data_26068 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26068 _Entry.Title ; Structure of DNA-binding HU protein from micoplasma Mycoplasma gallisepticum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-13 _Entry.Accession_date 2016-09-13 _Entry.Last_release_date 2016-11-03 _Entry.Original_release_date 2016-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Dmitry Altukhov . A. . . 26068 2 Anna Talyzina . A. . . 26068 3 Yulia Agapova . K. . . 26068 4 Anna Vlaskina . V. . . 26068 5 Dmitry Korzhenevskiy . A. . . 26068 6 Eduard Bocharov . V. . . 26068 7 Tatiana Rakitina . V. . . 26068 8 Vladimir Timofeev . I. . . 26068 9 Vladimir Popov . O. . . 26068 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26068 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Histone-like protein' . 26068 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26068 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 251 26068 '15N chemical shifts' 94 26068 '1H chemical shifts' 163 26068 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 1 . . 2016-11-03 . original BMRB . 26068 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26068 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of DNA-binding HU protein from micoplasma Mycoplasma gallisepticum ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Dmitry Altukhov . A. . . 26068 1 2 Anna Talyzina . A. . . 26068 1 3 Yulia Agapova . K. . . 26068 1 4 Anna Vlaskina . V. . . 26068 1 5 Dmitry Korzhenevskiy . A. . . 26068 1 6 Eduard Bocharov . V. . . 26068 1 7 Tatiana Rakitina . V. . . 26068 1 8 Vladimir Timofeev . I. . . 26068 1 9 Vladimir Popov . O. . . 26068 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26068 _Assembly.ID 1 _Assembly.Name 'DNA-binding HU protein' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity A . yes native no no . . . 26068 1 2 entity_2 1 $entity B . yes native no no . . . 26068 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26068 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKIKSLSAAEYLKEMADET NIKVQDIRLVVTSLQKVLAK ELATTGEVRLFDIGKFKLVT TKPRTGINPKTKQKIQIPAG KKIKLTVSKILTDAVDSHK ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10983.192 _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 . MET . 26068 1 2 . ALA . 26068 1 3 . LYS . 26068 1 4 . ILE . 26068 1 5 . LYS . 26068 1 6 . SER . 26068 1 7 . LEU . 26068 1 8 . SER . 26068 1 9 . ALA . 26068 1 10 . ALA . 26068 1 11 . GLU . 26068 1 12 . TYR . 26068 1 13 . LEU . 26068 1 14 . LYS . 26068 1 15 . GLU . 26068 1 16 . MET . 26068 1 17 . ALA . 26068 1 18 . ASP . 26068 1 19 . GLU . 26068 1 20 . THR . 26068 1 21 . ASN . 26068 1 22 . ILE . 26068 1 23 . LYS . 26068 1 24 . VAL . 26068 1 25 . GLN . 26068 1 26 . ASP . 26068 1 27 . ILE . 26068 1 28 . ARG . 26068 1 29 . LEU . 26068 1 30 . VAL . 26068 1 31 . VAL . 26068 1 32 . THR . 26068 1 33 . SER . 26068 1 34 . LEU . 26068 1 35 . GLN . 26068 1 36 . LYS . 26068 1 37 . VAL . 26068 1 38 . LEU . 26068 1 39 . ALA . 26068 1 40 . LYS . 26068 1 41 . GLU . 26068 1 42 . LEU . 26068 1 43 . ALA . 26068 1 44 . THR . 26068 1 45 . THR . 26068 1 46 . GLY . 26068 1 47 . GLU . 26068 1 48 . VAL . 26068 1 49 . ARG . 26068 1 50 . LEU . 26068 1 51 . PHE . 26068 1 52 . ASP . 26068 1 53 . ILE . 26068 1 54 . GLY . 26068 1 55 . LYS . 26068 1 56 . PHE . 26068 1 57 . LYS . 26068 1 58 . LEU . 26068 1 59 . VAL . 26068 1 60 . THR . 26068 1 61 . THR . 26068 1 62 . LYS . 26068 1 63 . PRO . 26068 1 64 . ARG . 26068 1 65 . THR . 26068 1 66 . GLY . 26068 1 67 . ILE . 26068 1 68 . ASN . 26068 1 69 . PRO . 26068 1 70 . LYS . 26068 1 71 . THR . 26068 1 72 . LYS . 26068 1 73 . GLN . 26068 1 74 . LYS . 26068 1 75 . ILE . 26068 1 76 . GLN . 26068 1 77 . ILE . 26068 1 78 . PRO . 26068 1 79 . ALA . 26068 1 80 . GLY . 26068 1 81 . LYS . 26068 1 82 . LYS . 26068 1 83 . ILE . 26068 1 84 . LYS . 26068 1 85 . LEU . 26068 1 86 . THR . 26068 1 87 . VAL . 26068 1 88 . SER . 26068 1 89 . LYS . 26068 1 90 . ILE . 26068 1 91 . LEU . 26068 1 92 . THR . 26068 1 93 . ASP . 26068 1 94 . ALA . 26068 1 95 . VAL . 26068 1 96 . ASP . 26068 1 97 . SER . 26068 1 98 . HIS . 26068 1 99 . LYS . 26068 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 26068 1 . ALA 2 2 26068 1 . LYS 3 3 26068 1 . ILE 4 4 26068 1 . LYS 5 5 26068 1 . SER 6 6 26068 1 . LEU 7 7 26068 1 . SER 8 8 26068 1 . ALA 9 9 26068 1 . ALA 10 10 26068 1 . GLU 11 11 26068 1 . TYR 12 12 26068 1 . LEU 13 13 26068 1 . LYS 14 14 26068 1 . GLU 15 15 26068 1 . MET 16 16 26068 1 . ALA 17 17 26068 1 . ASP 18 18 26068 1 . GLU 19 19 26068 1 . THR 20 20 26068 1 . ASN 21 21 26068 1 . ILE 22 22 26068 1 . LYS 23 23 26068 1 . VAL 24 24 26068 1 . GLN 25 25 26068 1 . ASP 26 26 26068 1 . ILE 27 27 26068 1 . ARG 28 28 26068 1 . LEU 29 29 26068 1 . VAL 30 30 26068 1 . VAL 31 31 26068 1 . THR 32 32 26068 1 . SER 33 33 26068 1 . LEU 34 34 26068 1 . GLN 35 35 26068 1 . LYS 36 36 26068 1 . VAL 37 37 26068 1 . LEU 38 38 26068 1 . ALA 39 39 26068 1 . LYS 40 40 26068 1 . GLU 41 41 26068 1 . LEU 42 42 26068 1 . ALA 43 43 26068 1 . THR 44 44 26068 1 . THR 45 45 26068 1 . GLY 46 46 26068 1 . GLU 47 47 26068 1 . VAL 48 48 26068 1 . ARG 49 49 26068 1 . LEU 50 50 26068 1 . PHE 51 51 26068 1 . ASP 52 52 26068 1 . ILE 53 53 26068 1 . GLY 54 54 26068 1 . LYS 55 55 26068 1 . PHE 56 56 26068 1 . LYS 57 57 26068 1 . LEU 58 58 26068 1 . VAL 59 59 26068 1 . THR 60 60 26068 1 . THR 61 61 26068 1 . LYS 62 62 26068 1 . PRO 63 63 26068 1 . ARG 64 64 26068 1 . THR 65 65 26068 1 . GLY 66 66 26068 1 . ILE 67 67 26068 1 . ASN 68 68 26068 1 . PRO 69 69 26068 1 . LYS 70 70 26068 1 . THR 71 71 26068 1 . LYS 72 72 26068 1 . GLN 73 73 26068 1 . LYS 74 74 26068 1 . ILE 75 75 26068 1 . GLN 76 76 26068 1 . ILE 77 77 26068 1 . PRO 78 78 26068 1 . ALA 79 79 26068 1 . GLY 80 80 26068 1 . LYS 81 81 26068 1 . LYS 82 82 26068 1 . ILE 83 83 26068 1 . LYS 84 84 26068 1 . LEU 85 85 26068 1 . THR 86 86 26068 1 . VAL 87 87 26068 1 . SER 88 88 26068 1 . LYS 89 89 26068 1 . ILE 90 90 26068 1 . LEU 91 91 26068 1 . THR 92 92 26068 1 . ASP 93 93 26068 1 . ALA 94 94 26068 1 . VAL 95 95 26068 1 . ASP 96 96 26068 1 . SER 97 97 26068 1 . HIS 98 98 26068 1 . LYS 99 99 26068 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 26068 _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 . 