data_26327 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26327 _Entry.Title ; Tid1 JD refine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-02-07 _Entry.Accession_date 2022-02-16 _Entry.Last_release_date 2022-02-16 _Entry.Original_release_date 2022-02-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jinhwa Jang . . . . 26327 2 Sung-hee Lee . . . . 26327 3 Dong-Hoon Kang . . . . 26327 4 Ji-Hun Kim . . . . 26327 5 Dae-Won Sim . . . . 26327 6 Kyu-Sung Jo . . . . 26327 7 Hyung-Sik Won . . . . 26327 8 Kyung-Suk Ryu . . . . 26327 9 Eun-Hee Kim . . . . 26327 10 Hyojung Ryu . . . . 26327 11 Jin-Hyeok Lee . . . . 26327 12 Jin-Hyeok Lee . . . . 26327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 26327 '15N chemical shifts' 67 26327 '1H chemical shifts' 327 26327 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 . . 2026-06-06 . original BMRB . 26327 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26327 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural studies on the J-domain and GF-motif of the mitochondrial Hsp40, Tid1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Jinhwa Jang . . . . 26327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 26327 _Assembly.ID 1 _Assembly.Name 'Tid1 JD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 J-domain 1 $entity_1 . . yes native no no . . . 26327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HMLAKEDYYQILGVPRNASQ KEIKKAYYQLAKKYHPDTNK DDPKAKEKFSQLAEAYEVLS DEVKRKQYDAYGS ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HIS . 26327 1 2 2 MET . 26327 1 3 3 LEU . 26327 1 4 4 ALA . 26327 1 5 5 LYS . 26327 1 6 6 GLU . 26327 1 7 7 ASP . 26327 1 8 8 TYR . 26327 1 9 9 TYR . 26327 1 10 10 GLN . 26327 1 11 11 ILE . 26327 1 12 12 LEU . 26327 1 13 13 GLY . 26327 1 14 14 VAL . 26327 1 15 15 PRO . 26327 1 16 16 ARG . 26327 1 17 17 ASN . 26327 1 18 18 ALA . 26327 1 19 19 SER . 26327 1 20 20 GLN . 26327 1 21 21 LYS . 26327 1 22 22 GLU . 26327 1 23 23 ILE . 26327 1 24 24 LYS . 26327 1 25 25 LYS . 26327 1 26 26 ALA . 26327 1 27 27 TYR . 26327 1 28 28 TYR . 26327 1 29 29 GLN . 26327 1 30 30 LEU . 26327 1 31 31 ALA . 26327 1 32 32 LYS . 26327 1 33 33 LYS . 26327 1 34 34 TYR . 26327 1 35 35 HIS . 26327 1 36 36 PRO . 26327 1 37 37 ASP . 26327 1 38 38 THR . 26327 1 39 39 ASN . 26327 1 40 40 LYS . 26327 1 41 41 ASP . 26327 1 42 42 ASP . 26327 1 43 43 PRO . 26327 1 44 44 LYS . 26327 1 45 45 ALA . 26327 1 46 46 LYS . 26327 1 47 47 GLU . 26327 1 48 48 LYS . 26327 1 49 49 PHE . 26327 1 50 50 SER . 26327 1 51 51 GLN . 26327 1 52 52 LEU . 26327 1 53 53 ALA . 26327 1 54 54 GLU . 26327 1 55 55 ALA . 26327 1 56 56 TYR . 26327 1 57 57 GLU . 26327 1 58 58 VAL . 26327 1 59 59 LEU . 26327 1 60 60 SER . 26327 1 61 61 ASP . 26327 1 62 62 GLU . 26327 1 63 63 VAL . 26327 1 64 64 LYS . 26327 1 65 65 ARG . 26327 1 66 66 LYS . 26327 1 67 67 GLN . 26327 1 68 68 TYR . 26327 1 69 69 ASP . 26327 1 70 70 ALA . 26327 1 71 71 TYR . 26327 1 72 72 GLY . 26327 1 73 73 SER . 26327 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 . HIS 1 1 26327 1 . MET 2 2 26327 1 . LEU 3 3 26327 1 . ALA 4 4 26327 1 . LYS 5 5 26327 1 . GLU 6 6 26327 1 . ASP 7 7 26327 1 . TYR 8 8 26327 1 . TYR 9 9 26327 1 . GLN 10 10 26327 1 . ILE 11 11 26327 1 . LEU 12 12 26327 1 . GLY 13 13 26327 1 . VAL 14 14 26327 1 . PRO 15 15 26327 1 . ARG 16 16 26327 1 . ASN 17 17 26327 1 . ALA 18 18 26327 1 . SER 19 19 26327 1 . GLN 20 20 26327 1 . LYS 21 21 26327 1 . GLU 22 22 26327 1 . ILE 23 23 26327 1 . LYS 24 24 26327 1 . LYS 25 25 26327 1 . ALA 26 26 26327 1 . TYR 27 27 26327 1 . TYR 28 28 26327 1 . GLN 29 29 26327 1 . LEU 30 30 26327 1 . ALA 31 31 26327 1 . LYS 32 32 26327 1 . LYS 33 33 26327 1 . TYR 34 34 26327 1 . HIS 35 35 26327 1 . PRO 36 36 26327 1 . ASP 37 37 26327 1 . THR 38 38 26327 1 . ASN 39 39 26327 1 . LYS 40 40 26327 1 . ASP 41 41 26327 1 . ASP 42 42 26327 1 . PRO 43 43 26327 1 . LYS 44 44 26327 1 . ALA 45 45 26327 1 . LYS 46 46 26327 1 . GLU 47 47 26327 1 . LYS 48 48 26327 1 . PHE 49 49 26327 1 . SER 50 50 26327 1 . GLN 51 51 26327 1 . LEU 52 52 26327 1 . ALA 53 53 26327 1 . GLU 54 54 26327 1 . ALA 55 55 26327 1 . TYR 56 56 26327 1 . GLU 57 57 26327 1 . VAL 58 58 26327 1 . LEU 59 59 26327 1 . SER 60 60 26327 1 . ASP 61 61 26327 1 . GLU 62 62 26327 1 . VAL 63 63 26327 1 . LYS 64 64 26327 1 . ARG 65 65 26327 1 . LYS 66 66 26327 1 . GLN 67 67 26327 1 . TYR 68 68 26327 1 . ASP 69 69 26327 1 . ALA 70 70 26327 1 . TYR 71 71 26327 1 . GLY 72 72 26327 1 . SER 73 73 26327 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 26327 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26327 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 26327 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'purified from the natural source' 'Escherichia coli' 'E. coli' . 562 . . . . . . . . . . . . 26327 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26327 _Sample.ID 1 _Sample.Name 'Tid1 JD' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Tid1-JD '[U-13C; U-15N]' 1 $assembly_1 1 $entity_1 . protein 200 . . uM . . . . 26327 1 2 TRIS 'natural abundance' . . . . . buffer 20 . . mM . . . . 26327 1 3 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 26327 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 26327 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 26327 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 26327 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 26327 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Tid1 JD' _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' 150 . mM 26327 1 pH 8.0 . pH 26327 1 pressure 1 . atm 26327 1 temperature 298 . K 26327 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26327 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 26327 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 26327 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26327 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 26327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '800 MHz NMR' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 26327 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 900' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '900 MHz NMR' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 26327 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26327 1 2 '3D 1H-13C NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26327 1 3 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26327 1 4 '3D CCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26327 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 26327 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Tid1 JD' _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 internal indirect 0.251449530 . . . . . 