 9.30 0.023 . 1 . . . . . 51 L HN . 27210 1 218 . 1 1 51 51 LEU HA H 1 5.10 0.023 . 1 . . . . . 51 L HA . 27210 1 219 . 1 1 51 51 LEU CA C 13 50.21 0.224 . 1 . . . . . 51 L CA . 27210 1 220 . 1 1 51 51 LEU CB C 13 41.32 0.224 . 1 . . . . . 51 L CB . 27210 1 221 . 1 1 51 51 LEU N N 15 129.94 0.060 . 1 . . . . . 51 L N . 27210 1 222 . 1 1 52 52 LEU H H 1 8.63 0.023 . 1 . . . . . 52 L HN . 27210 1 223 . 1 1 52 52 LEU HA H 1 4.96 0.023 . 1 . . . . . 52 L HA . 27210 1 224 . 1 1 52 52 LEU CA C 13 50.28 0.224 . 1 . . . . . 52 L CA . 27210 1 225 . 1 1 52 52 LEU CB C 13 44.81 0.224 . 1 . . . . . 52 L CB . 27210 1 226 . 1 1 52 52 LEU N N 15 125.37 0.060 . 1 . . . . . 52 L N . 27210 1 227 . 1 1 53 53 ASP H H 1 8.09 0.023 . 1 . . . . . 53 D HN . 27210 1 228 . 1 1 53 53 ASP CA C 13 50.72 0.224 . 1 . . . . . 53 D CA . 27210 1 229 . 1 1 53 53 ASP CB C 13 37.68 0.224 . 1 . . . . . 53 D CB . 27210 1 230 . 1 1 53 53 ASP N N 15 126.58 0.060 . 1 . . . . . 53 D N . 27210 1 231 . 1 1 54 54 TRP H H 1 8.40 0.023 . 1 . . . . . 54 W HN . 27210 1 232 . 1 1 54 54 TRP CA C 13 56.57 0.224 . 1 . . . . . 54 W CA . 27210 1 233 . 1 1 54 54 TRP CB C 13 27.77 0.224 . 1 . . . . . 54 W CB . 27210 1 234 . 1 1 54 54 TRP N N 15 125.88 0.060 . 1 . . . . . 54 W N . 27210 1 235 . 1 1 55 55 MET H H 1 8.70 0.023 . 1 . . . . . 55 M HN . 27210 1 236 . 1 1 55 55 MET CA C 13 51.01 0.224 . 1 . . . . . 55 M CA . 27210 1 237 . 1 1 55 55 MET CB C 13 28.04 0.224 . 1 . . . . . 55 M CB . 27210 1 238 . 1 1 55 55 MET N N 15 118.07 0.060 . 1 . . . . . 55 M N . 27210 1 239 . 1 1 56 56 LEU H H 1 7.24 0.023 . 1 . . . . . 56 L HN . 27210 1 240 . 1 1 56 56 LEU HA H 1 4.27 0.023 . 1 . . . . . 56 L HA . 27210 1 241 . 1 1 56 56 LEU CA C 13 50.71 0.224 . 1 . . . . . 56 L CA . 27210 1 242 . 1 1 56 56 LEU CB C 13 39.93 0.224 . 1 . . . . . 56 L CB . 27210 1 243 . 1 1 56 56 LEU N N 15 123.56 0.060 . 1 . . . . . 56 L N . 27210 1 244 . 1 1 59 59 GLY H H 1 8.13 0.023 . 1 . . . . . 59 G HN . 27210 1 245 . 1 1 59 59 GLY CA C 13 43.02 0.224 . 1 . . . . . 59 G CA . 27210 1 246 . 1 1 59 59 GLY N N 15 107.99 0.060 . 1 . . . . . 59 G N . 27210 1 247 . 1 1 60 60 SER H H 1 7.53 0.023 . 1 . . . . . 60 S HN . 27210 1 248 . 1 1 60 60 SER CA C 13 56.64 0.224 . 1 . . . . . 60 S CA . 27210 1 249 . 1 1 60 60 SER CB C 13 61.66 0.224 . 1 . . . . . 60 S CB . 27210 1 250 . 1 1 60 60 SER N N 15 114.34 0.060 . 1 . . . . . 60 S N . 27210 1 251 . 1 1 61 61 GLY H H 1 8.93 0.023 . 1 . . . . . 61 G HN . 27210 1 252 . 1 1 61 61 GLY CA C 13 44.55 0.224 . 1 . . . . . 61 G CA . 27210 1 253 . 1 1 61 61 GLY N N 15 112.63 0.060 . 1 . . . . . 61 G N . 27210 1 254 . 1 1 62 62 ILE H H 1 7.64 0.023 . 1 . . . . . 62 I HN . 27210 1 255 . 1 1 62 62 ILE HA H 1 3.91 0.023 . 1 . . . . . 62 I HA . 27210 1 256 . 1 1 62 62 ILE CA C 13 60.96 0.224 . 1 . . . . . 62 I CA . 27210 1 257 . 1 1 62 62 ILE CB C 13 34.58 0.224 . 