data_52550 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52550 _Entry.Title ; Human CHCHD10 N-Terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-15 _Entry.Accession_date 2024-07-15 _Entry.Last_release_date 2024-07-15 _Entry.Original_release_date 2024-07-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Human coiled-helix coiled-helix domain containing protein10 N-Terminus' _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 Chiara Mancinelli . D. . 0000-0002-2653-4698 52550 2 Guohua Lv . . . . 52550 3 Nicole Sayles . . . . 52550 4 Yun Huang . . . . 52550 5 Kevin McAvoy . . . . 52550 6 Giovanni Manfredi . . . . 52550 7 Hibiki Fujita . K. . . 52550 8 David Eliezer . . . 0000-0002-1311-7537 52550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 230 52550 '15N chemical shifts' 76 52550 '1H chemical shifts' 75 52550 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 . . 2024-08-15 . original BMRB . 52550 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52551 'Human CHCHD2 N-Terminus' 52550 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52550 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 39091724 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Amyloid fibril structures link CHCHD10 and CHCHD2 to neurodegeneration ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev bioRxiv _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 2024 _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 Guohua Lv G. . . . 52550 1 2 Nicole Sayles N. M. . . 52550 1 3 Yun Huang Y. . . . 52550 1 4 Chiara Mancinelli C. D. . . 52550 1 5 Kevin McAvoy K. . . . 52550 1 6 Neil Shneider N. A. . . 52550 1 7 Giovanni Manfredi G. . . . 52550 1 8 Hibiki Kawamata H. . . . 52550 1 9 David Eliezer D. . . . 52550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52550 _Assembly.ID 1 _Assembly.Name hCHCHD2_NTerm _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hCHCHD10_NTerm 1 $entity_1 . . yes native no no . . . 52550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52550 _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 ; MPRGSRSAASRPASRPAAPS AHPPAHPPPSAAAPAPAPSG QPGLMAQMATTAAGVAVGSA VGHVMGSALTGAFSGGSSEP SQPAVQQAPTPAAPQPLQM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _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 . MET . 52550 1 2 . PRO . 52550 1 3 . ARG . 52550 1 4 . GLY . 52550 1 5 . SER . 52550 1 6 . ARG . 52550 1 7 . SER . 52550 1 8 . ALA . 52550 1 9 . ALA . 52550 1 10 . SER . 52550 1 11 . ARG . 52550 1 12 . PRO . 52550 1 13 . ALA . 52550 1 14 . SER . 52550 1 15 . ARG . 52550 1 16 . PRO . 52550 1 17 . ALA . 52550 1 18 . ALA . 52550 1 19 . PRO . 52550 1 20 . SER . 52550 1 21 . ALA . 52550 1 22 . HIS . 52550 1 23 . PRO . 52550 1 24 . PRO . 52550 1 25 . ALA . 52550 1 26 . HIS . 52550 1 27 . PRO . 52550 1 28 . PRO . 52550 1 29 . PRO . 52550 1 30 . SER . 52550 1 31 . ALA . 52550 1 32 . ALA . 