2096 organism . 'Mycoplasma gallisepticum' 'Mycoplasma gallisepticum' . . Bacteria . Mycoplasma gallisepticum . . . . . . . . . . . . . 26068 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 26068 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pHisTEV . . . 26068 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26068 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 26068 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 26068 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 26068 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . mM . . . . 26068 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 26068 _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' 0.375 . M 26068 1 pH 6.7 . pH 26068 1 pressure 1 . atm 26068 1 temperature 308 . K 26068 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS++ _Software.Sf_category software _Software.Sf_framecode TALOS++ _Software.Entry_ID 26068 _Software.ID 1 _Software.Name TALOS++ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26068 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26068 1 stop_ save_ save_GROMACS _Software.Sf_category software _Software.Sf_framecode GROMACS _Software.Entry_ID 26068 _Software.ID 2 _Software.Name GROMACS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Herman Berendsen's group, department of Biophysical Chemistry of Groningen University" . . 26068 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 26068 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26068 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _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 26068 _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 Agilent 'Uniform NMR System' . 700 . . . 26068 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 26068 _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 . . . . . . . . . . . . . . . . 26068 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26068 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 26068 _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 . . . . . 26068 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26068 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26068 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 26068 _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' . . . 26068 1 2 '2D 1H-13C HSQC' . . . 26068 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.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 C C 13 175.01 0.400 . . . . . A 1 MET C . 26068 1 2 . 1 1 2 2 ALA H H 1 8.25 0.020 . . . . . A 2 ALA H . 26068 1 3 . 1 1 2 2 ALA C C 13 176.53 0.400 . . . . . A 2 ALA C . 26068 1 4 . 1 1 2 2 ALA CA C 13 51.73 0.400 . . . . . A 2 ALA CA . 26068 1 5 . 1 1 2 2 ALA N N 15 125.69 0.400 . . . . . A 2 ALA N . 26068 1 6 . 1 1 3 3 LYS H H 1 8.21 0.020 . . . . . A 3 LYS H . 26068 1 7 . 1 1 3 3 LYS C C 13 175.52 0.400 . . . . . A 3 LYS C . 26068 1 8 . 1 1 3 3 LYS CA C 13 55.23 0.400 . . . . . A 3 LYS CA . 26068 1 9 . 1 1 3 3 LYS N N 15 121.04 0.400 . . . . . A 3 LYS N . 26068 1 10 . 1 1 4 4 ILE H H 1 8.17 0.020 . . . . . A 4 ILE H . 26068 1 11 . 1 1 4 4 ILE HA H 1 4.18 0.020 . . . . . A 4 ILE HA . 26068 1 12 . 1 1 4 4 ILE C C 13 174.95 0.400 . . . . . A 4 ILE C . 26068 1 13 . 1 1 4 4 ILE CA C 13 59.87 0.400 . . . . . A 4 ILE CA . 26068 1 14 . 1 1 4 4 ILE N N 15 122.49 0.400 . . . . . A 4 ILE N . 26068 1 15 . 1 1 5 5 LYS H H 1 8.32 0.020 . . . . . A 5 LYS H . 26068 1 16 . 1 1 5 5 LYS C C 13 174.33 0.400 . . . . . A 5 LYS C . 26068 1 17 . 1 1 5 5 LYS CA C 13 55.06 0.400 . . . . . A 5 LYS CA . 26068 1 18 . 1 1 5 5 LYS N N 15 126.6 0.400 . . . . . A 5 LYS N . 26068 1 19 . 1 1 6 6 SER H H 1 8.2 0.020 . . . . . A 6 SER H . 26068 1 20 . 1 1 6 6 SER C C 13 174.22 0.400 . . . . . A 6 SER C . 26068 1 21 . 1 1 6 6 SER CA C 13 56.3 0.400 . . . . . A 6 SER CA . 26068 1 22 . 1 1 6 6 SER N N 15 118.4 0.400 . . . . . A 6 SER N . 26068 1 23 . 1 1 7 7 LEU H H 1 9.05 0.020 . . . . . A 7 LEU H . 26068 1 24 . 1 1 7 7 LEU C C 13 177.73 0.400 . . . . . A 7 LEU C . 26068 1 25 . 1 1 7 7 LEU CA C 13 54.95 0.400 . . . . . A 7 LEU CA . 26068 1 26 . 1 1 7 7 LEU CB C 13 42 0.400 . . . . . A 7 LEU CB . 26068 1 27 . 1 1 7 7 LEU N N 15 125.4 0.400 . . . . . A 7 LEU N . 26068 1 28 . 1 1 8 8 SER H H 1 9.14 0.020 . . . . . A 8 SER H . 26068 1 29 . 1 1 8 8 SER HA H 1 4.51 0.020 . . . . . A 8 SER HA . 26068 1 30 . 1 1 8 8 SER C C 13 173.81 0.400 . . . . . A 8 SER C . 26068 1 31 . 1 1 8 8 SER CA C 13 56.74 0.400 . . . . . A 8 SER CA . 26068 1 32 . 1 1 8 8 SER CB C 13 64.39 0.400 . . . . . A 8 SER CB . 26068 1 33 . 1 1 8 8 SER N N 15 124.87 0.400 . . . . . A 8 SER N . 26068 1 34 . 1 1 9 9 ALA H H 1 8.71 0.020 . . . . . A 9 ALA H . 26068 1 35 . 1 1 9 9 ALA HA H 1 4.4 0.020 . . . . . A 9 ALA HA . 26068 1 36 . 1 1 9 9 ALA C C 13 178.94 0.400 . . . . . A 9 ALA C . 26068 1 37 . 1 1 9 9 ALA CA C 13 54.94 0.400 . . . . . A 9 ALA CA . 