26327 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26327 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 26327 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 26327 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Tid1 JD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26327 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 26327 1 3 '3D HCCH-TOCSY' 1 $sample_1 isotropic 26327 1 4 '3D CCH-TOCSY' 1 $sample_1 isotropic 26327 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 2 $software_2 . . 26327 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 LEU H H 1 8.5044 0.0000 . 1 . . . . . 3 LEU H . 26327 1 2 . 1 . 1 3 3 LEU HA H 1 4.2892 0.0000 . 1 . . . . . 3 LEU HA . 26327 1 3 . 1 . 1 3 3 LEU HB2 H 1 1.5147 0.0000 . 2 . . . . . 3 LEU HB2 . 26327 1 4 . 1 . 1 3 3 LEU HD11 H 1 0.8357 0.0000 . 2 . . . . . 3 LEU HD11 . 26327 1 5 . 1 . 1 3 3 LEU HD12 H 1 0.8357 0.0000 . 2 . . . . . 3 LEU HD11 . 26327 1 6 . 1 . 1 3 3 LEU HD13 H 1 0.8357 0.0000 . 2 . . . . . 3 LEU HD11 . 26327 1 7 . 1 . 1 3 3 LEU HD21 H 1 0.7899 0.0000 . 2 . . . . . 3 LEU HD21 . 26327 1 8 . 1 . 1 3 3 LEU HD22 H 1 0.7899 0.0000 . 2 . . . . . 3 LEU HD21 . 26327 1 9 . 1 . 1 3 3 LEU HD23 H 1 0.7899 0.0000 . 2 . . . . . 3 LEU HD21 . 26327 1 10 . 1 . 1 3 3 LEU HG H 1 1.5514 0.0000 . 1 . . . . . 3 LEU HG . 26327 1 11 . 1 . 1 3 3 LEU CA C 13 52.3397 0.0000 . 1 . . . . . 3 LEU CA . 26327 1 12 . 1 . 1 3 3 LEU CB C 13 39.6282 0.0000 . 1 . . . . . 3 LEU CB . 26327 1 13 . 1 . 1 3 3 LEU CD1 C 13 22.0905 0.0000 . 2 . . . . . 3 LEU CD1 . 26327 1 14 . 1 . 1 3 3 LEU CD2 C 13 20.8231 0.0000 . 2 . . . . . 3 LEU CD2 . 26327 1 15 . 1 . 1 3 3 LEU CG C 13 24.1369 0.0000 . 1 . . . . . 3 LEU CG . 26327 1 16 . 1 . 1 3 3 LEU N N 15 124.1700 0.0000 . 1 . . . . . 3 LEU N . 26327 1 17 . 1 . 1 4 4 ALA H H 1 8.2101 0.0000 . 1 . . . . . 4 ALA H . 26327 1 18 . 1 . 1 4 4 ALA HA H 1 4.2242 0.0000 . 1 . . . . . 4 ALA HA . 26327 1 19 . 1 . 1 4 4 ALA HB1 H 1 1.2951 0.0000 . 1 . . . . . 4 ALA HB1 . 26327 1 20 . 1 . 1 4 4 ALA HB2 H 1 1.2951 0.0000 . 1 . . . . . 4 ALA HB1 . 26327 1 21 . 1 . 1 4 4 ALA HB3 H 1 1.2951 0.0000 . 1 . . . . . 4 ALA HB1 . 26327 1 22 . 1 . 1 4 4 ALA CA C 13 49.5972 0.0000 . 1 . . . . . 4 ALA CA . 26327 1 23 . 1 . 1 4 4 ALA CB C 13 16.5898 0.0000 . 1 . . . . . 4 ALA CB . 26327 1 24 . 1 . 1 4 4 ALA N N 15 125.0980 0.0000 . 1 . . . . . 4 ALA N . 26327 1 25 . 1 . 1 5 5 LYS H H 1 8.1700 0.0000 . 1 . . . . . 5 LYS H . 26327 1 26 . 1 . 1 5 5 LYS HA H 1 4.1817 0.0000 . 1 . . . . . 5 LYS HA . 26327 1 27 . 1 . 1 5 5 LYS HB2 H 1 1.6604 0.0000 . 2 . . . . . 5 LYS HB2 . 26327 1 28 . 1 . 1 5 5 LYS CA C 13 53.7344 0.0000 . 1 . . . . . 5 LYS CA . 26327 1 29 . 1 . 1 5 5 LYS CB C 13 30.2969 0.0000 . 1 . . . . . 5 LYS CB . 26327 1 30 . 1 . 1 5 5 LYS CD C 13 26.1953 0.0000 . 1 . . . . . 5 LYS CD . 26327 1 31 . 1 . 1 5 5 LYS CE C 13 39.6719 0.0000 . 1 . . . . . 5 LYS CE . 26327 1 32 . 1 . 1 5 5 LYS CG C 13 22.0938 0.0000 . 1 . . . . . 5 LYS CG . 26327 1 33 . 1 . 1 5 5 LYS N N 15 120.5689 0.0000 . 1 . . . . . 5 LYS N . 26327 1 34 . 1 . 1 6 6 GLU H H 1 8.1628 0.0000 . 1 . . . . . 6 GLU H . 26327 1 35 . 1 . 1 6 6 GLU HA H 1 4.2189 0.0000 . 1 . . . . . 6 GLU HA . 26327 1 36 . 1 . 1 6 6 GLU HB2 H 1 1.7255 0.0000 . 2 . . . . . 6 GLU HB2 . 26327 1 37 . 1 . 1 6 6 GLU CA C 13 53.3980 0.0000 . 1 . . . . . 6 GLU CA . 26327 1 38 . 1 . 1 6 6 GLU CB C 13 28.4188 0.0000 . 1 . . . . . 6 GLU CB . 26327 1 39 . 1 . 1 6 6 GLU CG C 13 33.8228 0.0000 . 1 . . . . . 6 GLU CG . 26327 1 40 . 1 . 1 6 6 GLU N N 15 121.3806 0.0000 . 1 . . . . . 6 GLU N . 26327 1 41 . 1 . 1 7 7 ASP H H 1 8.4463 0.0000 . 1 . . . . . 7 ASP H . 26327 1 42 . 1 . 1 7 7 ASP HA H 1 4.4701 0.0000 . 1 . . . . . 7 ASP HA . 26327 1 43 . 1 . 1 7 7 ASP HB2 H 1 2.7358 0.0000 . 2 . . . . . 7 ASP HB2 . 26327 1 44 . 1 . 1 7 7 ASP CA C 13 50.4403 0.0000 . 1 . . . . . 7 ASP CA . 26327 1 45 . 1 . 1 7 7 ASP CB C 13 39.2186 0.0000 . 1 . . . . . 7 ASP CB . 26327 1 46 . 1 . 1 7 7 ASP N N 15 122.1000 0.0000 . 1 . . . . . 7 ASP N . 26327 1 47 . 1 . 1 8 8 TYR H H 1 7.7477 0.0000 . 1 . . . . . 8 TYR H . 26327 1 48 . 1 . 1 8 8 TYR HA H 1 4.2846 0.0000 . 1 . . . . . 8 TYR HA . 26327 1 49 . 1 . 1 8 8 TYR HB2 H 1 2.0418 0.0000 . 2 . . . . . 8 TYR HB2 . 26327 1 50 . 1 . 1 8 8 TYR CA C 13 55.3113 0.0000 . 1 . . . . . 8 TYR CA . 26327 1 51 . 1 . 1 8 8 TYR CB C 13 35.0439 0.0000 . 1 . . . . . 8 TYR CB . 26327 1 52 . 1 . 1 8 8 TYR N N 15 120.4070 0.0000 . 1 . . . . . 8 TYR N . 26327 1 53 . 1 . 1 9 9 TYR H H 1 7.8315 0.0000 . 1 . . . . . 9 TYR H . 26327 1 54 . 1 . 1 9 9 TYR HA H 1 3.8412 0.0000 . 1 . . . . . 9 TYR HA . 26327 1 55 . 1 . 1 9 9 TYR HB2 H 1 3.0589 0.0000 . 2 . . . . . 9 TYR HB2 . 26327 1 56 . 1 . 1 9 9 TYR CA C 13 59.8740 0.0000 . 1 . . . . . 9 TYR CA . 26327 1 57 . 1 . 1 9 9 TYR CB C 13 33.1694 0.0000 . 1 . . . . . 9 TYR CB . 26327 1 58 . 1 . 1 9 9 TYR N N 15 116.6362 0.0000 . 1 . . . . . 9 TYR N . 26327 1 59 . 1 . 1 10 10 GLN H H 1 7.9948 0.0000 . 1 . . . . . 10 GLN H . 26327 1 60 . 1 . 1 10 10 GLN HA H 1 4.0656 0.0000 . 1 . . . . . 10 GLN HA . 26327 1 61 . 1 . 1 10 10 GLN HB2 H 1 2.1554 0.0000 . 2 . . . . . 10 GLN HB2 . 26327 1 62 . 1 . 1 10 10 GLN HE21 H 1 7.5485 0.0000 . 2 . . . . . 10 GLN HE21 . 26327 1 63 . 1 . 1 10 10 GLN HE22 H 1 6.7533 0.0000 . 2 . . . . . 10 GLN HE22 . 26327 1 64 . 1 . 1 10 10 GLN HG2 H 1 2.3593 0.0000 . 2 . . . . . 10 GLN HG2 . 26327 1 65 . 1 . 1 10 10 GLN CA C 13 56.0291 0.0000 . 1 . . . . . 10 GLN CA . 26327 1 66 . 1 . 1 10 10 GLN CB C 13 25.9459 0.0000 . 1 . . . . . 10 GLN CB . 26327 1 67 . 1 . 1 10 10 GLN CG C 13 31.4886 0.0000 . 1 . . . . . 10 GLN CG . 26327 1 68 . 1 . 1 10 10 GLN N N 15 119.4285 0.0000 . 1 . . . . . 10 GLN N . 26327 1 69 . 1 . 1 11 11 ILE H H 1 8.0688 0.0000 . 1 . . . . . 11 ILE H . 26327 1 70 . 1 . 1 11 11 ILE HA H 1 3.6347 0.0000 . 1 . . . . . 11 ILE HA . 26327 1 71 . 1 . 1 11 11 ILE HB H 1 1.8575 0.0000 . 1 . . . . . 11 ILE HB . 26327 1 72 . 1 . 1 11 11 ILE HD11 H 1 0.7651 0.0000 . 1 . . . . . 11 ILE HD11 . 26327 1 73 . 1 . 1 11 11 ILE HD12 H 1 0.7651 0.0000 . 1 . . . . . 11 ILE HD11 . 26327 1 74 . 1 . 1 11 11 ILE HD13 H 1 0.7651 0.0000 . 1 . . . . . 11 ILE HD11 . 26327 1 75 . 1 . 1 11 11 ILE HG12 H 1 1.0956 0.0000 . 2 . . . . . 11 ILE HG12 . 26327 1 76 . 1 . 1 11 11 ILE HG21 H 1 0.7713 0.0000 . 1 . . . . . 11 ILE HG21 . 26327 1 77 . 1 . 1 11 11 ILE HG22 H 1 0.7713 0.0000 . 1 . . . . . 11 ILE HG21 . 26327 1 78 . 1 . 1 11 11 ILE HG23 H 1 0.7713 0.0000 . 1 . . . . . 11 ILE HG21 . 26327 1 79 . 1 . 1 11 11 ILE CA C 13 61.9554 0.0000 . 1 . . . . . 11 ILE CA . 26327 1 80 . 1 . 1 11 11 ILE CB C 13 35.0292 0.0000 . 1 . . . . . 11 ILE CB . 26327 1 81 . 1 . 1 11 11 ILE CD1 C 13 10.9610 0.0000 . 1 . . . . . 11 ILE CD1 . 26327 1 82 . 1 . 1 11 11 ILE CG1 C 13 26.4246 0.0000 . 1 . . . . . 11 ILE CG1 . 26327 1 83 . 1 . 1 11 11 ILE CG2 C 13 14.7786 0.0000 . 1 . . . . . 11 ILE CG2 . 26327 1 84 . 1 . 1 11 11 ILE N N 15 120.5982 0.0000 . 1 . . . . . 11 ILE N . 26327 1 85 . 1 . 1 12 12 LEU H H 1 7.0768 0.0000 . 1 . . . . . 12 LEU H . 