52550 1 33 . ALA . 52550 1 34 . PRO . 52550 1 35 . ALA . 52550 1 36 . PRO . 52550 1 37 . ALA . 52550 1 38 . PRO . 52550 1 39 . SER . 52550 1 40 . GLY . 52550 1 41 . GLN . 52550 1 42 . PRO . 52550 1 43 . GLY . 52550 1 44 . LEU . 52550 1 45 . MET . 52550 1 46 . ALA . 52550 1 47 . GLN . 52550 1 48 . MET . 52550 1 49 . ALA . 52550 1 50 . THR . 52550 1 51 . THR . 52550 1 52 . ALA . 52550 1 53 . ALA . 52550 1 54 . GLY . 52550 1 55 . VAL . 52550 1 56 . ALA . 52550 1 57 . VAL . 52550 1 58 . GLY . 52550 1 59 . SER . 52550 1 60 . ALA . 52550 1 61 . VAL . 52550 1 62 . GLY . 52550 1 63 . HIS . 52550 1 64 . VAL . 52550 1 65 . MET . 52550 1 66 . GLY . 52550 1 67 . SER . 52550 1 68 . ALA . 52550 1 69 . LEU . 52550 1 70 . THR . 52550 1 71 . GLY . 52550 1 72 . ALA . 52550 1 73 . PHE . 52550 1 74 . SER . 52550 1 75 . GLY . 52550 1 76 . GLY . 52550 1 77 . SER . 52550 1 78 . SER . 52550 1 79 . GLU . 52550 1 80 . PRO . 52550 1 81 . SER . 52550 1 82 . GLN . 52550 1 83 . PRO . 52550 1 84 . ALA . 52550 1 85 . VAL . 52550 1 86 . GLN . 52550 1 87 . GLN . 52550 1 88 . ALA . 52550 1 89 . PRO . 52550 1 90 . THR . 52550 1 91 . PRO . 52550 1 92 . ALA . 52550 1 93 . ALA . 52550 1 94 . PRO . 52550 1 95 . GLN . 52550 1 96 . PRO . 52550 1 97 . LEU . 52550 1 98 . GLN . 52550 1 99 . MET . 52550 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52550 1 . PRO 2 2 52550 1 . ARG 3 3 52550 1 . GLY 4 4 52550 1 . SER 5 5 52550 1 . ARG 6 6 52550 1 . SER 7 7 52550 1 . ALA 8 8 52550 1 . ALA 9 9 52550 1 . SER 10 10 52550 1 . ARG 11 11 52550 1 . PRO 12 12 52550 1 . ALA 13 13 52550 1 . SER 14 14 52550 1 . ARG 15 15 52550 1 . PRO 16 16 52550 1 . ALA 17 17 52550 1 . ALA 18 18 52550 1 . PRO 19 19 52550 1 . SER 20 20 52550 1 . ALA 21 21 52550 1 . HIS 22 22 52550 1 . PRO 23 23 52550 1 . PRO 24 24 52550 1 . ALA 25 25 52550 1 . HIS 26 26 52550 1 . PRO 27 27 52550 1 . PRO 28 28 52550 1 . PRO 29 29 52550 1 . SER 30 30 52550 1 . ALA 31 31 52550 1 . ALA 32 32 52550 1 . ALA 33 33 52550 1 . PRO 34 34 52550 1 . ALA 35 35 52550 1 . PRO 36 36 52550 1 . ALA 37 37 52550 1 . PRO 38 38 52550 1 . SER 39 39 52550 1 . GLY 40 40 52550 1 . GLN 41 41 52550 1 . PRO 42 42 52550 1 . GLY 43 43 52550 1 . LEU 44 44 52550 1 . MET 45 45 52550 1 . ALA 46 46 52550 1 . GLN 47 47 52550 1 . MET 48 48 52550 1 . ALA 49 49 52550 1 . THR 50 50 52550 1 . THR 51 51 52550 1 . ALA 52 52 52550 1 . ALA 53 53 52550 1 . GLY 54 54 52550 1 . VAL 55 55 52550 1 . ALA 56 56 52550 1 . VAL 57 57 52550 1 . GLY 58 58 52550 1 . SER 59 59 52550 1 . ALA 60 60 52550 1 . VAL 61 61 52550 1 . GLY 62 62 52550 1 . HIS 63 63 52550 1 . VAL 64 64 52550 1 . MET 65 65 52550 1 . GLY 66 66 52550 1 . SER 67 67 52550 1 . ALA 68 68 52550 1 . LEU 69 69 52550 1 . THR 70 70 52550 1 . GLY 71 71 52550 1 . ALA 72 72 52550 1 . PHE 73 73 52550 1 . SER 74 74 52550 1 . GLY 75 75 52550 1 . GLY 76 76 52550 1 . SER 77 77 52550 1 . SER 78 78 52550 1 . GLU 79 