26068 1 38 . 1 1 9 9 ALA N N 15 124.34 0.400 . . . . . A 9 ALA N . 26068 1 39 . 1 1 10 10 ALA H H 1 8.38 0.020 . . . . . A 10 ALA H . 26068 1 40 . 1 1 10 10 ALA C C 13 180.6 0.400 . . . . . A 10 ALA C . 26068 1 41 . 1 1 10 10 ALA CA C 13 54.38 0.400 . . . . . A 10 ALA CA . 26068 1 42 . 1 1 10 10 ALA CB C 13 17.24 0.400 . . . . . A 10 ALA CB . 26068 1 43 . 1 1 10 10 ALA N N 15 117.99 0.400 . . . . . A 10 ALA N . 26068 1 44 . 1 1 11 11 GLU H H 1 7.78 0.020 . . . . . A 11 GLU H . 26068 1 45 . 1 1 11 11 GLU HA H 1 4.04 0.020 . . . . . A 11 GLU HA . 26068 1 46 . 1 1 11 11 GLU C C 13 177.77 0.400 . . . . . A 11 GLU C . 26068 1 47 . 1 1 11 11 GLU CA C 13 58.21 0.400 . . . . . A 11 GLU CA . 26068 1 48 . 1 1 11 11 GLU CB C 13 29.31 0.400 . . . . . A 11 GLU CB . 26068 1 49 . 1 1 11 11 GLU N N 15 118.9 0.400 . . . . . A 11 GLU N . 26068 1 50 . 1 1 12 12 TYR H H 1 8.8 0.020 . . . . . A 12 TYR H . 26068 1 51 . 1 1 12 12 TYR C C 13 179.28 0.400 . . . . . A 12 TYR C . 26068 1 52 . 1 1 12 12 TYR CA C 13 59.69 0.400 . . . . . A 12 TYR CA . 26068 1 53 . 1 1 12 12 TYR CB C 13 37.53 0.400 . . . . . A 12 TYR CB . 26068 1 54 . 1 1 12 12 TYR N N 15 125.59 0.400 . . . . . A 12 TYR N . 26068 1 55 . 1 1 13 13 LEU H H 1 8.77 0.020 . . . . . A 13 LEU H . 26068 1 56 . 1 1 13 13 LEU HA H 1 4.13 0.020 . . . . . A 13 LEU HA . 26068 1 57 . 1 1 13 13 LEU C C 13 177.79 0.400 . . . . . A 13 LEU C . 26068 1 58 . 1 1 13 13 LEU CA C 13 58.18 0.400 . . . . . A 13 LEU CA . 26068 1 59 . 1 1 13 13 LEU CB C 13 41.29 0.400 . . . . . A 13 LEU CB . 26068 1 60 . 1 1 13 13 LEU N N 15 118.24 0.400 . . . . . A 13 LEU N . 26068 1 61 . 1 1 14 14 LYS H H 1 7.79 0.020 . . . . . A 14 LYS H . 26068 1 62 . 1 1 14 14 LYS HA H 1 3.98 0.020 . . . . . A 14 LYS HA . 26068 1 63 . 1 1 14 14 LYS C C 13 177.09 0.400 . . . . . A 14 LYS C . 26068 1 64 . 1 1 14 14 LYS CA C 13 58.61 0.400 . . . . . A 14 LYS CA . 26068 1 65 . 1 1 14 14 LYS CB C 13 31.22 0.400 . . . . . A 14 LYS CB . 26068 1 66 . 1 1 14 14 LYS N N 15 118.87 0.400 . . . . . A 14 LYS N . 26068 1 67 . 1 1 15 15 GLU H H 1 8.33 0.020 . . . . . A 15 GLU H . 26068 1 68 . 1 1 15 15 GLU HA H 1 4.05 0.020 . . . . . A 15 GLU HA . 26068 1 69 . 1 1 15 15 GLU C C 13 179.66 0.400 . . . . . A 15 GLU C . 26068 1 70 . 1 1 15 15 GLU CA C 13 59.26 0.400 . . . . . A 15 GLU CA . 26068 1 71 . 1 1 15 15 GLU CB C 13 28.01 0.400 . . . . . A 15 GLU CB . 26068 1 72 . 1 1 15 15 GLU N N 15 119.56 0.400 . . . . . A 15 GLU N . 26068 1 73 . 1 1 16 16 MET H H 1 7.94 0.020 . . . . . A 16 MET H . 26068 1 74 . 1 1 16 16 MET HA H 1 4.42 0.020 . . . . . A 16 MET HA . 26068 1 75 . 1 1 16 16 MET C C 13 178.96 0.400 . . . . . A 16 MET C . 26068 1 76 . 1 1 16 16 MET CA C 13 58.2 0.400 . . . . . A 16 MET CA . 26068 1 77 . 1 1 16 16 MET CB C 13 34.37 0.400 . . . . . A 16 MET CB . 26068 1 78 . 1 1 16 16 MET N N 15 116.76 0.400 . . . . . A 16 MET N . 26068 1 79 . 1 1 17 17 ALA H H 1 8.82 0.020 . . . . . A 17 ALA H . 26068 1 80 . 1 1 17 17 ALA HA H 1 4.21 0.020 . . . . . A 17 ALA HA . 26068 1 81 . 1 1 17 17 ALA C C 13 179.62 0.400 . . . . . A 17 ALA C . 26068 1 82 . 1 1 17 17 ALA CA C 13 54.76 0.400 . . . . . A 17 ALA CA . 26068 1 83 . 1 1 17 17 ALA CB C 13 17.75 0.400 . . . . . A 17 ALA CB . 26068 1 84 . 1 1 17 17 ALA N N 15 128 0.400 . . . . . A 17 ALA N . 26068 1 85 . 1 1 18 18 ASP H H 1 8.77 0.020 . . . . . A 18 ASP H . 26068 1 86 . 1 1 18 18 ASP HA H 1 4.42 0.020 . . . . . A 18 ASP HA . 26068 1 87 . 1 1 18 18 ASP C C 13 177.75 0.400 . . . . . A 18 ASP C . 26068 1 88 . 1 1 18 18 ASP CA C 13 55.79 0.400 . . . . . A 18 ASP CA . 26068 1 89 . 1 1 18 18 ASP CB C 13 38.98 0.400 . . . . . A 18 ASP CB . 26068 1 90 . 1 1 18 18 ASP N N 15 119.66 0.400 . . . . . A 18 ASP N . 26068 1 91 . 1 1 19 19 GLU H H 1 7.62 0.020 . . . . . A 19 GLU H . 26068 1 92 . 1 1 19 19 GLU HA H 1 4.19 0.020 . . . . . A 19 GLU HA . 26068 1 93 . 1 1 19 19 GLU C C 13 177.54 0.400 . . . . . A 19 GLU C . 26068 1 94 . 1 1 19 19 GLU CA C 13 57.75 0.400 . . . . . A 19 GLU CA . 26068 1 95 . 1 1 19 19 GLU CB C 13 29.36 0.400 . . . . . A 19 GLU CB . 26068 1 96 . 1 1 19 19 GLU N N 15 117.15 0.400 . . . . . A 19 GLU N . 26068 1 97 . 1 1 20 20 THR H H 1 7.9 0.020 . . . . . A 20 THR H . 26068 1 98 . 1 1 20 20 THR HA H 1 4.12 0.020 . . . . . A 20 THR HA . 26068 1 99 . 1 1 20 20 THR C C 13 174.8 0.400 . . . . . A 20 THR C . 26068 1 100 . 1 1 20 20 THR CA C 13 62.2 0.400 . . . . . A 20 THR CA . 26068 1 101 . 1 1 20 20 THR CB C 13 70.87 0.400 . . . . . A 20 THR CB . 26068 1 102 . 1 1 20 20 THR N N 15 105.73 0.400 . . . . . A 20 THR N . 26068 1 103 . 1 1 21 21 ASN H H 1 8.46 0.020 . . . . . A 21 ASN H . 26068 1 104 . 1 1 21 21 ASN HA H 1 4.39 0.020 . . . . . A 21 ASN HA . 26068 1 105 . 1 1 21 21 ASN HD21 H 1 7.46 0.020 . . . . . A 21 ASN HD21 . 26068 1 106 . 1 1 21 21 ASN HD22 H 1 6.78 0.020 . . . . . A 21 ASN HD22 . 26068 1 107 . 1 1 21 21 ASN C C 13 173.06 0.400 . . . . . A 21 ASN C . 26068 1 108 . 1 1 21 21 ASN CA C 13 54.21 0.400 . . . . . A 21 ASN CA . 26068 1 109 . 1 1 21 21 ASN CB C 13 36.87 0.400 . . . . . A 21 ASN CB . 26068 1 110 . 1 1 21 21 ASN N N 15 116.95 0.400 . . . . . A 21 ASN N . 26068 1 111 . 1 1 21 21 ASN ND2 N 15 112.2 0.400 . . . . . A 21 ASN ND2 . 26068 1 112 . 1 1 22 22 ILE H H 1 7.68 0.020 . . . . . A 22 ILE H . 26068 1 113 . 1 1 22 22 ILE HA H 1 4.14 0.020 . . . . . A 22 ILE HA . 26068 1 114 . 1 1 22 22 ILE C C 13 174.78 0.400 . . . . . A 22 ILE C . 26068 1 115 . 1 1 22 22 ILE CA C 13 59.1 0.400 . . . . . A 22 ILE CA . 26068 1 116 . 1 1 22 22 ILE CB C 13 37.06 0.400 . . . . . A 22 ILE CB . 