26327 1 86 . 1 . 1 12 12 LEU HA H 1 4.1374 0.0000 . 1 . . . . . 12 LEU HA . 26327 1 87 . 1 . 1 12 12 LEU HB2 H 1 1.5407 0.0000 . 2 . . . . . 12 LEU HB2 . 26327 1 88 . 1 . 1 12 12 LEU HD11 H 1 0.9235 0.0000 . 2 . . . . . 12 LEU HD11 . 26327 1 89 . 1 . 1 12 12 LEU HD12 H 1 0.9235 0.0000 . 2 . . . . . 12 LEU HD11 . 26327 1 90 . 1 . 1 12 12 LEU HD13 H 1 0.9235 0.0000 . 2 . . . . . 12 LEU HD11 . 26327 1 91 . 1 . 1 12 12 LEU HD21 H 1 0.7947 0.0000 . 2 . . . . . 12 LEU HD21 . 26327 1 92 . 1 . 1 12 12 LEU HD22 H 1 0.7947 0.0000 . 2 . . . . . 12 LEU HD21 . 26327 1 93 . 1 . 1 12 12 LEU HD23 H 1 0.7947 0.0000 . 2 . . . . . 12 LEU HD21 . 26327 1 94 . 1 . 1 12 12 LEU HG H 1 1.6860 0.0000 . 1 . . . . . 12 LEU HG . 26327 1 95 . 1 . 1 12 12 LEU CA C 13 52.4970 0.0000 . 1 . . . . . 12 LEU CA . 26327 1 96 . 1 . 1 12 12 LEU CB C 13 40.2337 0.0000 . 1 . . . . . 12 LEU CB . 26327 1 97 . 1 . 1 12 12 LEU CD1 C 13 21.5078 0.0000 . 2 . . . . . 12 LEU CD1 . 26327 1 98 . 1 . 1 12 12 LEU CD2 C 13 23.8516 0.0000 . 2 . . . . . 12 LEU CD2 . 26327 1 99 . 1 . 1 12 12 LEU CG C 13 24.3358 0.0000 . 1 . . . . . 12 LEU CG . 26327 1 100 . 1 . 1 12 12 LEU N N 15 116.0194 0.0000 . 1 . . . . . 12 LEU N . 26327 1 101 . 1 . 1 13 13 GLY H H 1 7.8733 0.0000 . 1 . . . . . 13 GLY H . 26327 1 102 . 1 . 1 13 13 GLY HA2 H 1 3.8157 0.0000 . 2 . . . . . 13 GLY HA2 . 26327 1 103 . 1 . 1 13 13 GLY CA C 13 43.9024 0.0000 . 1 . . . . . 13 GLY CA . 26327 1 104 . 1 . 1 13 13 GLY N N 15 108.4043 0.0000 . 1 . . . . . 13 GLY N . 26327 1 105 . 1 . 1 14 14 VAL H H 1 7.8145 0.0000 . 1 . . . . . 14 VAL H . 26327 1 106 . 1 . 1 14 14 VAL HA H 1 4.9288 0.0000 . 1 . . . . . 14 VAL HA . 26327 1 107 . 1 . 1 14 14 VAL HB H 1 2.1372 0.0000 . 1 . . . . . 14 VAL HB . 26327 1 108 . 1 . 1 14 14 VAL HG11 H 1 0.9162 0.0000 . 2 . . . . . 14 VAL HG11 . 26327 1 109 . 1 . 1 14 14 VAL HG12 H 1 0.9162 0.0000 . 2 . . . . . 14 VAL HG11 . 26327 1 110 . 1 . 1 14 14 VAL HG13 H 1 0.9162 0.0000 . 2 . . . . . 14 VAL HG11 . 26327 1 111 . 1 . 1 14 14 VAL HG21 H 1 0.7694 0.0000 . 2 . . . . . 14 VAL HG21 . 26327 1 112 . 1 . 1 14 14 VAL HG22 H 1 0.7694 0.0000 . 2 . . . . . 14 VAL HG21 . 26327 1 113 . 1 . 1 14 14 VAL HG23 H 1 0.7694 0.0000 . 2 . . . . . 14 VAL HG21 . 26327 1 114 . 1 . 1 14 14 VAL CA C 13 54.1856 0.0000 . 1 . . . . . 14 VAL CA . 26327 1 115 . 1 . 1 14 14 VAL CB C 13 30.0686 0.0000 . 1 . . . . . 14 VAL CB . 26327 1 116 . 1 . 1 14 14 VAL CG1 C 13 17.7372 0.0000 . 2 . . . . . 14 VAL CG1 . 26327 1 117 . 1 . 1 14 14 VAL CG2 C 13 18.3200 0.0000 . 2 . . . . . 14 VAL CG2 . 26327 1 118 . 1 . 1 14 14 VAL N N 15 110.8630 0.0000 . 1 . . . . . 14 VAL N . 26327 1 119 . 1 . 1 15 15 PRO HA H 1 4.4294 0.0000 . 1 . . . . . 15 PRO HA . 26327 1 120 . 1 . 1 15 15 PRO HB2 H 1 1.9114 0.0000 . 2 . . . . . 15 PRO HB2 . 26327 1 121 . 1 . 1 15 15 PRO HD2 H 1 3.5916 0.0000 . 2 . . . . . 15 PRO HD2 . 26327 1 122 . 1 . 1 15 15 PRO HG2 H 1 1.8415 0.0000 . 2 . . . . . 15 PRO HG2 . 26327 1 123 . 1 . 1 15 15 PRO CA C 13 58.0703 0.0000 . 1 . . . . . 15 PRO CA . 26327 1 124 . 1 . 1 15 15 PRO CB C 13 29.7110 0.0000 . 1 . . . . . 15 PRO CB . 26327 1 125 . 1 . 1 15 15 PRO CD C 13 47.8750 0.0000 . 1 . . . . . 15 PRO CD . 26327 1 126 . 1 . 1 15 15 PRO CG C 13 25.0235 0.0000 . 1 . . . . . 15 PRO CG . 26327 1 127 . 1 . 1 16 16 ARG H H 1 8.0653 0.0000 . 1 . . . . . 16 ARG H . 26327 1 128 . 1 . 1 16 16 ARG HD2 H 1 2.8348 0.0000 . 2 . . . . . 16 ARG HD2 . 26327 1 129 . 1 . 1 16 16 ARG HE H 1 7.2949 0.0000 . 1 . . . . . 16 ARG HE . 26327 1 130 . 1 . 1 16 16 ARG HG2 H 1 1.0939 0.0000 . 2 . . . . . 16 ARG HG2 . 26327 1 131 . 1 . 1 16 16 ARG CA C 13 55.1729 0.0000 . 1 . . . . . 16 ARG CA . 26327 1 132 . 1 . 1 16 16 ARG CB C 13 26.7218 0.0000 . 1 . . . . . 16 ARG CB . 26327 1 133 . 1 . 1 16 16 ARG CD C 13 40.3679 0.0000 . 1 . . . . . 16 ARG CD . 26327 1 134 . 1 . 1 16 16 ARG CG C 13 25.3535 0.0000 . 1 . . . . . 16 ARG CG . 26327 1 135 . 1 . 1 16 16 ARG N N 15 117.1044 0.0000 . 1 . . . . . 16 ARG N . 26327 1 136 . 1 . 1 17 17 ASN H H 1 7.4850 0.0000 . 1 . . . . . 17 ASN H . 26327 1 137 . 1 . 1 17 17 ASN HA H 1 4.5955 0.0000 . 1 . . . . . 17 ASN HA . 26327 1 138 . 1 . 1 17 17 ASN HB2 H 1 2.5451 0.0000 . 2 . . . . . 17 ASN HB2 . 26327 1 139 . 1 . 1 17 17 ASN HD21 H 1 7.4581 0.0000 . 2 . . . . . 17 ASN HD21 . 26327 1 140 . 1 . 1 17 17 ASN HD22 H 1 6.6074 0.0000 . 2 . . . . . 17 ASN HD22 . 26327 1 141 . 1 . 1 17 17 ASN CA C 13 48.4609 0.0000 . 1 . . . . . 17 ASN CA . 26327 1 142 . 1 . 1 17 17 ASN CB C 13 34.3383 0.0000 . 1 . . . . . 17 ASN CB . 26327 1 143 . 1 . 1 17 17 ASN N N 15 112.5580 0.0000 . 1 . . . . . 17 ASN N . 26327 1 144 . 1 . 1 18 18 ALA H H 1 7.4911 0.0000 . 1 . . . . . 18 ALA H . 26327 1 145 . 1 . 1 18 18 ALA HA H 1 4.2167 0.0000 . 1 . . . . . 18 ALA HA . 26327 1 146 . 1 . 1 18 18 ALA HB1 H 1 1.4762 0.0000 . 1 . . . . . 18 ALA HB1 . 26327 1 147 . 1 . 1 18 18 ALA HB2 H 1 1.4762 0.0000 . 1 . . . . . 18 ALA HB1 . 26327 1 148 . 1 . 1 18 18 ALA HB3 H 1 1.4762 0.0000 . 1 . . . . . 18 ALA HB1 . 26327 1 149 . 1 . 1 18 18 ALA CA C 13 50.0142 0.0000 . 1 . . . . . 18 ALA CA . 26327 1 150 . 1 . 1 18 18 ALA CB C 13 16.9542 0.0000 . 1 . . . . . 18 ALA CB . 26327 1 151 . 1 . 1 18 18 ALA N N 15 121.5357 0.0000 . 1 . . . . . 18 ALA N . 26327 1 152 . 1 . 1 19 19 SER H H 1 8.9555 0.0000 . 1 . . . . . 19 SER H . 26327 1 153 . 1 . 1 19 19 SER HA H 1 4.6169 0.0000 . 1 . . . . . 19 SER HA . 26327 1 154 . 1 . 1 19 19 SER HB2 H 1 4.0764 0.0000 . 2 . . . . . 19 SER HB2 . 26327 1 155 . 1 . 1 19 19 SER CA C 13 54.0273 0.0000 . 1 . . . . . 19 SER CA . 26327 1 156 . 1 . 1 19 19 SER CB C 13 63.1093 0.0000 . 1 . . . . . 19 SER CB . 26327 1 157 . 1 . 1 19 19 SER N N 15 117.9173 0.0000 . 1 . . . . . 19 SER N . 26327 1 158 . 1 . 1 20 20 GLN H H 1 8.9708 0.0000 . 1 . . . . . 20 GLN H . 26327 1 159 . 1 . 1 20 20 GLN HA H 1 4.0363 0.0000 . 1 . . . . . 20 GLN HA . 26327 1 160 . 1 . 1 20 20 GLN HB2 H 1 2.0674 0.0000 . 2 . . . . . 20 GLN HB2 . 26327 1 161 . 1 . 1 20 20 GLN HE21 H 1 7.6224 0.0000 . 2 . . . . . 20 GLN HE21 . 26327 1 162 . 1 . 1 20 20 GLN HE22 H 1 7.4607 0.0000 . 2 . . . . . 20 GLN HE22 . 26327 1 163 . 1 . 1 20 20 GLN HG2 H 1 2.3902 0.0000 . 2 . . . . . 20 GLN HG2 . 26327 1 164 . 1 . 1 20 20 GLN CA C 13 56.6640 0.0000 . 1 . . . . . 20 GLN CA . 26327 1 165 . 1 . 1 20 20 GLN CB C 13 25.0235 0.0000 . 1 . . . . . 20 GLN CB . 26327 1 166 . 1 . 1 20 20 GLN CG C 13 30.8828 0.0000 . 1 . . . . . 20 GLN CG . 26327 1 167 . 1 . 1 20 20 GLN N N 15 119.7214 0.0000 . 1 . . . . . 20 GLN N . 26327 1 168 . 1 . 1 21 21 LYS H H 1 8.2721 0.0000 . 1 . . . . . 21 LYS H . 26327 1 169 . 1 . 1 21 21 LYS HA H 1 4.0190 0.0000 . 1 . . . . . 21 LYS HA . 26327 1 170 . 1 . 1 21 21 LYS HB2 H 1 1.7734 0.0000 . 2 . . . . . 21 LYS HB2 . 26327 1 171 . 1 . 1 21 21 LYS CA C 13 57.2500 0.0000 . 1 . . . . . 21 LYS CA . 26327 1 172 . 1 . 1 21 21 LYS CB C 13 29.6099 0.0000 . 1 . . . . . 21 LYS CB . 26327 1 173 . 