data_27621 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27621 _Entry.Title ; Backbone 1H, 15N, 13C assignment of DfdT337-K426. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-24 _Entry.Accession_date 2018-09-24 _Entry.Last_release_date 2018-09-25 _Entry.Original_release_date 2018-09-25 _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 'Backbone assignment' _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 Bidisha Acharya . . . . 27621 2 Snigdha Maiti . . . . 27621 3 Soumya De . . . . 27621 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27621 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 310 27621 '15N chemical shifts' 89 27621 '1H chemical shifts' 94 27621 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-04-10 2018-09-24 update BMRB 'update entry citation' 27621 1 . . 2019-03-28 2018-09-24 original author 'original release' 27621 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27621 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2019.02.021 _Citation.PubMed_ID 30802457 _Citation.Full_citation . _Citation.Title ; Dynamic Studies on Intrinsically Disordered Regions of Two Paralogous Transcription Factors Reveal Rigid Segments with Important Biological Functions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 431 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _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 1353 _Citation.Page_last 1369 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Snigdha Maiti S. . . . 27621 1 2 Bidisha Acharya B. . . . 27621 1 3 'Veda Sheersh' Boorla V. S. . . 27621 1 4 Bharat Manna B. . . . 27621 1 5 Amit Ghosh A. . . . 27621 1 6 Soumya De S. . . . 27621 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27621 _Assembly.ID 1 _Assembly.Name 'DFD mononer' _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 'DFD monomer' 1 $DFD A . yes native no no . . . 27621 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DFD _Entity.Sf_category entity _Entity.Sf_framecode DFD _Entity.Entry_ID 27621 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DFD _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 ; TDGERIIYPWMKKIHVAGVA NGSYQPGMEPKRQRTAYTRH QILELEKEFHYNRYLTRRRR IEIAHTLVLSERQIKIWFQN RRMKWKKDNK ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . THR . 27621 1 2 . ASP . 27621 1 3 . GLY . 27621 1 4 . GLU . 27621 1 5 . ARG . 27621 1 6 . ILE . 27621 1 7 . ILE . 27621 1 8 . TYR . 27621 1 9 . PRO . 27621 1 10 . TRP . 27621 1 11 . MET . 27621 1 12 . LYS . 27621 1 13 . LYS . 27621 1 14 . ILE . 27621 1 15 . HIS . 27621 1 16 . VAL . 27621 1 17 . ALA . 27621 1 18 . GLY . 27621 1 19 . VAL . 27621 1 20 . ALA . 27621 1 21 . ASN . 27621 1 22 . GLY . 27621 1 23 . SER . 27621 1 24 . TYR . 27621 1 25 . GLN . 27621 1 26 . PRO . 27621 1 27 . GLY . 27621 1 28 . MET . 27621 1 29 . GLU . 27621 1 30 . PRO . 27621 1 31 . LYS . 27621 1 32 . ARG . 27621 1 33 . GLN . 27621 1 34 . ARG . 27621 1 35 . THR . 27621 1 36 . ALA . 27621 1 37 . TYR . 27621 1 38 . THR . 27621 1 39 . ARG . 27621 1 40 . HIS . 27621 1 41 . GLN . 27621 1 42 . ILE . 27621 1 43 . LEU . 27621 1 44 . GLU . 27621 1 45 . LEU . 27621 1 46 . GLU . 27621 1 47 . LYS . 27621 1 48 . GLU . 27621 1 49 . PHE . 27621 1 50 . HIS . 27621 1 51 . TYR . 27621 1 52 . ASN . 27621 1 53 . ARG . 27621 1 54 . TYR . 27621 1 55 . LEU . 27621 1 56 . THR . 27621 1 57 . ARG . 27621 1 58 . ARG . 27621 1 59 . ARG . 27621 1 60 . ARG . 27621 1 61 . ILE . 27621 1 62 . GLU . 27621 1 63 . ILE . 27621 1 64 . ALA . 27621 1 65 . HIS . 27621 1 66 . THR . 27621 1 67 . LEU . 27621 1 68 . VAL . 27621 1 69 . LEU . 27621 1 70 . SER . 27621 1 71 . GLU . 27621 1 72 . ARG . 27621 1 73 . GLN . 27621 1 74 . ILE . 27621 1 75 . LYS . 27621 1 76 . ILE . 27621 1 77 . TRP . 27621 1 78 . PHE . 27621 1 79 . GLN . 27621 1 80 . ASN . 27621 1 81 . ARG . 27621 1 82 . ARG . 27621 1 83 . MET . 27621 1 84 . LYS . 27621 1 85 . TRP . 27621 1 86 . LYS . 27621 1 87 . LYS . 27621 1 88 . ASP . 27621 1 89 . ASN . 27621 1 90 . LYS . 27621 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 . THR 1 1 27621 1 . ASP 2 2 27621 1 . GLY 3 3 27621 1 . GLU 4 4 27621 1 . ARG 5 5 27621 1 . ILE 6 6 27621 1 . ILE 7 7 27621 1 . TYR 8 8 27621 1 . PRO 9 9 27621 1 . TRP 10 10 27621 1 . MET 11 11 27621 1 . LYS 12 12 27621 1 . LYS 13 13 27621 1 . ILE 14 14 27621 1 . HIS 15 15 27621 1 . VAL 16 16 27621 1 . ALA 17 17 27621 1 . GLY 18 18 27621 1 . VAL 19 19 27621 1 . ALA 20 20 27621 1 . ASN 21 21 27621 1 . GLY 22 22 27621 1 . SER 23 23 27621 1 . TYR 24 24 27621 1 . GLN 25 25 27621 1 . PRO 26 26 27621 1 . GLY 27 27 27621 1 . MET 28 28 27621 1 . GLU 29 29 27621 1 . PRO 30 30 27621 1 . LYS 31 31 27621 1 . ARG 32 32 27621 1 . GLN 33 33 27621 1 . ARG 34 34 27621 1 . THR 35 35 27621 1 . ALA 36 36 27621 1 . TYR 37 37 27621 1 . THR 38 38 27621 1 . ARG 39 39 27621 1 . HIS 40 40 27621 1 . GLN 41 41 27621 1 . ILE 42 42 27621 1 . LEU 43 43 27621 1 . GLU 44 44 27621 1 . LEU 45 45 27621 1 . GLU 46 46 27621 1 . LYS 47 47 27621 1 . GLU 48 48 27621 1 . PHE 49 49 27621 1 . HIS 50 50 27621 1 . TYR 51 51 27621 1 . ASN 52 52 27621 1 . ARG 53 53 