1 . . . . . 62 I CB . 27210 1 258 . 1 1 62 62 ILE N N 15 120.46 0.060 . 1 . . . . . 62 I N . 27210 1 259 . 1 1 63 63 GLN H H 1 7.53 0.023 . 1 . . . . . 63 Q HN . 27210 1 260 . 1 1 63 63 GLN HA H 1 3.92 0.023 . 1 . . . . . 63 Q HA . 27210 1 261 . 1 1 63 63 GLN CA C 13 55.92 0.224 . 1 . . . . . 63 Q CA . 27210 1 262 . 1 1 63 63 GLN CB C 13 25.40 0.224 . 1 . . . . . 63 Q CB . 27210 1 263 . 1 1 63 63 GLN N N 15 119.52 0.060 . 1 . . . . . 63 Q N . 27210 1 264 . 1 1 64 64 PHE H H 1 8.40 0.023 . 1 . . . . . 64 F HN . 27210 1 265 . 1 1 64 64 PHE HA H 1 3.19 0.023 . 1 . . . . . 64 F HA . 27210 1 266 . 1 1 64 64 PHE CA C 13 59.20 0.224 . 1 . . . . . 64 F CA . 27210 1 267 . 1 1 64 64 PHE CB C 13 36.03 0.224 . 1 . . . . . 64 F CB . 27210 1 268 . 1 1 64 64 PHE N N 15 120.59 0.060 . 1 . . . . . 64 F N . 27210 1 269 . 1 1 65 65 ILE H H 1 8.09 0.023 . 1 . . . . . 65 I HN . 27210 1 270 . 1 1 65 65 ILE HA H 1 3.84 0.023 . 1 . . . . . 65 I HA . 27210 1 271 . 1 1 65 65 ILE CA C 13 62.85 0.224 . 1 . . . . . 65 I CA . 27210 1 272 . 1 1 65 65 ILE CB C 13 34.29 0.224 . 1 . . . . . 65 I CB . 27210 1 273 . 1 1 65 65 ILE N N 15 118.44 0.060 . 1 . . . . . 65 I N . 27210 1 274 . 1 1 66 66 LYS H H 1 7.89 0.023 . 1 . . . . . 66 K HN . 27210 1 275 . 1 1 66 66 LYS HA H 1 3.86 0.023 . 1 . . . . . 66 K HA . 27210 1 276 . 1 1 66 66 LYS CA C 13 57.04 0.224 . 1 . . . . . 66 K CA . 27210 1 277 . 1 1 66 66 LYS CB C 13 29.16 0.224 . 1 . . . . . 66 K CB . 27210 1 278 . 1 1 66 66 LYS N N 15 119.05 0.060 . 1 . . . . . 66 K N . 27210 1 279 . 1 1 67 67 HIS H H 1 7.84 0.023 . 1 . . . . . 67 H HN . 27210 1 280 . 1 1 67 67 HIS CA C 13 57.10 0.224 . 1 . . . . . 67 H CA . 27210 1 281 . 1 1 67 67 HIS CB C 13 27.77 0.224 . 1 . . . . . 67 H CB . 27210 1 282 . 1 1 67 67 HIS N N 15 120.09 0.060 . 1 . . . . . 67 H N . 27210 1 283 . 1 1 69 69 LYS H H 1 7.63 0.023 . 1 . . . . . 69 K HN . 27210 1 284 . 1 1 69 69 LYS HA H 1 3.93 0.023 . 1 . . . . . 69 K HA . 27210 1 285 . 1 1 69 69 LYS CA C 13 52.33 0.224 . 1 . . . . . 69 K CA . 27210 1 286 . 1 1 69 69 LYS CB C 13 27.71 0.224 . 1 . . . . . 69 K CB . 27210 1 287 . 1 1 69 69 LYS N N 15 111.95 0.060 . 1 . . . . . 69 K N . 27210 1 288 . 1 1 70 70 ARG H H 1 7.35 0.023 . 1 . . . . . 70 R HN . 27210 1 289 . 1 1 70 70 ARG HA H 1 3.96 0.023 . 1 . . . . . 70 R HA . 27210 1 290 . 1 1 70 70 ARG CA C 13 54.92 0.224 . 1 . . . . . 70 R CA . 27210 1 291 . 1 1 70 70 ARG CB C 13 27.99 0.224 . 1 . . . . . 70 R CB . 27210 1 292 . 1 1 70 70 ARG N N 15 118.29 0.060 . 1 . . . . . 70 R N . 27210 1 293 . 1 1 71 71 GLU H H 1 6.59 0.023 . 1 . . . . . 71 E HN . 27210 1 294 . 1 1 71 71 GLU HA H 1 4.48 0.023 . 1 . . . . . 71 E HA . 27210 1 295 . 1 1 71 71 GLU CA C 13 51.36 0.224 . 1 . . . . . 71 E CA . 27210 1 296 . 1 1 71 71 GLU CB C 13 28.04 0.224 . 1 . . . . . 71 E CB . 27210 1 297 . 1 1 71 71 GLU N N 15 116.63 0.060 . 