79 52550 1 . PRO 80 80 52550 1 . SER 81 81 52550 1 . GLN 82 82 52550 1 . PRO 83 83 52550 1 . ALA 84 84 52550 1 . VAL 85 85 52550 1 . GLN 86 86 52550 1 . GLN 87 87 52550 1 . ALA 88 88 52550 1 . PRO 89 89 52550 1 . THR 90 90 52550 1 . PRO 91 91 52550 1 . ALA 92 92 52550 1 . ALA 93 93 52550 1 . PRO 94 94 52550 1 . GLN 95 95 52550 1 . PRO 96 96 52550 1 . LEU 97 97 52550 1 . GLN 98 98 52550 1 . MET 99 99 52550 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 52550 _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 . . . . . . . . . . . . . 52550 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 52550 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-28(+) . . . 52550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52550 _Sample.ID 1 _Sample.Name hCHCHD10_NTerm _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hCHCHD10_NTerm '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 52550 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 52550 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52550 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52550 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 52550 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 52550 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'hCHCHD10 NTerm' _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' 100 . mM 52550 1 pH 6.8 . pH 52550 1 pressure 1 . atm 52550 1 temperature 283 . K 52550 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52550 _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 . 52550 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52550 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52550 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52550 _Software.ID 3 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52550 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52550 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52550 4 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 52550 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_Spectrometer _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52550 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52550 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52550 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52550 1 4 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52550 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52550 1 6 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52550 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 52550 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'CHCHD10 N-Terminus' _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 na protons . . . . ppm 0 external indirect 0.251449530 . . . . . 52550 1 H 1 water protons . . . . ppm 4.916 external direct 1 . . . . . 52550 1 N 15 na protons . . . . ppm 0 external indirect 0.101329118 . . . . . 