1 . 1 21 21 LYS CE C 13 39.3954 0.0000 . 1 . . . . . 21 LYS CE . 26327 1 174 . 1 . 1 21 21 LYS N N 15 119.2710 0.0000 . 1 . . . . . 21 LYS N . 26327 1 175 . 1 . 1 22 22 GLU H H 1 7.7025 0.0000 . 1 . . . . . 22 GLU H . 26327 1 176 . 1 . 1 22 22 GLU HA H 1 3.9687 0.0000 . 1 . . . . . 22 GLU HA . 26327 1 177 . 1 . 1 22 22 GLU HB2 H 1 2.0149 0.0000 . 2 . . . . . 22 GLU HB2 . 26327 1 178 . 1 . 1 22 22 GLU CA C 13 56.6640 0.0000 . 1 . . . . . 22 GLU CA . 26327 1 179 . 1 . 1 22 22 GLU CB C 13 27.3672 0.0000 . 1 . . . . . 22 GLU CB . 26327 1 180 . 1 . 1 22 22 GLU CG C 13 34.6161 0.0000 . 1 . . . . . 22 GLU CG . 26327 1 181 . 1 . 1 22 22 GLU N N 15 120.6821 0.0000 . 1 . . . . . 22 GLU N . 26327 1 182 . 1 . 1 23 23 ILE H H 1 8.1046 0.0000 . 1 . . . . . 23 ILE H . 26327 1 183 . 1 . 1 23 23 ILE HA H 1 3.5471 0.0000 . 1 . . . . . 23 ILE HA . 26327 1 184 . 1 . 1 23 23 ILE HD11 H 1 0.6801 0.0000 . 1 . . . . . 23 ILE HD11 . 26327 1 185 . 1 . 1 23 23 ILE HD12 H 1 0.6801 0.0000 . 1 . . . . . 23 ILE HD11 . 26327 1 186 . 1 . 1 23 23 ILE HD13 H 1 0.6801 0.0000 . 1 . . . . . 23 ILE HD11 . 26327 1 187 . 1 . 1 23 23 ILE HG12 H 1 0.8366 0.0000 . 2 . . . . . 23 ILE HG12 . 26327 1 188 . 1 . 1 23 23 ILE HG21 H 1 0.7672 0.0000 . 1 . . . . . 23 ILE HG21 . 26327 1 189 . 1 . 1 23 23 ILE HG22 H 1 0.7672 0.0000 . 1 . . . . . 23 ILE HG21 . 26327 1 190 . 1 . 1 23 23 ILE HG23 H 1 0.7672 0.0000 . 1 . . . . . 23 ILE HG21 . 26327 1 191 . 1 . 1 23 23 ILE CA C 13 63.5315 0.0000 . 1 . . . . . 23 ILE CA . 26327 1 192 . 1 . 1 23 23 ILE CB C 13 35.6430 0.0000 . 1 . . . . . 23 ILE CB . 26327 1 193 . 1 . 1 23 23 ILE CD1 C 13 10.9610 0.0000 . 1 . . . . . 23 ILE CD1 . 26327 1 194 . 1 . 1 23 23 ILE CG1 C 13 28.5941 0.0000 . 1 . . . . . 23 ILE CG1 . 26327 1 195 . 1 . 1 23 23 ILE CG2 C 13 14.2087 0.0000 . 1 . . . . . 23 ILE CG2 . 26327 1 196 . 1 . 1 23 23 ILE N N 15 122.3938 0.0000 . 1 . . . . . 23 ILE N . 26327 1 197 . 1 . 1 24 24 LYS H H 1 8.1321 0.0000 . 1 . . . . . 24 LYS H . 26327 1 198 . 1 . 1 24 24 LYS HA H 1 4.1076 0.0000 . 1 . . . . . 24 LYS HA . 26327 1 199 . 1 . 1 24 24 LYS HB2 H 1 1.9744 0.0000 . 2 . . . . . 24 LYS HB2 . 26327 1 200 . 1 . 1 24 24 LYS HG2 H 1 1.5463 0.0000 . 2 . . . . . 24 LYS HG2 . 26327 1 201 . 1 . 1 24 24 LYS CA C 13 57.9361 0.0000 . 1 . . . . . 24 LYS CA . 26327 1 202 . 1 . 1 24 24 LYS CB C 13 30.0658 0.0000 . 1 . . . . . 24 LYS CB . 26327 1 203 . 1 . 1 24 24 LYS CD C 13 27.2004 0.0000 . 1 . . . . . 24 LYS CD . 26327 1 204 . 1 . 1 24 24 LYS CE C 13 39.5520 0.0000 . 1 . . . . . 24 LYS CE . 26327 1 205 . 1 . 1 24 24 LYS CG C 13 22.8948 0.0000 . 1 . . . . . 24 LYS CG . 26327 1 206 . 1 . 1 25 25 LYS H H 1 7.8907 0.0000 . 1 . . . . . 25 LYS H . 26327 1 207 . 1 . 1 25 25 LYS HA H 1 4.0045 0.0000 . 1 . . . . . 25 LYS HA . 26327 1 208 . 1 . 1 25 25 LYS HB2 H 1 1.7657 0.0000 . 2 . . . . . 25 LYS HB2 . 26327 1 209 . 1 . 1 25 25 LYS HG2 H 1 1.3522 0.0000 . 2 . . . . . 25 LYS HG2 . 26327 1 210 . 1 . 1 25 25 LYS CA C 13 57.1022 0.0000 . 1 . . . . . 25 LYS CA . 26327 1 211 . 1 . 1 25 25 LYS CB C 13 29.9477 0.0000 . 1 . . . . . 25 LYS CB . 26327 1 212 . 1 . 1 25 25 LYS CD C 13 26.7813 0.0000 . 1 . . . . . 25 LYS CD . 26327 1 213 . 1 . 1 25 25 LYS CE C 13 39.3912 0.0000 . 1 . . . . . 25 LYS CE . 26327 1 214 . 1 . 1 25 25 LYS CG C 13 22.3138 0.0000 . 1 . . . . . 25 LYS CG . 26327 1 215 . 1 . 1 25 25 LYS N N 15 118.0650 0.0000 . 1 . . . . . 25 LYS N . 26327 1 216 . 1 . 1 26 26 ALA H H 1 7.8908 0.0000 . 1 . . . . . 26 ALA H . 26327 1 217 . 1 . 1 26 26 ALA HA H 1 4.1295 0.0000 . 1 . . . . . 26 ALA HA . 26327 1 218 . 1 . 1 26 26 ALA HB1 H 1 1.5596 0.0000 . 1 . . . . . 26 ALA HB1 . 26327 1 219 . 1 . 1 26 26 ALA HB2 H 1 1.5596 0.0000 . 1 . . . . . 26 ALA HB1 . 26327 1 220 . 1 . 1 26 26 ALA HB3 H 1 1.5596 0.0000 . 1 . . . . . 26 ALA HB1 . 26327 1 221 . 1 . 1 26 26 ALA CA C 13 52.3957 0.0000 . 1 . . . . . 26 ALA CA . 26327 1 222 . 1 . 1 26 26 ALA CB C 13 16.1895 0.0000 . 1 . . . . . 26 ALA CB . 26327 1 223 . 1 . 1 26 26 ALA N N 15 121.0283 0.0000 . 1 . . . . . 26 ALA N . 26327 1 224 . 1 . 1 27 27 TYR H H 1 8.2393 0.0000 . 1 . . . . . 27 TYR H . 26327 1 225 . 1 . 1 27 27 TYR HA H 1 3.8344 0.0000 . 1 . . . . . 27 TYR HA . 26327 1 226 . 1 . 1 27 27 TYR HB2 H 1 2.4229 0.0000 . 2 . . . . . 27 TYR HB2 . 26327 1 227 . 1 . 1 27 27 TYR CA C 13 59.1089 0.0000 . 1 . . . . . 27 TYR CA . 26327 1 228 . 1 . 1 27 27 TYR CB C 13 36.0754 0.0000 . 1 . . . . . 27 TYR CB . 26327 1 229 . 1 . 1 27 27 TYR N N 15 116.8257 0.0000 . 1 . . . . . 27 TYR N . 26327 1 230 . 1 . 1 28 28 TYR H H 1 8.2310 0.0000 . 1 . . . . . 28 TYR H . 26327 1 231 . 1 . 1 28 28 TYR HA H 1 3.6236 0.0000 . 1 . . . . . 28 TYR HA . 26327 1 232 . 1 . 1 28 28 TYR HH H 1 9.1577 0.0000 . 1 . . . . . 28 TYR HH . 26327 1 233 . 1 . 1 28 28 TYR CA C 13 59.5937 0.0000 . 1 . . . . . 28 TYR CA . 26327 1 234 . 1 . 1 28 28 TYR CB C 13 34.3984 0.0000 . 1 . . . . . 28 TYR CB . 26327 1 235 . 1 . 1 28 28 TYR N N 15 116.3835 0.0000 . 1 . . . . . 28 TYR N . 26327 1 236 . 1 . 1 29 29 GLN H H 1 7.7765 0.0000 . 1 . . . . . 29 GLN H . 26327 1 237 . 1 . 1 29 29 GLN HA H 1 3.9598 0.0000 . 1 . . . . . 29 GLN HA . 26327 1 238 . 1 . 1 29 29 GLN HB2 H 1 2.0727 0.0000 . 2 . . . . . 29 GLN HB2 . 26327 1 239 . 1 . 1 29 29 GLN HG2 H 1 2.3533 0.0000 . 2 . . . . . 29 GLN HG2 . 26327 1 240 . 1 . 1 29 29 GLN CA C 13 56.0781 0.0000 . 1 . . . . . 29 GLN CA . 26327 1 241 . 1 . 1 29 29 GLN CB C 13 26.1953 0.0000 . 1 . . . . . 29 GLN CB . 26327 1 242 . 1 . 1 29 29 GLN CG C 13 31.4688 0.0000 . 1 . . . . . 29 GLN CG . 26327 1 243 . 1 . 1 29 29 GLN N N 15 117.2912 0.0000 . 1 . . . . . 29 GLN N . 26327 1 244 . 1 . 1 30 30 LEU H H 1 8.0479 0.0000 . 1 . . . . . 30 LEU H . 26327 1 245 . 1 . 1 30 30 LEU HA H 1 3.9492 0.0000 . 1 . . . . . 30 LEU HA . 26327 1 246 . 1 . 1 30 30 LEU HB2 H 1 1.3426 0.0000 . 2 . . . . . 30 LEU HB2 . 26327 1 247 . 1 . 1 30 30 LEU HD11 H 1 0.9280 0.0000 . 2 . . . . . 30 LEU HD11 . 26327 1 248 . 1 . 1 30 30 LEU HD12 H 1 0.9280 0.0000 . 2 . . . . . 30 LEU HD11 . 26327 1 249 . 1 . 1 30 30 LEU HD13 H 1 0.9280 0.0000 . 2 . . . . . 30 LEU HD11 . 26327 1 250 . 1 . 1 30 30 LEU HD21 H 1 0.8263 0.0000 . 2 . . . . . 30 LEU HD21 . 26327 1 251 . 1 . 1 30 30 LEU HD22 H 1 0.8263 0.0000 . 2 . . . . . 30 LEU HD21 . 26327 1 252 . 1 . 1 30 30 LEU HD23 H 1 0.8263 0.0000 . 2 . . . . . 30 LEU HD21 . 26327 1 253 . 1 . 1 30 30 LEU HG H 1 1.8314 0.0000 . 1 . . . . . 30 LEU HG . 26327 1 254 . 1 . 1 30 30 LEU CA C 13 54.8239 0.0000 . 1 . . . . . 30 LEU CA . 26327 1 255 . 1 . 1 30 30 LEU CB C 13 40.0095 0.0000 . 1 . . . . . 30 LEU CB . 26327 1 256 . 1 . 1 30 30 LEU CD1 C 13 23.8516 0.0000 . 2 . . . . . 30 LEU CD1 . 26327 1 257 . 1 . 1 30 30 LEU CD2 C 13 20.3360 0.0000 . 2 . . . . . 30 LEU CD2 . 26327 1 258 . 1 . 1 30 30 LEU CG C 13 23.7782 0.0000 . 1 . . . . . 30 LEU CG . 26327 1 259 . 1 . 1 30 30 LEU N N 15 121.3400 0.0000 . 1 . . . . . 30 LEU N . 26327 1 260 . 