1 . . . . . 71 E N . 27210 1 298 . 1 1 73 73 MET H H 1 8.51 0.023 . 1 . . . . . 73 M HN . 27210 1 299 . 1 1 73 73 MET HA H 1 4.04 0.023 . 1 . . . . . 73 M HA . 27210 1 300 . 1 1 73 73 MET CA C 13 54.00 0.224 . 1 . . . . . 73 M CA . 27210 1 301 . 1 1 73 73 MET CB C 13 27.97 0.224 . 1 . . . . . 73 M CB . 27210 1 302 . 1 1 73 73 MET N N 15 116.45 0.060 . 1 . . . . . 73 M N . 27210 1 303 . 1 1 74 74 THR H H 1 7.04 0.023 . 1 . . . . . 74 T HN . 27210 1 304 . 1 1 74 74 THR HA H 1 4.16 0.023 . 1 . . . . . 74 T HA . 27210 1 305 . 1 1 74 74 THR CA C 13 57.63 0.224 . 1 . . . . . 74 T CA . 27210 1 306 . 1 1 74 74 THR CB C 13 66.36 0.224 . 1 . . . . . 74 T CB . 27210 1 307 . 1 1 74 74 THR N N 15 102.98 0.060 . 1 . . . . . 74 T N . 27210 1 308 . 1 1 75 75 ARG HA H 1 3.75 0.023 . 1 . . . . . 75 R HA . 27210 1 309 . 1 1 75 75 ARG CA C 13 56.30 0.224 . 1 . . . . . 75 R CA . 27210 1 310 . 1 1 75 75 ARG CB C 13 27.11 0.224 . 1 . . . . . 75 R CB . 27210 1 311 . 1 1 75 75 ARG N N 15 123.40 0.060 . 1 . . . . . 75 R N . 27210 1 312 . 1 1 76 76 ASP H H 1 8.21 0.023 . 1 . . . . . 76 D HN . 27210 1 313 . 1 1 76 76 ASP HA H 1 4.70 0.023 . 1 . . . . . 76 D HA . 27210 1 314 . 1 1 76 76 ASP CA C 13 50.48 0.224 . 1 . . . . . 76 D CA . 27210 1 315 . 1 1 76 76 ASP CB C 13 38.28 0.224 . 1 . . . . . 76 D CB . 27210 1 316 . 1 1 76 76 ASP N N 15 115.56 0.060 . 1 . . . . . 76 D N . 27210 1 317 . 1 1 77 77 ILE H H 1 7.07 0.023 . 1 . . . . . 77 I HN . 27210 1 318 . 1 1 77 77 ILE CA C 13 57.57 0.224 . 1 . . . . . 77 I CA . 27210 1 319 . 1 1 77 77 ILE CB C 13 36.56 0.224 . 1 . . . . . 77 I CB . 27210 1 320 . 1 1 77 77 ILE N N 15 123.47 0.060 . 1 . . . . . 77 I N . 27210 1 321 . 1 1 78 78 PRO CA C 13 60.02 0.224 . 1 . . . . . 78 P CA . 27210 1 322 . 1 1 78 78 PRO CB C 13 29.36 0.224 . 1 . . . . . 78 P CB . 27210 1 323 . 1 1 79 79 VAL H H 1 8.94 0.023 . 1 . . . . . 79 V HN . 27210 1 324 . 1 1 79 79 VAL HA H 1 4.83 0.023 . 1 . . . . . 79 V HA . 27210 1 325 . 1 1 79 79 VAL CA C 13 57.38 0.224 . 1 . . . . . 79 V CA . 27210 1 326 . 1 1 79 79 VAL CB C 13 32.37 0.224 . 1 . . . . . 79 V CB . 27210 1 327 . 1 1 79 79 VAL N N 15 121.43 0.060 . 1 . . . . . 79 V N . 27210 1 328 . 1 1 80 80 VAL H H 1 9.11 0.023 . 1 . . . . . 80 V HN . 27210 1 329 . 1 1 80 80 VAL HA H 1 4.21 0.023 . 1 . . . . . 80 V HA . 27210 1 330 . 1 1 80 80 VAL CA C 13 56.94 0.224 . 1 . . . . . 80 V CA . 27210 1 331 . 1 1 80 80 VAL CB C 13 30.42 0.224 . 1 . . . . . 80 V CB . 27210 1 332 . 1 1 80 80 VAL N N 15 127.43 0.060 . 1 . . . . . 80 V N . 27210 1 333 . 1 1 81 81 MET H H 1 8.25 0.023 . 1 . . . . . 81 M HN . 27210 1 334 . 1 1 81 81 MET HA H 1 5.39 0.023 . 1 . . . . . 81 M HA . 27210 1 335 . 1 1 81 81 MET CA C 13 50.79 0.224 . 1 . . . . . 81 M CA . 27210 1 336 . 1 1 81 81 MET CB C 13 32.97 0.224 . 1 . . . . . 81 M CB . 27210 1 337 . 1 1 81 81 MET N N 15 126.36 0.060 . 