52550 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 52550 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'hCHCHD10 N-Terminus' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52550 1 2 '3D HNCO' . . . 52550 1 3 '3D HNCA' . . . 52550 1 4 '3D HNCACO' . . . 52550 1 5 '3D HNCACB' . . . 52550 1 6 '3D CBCACONH' . . . 52550 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52550 1 2 $software_2 . . 52550 1 3 $software_3 . . 52550 1 4 $software_4 . . 52550 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 176.952 0.05 . . . . . . . 2 PRO C . 52550 1 2 . 1 . 1 2 2 PRO CA C 13 63.316 0.06 . . . . . . . 2 PRO CA . 52550 1 3 . 1 . 1 2 2 PRO CB C 13 31.990 0.05 . . . . . . . 2 PRO CB . 52550 1 4 . 1 . 1 3 3 ARG H H 1 8.631 0.00 . . . . . . . 3 ARG H . 52550 1 5 . 1 . 1 3 3 ARG C C 13 177.037 0.02 . . . . . . . 3 ARG C . 52550 1 6 . 1 . 1 3 3 ARG CA C 13 56.569 0.06 . . . . . . . 3 ARG CA . 52550 1 7 . 1 . 1 3 3 ARG CB C 13 30.513 0.02 . . . . . . . 3 ARG CB . 52550 1 8 . 1 . 1 3 3 ARG N N 15 122.304 0.01 . . . . . . . 3 ARG N . 52550 1 9 . 1 . 1 4 4 GLY H H 1 8.524 0.00 . . . . . . . 4 GLY H . 52550 1 10 . 1 . 1 4 4 GLY C C 13 174.134 0.00 . . . . . . . 4 GLY C . 52550 1 11 . 1 . 1 4 4 GLY CA C 13 45.228 0.05 . . . . . . . 4 GLY CA . 52550 1 12 . 1 . 1 4 4 GLY N N 15 110.640 0.07 . . . . . . . 4 GLY N . 52550 1 13 . 1 . 1 5 5 SER C C 13 174.780 0.00 . . . . . . . 5 SER C . 52550 1 14 . 1 . 1 5 5 SER CA C 13 58.384 0.07 . . . . . . . 5 SER CA . 52550 1 15 . 1 . 1 6 6 ARG H H 1 8.532 0.00 . . . . . . . 6 ARG H . 52550 1 16 . 1 . 1 6 6 ARG C C 13 176.510 0.00 . . . . . . . 6 ARG C . 52550 1 17 . 1 . 1 6 6 ARG CA C 13 56.199 0.07 . . . . . . . 6 ARG CA . 52550 1 18 . 1 . 1 6 6 ARG CB C 13 30.483 0.02 . . . . . . . 6 ARG CB . 52550 1 19 . 1 . 1 6 6 ARG N N 15 123.250 0.03 . . . . . . . 6 ARG N . 52550 1 20 . 1 . 1 7 7 SER H H 1 8.387 0.00 . . . . . . . 7 SER H . 52550 1 21 . 1 . 1 7 7 SER C C 13 174.330 0.07 . . . . . . . 7 SER C . 52550 1 22 . 1 . 1 7 7 SER CA C 13 58.271 0.07 . . . . . . . 7 SER CA . 52550 1 23 . 1 . 1 7 7 SER CB C 13 63.821 0.04 . . . . . . . 7 SER CB . 52550 1 24 . 1 . 1 7 7 SER N N 15 117.314 0.02 . . . . . . . 7 SER N . 52550 1 25 . 1 . 1 8 8 ALA H H 1 8.415 0.01 . . . . . . . 8 ALA H . 52550 1 26 . 1 . 1 8 8 ALA C C 13 177.141 0.00 . . . . . . . 8 ALA C . 52550 1 27 . 1 . 1 8 8 ALA CA C 13 52.543 0.04 . . . . . . . 8 ALA CA . 52550 1 28 . 1 . 1 8 8 ALA CB C 13 19.053 0.00 . . . . . . . 8 ALA CB . 52550 1 29 . 1 . 1 8 8 ALA N N 15 126.329 0.05 . . . . . . . 8 ALA N . 52550 1 30 . 1 . 1 9 9 ALA H H 1 8.261 0.00 . . . . . . . 9 ALA H . 52550 1 31 . 1 . 1 9 9 ALA C C 13 177.805 0.00 . . . . . . . 9 ALA C . 52550 1 32 . 1 . 1 9 9 ALA CA C 13 52.445 0.08 . . . . . . . 9 ALA CA . 52550 1 33 . 1 . 1 9 9 ALA CB C 13 19.018 0.02 . . . . . . . 9 ALA CB . 52550 1 34 . 1 . 1 9 9 ALA N N 15 122.983 0.01 . . . . . . . 