26068 1 117 . 1 1 22 22 ILE N N 15 121.83 0.400 . . . . . A 22 ILE N . 26068 1 118 . 1 1 23 23 LYS H H 1 8.51 0.020 . . . . . A 23 LYS H . 26068 1 119 . 1 1 23 23 LYS HA H 1 4.14 0.020 . . . . . A 23 LYS HA . 26068 1 120 . 1 1 23 23 LYS C C 13 178.55 0.400 . . . . . A 23 LYS C . 26068 1 121 . 1 1 23 23 LYS CA C 13 55.94 0.400 . . . . . A 23 LYS CA . 26068 1 122 . 1 1 23 23 LYS CB C 13 31.67 0.400 . . . . . A 23 LYS CB . 26068 1 123 . 1 1 23 23 LYS N N 15 124.75 0.400 . . . . . A 23 LYS N . 26068 1 124 . 1 1 24 24 VAL H H 1 8.8 0.020 . . . . . A 24 VAL H . 26068 1 125 . 1 1 24 24 VAL C C 13 176.35 0.400 . . . . . A 24 VAL C . 26068 1 126 . 1 1 24 24 VAL CA C 13 66.09 0.400 . . . . . A 24 VAL CA . 26068 1 127 . 1 1 24 24 VAL CB C 13 30.64 0.400 . . . . . A 24 VAL CB . 26068 1 128 . 1 1 24 24 VAL N N 15 122.57 0.400 . . . . . A 24 VAL N . 26068 1 129 . 1 1 25 25 GLN H H 1 8.95 0.020 . . . . . A 25 GLN H . 26068 1 130 . 1 1 25 25 GLN C C 13 177.42 0.400 . . . . . A 25 GLN C . 26068 1 131 . 1 1 25 25 GLN CA C 13 58.5 0.400 . . . . . A 25 GLN CA . 26068 1 132 . 1 1 25 25 GLN CB C 13 26.8 0.400 . . . . . A 25 GLN CB . 26068 1 133 . 1 1 25 25 GLN N N 15 117.73 0.400 . . . . . A 25 GLN N . 26068 1 134 . 1 1 26 26 ASP H H 1 7.1 0.020 . . . . . A 26 ASP H . 26068 1 135 . 1 1 26 26 ASP HA H 1 4.61 0.020 . . . . . A 26 ASP HA . 26068 1 136 . 1 1 26 26 ASP C C 13 177.32 0.400 . . . . . A 26 ASP C . 26068 1 137 . 1 1 26 26 ASP CA C 13 55.98 0.400 . . . . . A 26 ASP CA . 26068 1 138 . 1 1 26 26 ASP CB C 13 39.24 0.400 . . . . . A 26 ASP CB . 26068 1 139 . 1 1 26 26 ASP N N 15 120.36 0.400 . . . . . A 26 ASP N . 26068 1 140 . 1 1 27 27 ILE H H 1 7.95 0.020 . . . . . A 27 ILE H . 26068 1 141 . 1 1 27 27 ILE C C 13 177.47 0.400 . . . . . A 27 ILE C . 26068 1 142 . 1 1 27 27 ILE CA C 13 65.11 0.400 . . . . . A 27 ILE CA . 26068 1 143 . 1 1 27 27 ILE CB C 13 35.84 0.400 . . . . . A 27 ILE CB . 26068 1 144 . 1 1 27 27 ILE N N 15 120.73 0.400 . . . . . A 27 ILE N . 26068 1 145 . 1 1 28 28 ARG H H 1 8.64 0.020 . . . . . A 28 ARG H . 26068 1 146 . 1 1 28 28 ARG C C 13 178.15 0.400 . . . . . A 28 ARG C . 26068 1 147 . 1 1 28 28 ARG CA C 13 59.04 0.400 . . . . . A 28 ARG CA . 26068 1 148 . 1 1 28 28 ARG CB C 13 28.91 0.400 . . . . . A 28 ARG CB . 26068 1 149 . 1 1 28 28 ARG N N 15 118.34 0.400 . . . . . A 28 ARG N . 26068 1 150 . 1 1 29 29 LEU H H 1 7.34 0.020 . . . . . A 29 LEU H . 26068 1 151 . 1 1 29 29 LEU HA H 1 4.05 0.020 . . . . . A 29 LEU HA . 26068 1 152 . 1 1 29 29 LEU C C 13 178.97 0.400 . . . . . A 29 LEU C . 26068 1 153 . 1 1 29 29 LEU CA C 13 57.15 0.400 . . . . . A 29 LEU CA . 26068 1 154 . 1 1 29 29 LEU CB C 13 40.84 0.400 . . . . . A 29 LEU CB . 26068 1 155 . 1 1 29 29 LEU N N 15 119.8 0.400 . . . . . A 29 LEU N . 26068 1 156 . 1 1 30 30 VAL H H 1 7.93 0.020 . . . . . A 30 VAL H . 26068 1 157 . 1 1 30 30 VAL HA H 1 3.41 0.020 . . . . . A 30 VAL HA . 26068 1 158 . 1 1 30 30 VAL C C 13 176.58 0.400 . . . . . A 30 VAL C . 26068 1 159 . 1 1 30 30 VAL CA C 13 66.49 0.400 . . . . . A 30 VAL CA . 26068 1 160 . 1 1 30 30 VAL CB C 13 30.39 0.400 . . . . . A 30 VAL CB . 26068 1 161 . 1 1 30 30 VAL N N 15 120.2 0.400 . . . . . A 30 VAL N . 26068 1 162 . 1 1 31 31 VAL H H 1 8.52 0.020 . . . . . A 31 VAL H . 26068 1 163 . 1 1 31 31 VAL HA H 1 3.21 0.020 . . . . . A 31 VAL HA . 26068 1 164 . 1 1 31 31 VAL C C 13 177.75 0.400 . . . . . A 31 VAL C . 26068 1 165 . 1 1 31 31 VAL CA C 13 66.04 0.400 . . . . . A 31 VAL CA . 26068 1 166 . 1 1 31 31 VAL CB C 13 29.87 0.400 . . . . . A 31 VAL CB . 26068 1 167 . 1 1 31 31 VAL N N 15 119.11 0.400 . . . . . A 31 VAL N . 26068 1 168 . 1 1 32 32 THR H H 1 8.22 0.020 . . . . . A 32 THR H . 26068 1 169 . 1 1 32 32 THR C C 13 175.68 0.400 . . . . . A 32 THR C . 26068 1 170 . 1 1 32 32 THR CA C 13 66.44 0.400 . . . . . A 32 THR CA . 26068 1 171 . 1 1 32 32 THR CB C 13 67.47 0.400 . . . . . A 32 THR CB . 26068 1 172 . 1 1 32 32 THR N N 15 118.4 0.400 . . . . . A 32 THR N . 26068 1 173 . 1 1 33 33 SER H H 1 7.82 0.020 . . . . . A 33 SER H . 26068 1 174 . 1 1 33 33 SER HA H 1 4.33 0.020 . . . . . A 33 SER HA . 26068 1 175 . 1 1 33 33 SER C C 13 175.56 0.400 . . . . . A 33 SER C . 26068 1 176 . 1 1 33 33 SER CA C 13 60.86 0.400 . . . . . A 33 SER CA . 26068 1 177 . 1 1 33 33 SER CB C 13 62.72 0.400 . . . . . A 33 SER CB . 26068 1 178 . 1 1 33 33 SER N N 15 118.47 0.400 . . . . . A 33 SER N . 26068 1 179 . 1 1 34 34 LEU H H 1 8.94 0.020 . . . . . A 34 LEU H . 26068 1 180 . 1 1 34 34 LEU C C 13 180.12 0.400 . . . . . A 34 LEU C . 26068 1 181 . 1 1 34 34 LEU CA C 13 58.68 0.400 . . . . . A 34 LEU CA . 26068 1 182 . 1 1 34 34 LEU CB C 13 41.87 0.400 . . . . . A 34 LEU CB . 26068 1 183 . 1 1 34 34 LEU N N 15 120.79 0.400 . . . . . A 34 LEU N . 26068 1 184 . 1 1 35 35 GLN H H 1 7.67 0.020 . . . . . A 35 GLN H . 26068 1 185 . 1 1 35 35 GLN HA H 1 3.8 0.020 . . . . . A 35 GLN HA . 26068 1 186 . 1 1 35 35 GLN HE21 H 1 7.2 0.020 . . . . . A 35 GLN HE21 . 26068 1 187 . 1 1 35 35 GLN HE22 H 1 6.54 0.020 . . . . . A 35 GLN HE22 . 26068 1 188 . 1 1 35 35 GLN C C 13 176.16 0.400 . . . . . A 35 GLN C . 26068 1 189 . 1 1 35 35 GLN CA C 13 58.91 0.400 . . . . . A 35 GLN CA . 26068 1 190 . 1 1 35 35 GLN CB C 13 29.04 0.400 . . . . . A 35 GLN CB . 26068 1 191 . 1 1 35 35 GLN N N 15 117.68 0.400 . . . . . A 35 GLN N . 26068 1 192 . 1 1 35 35 GLN NE2 N 15 107.5 0.400 . . . . . A 35 GLN NE2 . 26068 1 193 . 1 1 36 36 LYS H H 1 8.1 0.020 . . . . . A 36 LYS H . 26068 1 194 . 1 1 36 36 LYS HA H 1 4 0.020 . . . . . A 36 LYS HA . 26068 1 195 . 