27621 1 . TYR 54 54 27621 1 . LEU 55 55 27621 1 . THR 56 56 27621 1 . ARG 57 57 27621 1 . ARG 58 58 27621 1 . ARG 59 59 27621 1 . ARG 60 60 27621 1 . ILE 61 61 27621 1 . GLU 62 62 27621 1 . ILE 63 63 27621 1 . ALA 64 64 27621 1 . HIS 65 65 27621 1 . THR 66 66 27621 1 . LEU 67 67 27621 1 . VAL 68 68 27621 1 . LEU 69 69 27621 1 . SER 70 70 27621 1 . GLU 71 71 27621 1 . ARG 72 72 27621 1 . GLN 73 73 27621 1 . ILE 74 74 27621 1 . LYS 75 75 27621 1 . ILE 76 76 27621 1 . TRP 77 77 27621 1 . PHE 78 78 27621 1 . GLN 79 79 27621 1 . ASN 80 80 27621 1 . ARG 81 81 27621 1 . ARG 82 82 27621 1 . MET 83 83 27621 1 . LYS 84 84 27621 1 . TRP 85 85 27621 1 . LYS 86 86 27621 1 . LYS 87 87 27621 1 . ASP 88 88 27621 1 . ASN 89 89 27621 1 . LYS 90 90 27621 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 27621 _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 $DFD . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 27621 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 27621 _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 $DFD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET28a . . . 27621 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27621 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 DFD '[U-100% 13C; U-100% 15N]' . . 1 $DFD . . 0.3 . . mM . . . . 27621 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27621 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27621 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 27621 _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' 50 . mM 27621 1 pH 5.5 . pH 27621 1 pressure 1 . atm 27621 1 temperature 298 . K 27621 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27621 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version 3.131 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27621 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27621 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 27621 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27621 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27621 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 27621 _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 . . . . . . . . . . . . . . . . 27621 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27621 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27621 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27621 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 27621 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27621 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 27621 _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' . . . 27621 1 2 '3D HNCO' . . . 27621 1 3 '3D CBCA(CO)NH' . . . 27621 1 4 '3D HNCACB' . . . 27621 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27621 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 THR H H 1 8.224 . . . . . . . . 1 T H . 27621 1 2 . 1 1 1 1 THR C C 13 171.8 . . . . . . . . 1 T C . 27621 1 3 . 1 1 1 1 THR CA C 13 61.2 . . . . . . . . 1 T CA . 27621 1 4 . 1 1 1 1 THR CB C 13 69.3 . . . . . . . . 1 T CB . 27621 1 5 . 1 1 1 1 THR N N 15 114.4 . . . . . . . . 1 T N . 27621 1 6 . 1 1 2 2 ASP H H 1 8.383 . . . . . . . . 2 D H . 27621 1 7 . 1 1 2 2 ASP C C 13 174.2 . . . . . . . . 2 D C . 27621 1 8 . 1 1 2 2 ASP CA C 13 54.22 . . . . . . . . 2 D CA . 27621 1 9 . 1 1 2 2 ASP CB C 13 40.44 . . . . . . . . 2 D CB . 27621 1 10 . 1 1 2 2 ASP N N 15 122.6 . . . . . . . . 2 D N . 27621 1 11 . 1 1 3 3 GLY H H 1 8.344 . . . . . . . . 3 G H . 27621 1 12 . 1 1 3 3 GLY C C 13 171.6 . . . . . . . . 3 G C . 27621 1 13 . 1 1 3 3 GLY CA C 13 44.86 . . . . . . . . 3 G CA . 27621 1 14 . 1 1 3 3 GLY N N 15 108.8 . . . . . . . . 3 G N . 27621 1 15 . 1 1 4 4 GLU H H 1 8.175 . . . . . . . . 4 E H . 27621 1 16 . 1 1 4 4 GLU C C 13 173.7 . . . . . . . . 4 E C . 27621 1 17 . 1 1 4 4 GLU CA C 13 56.03 . . . . . . . . 4 E CA . 27621 1 18 . 1 1 4 4 GLU CB C 13 29.54 . . . . . . . . 4 E CB . 27621 1 19 . 1 1 4 4 GLU N N 15 120.3 . . . . . . . . 4 E N . 27621 1 20 . 1 1 5 5 ARG H H 1 8.212 . . . . . . . . 5 R H . 27621 1 21 . 1 1 5 5 ARG C C 13 173 . . . . . . . . 5 R C . 27621 1 22 . 1 1 5 5 ARG CA C 13 55.58 . . . . . . . . 5 R CA . 27621 1 23 . 1 1 5 5 ARG CB C 13 29.98 . . . . . . . . 5 R CB . 27621 1 24 . 1 1 5 5 ARG CG C 13 26.43 . . . . . . . . 5 R CG . 27621 1 25 . 1 1 5 5 ARG CD C 13 42.83 . . . . . . . . 5 R CD . 27621 1 26 . 1 1 5 5 ARG N N 15 121.6 . . . . . . . . 5 R N . 27621 1 27 . 1 1 6 6 ILE H H 1 7.999 . . . . . . . . 6 I H . 27621 1 28 . 1 1 6 6 ILE C C 13 172.5 . . . . . . . . 6 I C . 27621 1 29 . 1 1 6 6 ILE CA C 13 60.29 . . . . . . . . 6 I CA . 27621 1 30 . 1 1 6 6 ILE CB C 13 37.82 . . . . . . . . 6 I CB . 27621 1 31 . 1 1 6 6 ILE CG1 C 13 26.6 . . . . . . . . 6 I CG1 . 27621 1 32 . 1 1 6 6 ILE CG2 C 13 16.54 . . . . . . . . 6 I CG2 . 27621 1 33 . 1 1 6 6 ILE CD1 C 13 12.01 . . . . . . . . 6 I CD1 . 27621 1 34 . 1 1 6 6 ILE N N 15 122.8 . . . . . . . . 6 I N . 27621 1 35 . 1 1 7 7 ILE H H 1 7.976 . . . . . . . . 7 I H . 27621 1 36 . 1 1 7 7 ILE C C 13 172.7 . . . . . . . . 7 I C . 27621 1 37 . 