9 ALA N . 52550 1 35 . 1 . 1 10 10 SER H H 1 8.229 0.00 . . . . . . . 10 SER H . 52550 1 36 . 1 . 1 10 10 SER C C 13 174.031 0.01 . . . . . . . 10 SER C . 52550 1 37 . 1 . 1 10 10 SER CA C 13 58.200 0.06 . . . . . . . 10 SER CA . 52550 1 38 . 1 . 1 10 10 SER CB C 13 63.796 0.07 . . . . . . . 10 SER CB . 52550 1 39 . 1 . 1 10 10 SER N N 15 115.431 0.09 . . . . . . . 10 SER N . 52550 1 40 . 1 . 1 11 11 ARG H H 1 8.336 0.01 . . . . . . . 11 ARG H . 52550 1 41 . 1 . 1 11 11 ARG CA C 13 54.184 0.05 . . . . . . . 11 ARG CA . 52550 1 42 . 1 . 1 11 11 ARG CB C 13 29.827 0.00 . . . . . . . 11 ARG CB . 52550 1 43 . 1 . 1 11 11 ARG N N 15 123.947 0.05 . . . . . . . 11 ARG N . 52550 1 44 . 1 . 1 12 12 PRO CA C 13 62.952 0.11 . . . . . . . 12 PRO CA . 52550 1 45 . 1 . 1 12 12 PRO CB C 13 32.113 0.00 . . . . . . . 12 PRO CB . 52550 1 46 . 1 . 1 13 13 ALA H H 1 8.540 0.00 . . . . . . . 13 ALA H . 52550 1 47 . 1 . 1 13 13 ALA C C 13 177.841 0.00 . . . . . . . 13 ALA C . 52550 1 48 . 1 . 1 13 13 ALA CA C 13 52.413 0.08 . . . . . . . 13 ALA CA . 52550 1 49 . 1 . 1 13 13 ALA CB C 13 19.040 0.02 . . . . . . . 13 ALA CB . 52550 1 50 . 1 . 1 13 13 ALA N N 15 124.784 0.02 . . . . . . . 13 ALA N . 52550 1 51 . 1 . 1 14 14 SER H H 1 8.349 0.01 . . . . . . . 14 SER H . 52550 1 52 . 1 . 1 14 14 SER C C 13 173.977 0.00 . . . . . . . 14 SER C . 52550 1 53 . 1 . 1 14 14 SER CA C 13 58.096 0.06 . . . . . . . 14 SER CA . 52550 1 54 . 1 . 1 14 14 SER CB C 13 63.827 0.07 . . . . . . . 14 SER CB . 52550 1 55 . 1 . 1 14 14 SER N N 15 115.630 0.02 . . . . . . . 14 SER N . 52550 1 56 . 1 . 1 15 15 ARG H H 1 8.387 0.00 . . . . . . . 15 ARG H . 52550 1 57 . 1 . 1 15 15 ARG C C 13 173.974 0.00 . . . . . . . 15 ARG C . 52550 1 58 . 1 . 1 15 15 ARG CA C 13 53.846 0.05 . . . . . . . 15 ARG CA . 52550 1 59 . 1 . 1 15 15 ARG CB C 13 30.122 0.00 . . . . . . . 15 ARG CB . 52550 1 60 . 1 . 1 15 15 ARG N N 15 124.031 0.02 . . . . . . . 15 ARG N . 52550 1 61 . 1 . 1 17 17 ALA H H 1 8.435 0.00 . . . . . . . 17 ALA H . 52550 1 62 . 1 . 1 17 17 ALA N N 15 124.916 0.00 . . . . . . . 17 ALA N . 52550 1 63 . 1 . 1 18 18 ALA H H 1 8.349 0.00 . . . . . . . 18 ALA H . 52550 1 64 . 1 . 1 18 18 ALA N N 15 125.123 0.00 . . . . . . . 18 ALA N . 52550 1 65 . 1 . 1 19 19 PRO C C 13 176.931 0.00 . . . . . . . 19 PRO C . 52550 1 66 . 1 . 1 19 19 PRO CA C 13 62.967 0.03 . . . . . . . 19 PRO CA . 52550 1 67 . 1 . 1 19 19 PRO CB C 13 31.887 0.01 . . . . . . . 19 PRO CB . 52550 1 68 . 1 . 1 20 20 SER H H 1 8.407 0.00 . . . . . . . 20 SER H . 52550 1 69 . 1 . 1 20 20 SER C C 13 174.162 0.02 . . . . . . . 20 SER C . 52550 1 70 . 1 . 1 20 20 SER CA C 13 58.202 0.06 . . . . . . . 20 SER CA . 52550 1 71 . 1 . 1 20 20 SER CB C 13 63.858 0.05 . . . . . . . 20 SER CB . 52550 1 72 . 1 . 1 20 20 SER N N 15 116.117 0.01 . . . . . . . 20 SER N . 52550 1 73 . 1 . 1 21 21 ALA H H 1 8.405 0.02 . . . . . . . 