1 1 36 36 LYS C C 13 178.72 0.400 . . . . . A 36 LYS C . 26068 1 196 . 1 1 36 36 LYS CA C 13 59.1 0.400 . . . . . A 36 LYS CA . 26068 1 197 . 1 1 36 36 LYS CB C 13 31.48 0.400 . . . . . A 36 LYS CB . 26068 1 198 . 1 1 36 36 LYS N N 15 124.07 0.400 . . . . . A 36 LYS N . 26068 1 199 . 1 1 37 37 VAL H H 1 8.56 0.020 . . . . . A 37 VAL H . 26068 1 200 . 1 1 37 37 VAL HA H 1 3.42 0.020 . . . . . A 37 VAL HA . 26068 1 201 . 1 1 37 37 VAL C C 13 176.25 0.400 . . . . . A 37 VAL C . 26068 1 202 . 1 1 37 37 VAL CA C 13 65.61 0.400 . . . . . A 37 VAL CA . 26068 1 203 . 1 1 37 37 VAL N N 15 120.47 0.400 . . . . . A 37 VAL N . 26068 1 204 . 1 1 38 38 LEU H H 1 7.12 0.020 . . . . . A 38 LEU H . 26068 1 205 . 1 1 38 38 LEU C C 13 176.92 0.400 . . . . . A 38 LEU C . 26068 1 206 . 1 1 38 38 LEU CA C 13 57.72 0.400 . . . . . A 38 LEU CA . 26068 1 207 . 1 1 38 38 LEU CB C 13 41.04 0.400 . . . . . A 38 LEU CB . 26068 1 208 . 1 1 38 38 LEU N N 15 119.99 0.400 . . . . . A 38 LEU N . 26068 1 209 . 1 1 39 39 ALA H H 1 7.54 0.020 . . . . . A 39 ALA H . 26068 1 210 . 1 1 39 39 ALA HA H 1 3.78 0.020 . . . . . A 39 ALA HA . 26068 1 211 . 1 1 39 39 ALA C C 13 177.77 0.400 . . . . . A 39 ALA C . 26068 1 212 . 1 1 39 39 ALA CA C 13 53.91 0.400 . . . . . A 39 ALA CA . 26068 1 213 . 1 1 39 39 ALA CB C 13 17.37 0.400 . . . . . A 39 ALA CB . 26068 1 214 . 1 1 39 39 ALA N N 15 117.87 0.400 . . . . . A 39 ALA N . 26068 1 215 . 1 1 40 40 LYS H H 1 7.76 0.020 . . . . . A 40 LYS H . 26068 1 216 . 1 1 40 40 LYS HA H 1 3.22 0.020 . . . . . A 40 LYS HA . 26068 1 217 . 1 1 40 40 LYS C C 13 179.39 0.400 . . . . . A 40 LYS C . 26068 1 218 . 1 1 40 40 LYS CA C 13 58.17 0.400 . . . . . A 40 LYS CA . 26068 1 219 . 1 1 40 40 LYS CB C 13 29.75 0.400 . . . . . A 40 LYS CB . 26068 1 220 . 1 1 40 40 LYS N N 15 117.34 0.400 . . . . . A 40 LYS N . 26068 1 221 . 1 1 41 41 GLU H H 1 8.81 0.020 . . . . . A 41 GLU H . 26068 1 222 . 1 1 41 41 GLU HA H 1 3.9 0.020 . . . . . A 41 GLU HA . 26068 1 223 . 1 1 41 41 GLU C C 13 179.39 0.400 . . . . . A 41 GLU C . 26068 1 224 . 1 1 41 41 GLU CA C 13 57.85 0.400 . . . . . A 41 GLU CA . 26068 1 225 . 1 1 41 41 GLU CB C 13 28.72 0.400 . . . . . A 41 GLU CB . 26068 1 226 . 1 1 41 41 GLU N N 15 119.51 0.400 . . . . . A 41 GLU N . 26068 1 227 . 1 1 42 42 LEU H H 1 8.2 0.020 . . . . . A 42 LEU H . 26068 1 228 . 1 1 42 42 LEU HA H 1 3.67 0.020 . . . . . A 42 LEU HA . 26068 1 229 . 1 1 42 42 LEU C C 13 176.37 0.400 . . . . . A 42 LEU C . 26068 1 230 . 1 1 42 42 LEU CA C 13 57.65 0.400 . . . . . A 42 LEU CA . 26068 1 231 . 1 1 42 42 LEU CB C 13 41.04 0.400 . . . . . A 42 LEU CB . 26068 1 232 . 1 1 42 42 LEU N N 15 120.43 0.400 . . . . . A 42 LEU N . 26068 1 233 . 1 1 43 43 ALA H H 1 7.85 0.020 . . . . . A 43 ALA H . 26068 1 234 . 1 1 43 43 ALA HA H 1 4.03 0.020 . . . . . A 43 ALA HA . 26068 1 235 . 1 1 43 43 ALA C C 13 177.51 0.400 . . . . . A 43 ALA C . 26068 1 236 . 1 1 43 43 ALA CA C 13 53.13 0.400 . . . . . A 43 ALA CA . 26068 1 237 . 1 1 43 43 ALA CB C 13 19.23 0.400 . . . . . A 43 ALA CB . 26068 1 238 . 1 1 43 43 ALA N N 15 117 0.400 . . . . . A 43 ALA N . 26068 1 239 . 1 1 44 44 THR H H 1 7.57 0.020 . . . . . A 44 THR H . 26068 1 240 . 1 1 44 44 THR HA H 1 4.37 0.020 . . . . . A 44 THR HA . 26068 1 241 . 1 1 44 44 THR C C 13 174.16 0.400 . . . . . A 44 THR C . 26068 1 242 . 1 1 44 44 THR CA C 13 61.03 0.400 . . . . . A 44 THR CA . 26068 1 243 . 1 1 44 44 THR CB C 13 69.2 0.400 . . . . . A 44 THR CB . 26068 1 244 . 1 1 44 44 THR N N 15 107.52 0.400 . . . . . A 44 THR N . 26068 1 245 . 1 1 45 45 THR H H 1 8.69 0.020 . . . . . A 45 THR H . 26068 1 246 . 1 1 45 45 THR HA H 1 4.17 0.020 . . . . . A 45 THR HA . 26068 1 247 . 1 1 45 45 THR C C 13 175.16 0.400 . . . . . A 45 THR C . 26068 1 248 . 1 1 45 45 THR CA C 13 63.16 0.400 . . . . . A 45 THR CA . 26068 1 249 . 1 1 45 45 THR CB C 13 68.75 0.400 . . . . . A 45 THR CB . 26068 1 250 . 1 1 45 45 THR N N 15 120.02 0.400 . . . . . A 45 THR N . 26068 1 251 . 1 1 46 46 GLY H H 1 8.3 0.020 . . . . . A 46 GLY H . 26068 1 252 . 1 1 46 46 GLY HA2 H 1 4.14 0.020 . . . . . A 46 GLY HA2 . 26068 1 253 . 1 1 46 46 GLY HA3 H 1 4.45 0.020 . . . . . A 46 GLY HA3 . 26068 1 254 . 1 1 46 46 GLY C C 13 171.89 0.400 . . . . . A 46 GLY C . 26068 1 255 . 1 1 46 46 GLY CA C 13 44.6 0.400 . . . . . A 46 GLY CA . 26068 1 256 . 1 1 46 46 GLY N N 15 108.11 0.400 . . . . . A 46 GLY N . 26068 1 257 . 1 1 47 47 GLU H H 1 7.21 0.020 . . . . . A 47 GLU H . 26068 1 258 . 1 1 47 47 GLU HA H 1 5.33 0.020 . . . . . A 47 GLU HA . 26068 1 259 . 1 1 47 47 GLU C C 13 173.28 0.400 . . . . . A 47 GLU C . 26068 1 260 . 1 1 47 47 GLU CA C 13 54.06 0.400 . . . . . A 47 GLU CA . 26068 1 261 . 1 1 47 47 GLU CB C 13 32.28 0.400 . . . . . A 47 GLU CB . 26068 1 262 . 1 1 47 47 GLU N N 15 115.32 0.400 . . . . . A 47 GLU N . 26068 1 263 . 1 1 48 48 VAL H H 1 8.81 0.020 . . . . . A 48 VAL H . 26068 1 264 . 1 1 48 48 VAL HA H 1 4.45 0.020 . . . . . A 48 VAL HA . 26068 1 265 . 1 1 48 48 VAL C C 13 171.5 0.400 . . . . . A 48 VAL C . 26068 1 266 . 1 1 48 48 VAL CA C 13 60.08 0.400 . . . . . A 48 VAL CA . 26068 1 267 . 1 1 48 48 VAL CB C 13 32.51 0.400 . . . . . A 48 VAL CB . 26068 1 268 . 1 1 48 48 VAL N N 15 118.46 0.400 . . . . . A 48 VAL N . 26068 1 269 . 1 1 49 49 ARG H H 1 9.51 0.020 . . . . . A 49 ARG H . 26068 1 270 . 1 1 49 49 ARG HA H 1 4.7 0.020 . . . . . A 49 ARG HA . 26068 1 271 . 1 1 49 49 ARG C C 13 173.52 0.400 . . . . . A 49 ARG C . 26068 1 272 . 1 1 49 49 ARG CA C 13 54.96 0.400 . . . . . A 49 ARG CA . 26068 1 273 . 1 1 49 49 ARG CB C 13 29.17 0.400 . . . . . A 49 ARG CB . 