1 . . . . . 81 M N . 27210 1 338 . 1 1 82 82 LEU H H 1 8.85 0.023 . 1 . . . . . 82 L HN . 27210 1 339 . 1 1 82 82 LEU HA H 1 5.36 0.023 . 1 . . . . . 82 L HA . 27210 1 340 . 1 1 82 82 LEU CA C 13 50.75 0.224 . 1 . . . . . 82 L CA . 27210 1 341 . 1 1 82 82 LEU CB C 13 40.79 0.224 . 1 . . . . . 82 L CB . 27210 1 342 . 1 1 82 82 LEU N N 15 125.11 0.060 . 1 . . . . . 82 L N . 27210 1 343 . 1 1 83 83 THR H H 1 8.38 0.023 . 1 . . . . . 83 T HN . 27210 1 344 . 1 1 83 83 THR HA H 1 4.99 0.023 . 1 . . . . . 83 T HA . 27210 1 345 . 1 1 83 83 THR CA C 13 56.41 0.224 . 1 . . . . . 83 T CA . 27210 1 346 . 1 1 83 83 THR CB C 13 68.08 0.224 . 1 . . . . . 83 T CB . 27210 1 347 . 1 1 83 83 THR N N 15 113.16 0.060 . 1 . . . . . 83 T N . 27210 1 348 . 1 1 84 84 ALA H H 1 8.75 0.023 . 1 . . . . . 84 A HN . 27210 1 349 . 1 1 84 84 ALA HA H 1 4.53 0.023 . 1 . . . . . 84 A HA . 27210 1 350 . 1 1 84 84 ALA CA C 13 49.58 0.224 . 1 . . . . . 84 A CA . 27210 1 351 . 1 1 84 84 ALA CB C 13 16.88 0.224 . 1 . . . . . 84 A CB . 27210 1 352 . 1 1 84 84 ALA N N 15 126.58 0.060 . 1 . . . . . 84 A N . 27210 1 353 . 1 1 85 85 ARG H H 1 8.19 0.023 . 1 . . . . . 85 R HN . 27210 1 354 . 1 1 85 85 ARG HA H 1 4.16 0.023 . 1 . . . . . 85 R HA . 27210 1 355 . 1 1 85 85 ARG CA C 13 53.55 0.224 . 1 . . . . . 85 R CA . 27210 1 356 . 1 1 85 85 ARG CB C 13 28.27 0.224 . 1 . . . . . 85 R CB . 27210 1 357 . 1 1 85 85 ARG N N 15 119.12 0.060 . 1 . . . . . 85 R N . 27210 1 358 . 1 1 86 86 GLY H H 1 9.19 0.023 . 1 . . . . . 86 G HN . 27210 1 359 . 1 1 86 86 GLY HA2 H 1 4.14 0.023 . 1 . . . . . 86 G QA . 27210 1 360 . 1 1 86 86 GLY HA3 H 1 4.14 0.023 . 1 . . . . . 86 G QA . 27210 1 361 . 1 1 86 86 GLY CA C 13 42.17 0.224 . 1 . . . . . 86 G CA . 27210 1 362 . 1 1 86 86 GLY N N 15 113.08 0.060 . 1 . . . . . 86 G N . 27210 1 363 . 1 1 87 87 GLU H H 1 8.67 0.023 . 1 . . . . . 87 E HN . 27210 1 364 . 1 1 87 87 GLU HA H 1 3.85 0.023 . 1 . . . . . 87 E HA . 27210 1 365 . 1 1 87 87 GLU CA C 13 57.04 0.224 . 1 . . . . . 87 E CA . 27210 1 366 . 1 1 87 87 GLU CB C 13 26.72 0.224 . 1 . . . . . 87 E CB . 27210 1 367 . 1 1 87 87 GLU N N 15 125.40 0.060 . 1 . . . . . 87 E N . 27210 1 368 . 1 1 88 88 GLU H H 1 7.23 0.023 . 1 . . . . . 88 E HN . 27210 1 369 . 1 1 88 88 GLU HA H 1 3.98 0.023 . 1 . . . . . 88 E HA . 27210 1 370 . 1 1 88 88 GLU CA C 13 56.31 0.224 . 1 . . . . . 88 E CA . 27210 1 371 . 1 1 88 88 GLU CB C 13 26.32 0.224 . 1 . . . . . 88 E CB . 27210 1 372 . 1 1 88 88 GLU N N 15 119.02 0.060 . 1 . . . . . 88 E N . 27210 1 373 . 1 1 89 89 GLU H H 1 8.79 0.023 . 1 . . . . . 89 E HN . 27210 1 374 . 1 1 89 89 GLU CA C 13 56.77 0.224 . 1 . . . . . 89 E CA . 27210 1 375 . 1 1 89 89 GLU CB C 13 26.85 0.224 . 1 . . . . . 89 E CB . 27210 1 376 . 1 1 89 89 GLU N N 15 119.20 0.060 . 1 . . . . . 89 E N . 27210 1 377 . 1 1 92 92 VAL H H 1 7.91 0.023 . 1 . . . . . 