1 1 7 7 ILE CA C 13 59.62 . . . . . . . . 7 I CA . 27621 1 38 . 1 1 7 7 ILE CB C 13 37.58 . . . . . . . . 7 I CB . 27621 1 39 . 1 1 7 7 ILE CG1 C 13 26.23 . . . . . . . . 7 I CG1 . 27621 1 40 . 1 1 7 7 ILE CG2 C 13 16.81 . . . . . . . . 7 I CG2 . 27621 1 41 . 1 1 7 7 ILE CD1 C 13 11.68 . . . . . . . . 7 I CD1 . 27621 1 42 . 1 1 7 7 ILE N N 15 124.8 . . . . . . . . 7 I N . 27621 1 43 . 1 1 8 8 TYR H H 1 7.708 . . . . . . . . 8 Y H . 27621 1 44 . 1 1 8 8 TYR C C 13 172.5 . . . . . . . . 8 Y C . 27621 1 45 . 1 1 8 8 TYR CA C 13 55.04 . . . . . . . . 8 Y CA . 27621 1 46 . 1 1 8 8 TYR CB C 13 37.13 . . . . . . . . 8 Y CB . 27621 1 47 . 1 1 8 8 TYR N N 15 125.2 . . . . . . . . 8 Y N . 27621 1 48 . 1 1 9 9 PRO C C 13 174.4 . . . . . . . . 9 P C . 27621 1 49 . 1 1 9 9 PRO CA C 13 64.26 . . . . . . . . 9 P CA . 27621 1 50 . 1 1 9 9 PRO CB C 13 31.05 . . . . . . . . 9 P CB . 27621 1 51 . 1 1 9 9 PRO CG C 13 26.84 . . . . . . . . 9 P CG . 27621 1 52 . 1 1 9 9 PRO CD C 13 50.3 . . . . . . . . 9 P CD . 27621 1 53 . 1 1 10 10 TRP H H 1 7.076 . . . . . . . . 10 W H . 27621 1 54 . 1 1 10 10 TRP HE1 H 1 10.26 . . . . . . . . 10 W HE1 . 27621 1 55 . 1 1 10 10 TRP C C 13 174 . . . . . . . . 10 W C . 27621 1 56 . 1 1 10 10 TRP CA C 13 56.59 . . . . . . . . 10 W CA . 27621 1 57 . 1 1 10 10 TRP CB C 13 27.42 . . . . . . . . 10 W CB . 27621 1 58 . 1 1 10 10 TRP N N 15 114.5 . . . . . . . . 10 W N . 27621 1 59 . 1 1 10 10 TRP NE1 N 15 130.8 . . . . . . . . 10 W NE1 . 27621 1 60 . 1 1 11 11 MET H H 1 7.551 . . . . . . . . 11 M H . 27621 1 61 . 1 1 11 11 MET C C 13 173.4 . . . . . . . . 11 M C . 27621 1 62 . 1 1 11 11 MET CA C 13 55.8 . . . . . . . . 11 M CA . 27621 1 63 . 1 1 11 11 MET CB C 13 32.17 . . . . . . . . 11 M CB . 27621 1 64 . 1 1 11 11 MET N N 15 121 . . . . . . . . 11 M N . 27621 1 65 . 1 1 12 12 LYS H H 1 7.966 . . . . . . . . 12 K H . 27621 1 66 . 1 1 12 12 LYS C C 13 173.8 . . . . . . . . 12 K C . 27621 1 67 . 1 1 12 12 LYS CA C 13 56.02 . . . . . . . . 12 K CA . 27621 1 68 . 1 1 12 12 LYS CB C 13 32.02 . . . . . . . . 12 K CB . 27621 1 69 . 1 1 12 12 LYS CG C 13 24.18 . . . . . . . . 12 K CG . 27621 1 70 . 1 1 12 12 LYS CD C 13 28.39 . . . . . . . . 12 K CD . 27621 1 71 . 1 1 12 12 LYS N N 15 120.8 . . . . . . . . 12 K N . 27621 1 72 . 1 1 13 13 LYS H H 1 8.259 . . . . . . . . 13 K H . 27621 1 73 . 1 1 13 13 LYS C C 13 173.5 . . . . . . . . 13 K C . 27621 1 74 . 1 1 13 13 LYS CA C 13 55.59 . . . . . . . . 13 K CA . 27621 1 75 . 1 1 13 13 LYS CB C 13 30.07 . . . . . . . . 13 K CB . 27621 1 76 . 1 1 13 13 LYS N N 15 121.5 . . . . . . . . 13 K N . 27621 1 77 . 1 1 14 14 ILE C C 13 173 . . . . . . . . 14 I C . 27621 1 78 . 1 1 14 14 ILE CA C 13 60.17 . . . . . . . . 14 I CA . 27621 1 79 . 1 1 14 14 ILE CB C 13 37.73 . . . . . . . . 14 I CB . 27621 1 80 . 1 1 14 14 ILE CG1 C 13 26.45 . . . . . . . . 14 I CG1 . 27621 1 81 . 1 1 15 15 HIS H H 1 7.996 . . . . . . . . 15 H H . 27621 1 82 . 1 1 15 15 HIS C C 13 172 . . . . . . . . 15 H C . 27621 1 83 . 1 1 15 15 HIS CA C 13 55.22 . . . . . . . . 15 H CA . 27621 1 84 . 1 1 15 15 HIS CB C 13 29.47 . . . . . . . . 15 H CB . 27621 1 85 . 1 1 15 15 HIS N N 15 123 . . . . . . . . 15 H N . 27621 1 86 . 1 1 16 16 VAL H H 1 8.142 . . . . . . . . 16 V H . 27621 1 87 . 1 1 16 16 VAL C C 13 172.9 . . . . . . . . 16 V C . 27621 1 88 . 1 1 16 16 VAL CA C 13 61.55 . . . . . . . . 16 V CA . 27621 1 89 . 1 1 16 16 VAL CB C 13 32.3 . . . . . . . . 16 V CB . 27621 1 90 . 1 1 16 16 VAL CG1 C 13 20.22 . . . . . . . . 16 V CG1 . 27621 1 91 . 1 1 16 16 VAL CG2 C 13 19.53 . . . . . . . . 16 V CG2 . 27621 1 92 . 1 1 16 16 VAL N N 15 122.8 . . . . . . . . 16 V N . 27621 1 93 . 1 1 17 17 ALA H H 1 8.406 . . . . . . . . 17 A H . 27621 1 94 . 1 1 17 17 ALA C C 13 175.3 . . . . . . . . 17 A C . 27621 1 95 . 1 1 17 17 ALA CA C 13 52.04 . . . . . . . . 17 A CA . 27621 1 96 . 1 1 17 17 ALA CB C 13 18.63 . . . . . . . . 17 A CB . 27621 1 97 . 1 1 17 17 ALA N N 15 127.8 . . . . . . . . 17 A N . 27621 1 98 . 1 1 18 18 GLY H H 1 8.336 . . . . . . . . 18 G H . 27621 1 99 . 1 1 18 18 GLY C C 13 171.4 . . . . . . . . 18 G C . 27621 1 100 . 1 1 18 18 GLY CA C 13 44.69 . . . . . . . . 18 G CA . 27621 1 101 . 1 1 18 18 GLY N N 15 108.4 . . . . . . . . 18 G N . 27621 1 102 . 1 1 19 19 VAL H H 1 7.923 . . . . . . . . 19 V H . 27621 1 103 . 1 1 19 19 VAL C C 13 173.3 . . . . . . . . 19 V C . 27621 1 104 . 1 1 19 19 VAL CA C 13 61.54 . . . . . . . . 19 V CA . 27621 1 105 . 1 1 19 19 VAL CB C 13 32.12 . . . . . . . . 19 V CB . 27621 1 106 . 1 1 19 19 VAL CG1 C 13 20.31 . . . . . . . . 19 V CG1 . 27621 1 107 . 1 1 19 19 VAL CG2 C 13 19.57 . . . . . . . . 19 V CG2 . 27621 1 108 . 1 1 19 19 VAL N N 15 119 . . . . . . . . 19 V N . 27621 1 109 . 1 1 20 20 ALA H H 1 8.441 . . . . . . . . 20 A H . 27621 1 110 . 1 1 20 20 ALA C C 13 174.8 . . . . . . . . 20 A C . 27621 1 111 . 1 1 20 20 ALA CA C 13 51.94 . . . . . . . . 20 A CA . 27621 1 112 . 1 1 20 20 ALA CB C 13 18.41 . . . . . . . . 20 A CB . 27621 1 113 . 1 1 20 20 ALA N N 15 127.6 . . . . . . . . 20 A N . 27621 1 114 . 1 1 21 21 ASN H H 1 8.392 . . . . . . . . 