26068 1 274 . 1 1 49 49 ARG N N 15 129.96 0.400 . . . . . A 49 ARG N . 26068 1 275 . 1 1 50 50 LEU H H 1 8.96 0.020 . . . . . A 50 LEU H . 26068 1 276 . 1 1 50 50 LEU HA H 1 4.44 0.020 . . . . . A 50 LEU HA . 26068 1 277 . 1 1 50 50 LEU C C 13 171.89 0.400 . . . . . A 50 LEU C . 26068 1 278 . 1 1 50 50 LEU CA C 13 51.1 0.400 . . . . . A 50 LEU CA . 26068 1 279 . 1 1 50 50 LEU CB C 13 41.74 0.400 . . . . . A 50 LEU CB . 26068 1 280 . 1 1 50 50 LEU N N 15 129.55 0.400 . . . . . A 50 LEU N . 26068 1 281 . 1 1 51 51 PHE H H 1 7.96 0.020 . . . . . A 51 PHE H . 26068 1 282 . 1 1 51 51 PHE HA H 1 3.75 0.020 . . . . . A 51 PHE HA . 26068 1 283 . 1 1 51 51 PHE C C 13 173.52 0.400 . . . . . A 51 PHE C . 26068 1 284 . 1 1 51 51 PHE CA C 13 59.75 0.400 . . . . . A 51 PHE CA . 26068 1 285 . 1 1 51 51 PHE CB C 13 36.61 0.400 . . . . . A 51 PHE CB . 26068 1 286 . 1 1 51 51 PHE N N 15 122.72 0.400 . . . . . A 51 PHE N . 26068 1 287 . 1 1 52 52 ASP H H 1 8.69 0.020 . . . . . A 52 ASP H . 26068 1 288 . 1 1 52 52 ASP HA H 1 5.07 0.020 . . . . . A 52 ASP HA . 26068 1 289 . 1 1 52 52 ASP C C 13 175.16 0.400 . . . . . A 52 ASP C . 26068 1 290 . 1 1 52 52 ASP CA C 13 53.38 0.400 . . . . . A 52 ASP CA . 26068 1 291 . 1 1 52 52 ASP CB C 13 39.95 0.400 . . . . . A 52 ASP CB . 26068 1 292 . 1 1 52 52 ASP N N 15 122.67 0.400 . . . . . A 52 ASP N . 26068 1 293 . 1 1 53 53 ILE H H 1 8.71 0.020 . . . . . A 53 ILE H . 26068 1 294 . 1 1 53 53 ILE HA H 1 3.98 0.020 . . . . . A 53 ILE HA . 26068 1 295 . 1 1 53 53 ILE C C 13 174.95 0.400 . . . . . A 53 ILE C . 26068 1 296 . 1 1 53 53 ILE CA C 13 63.53 0.400 . . . . . A 53 ILE CA . 26068 1 297 . 1 1 53 53 ILE CB C 13 37 0.400 . . . . . A 53 ILE CB . 26068 1 298 . 1 1 53 53 ILE N N 15 121.19 0.400 . . . . . A 53 ILE N . 26068 1 299 . 1 1 54 54 GLY H H 1 6.69 0.020 . . . . . A 54 GLY H . 26068 1 300 . 1 1 54 54 GLY HA2 H 1 4.63 0.020 . . . . . A 54 GLY HA2 . 26068 1 301 . 1 1 54 54 GLY HA3 H 1 4.73 0.020 . . . . . A 54 GLY HA3 . 26068 1 302 . 1 1 54 54 GLY C C 13 169.84 0.400 . . . . . A 54 GLY C . 26068 1 303 . 1 1 54 54 GLY CA C 13 43.74 0.400 . . . . . A 54 GLY CA . 26068 1 304 . 1 1 54 54 GLY N N 15 101.4 0.400 . . . . . A 54 GLY N . 26068 1 305 . 1 1 55 55 LYS H H 1 8.11 0.020 . . . . . A 55 LYS H . 26068 1 306 . 1 1 55 55 LYS HA H 1 4.93 0.020 . . . . . A 55 LYS HA . 26068 1 307 . 1 1 55 55 LYS C C 13 174.34 0.400 . . . . . A 55 LYS C . 26068 1 308 . 1 1 55 55 LYS CA C 13 54.19 0.400 . . . . . A 55 LYS CA . 26068 1 309 . 1 1 55 55 LYS CB C 13 33.66 0.400 . . . . . A 55 LYS CB . 26068 1 310 . 1 1 55 55 LYS N N 15 119.44 0.400 . . . . . A 55 LYS N . 26068 1 311 . 1 1 56 56 PHE H H 1 9.42 0.020 . . . . . A 56 PHE H . 26068 1 312 . 1 1 56 56 PHE HA H 1 5.17 0.020 . . . . . A 56 PHE HA . 26068 1 313 . 1 1 56 56 PHE C C 13 174.04 0.400 . . . . . A 56 PHE C . 26068 1 314 . 1 1 56 56 PHE CA C 13 56.14 0.400 . . . . . A 56 PHE CA . 26068 1 315 . 1 1 56 56 PHE CB C 13 41.1 0.400 . . . . . A 56 PHE CB . 26068 1 316 . 1 1 56 56 PHE N N 15 128.54 0.400 . . . . . A 56 PHE N . 26068 1 317 . 1 1 57 57 LYS H H 1 9.06 0.020 . . . . . A 57 LYS H . 26068 1 318 . 1 1 57 57 LYS HA H 1 5.03 0.020 . . . . . A 57 LYS HA . 26068 1 319 . 1 1 57 57 LYS C C 13 173.28 0.400 . . . . . A 57 LYS C . 26068 1 320 . 1 1 57 57 LYS CA C 13 54.19 0.400 . . . . . A 57 LYS CA . 26068 1 321 . 1 1 57 57 LYS CB C 13 36.42 0.400 . . . . . A 57 LYS CB . 26068 1 322 . 1 1 57 57 LYS N N 15 120.82 0.400 . . . . . A 57 LYS N . 26068 1 323 . 1 1 58 58 LEU H H 1 8.42 0.020 . . . . . A 58 LEU H . 26068 1 324 . 1 1 58 58 LEU HA H 1 4.95 0.020 . . . . . A 58 LEU HA . 26068 1 325 . 1 1 58 58 LEU C C 13 175.18 0.400 . . . . . A 58 LEU C . 26068 1 326 . 1 1 58 58 LEU CA C 13 52.89 0.400 . . . . . A 58 LEU CA . 26068 1 327 . 1 1 58 58 LEU CB C 13 42.32 0.400 . . . . . A 58 LEU CB . 26068 1 328 . 1 1 58 58 LEU N N 15 125.69 0.400 . . . . . A 58 LEU N . 26068 1 329 . 1 1 59 59 VAL H H 1 9.26 0.020 . . . . . A 59 VAL H . 26068 1 330 . 1 1 59 59 VAL HA H 1 4.54 0.020 . . . . . A 59 VAL HA . 26068 1 331 . 1 1 59 59 VAL C C 13 174.69 0.400 . . . . . A 59 VAL C . 26068 1 332 . 1 1 59 59 VAL CA C 13 59.78 0.400 . . . . . A 59 VAL CA . 26068 1 333 . 1 1 59 59 VAL CB C 13 32.95 0.400 . . . . . A 59 VAL CB . 26068 1 334 . 1 1 59 59 VAL N N 15 125.77 0.400 . . . . . A 59 VAL N . 26068 1 335 . 1 1 60 60 THR H H 1 8.48 0.020 . . . . . A 60 THR H . 26068 1 336 . 1 1 60 60 THR C C 13 174.25 0.400 . . . . . A 60 THR C . 26068 1 337 . 1 1 60 60 THR CA C 13 60.74 0.400 . . . . . A 60 THR CA . 26068 1 338 . 1 1 60 60 THR CB C 13 65.26 0.400 . . . . . A 60 THR CB . 26068 1 339 . 1 1 60 60 THR N N 15 119.18 0.400 . . . . . A 60 THR N . 26068 1 340 . 1 1 61 61 THR H H 1 8.61 0.020 . . . . . A 61 THR H . 26068 1 341 . 1 1 61 61 THR C C 13 173.55 0.400 . . . . . A 61 THR C . 26068 1 342 . 1 1 61 61 THR CA C 13 59.29 0.400 . . . . . A 61 THR CA . 26068 1 343 . 1 1 61 61 THR N N 15 117.84 0.400 . . . . . A 61 THR N . 26068 1 344 . 1 1 62 62 LYS H H 1 8.38 0.020 . . . . . A 62 LYS H . 26068 1 345 . 1 1 62 62 LYS HA H 1 4.48 0.020 . . . . . A 62 LYS HA . 26068 1 346 . 1 1 62 62 LYS CA C 13 53.75 0.400 . . . . . A 62 LYS CA . 26068 1 347 . 1 1 62 62 LYS N N 15 122.61 0.400 . . . . . A 62 LYS N . 26068 1 348 . 1 1 63 63 PRO C C 13 176.78 0.400 . . . . . A 63 PRO C . 26068 1 349 . 1 1 64 64 ARG H H 1 8.13 0.020 . . . . . A 64 ARG H . 26068 1 350 . 1 1 64 64 ARG C C 13 177.07 0.400 . . . . . A 64 ARG C . 26068 1 351 . 1 1 64 64 ARG CA C 13 57.23 0.400 . . . . . A 64 ARG CA . 26068 1 352 . 