92 V HN . 27210 1 378 . 1 1 92 92 VAL HA H 1 3.84 0.023 . 1 . . . . . 92 V HA . 27210 1 379 . 1 1 92 92 VAL CA C 13 56.23 0.224 . 1 . . . . . 92 V CA . 27210 1 380 . 1 1 92 92 VAL CB C 13 29.49 0.224 . 1 . . . . . 92 V CB . 27210 1 381 . 1 1 92 92 VAL N N 15 114.61 0.060 . 1 . . . . . 92 V N . 27210 1 382 . 1 1 93 93 ARG H H 1 7.64 0.023 . 1 . . . . . 93 R HN . 27210 1 383 . 1 1 93 93 ARG HA H 1 3.67 0.023 . 1 . . . . . 93 R HA . 27210 1 384 . 1 1 93 93 ARG CA C 13 55.49 0.224 . 1 . . . . . 93 R CA . 27210 1 385 . 1 1 93 93 ARG CB C 13 27.05 0.224 . 1 . . . . . 93 R CB . 27210 1 386 . 1 1 93 93 ARG N N 15 120.77 0.060 . 1 . . . . . 93 R N . 27210 1 387 . 1 1 94 94 GLY H H 1 7.62 0.023 . 1 . . . . . 94 G HN . 27210 1 388 . 1 1 94 94 GLY HA2 H 1 3.64 0.023 . 1 . . . . . 94 G QA . 27210 1 389 . 1 1 94 94 GLY HA3 H 1 3.64 0.023 . 1 . . . . . 94 G QA . 27210 1 390 . 1 1 94 94 GLY CA C 13 42.38 0.224 . 1 . . . . . 94 G CA . 27210 1 391 . 1 1 94 94 GLY N N 15 106.00 0.060 . 1 . . . . . 94 G N . 27210 1 392 . 1 1 95 95 LEU H H 1 7.34 0.023 . 1 . . . . . 95 L HN . 27210 1 393 . 1 1 95 95 LEU HA H 1 4.20 0.023 . 1 . . . . . 95 L HA . 27210 1 394 . 1 1 95 95 LEU CA C 13 52.29 0.224 . 1 . . . . . 95 L CA . 27210 1 395 . 1 1 95 95 LEU CB C 13 39.91 0.224 . 1 . . . . . 95 L CB . 27210 1 396 . 1 1 95 95 LEU N N 15 120.13 0.060 . 1 . . . . . 95 L N . 27210 1 397 . 1 1 96 96 GLU H H 1 8.24 0.023 . 1 . . . . . 96 E HN . 27210 1 398 . 1 1 96 96 GLU HA H 1 4.13 0.023 . 1 . . . . . 96 E HA . 27210 1 399 . 1 1 96 96 GLU CA C 13 54.08 0.224 . 1 . . . . . 96 E CA . 27210 1 400 . 1 1 96 96 GLU CB C 13 25.26 0.224 . 1 . . . . . 96 E CB . 27210 1 401 . 1 1 96 96 GLU N N 15 119.00 0.060 . 1 . . . . . 96 E N . 27210 1 402 . 1 1 97 97 THR H H 1 8.22 0.023 . 1 . . . . . 97 T HN . 27210 1 403 . 1 1 97 97 THR HA H 1 4.07 0.023 . 1 . . . . . 97 T HA . 27210 1 404 . 1 1 97 97 THR CA C 13 60.22 0.224 . 1 . . . . . 97 T CA . 27210 1 405 . 1 1 97 97 THR CB C 13 67.82 0.224 . 1 . . . . . 97 T CB . 27210 1 406 . 1 1 97 97 THR N N 15 111.34 0.060 . 1 . . . . . 97 T N . 27210 1 407 . 1 1 98 98 GLY H H 1 8.30 0.023 . 1 . . . . . 98 G HN . 27210 1 408 . 1 1 98 98 GLY HA2 H 1 3.64 0.023 . 1 . . . . . 98 G HA2 . 27210 1 409 . 1 1 98 98 GLY HA3 H 1 4.04 0.023 . 1 . . . . . 98 G HA3 . 27210 1 410 . 1 1 98 98 GLY CA C 13 41.90 0.224 . 1 . . . . . 98 G CA . 27210 1 411 . 1 1 98 98 GLY N N 15 107.87 0.060 . 1 . . . . . 98 G N . 27210 1 412 . 1 1 99 99 ALA H H 1 7.62 0.023 . 1 . . . . . 99 A HN . 27210 1 413 . 1 1 99 99 ALA HA H 1 4.00 0.023 . 1 . . . . . 99 A HA . 27210 1 414 . 1 1 99 99 ALA CA C 13 49.40 0.224 . 1 . . . . . 99 A CA . 27210 1 415 . 1 1 99 99 ALA CB C 13 16.28 0.224 . 1 . . . . . 99 A CB . 27210 1 416 . 1 1 99 99 ALA N N 15 121.88 0.060 . 1 . . . . . 99 A N . 27210 1 417 . 1 1 100 100 ASP H H 1 8.93 0.023 . 1 . . . . . 