21 ALA H . 52550 1 74 . 1 . 1 21 21 ALA C C 13 177.084 0.04 . . . . . . . 21 ALA C . 52550 1 75 . 1 . 1 21 21 ALA CA C 13 52.372 0.14 . . . . . . . 21 ALA CA . 52550 1 76 . 1 . 1 21 21 ALA CB C 13 19.006 0.03 . . . . . . . 21 ALA CB . 52550 1 77 . 1 . 1 21 21 ALA N N 15 126.256 0.11 . . . . . . . 21 ALA N . 52550 1 78 . 1 . 1 22 22 HIS H H 1 8.290 0.01 . . . . . . . 22 HIS H . 52550 1 79 . 1 . 1 22 22 HIS C C 13 172.574 0.00 . . . . . . . 22 HIS C . 52550 1 80 . 1 . 1 22 22 HIS CA C 13 53.578 0.09 . . . . . . . 22 HIS CA . 52550 1 81 . 1 . 1 22 22 HIS CB C 13 29.501 0.00 . . . . . . . 22 HIS CB . 52550 1 82 . 1 . 1 22 22 HIS N N 15 119.162 0.15 . . . . . . . 22 HIS N . 52550 1 83 . 1 . 1 24 24 PRO C C 13 176.424 0.00 . . . . . . . 24 PRO C . 52550 1 84 . 1 . 1 24 24 PRO CA C 13 62.924 0.08 . . . . . . . 24 PRO CA . 52550 1 85 . 1 . 1 24 24 PRO CB C 13 31.988 0.02 . . . . . . . 24 PRO CB . 52550 1 86 . 1 . 1 25 25 ALA H H 1 8.481 0.01 . . . . . . . 25 ALA H . 52550 1 87 . 1 . 1 25 25 ALA C C 13 177.236 0.00 . . . . . . . 25 ALA C . 52550 1 88 . 1 . 1 25 25 ALA CA C 13 52.258 0.07 . . . . . . . 25 ALA CA . 52550 1 89 . 1 . 1 25 25 ALA CB C 13 19.013 0.04 . . . . . . . 25 ALA CB . 52550 1 90 . 1 . 1 25 25 ALA N N 15 124.726 0.26 . . . . . . . 25 ALA N . 52550 1 91 . 1 . 1 26 26 HIS H H 1 8.289 0.01 . . . . . . . 26 HIS H . 52550 1 92 . 1 . 1 26 26 HIS C C 13 172.574 0.00 . . . . . . . 26 HIS C . 52550 1 93 . 1 . 1 26 26 HIS CA C 13 53.578 0.09 . . . . . . . 26 HIS CA . 52550 1 94 . 1 . 1 26 26 HIS CB C 13 29.501 0.00 . . . . . . . 26 HIS CB . 52550 1 95 . 1 . 1 26 26 HIS N N 15 119.032 0.19 . . . . . . . 26 HIS N . 52550 1 96 . 1 . 1 30 30 SER H H 1 8.405 0.00 . . . . . . . 30 SER H . 52550 1 97 . 1 . 1 30 30 SER N N 15 116.120 0.00 . . . . . . . 30 SER N . 52550 1 98 . 1 . 1 31 31 ALA C C 13 177.164 0.00 . . . . . . . 31 ALA C . 52550 1 99 . 1 . 1 31 31 ALA CA C 13 52.219 0.03 . . . . . . . 31 ALA CA . 52550 1 100 . 1 . 1 31 31 ALA CB C 13 19.169 0.01 . . . . . . . 31 ALA CB . 52550 1 101 . 1 . 1 32 32 ALA H H 1 8.226 0.00 . . . . . . . 32 ALA H . 52550 1 102 . 1 . 1 32 32 ALA C C 13 177.030 0.00 . . . . . . . 32 ALA C . 52550 1 103 . 1 . 1 32 32 ALA CA C 13 51.975 0.06 . . . . . . . 32 ALA CA . 52550 1 104 . 1 . 1 32 32 ALA CB C 13 19.145 0.01 . . . . . . . 32 ALA CB . 52550 1 105 . 1 . 1 32 32 ALA N N 15 123.499 0.01 . . . . . . . 32 ALA N . 52550 1 106 . 1 . 1 33 33 ALA H H 1 8.289 0.00 . . . . . . . 33 ALA H . 52550 1 107 . 1 . 1 33 33 ALA C C 13 175.281 0.00 . . . . . . . 33 ALA C . 52550 1 108 . 1 . 1 33 33 ALA CA C 13 50.305 0.06 . . . . . . . 33 ALA CA . 52550 1 109 . 1 . 1 33 33 ALA CB C 13 17.909 0.00 . . . . . . . 33 ALA CB . 52550 1 110 . 1 . 1 33 33 ALA N N 15 125.228 0.01 . . . . . . . 33 ALA N . 52550 1 111 . 1 . 1 35 35 ALA H H 1 8.470 0.00 . . . . . . . 35 ALA H . 52550 1 112 . 1 . 1 35 35 ALA N N 15 126.006 0.00 . . . . . . . 