1 1 64 64 ARG N N 15 116.83 0.400 . . . . . A 64 ARG N . 26068 1 353 . 1 1 65 65 THR H H 1 7.37 0.020 . . . . . A 65 THR H . 26068 1 354 . 1 1 65 65 THR C C 13 173.78 0.400 . . . . . A 65 THR C . 26068 1 355 . 1 1 65 65 THR CA C 13 60.68 0.400 . . . . . A 65 THR CA . 26068 1 356 . 1 1 65 65 THR N N 15 127.24 0.400 . . . . . A 65 THR N . 26068 1 357 . 1 1 66 66 GLY H H 1 8.76 0.020 . . . . . A 66 GLY H . 26068 1 358 . 1 1 66 66 GLY C C 13 171.63 0.400 . . . . . A 66 GLY C . 26068 1 359 . 1 1 66 66 GLY CA C 13 43.61 0.400 . . . . . A 66 GLY CA . 26068 1 360 . 1 1 66 66 GLY N N 15 112.84 0.400 . . . . . A 66 GLY N . 26068 1 361 . 1 1 67 67 ILE H H 1 8.31 0.020 . . . . . A 67 ILE H . 26068 1 362 . 1 1 67 67 ILE C C 13 175.11 0.400 . . . . . A 67 ILE C . 26068 1 363 . 1 1 67 67 ILE CA C 13 58.22 0.400 . . . . . A 67 ILE CA . 26068 1 364 . 1 1 67 67 ILE N N 15 119.56 0.400 . . . . . A 67 ILE N . 26068 1 365 . 1 1 68 68 ASN H H 1 8.75 0.020 . . . . . A 68 ASN H . 26068 1 366 . 1 1 68 68 ASN CA C 13 49.84 0.400 . . . . . A 68 ASN CA . 26068 1 367 . 1 1 68 68 ASN N N 15 127.19 0.400 . . . . . A 68 ASN N . 26068 1 368 . 1 1 70 70 LYS H H 1 8.87 0.020 . . . . . A 70 LYS H . 26068 1 369 . 1 1 70 70 LYS HA H 1 4.53 0.020 . . . . . A 70 LYS HA . 26068 1 370 . 1 1 70 70 LYS CA C 13 57.27 0.400 . . . . . A 70 LYS CA . 26068 1 371 . 1 1 70 70 LYS N N 15 128.54 0.400 . . . . . A 70 LYS N . 26068 1 372 . 1 1 71 71 THR C C 13 174.77 0.400 . . . . . A 71 THR C . 26068 1 373 . 1 1 71 71 THR CA C 13 60.65 0.400 . . . . . A 71 THR CA . 26068 1 374 . 1 1 72 72 LYS H H 1 8.45 0.020 . . . . . A 72 LYS H . 26068 1 375 . 1 1 72 72 LYS C C 13 174.5 0.400 . . . . . A 72 LYS C . 26068 1 376 . 1 1 72 72 LYS CA C 13 56.71 0.400 . . . . . A 72 LYS CA . 26068 1 377 . 1 1 72 72 LYS N N 15 116.54 0.400 . . . . . A 72 LYS N . 26068 1 378 . 1 1 73 73 GLN H H 1 7.6 0.020 . . . . . A 73 GLN H . 26068 1 379 . 1 1 73 73 GLN HA H 1 4.2 0.020 . . . . . A 73 GLN HA . 26068 1 380 . 1 1 73 73 GLN C C 13 174.7 0.400 . . . . . A 73 GLN C . 26068 1 381 . 1 1 73 73 GLN CA C 13 54.25 0.400 . . . . . A 73 GLN CA . 26068 1 382 . 1 1 73 73 GLN N N 15 117.62 0.400 . . . . . A 73 GLN N . 26068 1 383 . 1 1 74 74 LYS H H 1 8.5 0.020 . . . . . A 74 LYS H . 26068 1 384 . 1 1 74 74 LYS C C 13 175.84 0.400 . . . . . A 74 LYS C . 26068 1 385 . 1 1 74 74 LYS CA C 13 55.9 0.400 . . . . . A 74 LYS CA . 26068 1 386 . 1 1 74 74 LYS N N 15 122.53 0.400 . . . . . A 74 LYS N . 26068 1 387 . 1 1 75 75 ILE H H 1 8.48 0.020 . . . . . A 75 ILE H . 26068 1 388 . 1 1 75 75 ILE HA H 1 4.44 0.020 . . . . . A 75 ILE HA . 26068 1 389 . 1 1 75 75 ILE C C 13 174 0.400 . . . . . A 75 ILE C . 26068 1 390 . 1 1 75 75 ILE CA C 13 58.75 0.400 . . . . . A 75 ILE CA . 26068 1 391 . 1 1 75 75 ILE N N 15 121.12 0.400 . . . . . A 75 ILE N . 26068 1 392 . 1 1 76 76 GLN H H 1 8.51 0.020 . . . . . A 76 GLN H . 26068 1 393 . 1 1 76 76 GLN C C 13 174 0.400 . . . . . A 76 GLN C . 26068 1 394 . 1 1 76 76 GLN CA C 13 54.22 0.400 . . . . . A 76 GLN CA . 26068 1 395 . 1 1 76 76 GLN N N 15 123.28 0.400 . . . . . A 76 GLN N . 26068 1 396 . 1 1 77 77 ILE H H 1 8.42 0.020 . . . . . A 77 ILE H . 26068 1 397 . 1 1 77 77 ILE CA C 13 60.71 0.400 . . . . . A 77 ILE CA . 26068 1 398 . 1 1 77 77 ILE N N 15 115.59 0.400 . . . . . A 77 ILE N . 26068 1 399 . 1 1 78 78 PRO C C 13 176.07 0.400 . . . . . A 78 PRO C . 26068 1 400 . 1 1 79 79 ALA H H 1 8.49 0.020 . . . . . A 79 ALA H . 26068 1 401 . 1 1 79 79 ALA HA H 1 3.99 0.020 . . . . . A 79 ALA HA . 26068 1 402 . 1 1 79 79 ALA C C 13 176.74 0.400 . . . . . A 79 ALA C . 26068 1 403 . 1 1 79 79 ALA CA C 13 51.67 0.400 . . . . . A 79 ALA CA . 26068 1 404 . 1 1 79 79 ALA CB C 13 18.71 0.400 . . . . . A 79 ALA CB . 26068 1 405 . 1 1 79 79 ALA N N 15 123.15 0.400 . . . . . A 79 ALA N . 26068 1 406 . 1 1 80 80 GLY H H 1 7.96 0.020 . . . . . A 80 GLY H . 26068 1 407 . 1 1 80 80 GLY C C 13 172.35 0.400 . . . . . A 80 GLY C . 26068 1 408 . 1 1 80 80 GLY CA C 13 43.65 0.400 . . . . . A 80 GLY CA . 26068 1 409 . 1 1 80 80 GLY N N 15 109.54 0.400 . . . . . A 80 GLY N . 26068 1 410 . 1 1 81 81 LYS H H 1 8.33 0.020 . . . . . A 81 LYS H . 26068 1 411 . 1 1 81 81 LYS C C 13 174.92 0.400 . . . . . A 81 LYS C . 26068 1 412 . 1 1 81 81 LYS CA C 13 54.33 0.400 . . . . . A 81 LYS CA . 26068 1 413 . 1 1 81 81 LYS N N 15 120.31 0.400 . . . . . A 81 LYS N . 26068 1 414 . 1 1 82 82 LYS H H 1 8.97 0.020 . . . . . A 82 LYS H . 26068 1 415 . 1 1 82 82 LYS HA H 1 4.67 0.020 . . . . . A 82 LYS HA . 26068 1 416 . 1 1 82 82 LYS C C 13 173.36 0.400 . . . . . A 82 LYS C . 26068 1 417 . 1 1 82 82 LYS CA C 13 53.91 0.400 . . . . . A 82 LYS CA . 26068 1 418 . 1 1 82 82 LYS CB C 13 35.2 0.400 . . . . . A 82 LYS CB . 26068 1 419 . 1 1 82 82 LYS N N 15 121.71 0.400 . . . . . A 82 LYS N . 26068 1 420 . 1 1 83 83 ILE H H 1 8.47 0.020 . . . . . A 83 ILE H . 26068 1 421 . 1 1 83 83 ILE HA H 1 4.7 0.020 . . . . . A 83 ILE HA . 26068 1 422 . 1 1 83 83 ILE C C 13 173.82 0.400 . . . . . A 83 ILE C . 26068 1 423 . 1 1 83 83 ILE CA C 13 60.2 0.400 . . . . . A 83 ILE CA . 26068 1 424 . 1 1 83 83 ILE CB C 13 37.96 0.400 . . . . . A 83 ILE CB . 26068 1 425 . 1 1 83 83 ILE N N 15 123.31 0.400 . . . . . A 83 ILE N . 26068 1 426 . 1 1 84 84 LYS H H 1 9.16 0.020 . . . . . A 84 LYS H . 26068 1 427 . 1 1 84 84 LYS HA H 1 4.7 0.020 . . . . . A 84 LYS HA . 26068 1 428 . 1 1 84 84 LYS C C 13 173.77 0.400 . . . . . A 84 LYS C . 26068 1 429 . 1 1 84 84 LYS CA C 13 53.26 0.400 . . . . . A 84 LYS CA . 26068 1 430 . 1 1 84 84 LYS CB C 13 35.07 0.400 . . . . . A 84 LYS CB . 