100 D HN . 27210 1 418 . 1 1 100 100 ASP HA H 1 4.39 0.023 . 1 . . . . . 100 D HA . 27210 1 419 . 1 1 100 100 ASP CA C 13 54.11 0.224 . 1 . . . . . 100 D CA . 27210 1 420 . 1 1 100 100 ASP CB C 13 39.47 0.224 . 1 . . . . . 100 D CB . 27210 1 421 . 1 1 100 100 ASP N N 15 120.46 0.060 . 1 . . . . . 100 D N . 27210 1 422 . 1 1 101 101 ASP H H 1 7.56 0.023 . 1 . . . . . 101 D HN . 27210 1 423 . 1 1 101 101 ASP HA H 1 4.49 0.023 . 1 . . . . . 101 D HA . 27210 1 424 . 1 1 101 101 ASP CA C 13 49.96 0.224 . 1 . . . . . 101 D CA . 27210 1 425 . 1 1 101 101 ASP CB C 13 41.16 0.224 . 1 . . . . . 101 D CB . 27210 1 426 . 1 1 101 101 ASP N N 15 113.02 0.060 . 1 . . . . . 101 D N . 27210 1 427 . 1 1 102 102 TYR H H 1 9.21 0.023 . 1 . . . . . 102 Y HN . 27210 1 428 . 1 1 102 102 TYR HA H 1 5.26 0.023 . 1 . . . . . 102 Y HA . 27210 1 429 . 1 1 102 102 TYR CA C 13 53.66 0.224 . 1 . . . . . 102 Y CA . 27210 1 430 . 1 1 102 102 TYR CB C 13 38.42 0.224 . 1 . . . . . 102 Y CB . 27210 1 431 . 1 1 102 102 TYR N N 15 118.64 0.060 . 1 . . . . . 102 Y N . 27210 1 432 . 1 1 103 103 ILE H H 1 8.97 0.023 . 1 . . . . . 103 I HN . 27210 1 433 . 1 1 103 103 ILE HA H 1 4.24 0.023 . 1 . . . . . 103 I HA . 27210 1 434 . 1 1 103 103 ILE CA C 13 57.10 0.224 . 1 . . . . . 103 I CA . 27210 1 435 . 1 1 103 103 ILE CB C 13 38.41 0.224 . 1 . . . . . 103 I CB . 27210 1 436 . 1 1 103 103 ILE N N 15 122.47 0.060 . 1 . . . . . 103 I N . 27210 1 437 . 1 1 104 104 THR H H 1 8.10 0.023 . 1 . . . . . 104 T HN . 27210 1 438 . 1 1 104 104 THR HA H 1 4.96 0.023 . 1 . . . . . 104 T HA . 27210 1 439 . 1 1 104 104 THR CA C 13 57.47 0.224 . 1 . . . . . 104 T CA . 27210 1 440 . 1 1 104 104 THR CB C 13 67.15 0.224 . 1 . . . . . 104 T CB . 27210 1 441 . 1 1 104 104 THR N N 15 118.91 0.060 . 1 . . . . . 104 T N . 27210 1 442 . 1 1 105 105 LYS H H 1 8.56 0.023 . 1 . . . . . 105 K HN . 27210 1 443 . 1 1 105 105 LYS CA C 13 50.48 0.224 . 1 . . . . . 105 K CA . 27210 1 444 . 1 1 105 105 LYS CB C 13 30.35 0.224 . 1 . . . . . 105 K CB . 27210 1 445 . 1 1 105 105 LYS N N 15 121.28 0.060 . 1 . . . . . 105 K N . 27210 1 446 . 1 1 106 106 PRO CA C 13 59.23 0.224 . 1 . . . . . 106 P CA . 27210 1 447 . 1 1 106 106 PRO CB C 13 31.54 0.224 . 1 . . . . . 106 P CB . 27210 1 448 . 1 1 107 107 PHE H H 1 7.55 0.023 . 1 . . . . . 107 F HN . 27210 1 449 . 1 1 107 107 PHE HA H 1 5.19 0.023 . 1 . . . . . 107 F HA . 27210 1 450 . 1 1 107 107 PHE CA C 13 51.23 0.224 . 1 . . . . . 107 F CA . 27210 1 451 . 1 1 107 107 PHE CB C 13 37.88 0.224 . 1 . . . . . 107 F CB . 27210 1 452 . 1 1 107 107 PHE N N 15 116.90 0.060 . 1 . . . . . 107 F N . 27210 1 453 . 1 1 108 108 SER H H 1 8.86 0.023 . 1 . . . . . 108 S HN . 27210 1 454 . 1 1 108 108 SER CA C 13 51.70 0.224 . 1 . . . . . 108 S CA . 27210 1 455 . 1 1 108 108 SER CB C 13 61.12 0.224 . 1 . . . . . 108 S CB . 27210 1 456 . 