1 . 1 31 31 ALA H H 1 8.9637 0.0000 . 1 . . . . . 31 ALA H . 26327 1 261 . 1 . 1 31 31 ALA HA H 1 3.7353 0.0000 . 1 . . . . . 31 ALA HA . 26327 1 262 . 1 . 1 31 31 ALA HB1 H 1 0.8232 0.0000 . 1 . . . . . 31 ALA HB1 . 26327 1 263 . 1 . 1 31 31 ALA HB2 H 1 0.8232 0.0000 . 1 . . . . . 31 ALA HB1 . 26327 1 264 . 1 . 1 31 31 ALA HB3 H 1 0.8232 0.0000 . 1 . . . . . 31 ALA HB1 . 26327 1 265 . 1 . 1 31 31 ALA CA C 13 52.5426 0.0000 . 1 . . . . . 31 ALA CA . 26327 1 266 . 1 . 1 31 31 ALA CB C 13 14.1187 0.0000 . 1 . . . . . 31 ALA CB . 26327 1 267 . 1 . 1 31 31 ALA N N 15 122.3393 0.0000 . 1 . . . . . 31 ALA N . 26327 1 268 . 1 . 1 32 32 LYS H H 1 6.9255 0.0000 . 1 . . . . . 32 LYS H . 26327 1 269 . 1 . 1 32 32 LYS HA H 1 3.9532 0.0000 . 1 . . . . . 32 LYS HA . 26327 1 270 . 1 . 1 32 32 LYS HB2 H 1 1.7398 0.0000 . 2 . . . . . 32 LYS HB2 . 26327 1 271 . 1 . 1 32 32 LYS HG2 H 1 1.3003 0.0000 . 2 . . . . . 32 LYS HG2 . 26327 1 272 . 1 . 1 32 32 LYS CA C 13 55.4924 0.0000 . 1 . . . . . 32 LYS CA . 26327 1 273 . 1 . 1 32 32 LYS CB C 13 29.7110 0.0000 . 1 . . . . . 32 LYS CB . 26327 1 274 . 1 . 1 32 32 LYS CD C 13 26.7813 0.0000 . 1 . . . . . 32 LYS CD . 26327 1 275 . 1 . 1 32 32 LYS CE C 13 39.6719 0.0000 . 1 . . . . . 32 LYS CE . 26327 1 276 . 1 . 1 32 32 LYS CG C 13 22.0938 0.0000 . 1 . . . . . 32 LYS CG . 26327 1 277 . 1 . 1 32 32 LYS N N 15 115.5688 0.0000 . 1 . . . . . 32 LYS N . 26327 1 278 . 1 . 1 33 33 LYS H H 1 7.2139 0.0000 . 1 . . . . . 33 LYS H . 26327 1 279 . 1 . 1 33 33 LYS HA H 1 3.8814 0.0000 . 1 . . . . . 33 LYS HA . 26327 1 280 . 1 . 1 33 33 LYS HB2 H 1 1.4873 0.0000 . 2 . . . . . 33 LYS HB2 . 26327 1 281 . 1 . 1 33 33 LYS HD2 H 1 1.3459 0.0000 . 2 . . . . . 33 LYS HD2 . 26327 1 282 . 1 . 1 33 33 LYS HE2 H 1 2.8071 0.0000 . 2 . . . . . 33 LYS HE2 . 26327 1 283 . 1 . 1 33 33 LYS HG2 H 1 0.7808 0.0000 . 2 . . . . . 33 LYS HG2 . 26327 1 284 . 1 . 1 33 33 LYS CA C 13 55.9727 0.0000 . 1 . . . . . 33 LYS CA . 26327 1 285 . 1 . 1 33 33 LYS CB C 13 29.9921 0.0000 . 1 . . . . . 33 LYS CB . 26327 1 286 . 1 . 1 33 33 LYS CD C 13 26.7813 0.0000 . 1 . . . . . 33 LYS CD . 26327 1 287 . 1 . 1 33 33 LYS CE C 13 39.2825 0.0000 . 1 . . . . . 33 LYS CE . 26327 1 288 . 1 . 1 33 33 LYS CG C 13 21.9958 0.0000 . 1 . . . . . 33 LYS CG . 26327 1 289 . 1 . 1 33 33 LYS N N 15 117.9884 0.0000 . 1 . . . . . 33 LYS N . 26327 1 290 . 1 . 1 34 34 TYR H H 1 7.7078 0.0000 . 1 . . . . . 34 TYR H . 26327 1 291 . 1 . 1 34 34 TYR HA H 1 4.5953 0.0000 . 1 . . . . . 34 TYR HA . 26327 1 292 . 1 . 1 34 34 TYR HB2 H 1 2.5334 0.0000 . 2 . . . . . 34 TYR HB2 . 26327 1 293 . 1 . 1 34 34 TYR HH H 1 8.7278 0.0000 . 1 . . . . . 34 TYR HH . 26327 1 294 . 1 . 1 34 34 TYR CA C 13 54.5879 0.0000 . 1 . . . . . 34 TYR CA . 26327 1 295 . 1 . 1 34 34 TYR CB C 13 36.0496 0.0000 . 1 . . . . . 34 TYR CB . 26327 1 296 . 1 . 1 34 34 TYR N N 15 114.6942 0.0000 . 1 . . . . . 34 TYR N . 26327 1 297 . 1 . 1 35 35 HIS H H 1 7.2815 0.0000 . 1 . . . . . 35 HIS H . 26327 1 298 . 1 . 1 35 35 HIS HA H 1 3.8138 0.0000 . 1 . . . . . 35 HIS HA . 26327 1 299 . 1 . 1 35 35 HIS HD1 H 1 7.6078 0.0000 . 1 . . . . . 35 HIS HD1 . 26327 1 300 . 1 . 1 35 35 HIS HD2 H 1 6.8899 0.0000 . 1 . . . . . 35 HIS HD2 . 26327 1 301 . 1 . 1 35 35 HIS CA C 13 54.1482 0.0000 . 1 . . . . . 35 HIS CA . 26327 1 302 . 1 . 1 35 35 HIS CB C 13 28.3436 0.0000 . 1 . . . . . 35 HIS CB . 26327 1 303 . 1 . 1 35 35 HIS N N 15 121.0350 0.0000 . 1 . . . . . 35 HIS N . 26327 1 304 . 1 . 1 38 38 THR H H 1 7.6128 0.0000 . 1 . . . . . 38 THR H . 26327 1 305 . 1 . 1 38 38 THR HA H 1 4.3409 0.0000 . 1 . . . . . 38 THR HA . 26327 1 306 . 1 . 1 38 38 THR HB H 1 4.2904 0.0000 . 1 . . . . . 38 THR HB . 26327 1 307 . 1 . 1 38 38 THR HG1 H 1 4.6932 0.0000 . 1 . . . . . 38 THR HG1 . 26327 1 308 . 1 . 1 38 38 THR HG21 H 1 1.0771 0.0000 . 1 . . . . . 38 THR HG21 . 26327 1 309 . 1 . 1 38 38 THR HG22 H 1 1.0771 0.0000 . 1 . . . . . 38 THR HG21 . 26327 1 310 . 1 . 1 38 38 THR HG23 H 1 1.0771 0.0000 . 1 . . . . . 38 THR HG21 . 26327 1 311 . 1 . 1 38 38 THR CA C 13 59.1212 0.0000 . 1 . . . . . 38 THR CA . 26327 1 312 . 1 . 1 38 38 THR CB C 13 66.3738 0.0000 . 1 . . . . . 38 THR CB . 26327 1 313 . 1 . 1 38 38 THR CG2 C 13 18.8981 0.0000 . 1 . . . . . 38 THR CG2 . 26327 1 314 . 1 . 1 38 38 THR N N 15 109.4271 0.0000 . 1 . . . . . 38 THR N . 26327 1 315 . 1 . 1 39 39 ASN H H 1 7.7948 0.0000 . 1 . . . . . 39 ASN H . 26327 1 316 . 1 . 1 39 39 ASN HA H 1 4.8554 0.0000 . 1 . . . . . 39 ASN HA . 26327 1 317 . 1 . 1 39 39 ASN HB2 H 1 2.4362 0.0000 . 2 . . . . . 39 ASN HB2 . 26327 1 318 . 1 . 1 39 39 ASN HD21 H 1 6.9083 0.0000 . 2 . . . . . 39 ASN HD21 . 26327 1 319 . 1 . 1 39 39 ASN HD22 H 1 7.6353 0.0000 . 2 . . . . . 39 ASN HD22 . 26327 1 320 . 1 . 1 39 39 ASN CA C 13 50.4530 0.0000 . 1 . . . . . 39 ASN CA . 26327 1 321 . 1 . 1 39 39 ASN CB C 13 36.7566 0.0000 . 1 . . . . . 39 ASN CB . 26327 1 322 . 1 . 1 39 39 ASN N N 15 121.4004 0.0000 . 1 . . . . . 39 ASN N . 26327 1 323 . 1 . 1 40 40 LYS H H 1 8.1308 0.0000 . 1 . . . . . 40 LYS H . 26327 1 324 . 1 . 1 40 40 LYS HA H 1 4.1016 0.0000 . 1 . . . . . 40 LYS HA . 26327 1 325 . 1 . 1 40 40 LYS HB2 H 1 1.7090 0.0000 . 2 . . . . . 40 LYS HB2 . 26327 1 326 . 1 . 1 40 40 LYS CA C 13 54.9998 0.0000 . 1 . . . . . 40 LYS CA . 26327 1 327 . 1 . 1 40 40 LYS CB C 13 29.6892 0.0000 . 1 . . . . . 40 LYS CB . 26327 1 328 . 1 . 1 40 40 LYS CD C 13 26.3820 0.0000 . 1 . . . . . 40 LYS CD . 26327 1 329 . 1 . 1 40 40 LYS CE C 13 39.5004 0.0000 . 1 . . . . . 40 LYS CE . 26327 1 330 . 1 . 1 40 40 LYS CG C 13 21.9386 0.0000 . 1 . . . . . 40 LYS CG . 26327 1 331 . 1 . 1 40 40 LYS N N 15 120.4167 0.0000 . 1 . . . . . 40 LYS N . 26327 1 332 . 1 . 1 41 41 ASP H H 1 8.4210 0.0000 . 1 . . . . . 41 ASP H . 26327 1 333 . 1 . 1 41 41 ASP HA H 1 4.5175 0.0000 . 1 . . . . . 41 ASP HA . 26327 1 334 . 1 . 1 41 41 ASP HB2 H 1 2.5826 0.0000 . 2 . . . . . 41 ASP HB2 . 26327 1 335 . 1 . 1 41 41 ASP CA C 13 52.0521 0.0000 . 1 . . . . . 41 ASP CA . 26327 1 336 . 1 . 1 41 41 ASP CB C 13 37.9413 0.0000 . 1 . . . . . 41 ASP CB . 26327 1 337 . 1 . 1 41 41 ASP N N 15 118.1727 0.0000 . 1 . . . . . 41 ASP N . 26327 1 338 . 1 . 1 42 42 ASP H H 1 7.5264 0.0000 . 1 . . . . . 42 ASP H . 26327 1 339 . 1 . 1 42 42 ASP HA H 1 5.0199 0.0000 . 1 . . . . . 42 ASP HA . 26327 1 340 . 1 . 1 42 42 ASP HB2 H 1 2.5557 0.0000 . 2 . . . . . 42 ASP HB2 . 26327 1 341 . 1 . 1 42 42 ASP CA C 13 48.4182 0.0000 . 1 . . . . . 42 ASP CA . 26327 1 342 . 1 . 1 42 42 ASP CB C 13 39.4353 0.0000 . 1 . . . . . 42 ASP CB . 26327 1 343 . 1 . 1 42 42 ASP N N 15 119.5149 0.0000 . 1 . . . . . 42 ASP N . 26327 1 344 . 1 . 1 43 43 PRO HA H 1 4.3434 0.0000 . 1 . . . . . 43 PRO HA . 26327 1 345 . 1 . 1 43 43 PRO HB2 H 1 1.9857 0.0000 . 2 . . . . . 43 PRO HB2 . 26327 1 346 . 1 . 1 43 43 PRO CA C 13 61.9071 0.0000 . 1 . . . . . 43 PRO CA . 26327 1 347 . 1 . 1 43 43 PRO CB C 13 29.6593 0.0000 . 