26068 1 431 . 1 1 84 84 LYS N N 15 127.19 0.400 . . . . . A 84 LYS N . 26068 1 432 . 1 1 85 85 LEU H H 1 8.62 0.020 . . . . . A 85 LEU H . 26068 1 433 . 1 1 85 85 LEU HA H 1 4.69 0.020 . . . . . A 85 LEU HA . 26068 1 434 . 1 1 85 85 LEU C C 13 175.52 0.400 . . . . . A 85 LEU C . 26068 1 435 . 1 1 85 85 LEU CA C 13 52.08 0.400 . . . . . A 85 LEU CA . 26068 1 436 . 1 1 85 85 LEU CB C 13 43.67 0.400 . . . . . A 85 LEU CB . 26068 1 437 . 1 1 85 85 LEU N N 15 125.12 0.400 . . . . . A 85 LEU N . 26068 1 438 . 1 1 86 86 THR H H 1 8.77 0.020 . . . . . A 86 THR H . 26068 1 439 . 1 1 86 86 THR HA H 1 4.55 0.020 . . . . . A 86 THR HA . 26068 1 440 . 1 1 86 86 THR C C 13 174.77 0.400 . . . . . A 86 THR C . 26068 1 441 . 1 1 86 86 THR CA C 13 60.44 0.400 . . . . . A 86 THR CA . 26068 1 442 . 1 1 86 86 THR CB C 13 68.04 0.400 . . . . . A 86 THR CB . 26068 1 443 . 1 1 86 86 THR N N 15 124.61 0.400 . . . . . A 86 THR N . 26068 1 444 . 1 1 87 87 VAL C C 13 174.81 0.400 . . . . . A 87 VAL C . 26068 1 445 . 1 1 87 87 VAL CA C 13 63.17 0.400 . . . . . A 87 VAL CA . 26068 1 446 . 1 1 88 88 SER H H 1 8.33 0.020 . . . . . A 88 SER H . 26068 1 447 . 1 1 88 88 SER HA H 1 4.47 0.020 . . . . . A 88 SER HA . 26068 1 448 . 1 1 88 88 SER CA C 13 56.79 0.400 . . . . . A 88 SER CA . 26068 1 449 . 1 1 88 88 SER N N 15 122.64 0.400 . . . . . A 88 SER N . 26068 1 450 . 1 1 89 89 LYS C C 13 176.56 0.400 . . . . . A 89 LYS C . 26068 1 451 . 1 1 90 90 ILE H H 1 7.93 0.020 . . . . . A 90 ILE H . 26068 1 452 . 1 1 90 90 ILE HA H 1 3.7 0.020 . . . . . A 90 ILE HA . 26068 1 453 . 1 1 90 90 ILE C C 13 178.25 0.400 . . . . . A 90 ILE C . 26068 1 454 . 1 1 90 90 ILE CA C 13 63.2 0.400 . . . . . A 90 ILE CA . 26068 1 455 . 1 1 90 90 ILE CB C 13 36.23 0.400 . . . . . A 90 ILE CB . 26068 1 456 . 1 1 90 90 ILE N N 15 117.64 0.400 . . . . . A 90 ILE N . 26068 1 457 . 1 1 91 91 LEU H H 1 7.38 0.020 . . . . . A 91 LEU H . 26068 1 458 . 1 1 91 91 LEU HA H 1 4.21 0.020 . . . . . A 91 LEU HA . 26068 1 459 . 1 1 91 91 LEU C C 13 177.41 0.400 . . . . . A 91 LEU C . 26068 1 460 . 1 1 91 91 LEU CA C 13 56.75 0.400 . . . . . A 91 LEU CA . 26068 1 461 . 1 1 91 91 LEU CB C 13 39.561 0.400 . . . . . A 91 LEU CB . 26068 1 462 . 1 1 91 91 LEU N N 15 121.35 0.400 . . . . . A 91 LEU N . 26068 1 463 . 1 1 92 92 THR H H 1 7.78 0.020 . . . . . A 92 THR H . 26068 1 464 . 1 1 92 92 THR HA H 1 3.67 0.020 . . . . . A 92 THR HA . 26068 1 465 . 1 1 92 92 THR C C 13 176.17 0.400 . . . . . A 92 THR C . 26068 1 466 . 1 1 92 92 THR CA C 13 66.15 0.400 . . . . . A 92 THR CA . 26068 1 467 . 1 1 92 92 THR CB C 13 66.95 0.400 . . . . . A 92 THR CB . 26068 1 468 . 1 1 92 92 THR N N 15 113.94 0.400 . . . . . A 92 THR N . 26068 1 469 . 1 1 93 93 ASP H H 1 8.79 0.020 . . . . . A 93 ASP H . 26068 1 470 . 1 1 93 93 ASP HA H 1 4.36 0.020 . . . . . A 93 ASP HA . 26068 1 471 . 1 1 93 93 ASP C C 13 178.02 0.400 . . . . . A 93 ASP C . 26068 1 472 . 1 1 93 93 ASP CA C 13 56.14 0.400 . . . . . A 93 ASP CA . 26068 1 473 . 1 1 93 93 ASP CB C 13 38.73 0.400 . . . . . A 93 ASP CB . 26068 1 474 . 1 1 93 93 ASP N N 15 121.58 0.400 . . . . . A 93 ASP N . 26068 1 475 . 1 1 94 94 ALA H H 1 8.05 0.020 . . . . . A 94 ALA H . 26068 1 476 . 1 1 94 94 ALA HA H 1 4.13 0.020 . . . . . A 94 ALA HA . 26068 1 477 . 1 1 94 94 ALA C C 13 180.08 0.400 . . . . . A 94 ALA C . 26068 1 478 . 1 1 94 94 ALA CA C 13 54.12 0.400 . . . . . A 94 ALA CA . 26068 1 479 . 1 1 94 94 ALA CB C 13 17.11 0.400 . . . . . A 94 ALA CB . 26068 1 480 . 1 1 94 94 ALA N N 15 124.61 0.400 . . . . . A 94 ALA N . 26068 1 481 . 1 1 95 95 VAL H H 1 8.11 0.020 . . . . . A 95 VAL H . 26068 1 482 . 1 1 95 95 VAL HA H 1 3.65 0.020 . . . . . A 95 VAL HA . 26068 1 483 . 1 1 95 95 VAL C C 13 177.26 0.400 . . . . . A 95 VAL C . 26068 1 484 . 1 1 95 95 VAL CA C 13 65.35 0.400 . . . . . A 95 VAL CA . 26068 1 485 . 1 1 95 95 VAL CB C 13 30.64 0.400 . . . . . A 95 VAL CB . 26068 1 486 . 1 1 95 95 VAL N N 15 119.04 0.400 . . . . . A 95 VAL N . 26068 1 487 . 1 1 96 96 ASP H H 1 7.97 0.020 . . . . . A 96 ASP H . 26068 1 488 . 1 1 96 96 ASP HA H 1 4.46 0.020 . . . . . A 96 ASP HA . 26068 1 489 . 1 1 96 96 ASP C C 13 176.71 0.400 . . . . . A 96 ASP C . 26068 1 490 . 1 1 96 96 ASP CA C 13 55.79 0.400 . . . . . A 96 ASP CA . 26068 1 491 . 1 1 96 96 ASP CB C 13 40.14 0.400 . . . . . A 96 ASP CB . 26068 1 492 . 1 1 96 96 ASP N N 15 119.55 0.400 . . . . . A 96 ASP N . 26068 1 493 . 1 1 97 97 SER H H 1 7.87 0.020 . . . . . A 97 SER H . 26068 1 494 . 1 1 97 97 SER HA H 1 4.42 0.020 . . . . . A 97 SER HA . 26068 1 495 . 1 1 97 97 SER CA C 13 58.29 0.400 . . . . . A 97 SER CA . 26068 1 496 . 1 1 97 97 SER CB C 13 62.72 0.400 . . . . . A 97 SER CB . 26068 1 497 . 1 1 97 97 SER N N 15 112.6 0.400 . . . . . A 97 SER N . 26068 1 498 . 1 1 98 98 HIS H H 1 7.34 0.020 . . . . . A 98 HIS H . 26068 1 499 . 1 1 98 98 HIS HA H 1 4.09 0.020 . . . . . A 98 HIS HA . 26068 1 500 . 1 1 98 98 HIS C C 13 173.4 0.400 . . . . . A 98 HIS C . 26068 1 501 . 1 1 98 98 HIS CA C 13 57.4 0.400 . . . . . A 98 HIS CA . 26068 1 502 . 1 1 98 98 HIS CB C 13 29.81 0.400 . . . . . A 98 HIS CB . 26068 1 503 . 1 1 98 98 HIS N N 15 122.58 0.400 . . . . . A 98 HIS N . 26068 1 504 . 1 1 99 99 LYS H H 1 7.33 0.020 . . . . . A 99 LYS H . 26068 1 505 . 1 1 99 99 LYS HA H 1 4.03 0.020 . . . . . A 99 LYS HA . 26068 1 506 . 1 1 99 99 LYS CA C 13 56.57 0.400 . . . . . A 99 LYS CA . 26068 1 507 . 1 1 99 99 LYS CB C 13 32.87 0.400 . . . . . A 99 LYS CB . 26068 1 508 . 1 1 99 99 LYS N N 15 128.65 0.400 . . . . . A 99 LYS N . 26068 1 stop_ save_