21 N H . 27621 1 115 . 1 1 21 21 ASN HD21 H 1 7.616 . . . . . . . . 21 N HD21 . 27621 1 116 . 1 1 21 21 ASN HD22 H 1 6.934 . . . . . . . . 21 N HD22 . 27621 1 117 . 1 1 21 21 ASN C C 13 173.1 . . . . . . . . 21 N C . 27621 1 118 . 1 1 21 21 ASN CA C 13 52.64 . . . . . . . . 21 N CA . 27621 1 119 . 1 1 21 21 ASN CB C 13 38.3 . . . . . . . . 21 N CB . 27621 1 120 . 1 1 21 21 ASN N N 15 118.3 . . . . . . . . 21 N N . 27621 1 121 . 1 1 21 21 ASN ND2 N 15 112.7 . . . . . . . . 21 N ND2 . 27621 1 122 . 1 1 22 22 GLY H H 1 8.364 . . . . . . . . 22 G H . 27621 1 123 . 1 1 22 22 GLY C C 13 174 . . . . . . . . 22 G C . 27621 1 124 . 1 1 22 22 GLY CA C 13 44.9 . . . . . . . . 22 G CA . 27621 1 125 . 1 1 22 22 GLY N N 15 109.3 . . . . . . . . 22 G N . 27621 1 126 . 1 1 23 23 SER H H 1 8.303 . . . . . . . . 23 S H . 27621 1 127 . 1 1 23 23 SER C C 13 175.8 . . . . . . . . 23 S C . 27621 1 128 . 1 1 23 23 SER CA C 13 57.97 . . . . . . . . 23 S CA . 27621 1 129 . 1 1 23 23 SER CB C 13 63.49 . . . . . . . . 23 S CB . 27621 1 130 . 1 1 23 23 SER N N 15 115.7 . . . . . . . . 23 S N . 27621 1 131 . 1 1 24 24 TYR H H 1 8.162 . . . . . . . . 24 Y H . 27621 1 132 . 1 1 24 24 TYR C C 13 172.4 . . . . . . . . 24 Y C . 27621 1 133 . 1 1 24 24 TYR CA C 13 57.31 . . . . . . . . 24 Y CA . 27621 1 134 . 1 1 24 24 TYR CB C 13 38.4 . . . . . . . . 24 Y CB . 27621 1 135 . 1 1 24 24 TYR N N 15 122 . . . . . . . . 24 Y N . 27621 1 136 . 1 1 25 25 GLN H H 1 8.156 . . . . . . . . 25 Q H . 27621 1 137 . 1 1 25 25 GLN C C 13 170.5 . . . . . . . . 25 Q C . 27621 1 138 . 1 1 25 25 GLN CA C 13 52.46 . . . . . . . . 25 Q CA . 27621 1 139 . 1 1 25 25 GLN CB C 13 28.6 . . . . . . . . 25 Q CB . 27621 1 140 . 1 1 25 25 GLN N N 15 124.4 . . . . . . . . 25 Q N . 27621 1 141 . 1 1 26 26 PRO C C 13 174.8 . . . . . . . . 26 P C . 27621 1 142 . 1 1 26 26 PRO CA C 13 63.1 . . . . . . . . 26 P CA . 27621 1 143 . 1 1 26 26 PRO CB C 13 31.2 . . . . . . . . 26 P CB . 27621 1 144 . 1 1 27 27 GLY H H 1 8.594 . . . . . . . . 27 G H . 27621 1 145 . 1 1 27 27 GLY C C 13 171.7 . . . . . . . . 27 G C . 27621 1 146 . 1 1 27 27 GLY CA C 13 44.71 . . . . . . . . 27 G CA . 27621 1 147 . 1 1 27 27 GLY N N 15 109.9 . . . . . . . . 27 G N . 27621 1 148 . 1 1 28 28 MET H H 1 8.07 . . . . . . . . 28 M H . 27621 1 149 . 1 1 28 28 MET C C 13 173.2 . . . . . . . . 28 M C . 27621 1 150 . 1 1 28 28 MET CA C 13 54.33 . . . . . . . . 28 M CA . 27621 1 151 . 1 1 28 28 MET CB C 13 32.18 . . . . . . . . 28 M CB . 27621 1 152 . 1 1 28 28 MET N N 15 119.3 . . . . . . . . 28 M N . 27621 1 153 . 1 1 29 29 GLU H H 1 8.554 . . . . . . . . 29 E H . 27621 1 154 . 1 1 29 29 GLU C C 13 171.9 . . . . . . . . 29 E C . 27621 1 155 . 1 1 29 29 GLU CA C 13 55.29 . . . . . . . . 29 E CA . 27621 1 156 . 1 1 29 29 GLU CB C 13 28.72 . . . . . . . . 29 E CB . 27621 1 157 . 1 1 29 29 GLU N N 15 123.2 . . . . . . . . 29 E N . 27621 1 158 . 1 1 30 30 PRO C C 13 174.4 . . . . . . . . 30 P C . 27621 1 159 . 1 1 30 30 PRO CA C 13 62.91 . . . . . . . . 30 P CA . 27621 1 160 . 1 1 30 30 PRO CB C 13 31.3 . . . . . . . . 30 P CB . 27621 1 161 . 1 1 30 30 PRO CG C 13 26.75 . . . . . . . . 30 P CG . 27621 1 162 . 1 1 30 30 PRO CD C 13 50.18 . . . . . . . . 30 P CD . 27621 1 163 . 1 1 31 31 LYS H H 1 8.373 . . . . . . . . 31 K H . 27621 1 164 . 1 1 31 31 LYS C C 13 173.9 . . . . . . . . 31 K C . 27621 1 165 . 1 1 31 31 LYS CA C 13 56.04 . . . . . . . . 31 K CA . 27621 1 166 . 1 1 31 31 LYS CB C 13 32.15 . . . . . . . . 31 K CB . 27621 1 167 . 1 1 31 31 LYS N N 15 120.8 . . . . . . . . 31 K N . 27621 1 168 . 1 1 32 32 ARG H H 1 8.103 . . . . . . . . 32 R H . 27621 1 169 . 1 1 32 32 ARG C C 13 173.5 . . . . . . . . 32 R C . 27621 1 170 . 1 1 32 32 ARG CA C 13 55.73 . . . . . . . . 32 R CA . 27621 1 171 . 1 1 32 32 ARG CB C 13 30.13 . . . . . . . . 32 R CB . 27621 1 172 . 1 1 32 32 ARG CG C 13 25.35 . . . . . . . . 32 R CG . 27621 1 173 . 1 1 32 32 ARG CD C 13 42.79 . . . . . . . . 32 R CD . 27621 1 174 . 1 1 32 32 ARG N N 15 121.5 . . . . . . . . 32 R N . 27621 1 175 . 1 1 33 33 GLN H H 1 8.374 . . . . . . . . 33 Q H . 27621 1 176 . 1 1 33 33 GLN HE21 H 1 7.538 . . . . . . . . 33 Q HE21 . 27621 1 177 . 1 1 33 33 GLN HE22 H 1 6.873 . . . . . . . . 33 Q HE22 . 27621 1 178 . 1 1 33 33 GLN C C 13 173.2 . . . . . . . . 33 Q C . 27621 1 179 . 1 1 33 33 GLN CA C 13 55.36 . . . . . . . . 33 Q CA . 27621 1 180 . 1 1 33 33 GLN CB C 13 28.9 . . . . . . . . 33 Q CB . 27621 1 181 . 1 1 33 33 GLN CG C 13 33.08 . . . . . . . . 33 Q CG . 27621 1 182 . 1 1 33 33 GLN N N 15 121.5 . . . . . . . . 33 Q N . 27621 1 183 . 1 1 33 33 GLN NE2 N 15 112.3 . . . . . . . . 33 Q NE2 . 27621 1 184 . 1 1 34 34 ARG H H 1 8.454 . . . . . . . . 34 R H . 27621 1 185 . 1 1 34 34 ARG C C 13 173.6 . . . . . . . . 34 R C . 27621 1 186 . 1 1 34 34 ARG CA C 13 55.77 . . . . . . . . 34 R CA . 27621 1 187 . 1 1 34 34 ARG CB C 13 30.13 . . . . . . . . 34 R CB . 27621 1 188 . 1 1 34 34 ARG CG C 13 26.48 . . . . . . . . 34 R CG . 27621 1 189 . 1 1 34 34 ARG CD C 13 42.81 . . . . . . . . 34 R CD . 27621 1 190 . 