1 . . . . . 43 PRO CB . 26327 1 348 . 1 . 1 43 43 PRO CD C 13 48.5771 0.0000 . 1 . . . . . 43 PRO CD . 26327 1 349 . 1 . 1 43 43 PRO CG C 13 24.4569 0.0000 . 1 . . . . . 43 PRO CG . 26327 1 350 . 1 . 1 43 43 PRO N N 15 118.4959 0.0000 . 1 . . . . . 43 PRO N . 26327 1 351 . 1 . 1 44 44 LYS H H 1 8.2005 0.0000 . 1 . . . . . 44 LYS H . 26327 1 352 . 1 . 1 44 44 LYS HA H 1 4.3362 0.0000 . 1 . . . . . 44 LYS HA . 26327 1 353 . 1 . 1 44 44 LYS HB2 H 1 1.8490 0.0000 . 2 . . . . . 44 LYS HB2 . 26327 1 354 . 1 . 1 44 44 LYS HG2 H 1 1.3523 0.0000 . 2 . . . . . 44 LYS HG2 . 26327 1 355 . 1 . 1 44 44 LYS CA C 13 54.2983 0.0000 . 1 . . . . . 44 LYS CA . 26327 1 356 . 1 . 1 44 44 LYS CB C 13 28.9597 0.0000 . 1 . . . . . 44 LYS CB . 26327 1 357 . 1 . 1 44 44 LYS CD C 13 25.8539 0.0000 . 1 . . . . . 44 LYS CD . 26327 1 358 . 1 . 1 44 44 LYS CE C 13 39.6719 0.0000 . 1 . . . . . 44 LYS CE . 26327 1 359 . 1 . 1 44 44 LYS CG C 13 22.2795 0.0000 . 1 . . . . . 44 LYS CG . 26327 1 360 . 1 . 1 44 44 LYS N N 15 118.4716 0.0000 . 1 . . . . . 44 LYS N . 26327 1 361 . 1 . 1 45 45 ALA H H 1 7.6285 0.0000 . 1 . . . . . 45 ALA H . 26327 1 362 . 1 . 1 45 45 ALA HA H 1 3.9516 0.0000 . 1 . . . . . 45 ALA HA . 26327 1 363 . 1 . 1 45 45 ALA HB1 H 1 1.5722 0.0000 . 1 . . . . . 45 ALA HB1 . 26327 1 364 . 1 . 1 45 45 ALA HB2 H 1 1.5722 0.0000 . 1 . . . . . 45 ALA HB1 . 26327 1 365 . 1 . 1 45 45 ALA HB3 H 1 1.5722 0.0000 . 1 . . . . . 45 ALA HB1 . 26327 1 366 . 1 . 1 45 45 ALA CA C 13 52.8764 0.0000 . 1 . . . . . 45 ALA CA . 26327 1 367 . 1 . 1 45 45 ALA CB C 13 15.5890 0.0000 . 1 . . . . . 45 ALA CB . 26327 1 368 . 1 . 1 45 45 ALA N N 15 123.2313 0.0000 . 1 . . . . . 45 ALA N . 26327 1 369 . 1 . 1 46 46 LYS H H 1 7.9746 0.0000 . 1 . . . . . 46 LYS H . 26327 1 370 . 1 . 1 46 46 LYS HA H 1 3.9890 0.0000 . 1 . . . . . 46 LYS HA . 26327 1 371 . 1 . 1 46 46 LYS HG2 H 1 1.3562 0.0000 . 2 . . . . . 46 LYS HG2 . 26327 1 372 . 1 . 1 46 46 LYS CA C 13 57.2500 0.0000 . 1 . . . . . 46 LYS CA . 26327 1 373 . 1 . 1 46 46 LYS CB C 13 29.1250 0.0000 . 1 . . . . . 46 LYS CB . 26327 1 374 . 1 . 1 46 46 LYS CG C 13 22.6797 0.0000 . 1 . . . . . 46 LYS CG . 26327 1 375 . 1 . 1 46 46 LYS N N 15 116.8062 0.0000 . 1 . . . . . 46 LYS N . 26327 1 376 . 1 . 1 47 47 GLU H H 1 7.8677 0.0000 . 1 . . . . . 47 GLU H . 26327 1 377 . 1 . 1 47 47 GLU HA H 1 4.0528 0.0000 . 1 . . . . . 47 GLU HA . 26327 1 378 . 1 . 1 47 47 GLU HB2 H 1 2.0152 0.0000 . 2 . . . . . 47 GLU HB2 . 26327 1 379 . 1 . 1 47 47 GLU HG2 H 1 2.1766 0.0000 . 2 . . . . . 47 GLU HG2 . 26327 1 380 . 1 . 1 47 47 GLU CA C 13 56.6367 0.0000 . 1 . . . . . 47 GLU CA . 26327 1 381 . 1 . 1 47 47 GLU CB C 13 26.8362 0.0000 . 1 . . . . . 47 GLU CB . 26327 1 382 . 1 . 1 47 47 GLU CG C 13 33.7284 0.0000 . 1 . . . . . 47 GLU CG . 26327 1 383 . 1 . 1 47 47 GLU N N 15 120.7717 0.0000 . 1 . . . . . 47 GLU N . 26327 1 384 . 1 . 1 48 48 LYS H H 1 7.9529 0.0000 . 1 . . . . . 48 LYS H . 26327 1 385 . 1 . 1 48 48 LYS HA H 1 3.8893 0.0000 . 1 . . . . . 48 LYS HA . 26327 1 386 . 1 . 1 48 48 LYS HB2 H 1 1.1268 0.0000 . 2 . . . . . 48 LYS HB2 . 26327 1 387 . 1 . 1 48 48 LYS HG2 H 1 0.9649 0.0000 . 2 . . . . . 48 LYS HG2 . 26327 1 388 . 1 . 1 48 48 LYS CA C 13 56.0781 0.0000 . 1 . . . . . 48 LYS CA . 26327 1 389 . 1 . 1 48 48 LYS CB C 13 28.5391 0.0000 . 1 . . . . . 48 LYS CB . 26327 1 390 . 1 . 1 48 48 LYS CD C 13 26.0651 0.0000 . 1 . . . . . 48 LYS CD . 26327 1 391 . 1 . 1 48 48 LYS CE C 13 39.0859 0.0000 . 1 . . . . . 48 LYS CE . 26327 1 392 . 1 . 1 48 48 LYS CG C 13 22.0938 0.0000 . 1 . . . . . 48 LYS CG . 26327 1 393 . 1 . 1 48 48 LYS N N 15 119.9508 0.0000 . 1 . . . . . 48 LYS N . 26327 1 394 . 1 . 1 49 49 PHE H H 1 8.7411 0.0000 . 1 . . . . . 49 PHE H . 26327 1 395 . 1 . 1 49 49 PHE HA H 1 3.9480 0.0000 . 1 . . . . . 49 PHE HA . 26327 1 396 . 1 . 1 49 49 PHE HB2 H 1 3.0462 0.0000 . 2 . . . . . 49 PHE HB2 . 26327 1 397 . 1 . 1 49 49 PHE HZ H 1 7.0801 0.0000 . 1 . . . . . 49 PHE HZ . 26327 1 398 . 1 . 1 49 49 PHE CA C 13 59.5765 0.0000 . 1 . . . . . 49 PHE CA . 26327 1 399 . 1 . 1 49 49 PHE CB C 13 36.4025 0.0000 . 1 . . . . . 49 PHE CB . 26327 1 400 . 1 . 1 49 49 PHE N N 15 120.1162 0.0000 . 1 . . . . . 49 PHE N . 26327 1 401 . 1 . 1 50 50 SER H H 1 8.1884 0.0000 . 1 . . . . . 50 SER H . 26327 1 402 . 1 . 1 50 50 SER HA H 1 4.1197 0.0000 . 1 . . . . . 50 SER HA . 26327 1 403 . 1 . 1 50 50 SER CA C 13 59.0078 0.0000 . 1 . . . . . 50 SER CA . 26327 1 404 . 1 . 1 50 50 SER CB C 13 60.1797 0.0000 . 1 . . . . . 50 SER CB . 26327 1 405 . 1 . 1 50 50 SER N N 15 114.6632 0.0000 . 1 . . . . . 50 SER N . 26327 1 406 . 1 . 1 51 51 GLN H H 1 7.8455 0.0000 . 1 . . . . . 51 GLN H . 26327 1 407 . 1 . 1 51 51 GLN HA H 1 4.0716 0.0000 . 1 . . . . . 51 GLN HA . 26327 1 408 . 1 . 1 51 51 GLN HB2 H 1 2.0186 0.0000 . 2 . . . . . 51 GLN HB2 . 26327 1 409 . 1 . 1 51 51 GLN HE21 H 1 7.5935 0.0000 . 2 . . . . . 51 GLN HE21 . 26327 1 410 . 1 . 1 51 51 GLN HE22 H 1 6.8133 0.0000 . 2 . . . . . 51 GLN HE22 . 26327 1 411 . 1 . 1 51 51 GLN HG2 H 1 2.2539 0.0000 . 2 . . . . . 51 GLN HG2 . 26327 1 412 . 1 . 1 51 51 GLN CA C 13 56.0781 0.0000 . 1 . . . . . 51 GLN CA . 26327 1 413 . 1 . 1 51 51 GLN CB C 13 26.1953 0.0000 . 1 . . . . . 51 GLN CB . 26327 1 414 . 1 . 1 51 51 GLN CG C 13 32.0547 0.0000 . 1 . . . . . 51 GLN CG . 26327 1 415 . 1 . 1 51 51 GLN N N 15 122.0407 0.0000 . 1 . . . . . 51 GLN N . 26327 1 416 . 1 . 1 52 52 LEU H H 1 7.8580 0.0000 . 1 . . . . . 52 LEU H . 26327 1 417 . 1 . 1 52 52 LEU HA H 1 3.7628 0.0000 . 1 . . . . . 52 LEU HA . 26327 1 418 . 1 . 1 52 52 LEU HB2 H 1 1.5394 0.0000 . 2 . . . . . 52 LEU HB2 . 26327 1 419 . 1 . 1 52 52 LEU HD11 H 1 0.8098 0.0000 . 2 . . . . . 52 LEU HD11 . 26327 1 420 . 1 . 1 52 52 LEU HD12 H 1 0.8098 0.0000 . 2 . . . . . 52 LEU HD11 . 26327 1 421 . 1 . 1 52 52 LEU HD13 H 1 0.8098 0.0000 . 2 . . . . . 52 LEU HD11 . 26327 1 422 . 1 . 1 52 52 LEU HD21 H 1 0.7491 0.0000 . 2 . . . . . 52 LEU HD21 . 26327 1 423 . 1 . 1 52 52 LEU HD22 H 1 0.7491 0.0000 . 2 . . . . . 52 LEU HD21 . 26327 1 424 . 1 . 1 52 52 LEU HD23 H 1 0.7491 0.0000 . 2 . . . . . 52 LEU HD21 . 26327 1 425 . 1 . 1 52 52 LEU HG H 1 1.7092 0.0000 . 1 . . . . . 52 LEU HG . 26327 1 426 . 1 . 1 52 52 LEU CA C 13 53.9034 0.0000 . 1 . . . . . 52 LEU CA . 26327 1 427 . 1 . 1 52 52 LEU CB C 13 39.6719 0.0000 . 1 . . . . . 52 LEU CB . 26327 1 428 . 1 . 1 52 52 LEU CD1 C 13 23.8516 0.0000 . 2 . . . . . 52 LEU CD1 . 26327 1 429 . 1 . 1 52 52 LEU CD2 C 13 22.6797 0.0000 . 2 . . . . . 52 LEU CD2 . 26327 1 430 . 1 . 1 52 52 LEU CG C 13 23.8516 0.0000 . 1 . . . . . 52 LEU CG . 26327 1 431 . 1 . 1 52 52 LEU N N 15 120.1223 0.0000 . 1 . . . . . 52 LEU N . 26327 1 432 . 1 . 1 53 53 ALA H H 1 7.8506 0.0000 . 1 . . . . . 53 ALA H . 26327 1 433 . 1 . 1 53 53 ALA HA H 1 3.7309 0.0000 . 1 . . . . . 53 ALA HA . 26327 1 434 . 1 . 1 53 53 ALA HB1 H 1 1.2471 0.0000 . 1 . . . . . 