35 ALA N . 52550 1 113 . 1 . 1 37 37 ALA H H 1 8.459 0.00 . . . . . . . 37 ALA H . 52550 1 114 . 1 . 1 37 37 ALA N N 15 125.994 0.00 . . . . . . . 37 ALA N . 52550 1 115 . 1 . 1 38 38 PRO C C 13 176.951 0.00 . . . . . . . 38 PRO C . 52550 1 116 . 1 . 1 38 38 PRO CA C 13 63.021 0.05 . . . . . . . 38 PRO CA . 52550 1 117 . 1 . 1 38 38 PRO CB C 13 31.921 0.01 . . . . . . . 38 PRO CB . 52550 1 118 . 1 . 1 39 39 SER H H 1 8.486 0.00 . . . . . . . 39 SER H . 52550 1 119 . 1 . 1 39 39 SER C C 13 175.105 0.00 . . . . . . . 39 SER C . 52550 1 120 . 1 . 1 39 39 SER CA C 13 58.365 0.06 . . . . . . . 39 SER CA . 52550 1 121 . 1 . 1 39 39 SER CB C 13 63.855 0.06 . . . . . . . 39 SER CB . 52550 1 122 . 1 . 1 39 39 SER N N 15 116.356 0.04 . . . . . . . 39 SER N . 52550 1 123 . 1 . 1 40 40 GLY H H 1 8.463 0.00 . . . . . . . 40 GLY H . 52550 1 124 . 1 . 1 40 40 GLY C C 13 173.729 0.00 . . . . . . . 40 GLY C . 52550 1 125 . 1 . 1 40 40 GLY CA C 13 45.075 0.07 . . . . . . . 40 GLY CA . 52550 1 126 . 1 . 1 40 40 GLY N N 15 110.775 0.01 . . . . . . . 40 GLY N . 52550 1 127 . 1 . 1 41 41 GLN H H 1 8.256 0.00 . . . . . . . 41 GLN H . 52550 1 128 . 1 . 1 41 41 GLN C C 13 174.072 0.00 . . . . . . . 41 GLN C . 52550 1 129 . 1 . 1 41 41 GLN CA C 13 53.740 0.06 . . . . . . . 41 GLN CA . 52550 1 130 . 1 . 1 41 41 GLN CB C 13 28.815 0.00 . . . . . . . 41 GLN CB . 52550 1 131 . 1 . 1 41 41 GLN N N 15 120.765 0.02 . . . . . . . 41 GLN N . 52550 1 132 . 1 . 1 42 42 PRO C C 13 177.610 0.01 . . . . . . . 42 PRO C . 52550 1 133 . 1 . 1 42 42 PRO CA C 13 63.570 0.04 . . . . . . . 42 PRO CA . 52550 1 134 . 1 . 1 42 42 PRO CB C 13 31.910 0.02 . . . . . . . 42 PRO CB . 52550 1 135 . 1 . 1 43 43 GLY H H 1 8.529 0.00 . . . . . . . 43 GLY H . 52550 1 136 . 1 . 1 43 43 GLY C C 13 174.198 0.01 . . . . . . . 43 GLY C . 52550 1 137 . 1 . 1 43 43 GLY CA C 13 45.218 0.07 . . . . . . . 43 GLY CA . 52550 1 138 . 1 . 1 43 43 GLY N N 15 109.072 0.02 . . . . . . . 43 GLY N . 52550 1 139 . 1 . 1 44 44 LEU H H 1 8.104 0.14 . . . . . . . 44 LEU H . 52550 1 140 . 1 . 1 44 44 LEU C C 13 177.774 0.00 . . . . . . . 44 LEU C . 52550 1 141 . 1 . 1 44 44 LEU CA C 13 55.516 0.10 . . . . . . . 44 LEU CA . 52550 1 142 . 1 . 1 44 44 LEU CB C 13 42.261 0.05 . . . . . . . 44 LEU CB . 52550 1 143 . 1 . 1 44 44 LEU N N 15 121.701 0.01 . . . . . . . 44 LEU N . 52550 1 144 . 1 . 1 45 45 MET H H 1 8.365 0.08 . . . . . . . 45 MET H . 52550 1 145 . 1 . 1 45 45 MET C C 13 176.400 0.00 . . . . . . . 45 MET C . 52550 1 146 . 1 . 1 45 45 MET CA C 13 55.611 0.05 . . . . . . . 45 MET CA . 52550 1 147 . 1 . 1 45 45 MET CB C 13 32.351 0.09 . . . . . . . 45 MET CB . 52550 1 148 . 1 . 1 45 45 MET N N 15 120.865 0.02 . . . . . . . 45 MET N . 52550 1 149 . 1 . 1 46 46 ALA H H 1 8.283 0.04 . . . . . . . 46 ALA H . 52550 1 150 . 1 . 1 46 46 ALA C C 13 177.866 0.00 . . . . . . . 46 ALA C . 52550 1 151 . 