1 1 34 34 ARG N N 15 122.8 . . . . . . . . 34 R N . 27621 1 191 . 1 1 35 35 THR H H 1 8.196 . . . . . . . . 35 T H . 27621 1 192 . 1 1 35 35 THR C C 13 171 . . . . . . . . 35 T C . 27621 1 193 . 1 1 35 35 THR CA C 13 61.23 . . . . . . . . 35 T CA . 27621 1 194 . 1 1 35 35 THR CB C 13 69.36 . . . . . . . . 35 T CB . 27621 1 195 . 1 1 35 35 THR CG2 C 13 20.99 . . . . . . . . 35 T CG2 . 27621 1 196 . 1 1 35 35 THR N N 15 116 . . . . . . . . 35 T N . 27621 1 197 . 1 1 36 36 ALA H H 1 8.263 . . . . . . . . 36 A H . 27621 1 198 . 1 1 36 36 ALA C C 13 174 . . . . . . . . 36 A C . 27621 1 199 . 1 1 36 36 ALA CA C 13 51.77 . . . . . . . . 36 A CA . 27621 1 200 . 1 1 36 36 ALA CB C 13 18.96 . . . . . . . . 36 A CB . 27621 1 201 . 1 1 36 36 ALA N N 15 127.1 . . . . . . . . 36 A N . 27621 1 202 . 1 1 37 37 TYR H H 1 7.845 . . . . . . . . 37 Y H . 27621 1 203 . 1 1 37 37 TYR C C 13 174.1 . . . . . . . . 37 Y C . 27621 1 204 . 1 1 37 37 TYR CA C 13 56.12 . . . . . . . . 37 Y CA . 27621 1 205 . 1 1 37 37 TYR CB C 13 39.94 . . . . . . . . 37 Y CB . 27621 1 206 . 1 1 37 37 TYR N N 15 117.5 . . . . . . . . 37 Y N . 27621 1 207 . 1 1 38 38 THR H H 1 9.167 . . . . . . . . 38 T H . 27621 1 208 . 1 1 38 38 THR C C 13 172.4 . . . . . . . . 38 T C . 27621 1 209 . 1 1 38 38 THR CA C 13 59.88 . . . . . . . . 38 T CA . 27621 1 210 . 1 1 38 38 THR CB C 13 70.43 . . . . . . . . 38 T CB . 27621 1 211 . 1 1 38 38 THR N N 15 114.3 . . . . . . . . 38 T N . 27621 1 212 . 1 1 39 39 ARG H H 1 8.855 . . . . . . . . 39 R H . 27621 1 213 . 1 1 39 39 ARG C C 13 173 . . . . . . . . 39 R C . 27621 1 214 . 1 1 39 39 ARG CA C 13 59.58 . . . . . . . . 39 R CA . 27621 1 215 . 1 1 39 39 ARG CB C 13 28.69 . . . . . . . . 39 R CB . 27621 1 216 . 1 1 39 39 ARG N N 15 121.4 . . . . . . . . 39 R N . 27621 1 217 . 1 1 40 40 HIS H H 1 8.299 . . . . . . . . 40 H H . 27621 1 218 . 1 1 40 40 HIS C C 13 173 . . . . . . . . 40 H C . 27621 1 219 . 1 1 40 40 HIS CA C 13 58.63 . . . . . . . . 40 H CA . 27621 1 220 . 1 1 40 40 HIS CB C 13 29.02 . . . . . . . . 40 H CB . 27621 1 221 . 1 1 40 40 HIS N N 15 115.8 . . . . . . . . 40 H N . 27621 1 222 . 1 1 41 41 GLN H H 1 7.721 . . . . . . . . 41 Q H . 27621 1 223 . 1 1 41 41 GLN C C 13 174.5 . . . . . . . . 41 Q C . 27621 1 224 . 1 1 41 41 GLN CA C 13 58.81 . . . . . . . . 41 Q CA . 27621 1 225 . 1 1 41 41 GLN CB C 13 26.69 . . . . . . . . 41 Q CB . 27621 1 226 . 1 1 41 41 GLN CG C 13 34.33 . . . . . . . . 41 Q CG . 27621 1 227 . 1 1 41 41 GLN N N 15 116 . . . . . . . . 41 Q N . 27621 1 228 . 1 1 42 42 ILE H H 1 8.189 . . . . . . . . 42 I H . 27621 1 229 . 1 1 42 42 ILE C C 13 174.7 . . . . . . . . 42 I C . 27621 1 230 . 1 1 42 42 ILE CA C 13 64.02 . . . . . . . . 42 I CA . 27621 1 231 . 1 1 42 42 ILE CB C 13 36.69 . . . . . . . . 42 I CB . 27621 1 232 . 1 1 42 42 ILE N N 15 117.1 . . . . . . . . 42 I N . 27621 1 233 . 1 1 43 43 LEU H H 1 8.181 . . . . . . . . 43 L H . 27621 1 234 . 1 1 43 43 LEU C C 13 176.4 . . . . . . . . 43 L C . 27621 1 235 . 1 1 43 43 LEU CA C 13 57.82 . . . . . . . . 43 L CA . 27621 1 236 . 1 1 43 43 LEU CB C 13 41 . . . . . . . . 43 L CB . 27621 1 237 . 1 1 43 43 LEU N N 15 118.7 . . . . . . . . 43 L N . 27621 1 238 . 1 1 44 44 GLU H H 1 7.704 . . . . . . . . 44 E H . 27621 1 239 . 1 1 44 44 GLU C C 13 176.9 . . . . . . . . 44 E C . 27621 1 240 . 1 1 44 44 GLU CA C 13 58.2 . . . . . . . . 44 E CA . 27621 1 241 . 1 1 44 44 GLU CB C 13 29.41 . . . . . . . . 44 E CB . 27621 1 242 . 1 1 44 44 GLU N N 15 117.8 . . . . . . . . 44 E N . 27621 1 243 . 1 1 45 45 LEU H H 1 8.283 . . . . . . . . 45 L H . 27621 1 244 . 1 1 45 45 LEU C C 13 175.2 . . . . . . . . 45 L C . 27621 1 245 . 1 1 45 45 LEU CA C 13 57.83 . . . . . . . . 45 L CA . 27621 1 246 . 1 1 45 45 LEU N N 15 123.8 . . . . . . . . 45 L N . 27621 1 247 . 1 1 46 46 GLU H H 1 8.097 . . . . . . . . 46 E H . 27621 1 248 . 1 1 46 46 GLU C C 13 175 . . . . . . . . 46 E C . 27621 1 249 . 1 1 46 46 GLU CA C 13 58.22 . . . . . . . . 46 E CA . 27621 1 250 . 1 1 46 46 GLU CB C 13 28.63 . . . . . . . . 46 E CB . 27621 1 251 . 1 1 46 46 GLU N N 15 116 . . . . . . . . 46 E N . 27621 1 252 . 1 1 47 47 LYS H H 1 8.127 . . . . . . . . 47 K H . 27621 1 253 . 1 1 47 47 LYS C C 13 175.9 . . . . . . . . 47 K C . 27621 1 254 . 1 1 47 47 LYS CA C 13 58.78 . . . . . . . . 47 K CA . 27621 1 255 . 1 1 47 47 LYS CB C 13 31.64 . . . . . . . . 47 K CB . 27621 1 256 . 1 1 47 47 LYS CG C 13 24.15 . . . . . . . . 47 K CG . 27621 1 257 . 1 1 47 47 LYS CD C 13 28.82 . . . . . . . . 47 K CD . 27621 1 258 . 1 1 47 47 LYS N N 15 119.6 . . . . . . . . 47 K N . 27621 1 259 . 1 1 48 48 GLU H H 1 7.977 . . . . . . . . 48 E H . 27621 1 260 . 1 1 48 48 GLU C C 13 176.1 . . . . . . . . 48 E C . 27621 1 261 . 1 1 48 48 GLU CA C 13 58.65 . . . . . . . . 48 E CA . 27621 1 262 . 1 1 48 48 GLU CB C 13 28.03 . . . . . . . . 48 E CB . 27621 1 263 . 1 1 48 48 GLU N N 15 120.2 . . . . . . . . 48 E N . 27621 1 264 . 1 1 49 49 PHE H H 1 8.933 . . . . . . . . 49 F H . 27621 1 265 . 1 1 49 49 PHE C C 13 173.1 . . . . . . . . 49 F C . 27621 1 266 . 1 1 49 49 PHE CA C 13 59.85 . . . . . . . . 