53 ALA HB1 . 26327 1 435 . 1 . 1 53 53 ALA HB2 H 1 1.2471 0.0000 . 1 . . . . . 53 ALA HB1 . 26327 1 436 . 1 . 1 53 53 ALA HB3 H 1 1.2471 0.0000 . 1 . . . . . 53 ALA HB1 . 26327 1 437 . 1 . 1 53 53 ALA CA C 13 52.5156 0.0000 . 1 . . . . . 53 ALA CA . 26327 1 438 . 1 . 1 53 53 ALA CB C 13 14.9842 0.0000 . 1 . . . . . 53 ALA CB . 26327 1 439 . 1 . 1 53 53 ALA N N 15 119.7693 0.0000 . 1 . . . . . 53 ALA N . 26327 1 440 . 1 . 1 54 54 GLU H H 1 7.6052 0.0000 . 1 . . . . . 54 GLU H . 26327 1 441 . 1 . 1 54 54 GLU HA H 1 3.7481 0.0000 . 1 . . . . . 54 GLU HA . 26327 1 442 . 1 . 1 54 54 GLU HB2 H 1 1.8768 0.0000 . 2 . . . . . 54 GLU HB2 . 26327 1 443 . 1 . 1 54 54 GLU CA C 13 56.3267 0.0000 . 1 . . . . . 54 GLU CA . 26327 1 444 . 1 . 1 54 54 GLU CB C 13 26.9203 0.0000 . 1 . . . . . 54 GLU CB . 26327 1 445 . 1 . 1 54 54 GLU CG C 13 33.0154 0.0000 . 1 . . . . . 54 GLU CG . 26327 1 446 . 1 . 1 54 54 GLU N N 15 119.4414 0.0000 . 1 . . . . . 54 GLU N . 26327 1 447 . 1 . 1 55 55 ALA H H 1 7.3717 0.0000 . 1 . . . . . 55 ALA H . 26327 1 448 . 1 . 1 55 55 ALA HB1 H 1 1.1982 0.0000 . 1 . . . . . 55 ALA HB1 . 26327 1 449 . 1 . 1 55 55 ALA HB2 H 1 1.1982 0.0000 . 1 . . . . . 55 ALA HB1 . 26327 1 450 . 1 . 1 55 55 ALA HB3 H 1 1.1982 0.0000 . 1 . . . . . 55 ALA HB1 . 26327 1 451 . 1 . 1 55 55 ALA CA C 13 51.2324 0.0000 . 1 . . . . . 55 ALA CA . 26327 1 452 . 1 . 1 55 55 ALA CB C 13 15.8901 0.0000 . 1 . . . . . 55 ALA CB . 26327 1 453 . 1 . 1 55 55 ALA N N 15 119.2327 0.0000 . 1 . . . . . 55 ALA N . 26327 1 454 . 1 . 1 56 56 TYR H H 1 8.1708 0.0000 . 1 . . . . . 56 TYR H . 26327 1 455 . 1 . 1 56 56 TYR HA H 1 3.5721 0.0000 . 1 . . . . . 56 TYR HA . 26327 1 456 . 1 . 1 56 56 TYR HB2 H 1 2.1588 0.0000 . 2 . . . . . 56 TYR HB2 . 26327 1 457 . 1 . 1 56 56 TYR CA C 13 58.1849 0.0000 . 1 . . . . . 56 TYR CA . 26327 1 458 . 1 . 1 56 56 TYR CB C 13 36.4543 0.0000 . 1 . . . . . 56 TYR CB . 26327 1 459 . 1 . 1 56 56 TYR N N 15 115.9621 0.0000 . 1 . . . . . 56 TYR N . 26327 1 460 . 1 . 1 57 57 GLU H H 1 8.0589 0.0000 . 1 . . . . . 57 GLU H . 26327 1 461 . 1 . 1 57 57 GLU HA H 1 3.2960 0.0000 . 1 . . . . . 57 GLU HA . 26327 1 462 . 1 . 1 57 57 GLU HB2 H 1 1.8652 0.0000 . 2 . . . . . 57 GLU HB2 . 26327 1 463 . 1 . 1 57 57 GLU HG2 H 1 2.0064 0.0000 . 2 . . . . . 57 GLU HG2 . 26327 1 464 . 1 . 1 57 57 GLU CA C 13 56.5985 0.0000 . 1 . . . . . 57 GLU CA . 26327 1 465 . 1 . 1 57 57 GLU CB C 13 26.1769 0.0000 . 1 . . . . . 57 GLU CB . 26327 1 466 . 1 . 1 57 57 GLU CG C 13 33.3947 0.0000 . 1 . . . . . 57 GLU CG . 26327 1 467 . 1 . 1 57 57 GLU N N 15 121.5336 0.0000 . 1 . . . . . 57 GLU N . 26327 1 468 . 1 . 1 58 58 VAL H H 1 6.6424 0.0000 . 1 . . . . . 58 VAL H . 26327 1 469 . 1 . 1 58 58 VAL HA H 1 3.4012 0.0000 . 1 . . . . . 58 VAL HA . 26327 1 470 . 1 . 1 58 58 VAL HB H 1 1.2465 0.0000 . 1 . . . . . 58 VAL HB . 26327 1 471 . 1 . 1 58 58 VAL HG11 H 1 0.7937 0.0000 . 2 . . . . . 58 VAL HG11 . 26327 1 472 . 1 . 1 58 58 VAL HG12 H 1 0.7937 0.0000 . 2 . . . . . 58 VAL HG11 . 26327 1 473 . 1 . 1 58 58 VAL HG13 H 1 0.7937 0.0000 . 2 . . . . . 58 VAL HG11 . 26327 1 474 . 1 . 1 58 58 VAL HG21 H 1 0.5180 0.0000 . 2 . . . . . 58 VAL HG21 . 26327 1 475 . 1 . 1 58 58 VAL HG22 H 1 0.5180 0.0000 . 2 . . . . . 58 VAL HG21 . 26327 1 476 . 1 . 1 58 58 VAL HG23 H 1 0.5180 0.0000 . 2 . . . . . 58 VAL HG21 . 26327 1 477 . 1 . 1 58 58 VAL CA C 13 62.8853 0.0000 . 1 . . . . . 58 VAL CA . 26327 1 478 . 1 . 1 58 58 VAL CB C 13 29.0113 0.0000 . 1 . . . . . 58 VAL CB . 26327 1 479 . 1 . 1 58 58 VAL CG1 C 13 20.1466 0.0000 . 2 . . . . . 58 VAL CG1 . 26327 1 480 . 1 . 1 58 58 VAL CG2 C 13 18.3815 0.0000 . 2 . . . . . 58 VAL CG2 . 26327 1 481 . 1 . 1 58 58 VAL N N 15 115.1584 0.0000 . 1 . . . . . 58 VAL N . 26327 1 482 . 1 . 1 59 59 LEU H H 1 7.5484 0.0000 . 1 . . . . . 59 LEU H . 26327 1 483 . 1 . 1 59 59 LEU HA H 1 3.6251 0.0000 . 1 . . . . . 59 LEU HA . 26327 1 484 . 1 . 1 59 59 LEU HB2 H 1 1.0901 0.0000 . 2 . . . . . 59 LEU HB2 . 26327 1 485 . 1 . 1 59 59 LEU HD11 H 1 0.2244 0.0000 . 2 . . . . . 59 LEU HD11 . 26327 1 486 . 1 . 1 59 59 LEU HD12 H 1 0.2244 0.0000 . 2 . . . . . 59 LEU HD11 . 26327 1 487 . 1 . 1 59 59 LEU HD13 H 1 0.2244 0.0000 . 2 . . . . . 59 LEU HD11 . 26327 1 488 . 1 . 1 59 59 LEU HD21 H 1 0.0478 0.0000 . 2 . . . . . 59 LEU HD21 . 26327 1 489 . 1 . 1 59 59 LEU HD22 H 1 0.0478 0.0000 . 2 . . . . . 59 LEU HD21 . 26327 1 490 . 1 . 1 59 59 LEU HD23 H 1 0.0478 0.0000 . 2 . . . . . 59 LEU HD21 . 26327 1 491 . 1 . 1 59 59 LEU HG H 1 1.3351 0.0000 . 1 . . . . . 59 LEU HG . 26327 1 492 . 1 . 1 59 59 LEU CA C 13 54.0328 0.0000 . 1 . . . . . 59 LEU CA . 26327 1 493 . 1 . 1 59 59 LEU CB C 13 39.1226 0.0000 . 1 . . . . . 59 LEU CB . 26327 1 494 . 1 . 1 59 59 LEU CD1 C 13 19.7500 0.0000 . 2 . . . . . 59 LEU CD1 . 26327 1 495 . 1 . 1 59 59 LEU CD2 C 13 22.6797 0.0000 . 2 . . . . . 59 LEU CD2 . 26327 1 496 . 1 . 1 59 59 LEU N N 15 111.1622 0.0000 . 1 . . . . . 59 LEU N . 26327 1 497 . 1 . 1 60 60 SER H H 1 7.6656 0.0000 . 1 . . . . . 60 SER H . 26327 1 498 . 1 . 1 60 60 SER HA H 1 4.1931 0.0000 . 1 . . . . . 60 SER HA . 26327 1 499 . 1 . 1 60 60 SER HB2 H 1 2.7404 0.0000 . 2 . . . . . 60 SER HB2 . 26327 1 500 . 1 . 1 60 60 SER CA C 13 56.6640 0.0000 . 1 . . . . . 60 SER CA . 26327 1 501 . 1 . 1 60 60 SER CB C 13 60.7656 0.0000 . 1 . . . . . 60 SER CB . 26327 1 502 . 1 . 1 60 60 SER N N 15 108.4155 0.0000 . 1 . . . . . 60 SER N . 26327 1 503 . 1 . 1 61 61 ASP H H 1 6.8750 0.0000 . 1 . . . . . 61 ASP H . 26327 1 504 . 1 . 1 61 61 ASP HA H 1 4.7170 0.0000 . 1 . . . . . 61 ASP HA . 26327 1 505 . 1 . 1 61 61 ASP HB2 H 1 2.4153 0.0000 . 2 . . . . . 61 ASP HB2 . 26327 1 506 . 1 . 1 61 61 ASP CA C 13 49.6013 0.0000 . 1 . . . . . 61 ASP CA . 26327 1 507 . 1 . 1 61 61 ASP CB C 13 40.8700 0.0000 . 1 . . . . . 61 ASP CB . 26327 1 508 . 1 . 1 61 61 ASP N N 15 124.3134 0.0000 . 1 . . . . . 61 ASP N . 26327 1 509 . 1 . 1 62 62 GLU H H 1 8.9170 0.0000 . 1 . . . . . 62 GLU H . 26327 1 510 . 1 . 1 62 62 GLU HA H 1 3.7769 0.0000 . 1 . . . . . 62 GLU HA . 26327 1 511 . 1 . 1 62 62 GLU HG2 H 1 2.2403 0.0000 . 2 . . . . . 62 GLU HG2 . 26327 1 512 . 1 . 1 62 62 GLU CA C 13 57.7553 0.0000 . 1 . . . . . 62 GLU CA . 26327 1 513 . 1 . 1 62 62 GLU CB C 13 27.1669 0.0000 . 1 . . . . . 62 GLU CB . 26327 1 514 . 1 . 1 62 62 GLU CG C 13 33.8068 0.0000 . 1 . . . . . 62 GLU CG . 26327 1 515 . 1 . 1 62 62 GLU N N 15 124.5178 0.0000 . 1 . . . . . 62 GLU N . 26327 1 516 . 1 . 1 63 63 VAL H H 1 7.8489 0.0000 . 1 . . . . . 63 VAL H . 26327 1 517 . 1 . 1 63 63 VAL HA H 1 3.6571 0.0000 . 1 . . . . . 63 VAL HA . 26327 1 518 . 1 . 1 63 63 VAL HB H 1 2.1699 0.0000 . 1 . . . . . 63 VAL HB . 26327 1 519 . 1 . 1 63 63 VAL HG11 H 1 0.9919 0.0000 . 2 . . . . . 63 VAL HG11 . 26327 1 520 . 1 . 1 63 63 VAL HG12 H 1 0.9919 0.0000 . 2 . . . . . 63 VAL HG11 . 26327 1 521 . 1 . 1 63 63 VAL HG13 H 1 0.9919 0.0000 . 2 . . . . . 63 VAL HG11 . 