1 1 108 108 SER N N 15 117.00 0.060 . 1 . . . . . 108 S N . 27210 1 457 . 1 1 110 110 LYS H H 1 7.94 0.023 . 1 . . . . . 110 K HN . 27210 1 458 . 1 1 110 110 LYS CB C 13 27.77 0.224 . 1 . . . . . 110 K CB . 27210 1 459 . 1 1 110 110 LYS N N 15 118.62 0.060 . 1 . . . . . 110 K N . 27210 1 460 . 1 1 111 111 GLU H H 1 7.82 0.023 . 1 . . . . . 111 E HN . 27210 1 461 . 1 1 111 111 GLU HA H 1 4.04 0.023 . 1 . . . . . 111 E HA . 27210 1 462 . 1 1 111 111 GLU CA C 13 55.98 0.224 . 1 . . . . . 111 E CA . 27210 1 463 . 1 1 111 111 GLU CB C 13 26.93 0.224 . 1 . . . . . 111 E CB . 27210 1 464 . 1 1 111 111 GLU N N 15 120.79 0.060 . 1 . . . . . 111 E N . 27210 1 465 . 1 1 112 112 LEU H H 1 7.86 0.023 . 1 . . . . . 112 L HN . 27210 1 466 . 1 1 112 112 LEU HA H 1 3.58 0.023 . 1 . . . . . 112 L HA . 27210 1 467 . 1 1 112 112 LEU CA C 13 54.93 0.224 . 1 . . . . . 112 L CA . 27210 1 468 . 1 1 112 112 LEU CB C 13 38.41 0.224 . 1 . . . . . 112 L CB . 27210 1 469 . 1 1 112 112 LEU N N 15 119.13 0.060 . 1 . . . . . 112 L N . 27210 1 470 . 1 1 113 113 VAL H H 1 7.67 0.023 . 1 . . . . . 113 V HN . 27210 1 471 . 1 1 113 113 VAL HA H 1 4.11 0.023 . 1 . . . . . 113 V HA . 27210 1 472 . 1 1 113 113 VAL CA C 13 64.35 0.224 . 1 . . . . . 113 V CA . 27210 1 473 . 1 1 113 113 VAL CB C 13 28.77 0.224 . 1 . . . . . 113 V CB . 27210 1 474 . 1 1 113 113 VAL N N 15 115.68 0.060 . 1 . . . . . 113 V N . 27210 1 475 . 1 1 114 114 ALA H H 1 7.82 0.023 . 1 . . . . . 114 A HN . 27210 1 476 . 1 1 114 114 ALA CA C 13 52.49 0.224 . 1 . . . . . 114 A CA . 27210 1 477 . 1 1 114 114 ALA CB C 13 15.22 0.224 . 1 . . . . . 114 A CB . 27210 1 478 . 1 1 114 114 ALA N N 15 120.89 0.060 . 1 . . . . . 114 A N . 27210 1 479 . 1 1 115 115 ARG H H 1 8.16 0.023 . 1 . . . . . 115 R HN . 27210 1 480 . 1 1 115 115 ARG HA H 1 3.99 0.023 . 1 . . . . . 115 R HA . 27210 1 481 . 1 1 115 115 ARG CA C 13 54.98 0.224 . 1 . . . . . 115 R CA . 27210 1 482 . 1 1 115 115 ARG CB C 13 26.19 0.224 . 1 . . . . . 115 R CB . 27210 1 483 . 1 1 115 115 ARG N N 15 117.85 0.060 . 1 . . . . . 115 R N . 27210 1 484 . 1 1 116 116 ILE H H 1 7.86 0.023 . 1 . . . . . 116 I HN . 27210 1 485 . 1 1 116 116 ILE HA H 1 4.80 0.023 . 1 . . . . . 116 I HA . 27210 1 486 . 1 1 116 116 ILE CA C 13 62.52 0.224 . 1 . . . . . 116 I CA . 27210 1 487 . 1 1 116 116 ILE CB C 13 34.88 0.224 . 1 . . . . . 116 I CB . 27210 1 488 . 1 1 116 116 ILE N N 15 118.16 0.060 . 1 . . . . . 116 I N . 27210 1 489 . 1 1 117 117 LYS H H 1 8.35 0.023 . 1 . . . . . 117 K HN . 27210 1 490 . 1 1 117 117 LYS HA H 1 3.83 0.023 . 1 . . . . . 117 K HA . 27210 1 491 . 1 1 117 117 LYS CA C 13 57.63 0.224 . 1 . . . . . 117 K CA . 27210 1 492 . 1 1 117 117 LYS CB C 13 29.36 0.224 . 1 . . . . . 117 K CB . 27210 1 493 . 1 1 117 117 LYS N N 15 118.31 0.060 . 1 . . . . . 117 K N . 27210 1 494 . 1 1 118 118 ALA H H 1 7.70 0.023 . 1 . . . . . 