49 F CA . 27621 1 267 . 1 1 49 49 PHE CB C 13 38.64 . . . . . . . . 49 F CB . 27621 1 268 . 1 1 49 49 PHE N N 15 120.9 . . . . . . . . 49 F N . 27621 1 269 . 1 1 50 50 HIS H H 1 7.814 . . . . . . . . 50 H H . 27621 1 270 . 1 1 50 50 HIS C C 13 173.4 . . . . . . . . 50 H C . 27621 1 271 . 1 1 50 50 HIS CA C 13 52.69 . . . . . . . . 50 H CA . 27621 1 272 . 1 1 50 50 HIS CB C 13 27.71 . . . . . . . . 50 H CB . 27621 1 273 . 1 1 50 50 HIS N N 15 114.3 . . . . . . . . 50 H N . 27621 1 274 . 1 1 51 51 TYR H H 1 7.626 . . . . . . . . 51 Y H . 27621 1 275 . 1 1 51 51 TYR C C 13 173.6 . . . . . . . . 51 Y C . 27621 1 276 . 1 1 51 51 TYR CA C 13 59.14 . . . . . . . . 51 Y CA . 27621 1 277 . 1 1 51 51 TYR CB C 13 38.2 . . . . . . . . 51 Y CB . 27621 1 278 . 1 1 51 51 TYR N N 15 118.2 . . . . . . . . 51 Y N . 27621 1 279 . 1 1 52 52 ASN H H 1 8.385 . . . . . . . . 52 N H . 27621 1 280 . 1 1 52 52 ASN C C 13 175.8 . . . . . . . . 52 N C . 27621 1 281 . 1 1 52 52 ASN CA C 13 52.37 . . . . . . . . 52 N CA . 27621 1 282 . 1 1 52 52 ASN CB C 13 39.88 . . . . . . . . 52 N CB . 27621 1 283 . 1 1 52 52 ASN N N 15 117 . . . . . . . . 52 N N . 27621 1 284 . 1 1 53 53 ARG H H 1 8.126 . . . . . . . . 53 R H . 27621 1 285 . 1 1 53 53 ARG C C 13 171.8 . . . . . . . . 53 R C . 27621 1 286 . 1 1 53 53 ARG CA C 13 56.22 . . . . . . . . 53 R CA . 27621 1 287 . 1 1 53 53 ARG CB C 13 29.63 . . . . . . . . 53 R CB . 27621 1 288 . 1 1 53 53 ARG N N 15 120.9 . . . . . . . . 53 R N . 27621 1 289 . 1 1 54 54 TYR H H 1 7.649 . . . . . . . . 54 Y H . 27621 1 290 . 1 1 54 54 TYR C C 13 172.2 . . . . . . . . 54 Y C . 27621 1 291 . 1 1 54 54 TYR CA C 13 55.96 . . . . . . . . 54 Y CA . 27621 1 292 . 1 1 54 54 TYR CB C 13 40.01 . . . . . . . . 54 Y CB . 27621 1 293 . 1 1 54 54 TYR N N 15 114.3 . . . . . . . . 54 Y N . 27621 1 294 . 1 1 55 55 LEU H H 1 8.328 . . . . . . . . 55 L H . 27621 1 295 . 1 1 55 55 LEU C C 13 174.8 . . . . . . . . 55 L C . 27621 1 296 . 1 1 55 55 LEU CA C 13 52.78 . . . . . . . . 55 L CA . 27621 1 297 . 1 1 55 55 LEU CB C 13 43.32 . . . . . . . . 55 L CB . 27621 1 298 . 1 1 55 55 LEU CG C 13 25.5 . . . . . . . . 55 L CG . 27621 1 299 . 1 1 55 55 LEU CD1 C 13 22.89 . . . . . . . . 55 L CD1 . 27621 1 300 . 1 1 55 55 LEU N N 15 122.1 . . . . . . . . 55 L N . 27621 1 301 . 1 1 56 56 THR H H 1 7.653 . . . . . . . . 56 T H . 27621 1 302 . 1 1 56 56 THR C C 13 172.3 . . . . . . . . 56 T C . 27621 1 303 . 1 1 56 56 THR CA C 13 59.74 . . . . . . . . 56 T CA . 27621 1 304 . 1 1 56 56 THR CB C 13 70.33 . . . . . . . . 56 T CB . 27621 1 305 . 1 1 56 56 THR CG2 C 13 21.6 . . . . . . . . 56 T CG2 . 27621 1 306 . 1 1 56 56 THR N N 15 112.7 . . . . . . . . 56 T N . 27621 1 307 . 1 1 57 57 ARG H H 1 8.851 . . . . . . . . 57 R H . 27621 1 308 . 1 1 57 57 ARG C C 13 175.4 . . . . . . . . 57 R C . 27621 1 309 . 1 1 57 57 ARG CA C 13 59.14 . . . . . . . . 57 R CA . 27621 1 310 . 1 1 57 57 ARG CB C 13 28.73 . . . . . . . . 57 R CB . 27621 1 311 . 1 1 57 57 ARG CG C 13 26.42 . . . . . . . . 57 R CG . 27621 1 312 . 1 1 57 57 ARG CD C 13 42.56 . . . . . . . . 57 R CD . 27621 1 313 . 1 1 57 57 ARG N N 15 122.7 . . . . . . . . 57 R N . 27621 1 314 . 1 1 58 58 ARG H H 1 8.491 . . . . . . . . 58 R H . 27621 1 315 . 1 1 58 58 ARG C C 13 175.2 . . . . . . . . 58 R C . 27621 1 316 . 1 1 58 58 ARG CA C 13 60.11 . . . . . . . . 58 R CA . 27621 1 317 . 1 1 58 58 ARG CB C 13 29.6 . . . . . . . . 58 R CB . 27621 1 318 . 1 1 58 58 ARG CD C 13 42.44 . . . . . . . . 58 R CD . 27621 1 319 . 1 1 58 58 ARG N N 15 116.1 . . . . . . . . 58 R N . 27621 1 320 . 1 1 59 59 ARG H H 1 7.795 . . . . . . . . 59 R H . 27621 1 321 . 1 1 59 59 ARG C C 13 175.1 . . . . . . . . 59 R C . 27621 1 322 . 1 1 59 59 ARG CA C 13 56.86 . . . . . . . . 59 R CA . 27621 1 323 . 1 1 59 59 ARG CB C 13 29.17 . . . . . . . . 59 R CB . 27621 1 324 . 1 1 59 59 ARG CG C 13 26.01 . . . . . . . . 59 R CG . 27621 1 325 . 1 1 59 59 ARG CD C 13 42.28 . . . . . . . . 59 R CD . 27621 1 326 . 1 1 59 59 ARG N N 15 122.7 . . . . . . . . 59 R N . 27621 1 327 . 1 1 60 60 ARG H H 1 8.445 . . . . . . . . 60 R H . 27621 1 328 . 1 1 60 60 ARG C C 13 175.7 . . . . . . . . 60 R C . 27621 1 329 . 1 1 60 60 ARG CA C 13 59.19 . . . . . . . . 60 R CA . 27621 1 330 . 1 1 60 60 ARG CB C 13 29.63 . . . . . . . . 60 R CB . 27621 1 331 . 1 1 60 60 ARG CG C 13 27.65 . . . . . . . . 60 R CG . 27621 1 332 . 1 1 60 60 ARG CD C 13 43.26 . . . . . . . . 60 R CD . 27621 1 333 . 1 1 60 60 ARG N N 15 119.3 . . . . . . . . 60 R N . 27621 1 334 . 1 1 61 61 ILE H H 1 7.972 . . . . . . . . 61 I H . 27621 1 335 . 1 1 61 61 ILE C C 13 175.4 . . . . . . . . 61 I C . 27621 1 336 . 1 1 61 61 ILE CA C 13 61.53 . . . . . . . . 61 I CA . 27621 1 337 . 1 1 61 61 ILE CB C 13 37.63 . . . . . . . . 61 I CB . 27621 1 338 . 1 1 61 61 ILE N N 15 118 . . . . . . . . 61 I N . 27621 1 339 . 1 1 62 62 GLU H H 1 7.728 . . . . . . . . 62 E H . 27621 1 340 . 1 1 62 62 GLU C C 13 177.1 . . . . . . . . 62 E C . 27621 1 341 . 1 1 62 62 GLU CA C 13 59.24 . . . . . . . . 62 E CA . 27621 1 342 . 1 1 62 62 GLU CB C 13 30.06 . . . . . . . . 