26327 1 522 . 1 . 1 63 63 VAL HG21 H 1 0.8606 0.0000 . 2 . . . . . 63 VAL HG21 . 26327 1 523 . 1 . 1 63 63 VAL HG22 H 1 0.8606 0.0000 . 2 . . . . . 63 VAL HG21 . 26327 1 524 . 1 . 1 63 63 VAL HG23 H 1 0.8606 0.0000 . 2 . . . . . 63 VAL HG21 . 26327 1 525 . 1 . 1 63 63 VAL CA C 13 63.7033 0.0000 . 1 . . . . . 63 VAL CA . 26327 1 526 . 1 . 1 63 63 VAL CB C 13 28.9997 0.0000 . 1 . . . . . 63 VAL CB . 26327 1 527 . 1 . 1 63 63 VAL CG1 C 13 19.8693 0.0000 . 2 . . . . . 63 VAL CG1 . 26327 1 528 . 1 . 1 63 63 VAL CG2 C 13 18.1749 0.0000 . 2 . . . . . 63 VAL CG2 . 26327 1 529 . 1 . 1 63 63 VAL N N 15 119.4069 0.0000 . 1 . . . . . 63 VAL N . 26327 1 530 . 1 . 1 64 64 LYS H H 1 8.1499 0.0000 . 1 . . . . . 64 LYS H . 26327 1 531 . 1 . 1 64 64 LYS HA H 1 4.0092 0.0000 . 1 . . . . . 64 LYS HA . 26327 1 532 . 1 . 1 64 64 LYS HB2 H 1 1.8355 0.0000 . 2 . . . . . 64 LYS HB2 . 26327 1 533 . 1 . 1 64 64 LYS HG2 H 1 1.3306 0.0000 . 2 . . . . . 64 LYS HG2 . 26327 1 534 . 1 . 1 64 64 LYS CA C 13 57.1821 0.0000 . 1 . . . . . 64 LYS CA . 26327 1 535 . 1 . 1 64 64 LYS CB C 13 30.2399 0.0000 . 1 . . . . . 64 LYS CB . 26327 1 536 . 1 . 1 64 64 LYS CD C 13 27.1165 0.0000 . 1 . . . . . 64 LYS CD . 26327 1 537 . 1 . 1 64 64 LYS CE C 13 39.5342 0.0000 . 1 . . . . . 64 LYS CE . 26327 1 538 . 1 . 1 64 64 LYS CG C 13 23.7238 0.0000 . 1 . . . . . 64 LYS CG . 26327 1 539 . 1 . 1 64 64 LYS N N 15 121.8503 0.0000 . 1 . . . . . 64 LYS N . 26327 1 540 . 1 . 1 65 65 ARG H H 1 9.4637 0.0000 . 1 . . . . . 65 ARG H . 26327 1 541 . 1 . 1 65 65 ARG HA H 1 3.6545 0.0000 . 1 . . . . . 65 ARG HA . 26327 1 542 . 1 . 1 65 65 ARG HB2 H 1 1.6836 0.0000 . 2 . . . . . 65 ARG HB2 . 26327 1 543 . 1 . 1 65 65 ARG HD2 H 1 3.1172 0.0000 . 2 . . . . . 65 ARG HD2 . 26327 1 544 . 1 . 1 65 65 ARG HE H 1 8.2931 0.0000 . 1 . . . . . 65 ARG HE . 26327 1 545 . 1 . 1 65 65 ARG HG2 H 1 1.6810 0.0000 . 2 . . . . . 65 ARG HG2 . 26327 1 546 . 1 . 1 65 65 ARG HH11 H 1 7.1691 0.0000 . 2 . . . . . 65 ARG HH11 . 26327 1 547 . 1 . 1 65 65 ARG HH12 H 1 6.8670 0.0000 . 2 . . . . . 65 ARG HH12 . 26327 1 548 . 1 . 1 65 65 ARG HH21 H 1 6.5497 0.0000 . 2 . . . . . 65 ARG HH21 . 26327 1 549 . 1 . 1 65 65 ARG HH22 H 1 6.3939 0.0000 . 2 . . . . . 65 ARG HH22 . 26327 1 550 . 1 . 1 65 65 ARG CA C 13 57.7089 0.0000 . 1 . . . . . 65 ARG CA . 26327 1 551 . 1 . 1 65 65 ARG CB C 13 27.1315 0.0000 . 1 . . . . . 65 ARG CB . 26327 1 552 . 1 . 1 65 65 ARG CD C 13 41.2385 0.0000 . 1 . . . . . 65 ARG CD . 26327 1 553 . 1 . 1 65 65 ARG CG C 13 23.8897 0.0000 . 1 . . . . . 65 ARG CG . 26327 1 554 . 1 . 1 65 65 ARG N N 15 122.8720 0.0000 . 1 . . . . . 65 ARG N . 26327 1 555 . 1 . 1 66 66 LYS H H 1 7.5154 0.0000 . 1 . . . . . 66 LYS H . 26327 1 556 . 1 . 1 66 66 LYS HA H 1 4.0877 0.0000 . 1 . . . . . 66 LYS HA . 26327 1 557 . 1 . 1 66 66 LYS HB2 H 1 1.9246 0.0000 . 2 . . . . . 66 LYS HB2 . 26327 1 558 . 1 . 1 66 66 LYS HG2 H 1 1.4691 0.0000 . 2 . . . . . 66 LYS HG2 . 26327 1 559 . 1 . 1 66 66 LYS CA C 13 56.8996 0.0000 . 1 . . . . . 66 LYS CA . 26327 1 560 . 1 . 1 66 66 LYS CB C 13 29.5862 0.0000 . 1 . . . . . 66 LYS CB . 26327 1 561 . 1 . 1 66 66 LYS CD C 13 26.7813 0.0000 . 1 . . . . . 66 LYS CD . 26327 1 562 . 1 . 1 66 66 LYS CE C 13 39.5043 0.0000 . 1 . . . . . 66 LYS CE . 26327 1 563 . 1 . 1 66 66 LYS CG C 13 22.5629 0.0000 . 1 . . . . . 66 LYS CG . 26327 1 564 . 1 . 1 66 66 LYS N N 15 118.0738 0.0000 . 1 . . . . . 66 LYS N . 26327 1 565 . 1 . 1 67 67 GLN H H 1 7.5061 0.0000 . 1 . . . . . 67 GLN H . 26327 1 566 . 1 . 1 67 67 GLN HA H 1 4.0463 0.0000 . 1 . . . . . 67 GLN HA . 26327 1 567 . 1 . 1 67 67 GLN HE21 H 1 7.4034 0.0000 . 2 . . . . . 67 GLN HE21 . 26327 1 568 . 1 . 1 67 67 GLN HE22 H 1 6.7675 0.0000 . 2 . . . . . 67 GLN HE22 . 26327 1 569 . 1 . 1 67 67 GLN HG2 H 1 2.3891 0.0000 . 2 . . . . . 67 GLN HG2 . 26327 1 570 . 1 . 1 67 67 GLN CA C 13 56.0781 0.0000 . 1 . . . . . 67 GLN CA . 26327 1 571 . 1 . 1 67 67 GLN CB C 13 25.6094 0.0000 . 1 . . . . . 67 GLN CB . 26327 1 572 . 1 . 1 67 67 GLN CG C 13 30.9665 0.0000 . 1 . . . . . 67 GLN CG . 26327 1 573 . 1 . 1 67 67 GLN N N 15 118.1775 0.0000 . 1 . . . . . 67 GLN N . 26327 1 574 . 1 . 1 68 68 TYR H H 1 8.4260 0.0000 . 1 . . . . . 68 TYR H . 26327 1 575 . 1 . 1 68 68 TYR HA H 1 4.1486 0.0000 . 1 . . . . . 68 TYR HA . 26327 1 576 . 1 . 1 68 68 TYR CA C 13 58.8507 0.0000 . 1 . . . . . 68 TYR CA . 26327 1 577 . 1 . 1 68 68 TYR CB C 13 36.1767 0.0000 . 1 . . . . . 68 TYR CB . 26327 1 578 . 1 . 1 68 68 TYR N N 15 122.4882 0.0000 . 1 . . . . . 68 TYR N . 26327 1 579 . 1 . 1 69 69 ASP H H 1 9.0303 0.0000 . 1 . . . . . 69 ASP H . 26327 1 580 . 1 . 1 69 69 ASP HA H 1 4.3014 0.0000 . 1 . . . . . 69 ASP HA . 26327 1 581 . 1 . 1 69 69 ASP HB2 H 1 2.5760 0.0000 . 2 . . . . . 69 ASP HB2 . 26327 1 582 . 1 . 1 69 69 ASP CA C 13 53.7344 0.0000 . 1 . . . . . 69 ASP CA . 26327 1 583 . 1 . 1 69 69 ASP CB C 13 37.9141 0.0000 . 1 . . . . . 69 ASP CB . 26327 1 584 . 1 . 1 69 69 ASP N N 15 120.5384 0.0000 . 1 . . . . . 69 ASP N . 26327 1 585 . 1 . 1 70 70 ALA H H 1 7.3695 0.0000 . 1 . . . . . 70 ALA H . 26327 1 586 . 1 . 1 70 70 ALA HA H 1 4.1159 0.0000 . 1 . . . . . 70 ALA HA . 26327 1 587 . 1 . 1 70 70 ALA HB1 H 1 1.1660 0.0000 . 1 . . . . . 70 ALA HB1 . 26327 1 588 . 1 . 1 70 70 ALA HB2 H 1 1.1660 0.0000 . 1 . . . . . 70 ALA HB1 . 26327 1 589 . 1 . 1 70 70 ALA HB3 H 1 1.1660 0.0000 . 1 . . . . . 70 ALA HB1 . 26327 1 590 . 1 . 1 70 70 ALA CA C 13 50.8045 0.0000 . 1 . . . . . 70 ALA CA . 26327 1 591 . 1 . 1 70 70 ALA CB C 13 16.0950 0.0000 . 1 . . . . . 70 ALA CB . 26327 1 592 . 1 . 1 70 70 ALA N N 15 120.0939 0.0000 . 1 . . . . . 70 ALA N . 26327 1 593 . 1 . 1 71 71 TYR H H 1 7.7977 0.0000 . 1 . . . . . 71 TYR H . 26327 1 594 . 1 . 1 71 71 TYR HA H 1 4.5096 0.0000 . 1 . . . . . 71 TYR HA . 26327 1 595 . 1 . 1 71 71 TYR HB2 H 1 2.8978 0.0000 . 2 . . . . . 71 TYR HB2 . 26327 1 596 . 1 . 1 71 71 TYR CA C 13 55.8747 0.0000 . 1 . . . . . 71 TYR CA . 26327 1 597 . 1 . 1 71 71 TYR CB C 13 36.1757 0.0000 . 1 . . . . . 71 TYR CB . 26327 1 598 . 1 . 1 71 71 TYR N N 15 116.9504 0.0000 . 1 . . . . . 71 TYR N . 26327 1 599 . 1 . 1 72 72 GLY H H 1 8.1989 0.0000 . 1 . . . . . 72 GLY H . 26327 1 600 . 1 . 1 72 72 GLY HA2 H 1 3.6265 0.0000 . 2 . . . . . 72 GLY HA2 . 26327 1 601 . 1 . 1 72 72 GLY CA C 13 42.7675 0.0000 . 1 . . . . . 72 GLY CA . 26327 1 602 . 1 . 1 72 72 GLY N N 15 110.7153 0.0000 . 1 . . . . . 72 GLY N . 26327 1 603 . 1 . 1 73 73 SER H H 1 7.6608 0.0000 . 1 . . . . . 73 SER H . 26327 1 604 . 1 . 1 73 73 SER HA H 1 4.2392 0.0000 . 1 . . . . . 73 SER HA . 26327 1 605 . 1 . 1 73 73 SER HB2 H 1 3.7683 0.0000 . 2 . . . . . 73 SER HB2 . 26327 1 606 . 1 . 1 73 73 SER CA C 13 57.2500 0.0000 . 1 . . . . . 73 SER CA . 26327 1 607 . 1 . 1 73 73 SER CB C 13 62.5234 0.0000 . 1 . . . . . 73 SER CB . 26327 1 608 . 1 . 1 73 73 SER N N 15 120.3961 0.0000 . 1 . . . . . 73 SER N . 26327 1 stop_ save_