118 A HN . 27210 1 495 . 1 1 118 118 ALA HA H 1 4.14 0.023 . 1 . . . . . 118 A HA . 27210 1 496 . 1 1 118 118 ALA CA C 13 52.02 0.224 . 1 . . . . . 118 A CA . 27210 1 497 . 1 1 118 118 ALA CB C 13 15.29 0.224 . 1 . . . . . 118 A CB . 27210 1 498 . 1 1 118 118 ALA N N 15 120.35 0.060 . 1 . . . . . 118 A N . 27210 1 499 . 1 1 119 119 VAL H H 1 7.67 0.023 . 1 . . . . . 119 V HN . 27210 1 500 . 1 1 119 119 VAL HA H 1 3.63 0.023 . 1 . . . . . 119 V HA . 27210 1 501 . 1 1 119 119 VAL CA C 13 62.59 0.224 . 1 . . . . . 119 V CA . 27210 1 502 . 1 1 119 119 VAL CB C 13 28.77 0.224 . 1 . . . . . 119 V CB . 27210 1 503 . 1 1 119 119 VAL N N 15 117.73 0.060 . 1 . . . . . 119 V N . 27210 1 504 . 1 1 120 120 MET H H 1 7.84 0.023 . 1 . . . . . 120 M HN . 27210 1 505 . 1 1 120 120 MET HA H 1 4.05 0.023 . 1 . . . . . 120 M HA . 27210 1 506 . 1 1 120 120 MET CA C 13 54.76 0.224 . 1 . . . . . 120 M CA . 27210 1 507 . 1 1 120 120 MET CB C 13 29.23 0.224 . 1 . . . . . 120 M CB . 27210 1 508 . 1 1 120 120 MET N N 15 116.87 0.060 . 1 . . . . . 120 M N . 27210 1 509 . 1 1 121 121 ARG H H 1 7.82 0.023 . 1 . . . . . 121 R HN . 27210 1 510 . 1 1 121 121 ARG HA H 1 4.05 0.023 . 1 . . . . . 121 R HA . 27210 1 511 . 1 1 121 121 ARG CA C 13 54.93 0.224 . 1 . . . . . 121 R CA . 27210 1 512 . 1 1 121 121 ARG CB C 13 27.15 0.224 . 1 . . . . . 121 R CB . 27210 1 513 . 1 1 121 121 ARG N N 15 118.93 0.060 . 1 . . . . . 121 R N . 27210 1 514 . 1 1 122 122 ARG H H 1 7.67 0.023 . 1 . . . . . 122 R HN . 27210 1 515 . 1 1 122 122 ARG HA H 1 4.11 0.023 . 1 . . . . . 122 R HA . 27210 1 516 . 1 1 122 122 ARG CA C 13 54.82 0.224 . 1 . . . . . 122 R CA . 27210 1 517 . 1 1 122 122 ARG CB C 13 27.51 0.224 . 1 . . . . . 122 R CB . 27210 1 518 . 1 1 122 122 ARG N N 15 118.56 0.060 . 1 . . . . . 122 R N . 27210 1 519 . 1 1 123 123 ILE H H 1 7.67 0.023 . 1 . . . . . 123 I HN . 27210 1 520 . 1 1 123 123 ILE HA H 1 4.11 0.023 . 1 . . . . . 123 I HA . 27210 1 521 . 1 1 123 123 ILE CA C 13 58.53 0.224 . 1 . . . . . 123 I CA . 27210 1 522 . 1 1 123 123 ILE CB C 13 35.63 0.224 . 1 . . . . . 123 I CB . 27210 1 523 . 1 1 123 123 ILE N N 15 117.51 0.060 . 1 . . . . . 123 I N . 27210 1 524 . 1 1 124 124 SER H H 1 7.97 0.023 . 1 . . . . . 124 S HN . 27210 1 525 . 1 1 124 124 SER HA H 1 3.79 0.023 . 1 . . . . . 124 S HA . 27210 1 526 . 1 1 124 124 SER CA C 13 55.56 0.224 . 1 . . . . . 124 S CA . 27210 1 527 . 1 1 124 124 SER CB C 13 61.13 0.224 . 1 . . . . . 124 S CB . 27210 1 528 . 1 1 124 124 SER N N 15 118.30 0.060 . 1 . . . . . 124 S N . 27210 1 529 . 1 1 125 125 GLN H H 1 7.86 0.023 . 1 . . . . . 125 Q HN . 27210 1 530 . 1 1 125 125 GLN CA C 13 54.61 0.224 . 1 . . . . . 125 Q CA . 27210 1 531 . 1 1 125 125 GLN CB C 13 27.31 0.224 . 1 . . . . . 125 Q CB . 27210 1 532 . 1 1 125 125 GLN N N 15 126.93 0.060 . 1 . . . . . 125 Q N . 27210 1 stop_ save_