62 E CB . 27621 1 343 . 1 1 62 62 GLU N N 15 120.8 . . . . . . . . 62 E N . 27621 1 344 . 1 1 63 63 ILE H H 1 8.652 . . . . . . . . 63 I H . 27621 1 345 . 1 1 63 63 ILE C C 13 174.9 . . . . . . . . 63 I C . 27621 1 346 . 1 1 63 63 ILE CA C 13 64.3 . . . . . . . . 63 I CA . 27621 1 347 . 1 1 63 63 ILE CB C 13 37.11 . . . . . . . . 63 I CB . 27621 1 348 . 1 1 63 63 ILE CG1 C 13 27.91 . . . . . . . . 63 I CG1 . 27621 1 349 . 1 1 63 63 ILE CG2 C 13 17.39 . . . . . . . . 63 I CG2 . 27621 1 350 . 1 1 63 63 ILE N N 15 119.8 . . . . . . . . 63 I N . 27621 1 351 . 1 1 64 64 ALA H H 1 8.359 . . . . . . . . 64 A H . 27621 1 352 . 1 1 64 64 ALA C C 13 177.7 . . . . . . . . 64 A C . 27621 1 353 . 1 1 64 64 ALA CA C 13 55.73 . . . . . . . . 64 A CA . 27621 1 354 . 1 1 64 64 ALA CB C 13 17.02 . . . . . . . . 64 A CB . 27621 1 355 . 1 1 64 64 ALA N N 15 124.3 . . . . . . . . 64 A N . 27621 1 356 . 1 1 65 65 HIS H H 1 7.974 . . . . . . . . 65 H H . 27621 1 357 . 1 1 65 65 HIS C C 13 175 . . . . . . . . 65 H C . 27621 1 358 . 1 1 65 65 HIS CA C 13 57.72 . . . . . . . . 65 H CA . 27621 1 359 . 1 1 65 65 HIS CB C 13 27.97 . . . . . . . . 65 H CB . 27621 1 360 . 1 1 65 65 HIS N N 15 114.2 . . . . . . . . 65 H N . 27621 1 361 . 1 1 66 66 THR H H 1 8.405 . . . . . . . . 66 T H . 27621 1 362 . 1 1 66 66 THR C C 13 173.2 . . . . . . . . 66 T C . 27621 1 363 . 1 1 66 66 THR CA C 13 65.55 . . . . . . . . 66 T CA . 27621 1 364 . 1 1 66 66 THR CB C 13 68.59 . . . . . . . . 66 T CB . 27621 1 365 . 1 1 66 66 THR N N 15 116 . . . . . . . . 66 T N . 27621 1 366 . 1 1 67 67 LEU H H 1 8.686 . . . . . . . . 67 L H . 27621 1 367 . 1 1 67 67 LEU C C 13 173.6 . . . . . . . . 67 L C . 27621 1 368 . 1 1 67 67 LEU CA C 13 54.05 . . . . . . . . 67 L CA . 27621 1 369 . 1 1 67 67 LEU CB C 13 41.53 . . . . . . . . 67 L CB . 27621 1 370 . 1 1 67 67 LEU N N 15 117.4 . . . . . . . . 67 L N . 27621 1 371 . 1 1 68 68 VAL H H 1 7.782 . . . . . . . . 68 V H . 27621 1 372 . 1 1 68 68 VAL C C 13 171.4 . . . . . . . . 68 V C . 27621 1 373 . 1 1 68 68 VAL CA C 13 62.97 . . . . . . . . 68 V CA . 27621 1 374 . 1 1 68 68 VAL CB C 13 32.10 . . . . . . . . 68 V CB . 27621 1 375 . 1 1 68 68 VAL N N 15 121 . . . . . . . . 68 V N . 27621 1 376 . 1 1 69 69 LEU C C 13 172.9 . . . . . . . . 69 L C . 27621 1 377 . 1 1 69 69 LEU CA C 13 51.95 . . . . . . . . 69 L CA . 27621 1 378 . 1 1 69 69 LEU CB C 13 62.97 . . . . . . . . 69 L CB . 27621 1 379 . 1 1 70 70 SER H H 1 8.803 . . . . . . . . 70 S H . 27621 1 380 . 1 1 70 70 SER C C 13 173.2 . . . . . . . . 70 S C . 27621 1 381 . 1 1 70 70 SER CA C 13 56.4 . . . . . . . . 70 S CA . 27621 1 382 . 1 1 70 70 SER CB C 13 64.74 . . . . . . . . 70 S CB . 27621 1 383 . 1 1 70 70 SER N N 15 115.2 . . . . . . . . 70 S N . 27621 1 384 . 1 1 71 71 GLU H H 1 9.165 . . . . . . . . 71 E H . 27621 1 385 . 1 1 71 71 GLU C C 13 175.9 . . . . . . . . 71 E C . 27621 1 386 . 1 1 71 71 GLU CA C 13 60.68 . . . . . . . . 71 E CA . 27621 1 387 . 1 1 71 71 GLU CB C 13 29.25 . . . . . . . . 71 E CB . 27621 1 388 . 1 1 71 71 GLU N N 15 121.4 . . . . . . . . 71 E N . 27621 1 389 . 1 1 72 72 ARG H H 1 8.365 . . . . . . . . 72 R H . 27621 1 390 . 1 1 72 72 ARG C C 13 175.3 . . . . . . . . 72 R C . 27621 1 391 . 1 1 72 72 ARG CA C 13 59 . . . . . . . . 72 R CA . 27621 1 392 . 1 1 72 72 ARG CB C 13 29.31 . . . . . . . . 72 R CB . 27621 1 393 . 1 1 72 72 ARG CG C 13 26.55 . . . . . . . . 72 R CG . 27621 1 394 . 1 1 72 72 ARG CD C 13 42.72 . . . . . . . . 72 R CD . 27621 1 395 . 1 1 72 72 ARG N N 15 118.6 . . . . . . . . 72 R N . 27621 1 396 . 1 1 73 73 GLN H H 1 7.956 . . . . . . . . 73 Q H . 27621 1 397 . 1 1 73 73 GLN C C 13 177.4 . . . . . . . . 73 Q C . 27621 1 398 . 1 1 73 73 GLN CA C 13 58.6 . . . . . . . . 73 Q CA . 27621 1 399 . 1 1 73 73 GLN CB C 13 28.85 . . . . . . . . 73 Q CB . 27621 1 400 . 1 1 73 73 GLN N N 15 117.4 . . . . . . . . 73 Q N . 27621 1 401 . 1 1 74 74 ILE H H 1 7.989 . . . . . . . . 74 I H . 27621 1 402 . 1 1 74 74 ILE C C 13 174.4 . . . . . . . . 74 I C . 27621 1 403 . 1 1 74 74 ILE CA C 13 64.02 . . . . . . . . 74 I CA . 27621 1 404 . 1 1 74 74 ILE CB C 13 36.47 . . . . . . . . 74 I CB . 27621 1 405 . 1 1 74 74 ILE N N 15 120.8 . . . . . . . . 74 I N . 27621 1 406 . 1 1 75 75 LYS H H 1 8.488 . . . . . . . . 75 K H . 27621 1 407 . 1 1 75 75 LYS C C 13 177.5 . . . . . . . . 75 K C . 27621 1 408 . 1 1 75 75 LYS CA C 13 59.6 . . . . . . . . 75 K CA . 27621 1 409 . 1 1 75 75 LYS CB C 13 32.43 . . . . . . . . 75 K CB . 27621 1 410 . 1 1 75 75 LYS N N 15 121 . . . . . . . . 75 K N . 27621 1 411 . 1 1 76 76 ILE H H 1 8.466 . . . . . . . . 76 I H . 27621 1 412 . 1 1 76 76 ILE C C 13 174.9 . . . . . . . . 76 I C . 27621 1 413 . 1 1 76 76 ILE CA C 13 59.96 . . . . . . . . 76 I CA . 27621 1 414 . 1 1 76 76 ILE CB C 13 37.51 . . . . . . . . 76 I CB . 27621 1 415 . 1 1 76 76 ILE N N 15 119.4 . . . . . . . . 76 I N . 27621 1 416 . 1 1 77 77 TRP C C 13 177.4 . . . . . . . . 77 W C . 27621 1 417 . 1 1 77 77 TRP CA C 13 62.89 . . . . . . . . 77 W CA . 27621 1 418 . 1 1 77 77 TRP CB C 13 28.21 . . . . . . . . 77 W CB . 27621 1 419 . 1 1 78 78 PHE H H 1 9.058 . . . . . . . . 78 F H . 27621 1 420 . 1 1 78 78 PHE C C 13 175.3 . . . . . . . . 78 F C . 27621 1 421 . 1 1 78 78 PHE CA C 13 59.2 . . . . . . . . 78 F CA . 27621 1 422 . 1 1 78 78 PHE CB C 13 38.88 . . . . . . . . 78 F CB . 27621 1 423 . 1 1 78 78 PHE N N 15 119 . . . . . . . . 78 F N . 27621 1 424 . 1 1 79 79 GLN H H 1 8.265 . . . . . . . . 79 Q H . 27621 1 425 . 1 1 79 79 GLN HE21 H 1 7.564 . . . . . . . . 79 Q HE21 . 27621 1 426 . 1 1 79 79 GLN HE22 H 1 6.921 . . . . . . . . 79 Q HE22 . 27621 1 427 . 1 1 79 79 GLN C C 13 176.4 . . . . . . . . 79 Q C . 27621 1 428 . 1 1 79 79 GLN CA C 13 59.01 . . . . . . . . 79 Q CA . 27621 1 429 . 1 1 79 79 GLN CB C 13 27.78 . . . . . . . . 79 Q CB . 27621 1 430 . 1 1 79 79 GLN CG C 13 33.09 . . . . . . . . 79 Q CG . 27621 1 431 . 1 1 79 79 GLN N N 15 119 . . . . . . . . 79 Q N . 27621 1 432 . 1 1 79 79 GLN NE2 N 15 111.2 . . . . . . . . 79 Q NE2 . 27621 1 433 . 1 1 80 80 ASN H H 1 8.268 . . . . . . . . 80 N H . 27621 1 434 . 1 1 80 80 ASN HD21 H 1 7.394 . . . . . . . . 80 N HD21 . 27621 1 435 . 1 1 80 80 ASN HD22 H 1 6.916 . . . . . . . . 80 N HD22 . 27621 1 436 . 1 1 80 80 ASN C C 13 175.1 . . . . . . . . 80 N C . 27621 1 437 . 1 1 80 80 ASN CA C 13 55.13 . . . . . . . . 80 N CA . 27621 1 438 . 1 1 80 80 ASN CB C 13 37.14 . . . . . . . . 80 N CB . 27621 1 439 . 1 1 80 80 ASN N N 15 118.5 . . . . . . . . 80 N N . 27621 1 440 . 1 1 80 80 ASN ND2 N 15 112.4 . . . . . . . . 80 N ND2 . 27621 1 441 . 1 1 81 81 ARG H H 1 8.36 . . . . . . . . 81 R H . 27621 1 442 . 1 1 81 81 ARG C C 13 176.9 . . . . . . . . 81 R C . 27621 1 443 . 1 1 81 81 ARG CA C 13 56.13 . . . . . . . . 81 R CA . 27621 1 444 . 1 1 81 81 ARG CB C 13 27.62 . . . . . . . . 81 R CB . 27621 1 445 . 1 1 81 81 ARG N N 15 123.6 . . . . . . . . 81 R N . 27621 1 446 . 1 1 82 82 ARG C C 13 176 . . . . . . . . 82 R C . 27621 1 447 . 1 1 82 82 ARG CA C 13 60.06 . . . . . . . . 82 R CA . 27621 1 448 . 1 1 82 82 ARG CB C 13 30.61 . . . . . . . . 82 R CB . 27621 1 449 . 1 1 83 83 MET H H 1 7.552 . . . . . . . . 83 M H . 27621 1 450 . 1 1 83 83 MET C C 13 175.5 . . . . . . . . 83 M C . 27621 1 451 . 1 1 83 83 MET CA C 13 57.76 . . . . . . . . 83 M CA . 27621 1 452 . 1 1 83 83 MET CB C 13 31.21 . . . . . . . . 83 M CB . 27621 1 453 . 1 1 83 83 MET N N 15 118.9 . . . . . . . . 83 M N . 27621 1 454 . 1 1 84 84 LYS H H 1 7.552 . . . . . . . . 84 K H . 27621 1 455 . 1 1 84 84 LYS C C 13 174.6 . . . . . . . . 84 K C . 27621 1 456 . 1 1 84 84 LYS CA C 13 57.97 . . . . . . . . 84 K CA . 27621 1 457 . 1 1 84 84 LYS CB C 13 31.86 . . . . . . . . 84 K CB . 27621 1 458 . 1 1 84 84 LYS N N 15 120.6 . . . . . . . . 84 K N . 27621 1 459 . 1 1 85 85 TRP H H 1 8.167 . . . . . . . . 85 W H . 27621 1 460 . 1 1 85 85 TRP C C 13 176.3 . . . . . . . . 85 W C . 27621 1 461 . 1 1 85 85 TRP CA C 13 55.91 . . . . . . . . 85 W CA . 27621 1 462 . 1 1 85 85 TRP CB C 13 28.25 . . . . . . . . 85 W CB . 27621 1 463 . 1 1 85 85 TRP N N 15 120.3 . . . . . . . . 85 W N . 27621 1 464 . 1 1 86 86 LYS H H 1 8.221 . . . . . . . . 86 K H . 27621 1 465 . 1 1 86 86 LYS C C 13 175.4 . . . . . . . . 86 K C . 27621 1 466 . 1 1 86 86 LYS CA C 13 56.65 . . . . . . . . 86 K CA . 27621 1 467 . 1 1 86 86 LYS CB C 13 31.41 . . . . . . . . 86 K CB . 27621 1 468 . 1 1 86 86 LYS N N 15 119.2 . . . . . . . . 86 K N . 27621 1 469 . 1 1 87 87 LYS H H 1 7.66 . . . . . . . . 87 K H . 27621 1 470 . 1 1 87 87 LYS C C 13 174.7 . . . . . . . . 87 K C . 27621 1 471 . 1 1 87 87 LYS CA C 13 57.4 . . . . . . . . 87 K CA . 27621 1 472 . 1 1 87 87 LYS CB C 13 32.06 . . . . . . . . 87 K CB . 27621 1 473 . 1 1 87 87 LYS CG C 13 23.98 . . . . . . . . 87 K CG . 27621 1 474 . 1 1 87 87 LYS CD C 13 28.37 . . . . . . . . 87 K CD . 27621 1 475 . 1 1 87 87 LYS N N 15 119.1 . . . . . . . . 87 K N . 27621 1 476 . 1 1 88 88 ASP H H 1 8.202 . . . . . . . . 88 D H . 27621 1 477 . 1 1 88 88 ASP C C 13 173.5 . . . . . . . . 88 D C . 27621 1 478 . 1 1 88 88 ASP CA C 13 54.21 . . . . . . . . 88 D CA . 27621 1 479 . 1 1 88 88 ASP CB C 13 40.78 . . . . . . . . 88 D CB . 27621 1 480 . 1 1 88 88 ASP N N 15 117.9 . . . . . . . . 88 D N . 27621 1 481 . 1 1 89 89 ASN H H 1 8.039 . . . . . . . . 89 N H . 27621 1 482 . 1 1 89 89 ASN HD21 H 1 7.109 . . . . . . . . 89 N HD21 . 27621 1 483 . 1 1 89 89 ASN HD22 H 1 6.531 . . . . . . . . 89 N HD22 . 27621 1 484 . 1 1 89 89 ASN C C 13 170.8 . . . . . . . . 89 N C . 27621 1 485 . 1 1 89 89 ASN CA C 13 52.87 . . . . . . . . 89 N CA . 27621 1 486 . 1 1 89 89 ASN CB C 13 37.83 . . . . . . . . 89 N CB . 27621 1 487 . 1 1 89 89 ASN N N 15 118.2 . . . . . . . . 89 N N . 27621 1 488 . 1 1 89 89 ASN ND2 N 15 112.7 . . . . . . . . 89 N ND2 . 27621 1 489 . 1 1 90 90 LYS H H 1 7.46 . . . . . . . . 90 K H . 27621 1 490 . 1 1 90 90 LYS C C 13 178.6 . . . . . . . . 90 K C . 27621 1 491 . 1 1 90 90 LYS CA C 13 57.27 . . . . . . . . 90 K CA . 27621 1 492 . 1 1 90 90 LYS CB C 13 33.21 . . . . . . . . 90 K CB . 27621 1 493 . 1 1 90 90 LYS N N 15 123.6 . . . . . . . . 90 K N . 27621 1 stop_ save_