1 . 1 46 46 ALA CA C 13 52.625 0.09 . . . . . . . 46 ALA CA . 52550 1 152 . 1 . 1 46 46 ALA CB C 13 18.972 0.02 . . . . . . . 46 ALA CB . 52550 1 153 . 1 . 1 46 46 ALA N N 15 124.944 0.13 . . . . . . . 46 ALA N . 52550 1 154 . 1 . 1 47 47 GLN H H 1 8.317 0.01 . . . . . . . 47 GLN H . 52550 1 155 . 1 . 1 47 47 GLN C C 13 176.189 0.06 . . . . . . . 47 GLN C . 52550 1 156 . 1 . 1 47 47 GLN CA C 13 55.814 0.18 . . . . . . . 47 GLN CA . 52550 1 157 . 1 . 1 47 47 GLN CB C 13 29.226 0.07 . . . . . . . 47 GLN CB . 52550 1 158 . 1 . 1 47 47 GLN N N 15 119.269 0.10 . . . . . . . 47 GLN N . 52550 1 159 . 1 . 1 48 48 MET H H 1 8.362 0.00 . . . . . . . 48 MET H . 52550 1 160 . 1 . 1 48 48 MET C C 13 176.102 0.00 . . . . . . . 48 MET C . 52550 1 161 . 1 . 1 48 48 MET CA C 13 55.618 0.06 . . . . . . . 48 MET CA . 52550 1 162 . 1 . 1 48 48 MET CB C 13 32.770 0.04 . . . . . . . 48 MET CB . 52550 1 163 . 1 . 1 48 48 MET N N 15 121.533 0.02 . . . . . . . 48 MET N . 52550 1 164 . 1 . 1 49 49 ALA H H 1 8.372 0.00 . . . . . . . 49 ALA H . 52550 1 165 . 1 . 1 49 49 ALA C C 13 177.998 0.00 . . . . . . . 49 ALA C . 52550 1 166 . 1 . 1 49 49 ALA CA C 13 52.627 0.05 . . . . . . . 49 ALA CA . 52550 1 167 . 1 . 1 49 49 ALA CB C 13 19.095 0.03 . . . . . . . 49 ALA CB . 52550 1 168 . 1 . 1 49 49 ALA N N 15 125.253 0.06 . . . . . . . 49 ALA N . 52550 1 169 . 1 . 1 50 50 THR H H 1 8.214 0.00 . . . . . . . 50 THR H . 52550 1 170 . 1 . 1 50 50 THR C C 13 174.868 0.00 . . . . . . . 50 THR C . 52550 1 171 . 1 . 1 50 50 THR CA C 13 61.831 0.10 . . . . . . . 50 THR CA . 52550 1 172 . 1 . 1 50 50 THR CB C 13 69.858 0.10 . . . . . . . 50 THR CB . 52550 1 173 . 1 . 1 50 50 THR N N 15 113.515 0.02 . . . . . . . 50 THR N . 52550 1 174 . 1 . 1 51 51 THR H H 1 8.179 0.00 . . . . . . . 51 THR H . 52550 1 175 . 1 . 1 51 51 THR C C 13 174.385 0.07 . . . . . . . 51 THR C . 52550 1 176 . 1 . 1 51 51 THR CA C 13 61.801 0.10 . . . . . . . 51 THR CA . 52550 1 177 . 1 . 1 51 51 THR CB C 13 69.951 0.07 . . . . . . . 51 THR CB . 52550 1 178 . 1 . 1 51 51 THR N N 15 116.285 0.01 . . . . . . . 51 THR N . 52550 1 179 . 1 . 1 52 52 ALA H H 1 8.420 0.00 . . . . . . . 52 ALA H . 52550 1 180 . 1 . 1 52 52 ALA C C 13 177.537 0.00 . . . . . . . 52 ALA C . 52550 1 181 . 1 . 1 52 52 ALA CA C 13 52.560 0.04 . . . . . . . 52 ALA CA . 52550 1 182 . 1 . 1 52 52 ALA CB C 13 19.012 0.03 . . . . . . . 52 ALA CB . 52550 1 183 . 1 . 1 52 52 ALA N N 15 126.516 0.11 . . . . . . . 52 ALA N . 52550 1 184 . 1 . 1 53 53 ALA H H 1 8.270 0.01 . . . . . . . 53 ALA H . 52550 1 185 . 1 . 1 53 53 ALA C C 13 178.304 0.01 . . . . . . . 53 ALA C . 52550 1 186 . 1 . 1 53 53 ALA CA C 13 52.594 0.05 . . . . . . . 53 ALA CA . 52550 1 187 . 1 . 1 53 53 ALA CB C 13 18.989 0.01 . . . . . . . 53 ALA CB . 52550 1 188 . 1 . 1 53 53 ALA N N 15 123.034 0.03 . . . . . . . 53 ALA N . 52550 1 189 . 1 . 1 54 54 GLY H H 1 8.308 0.00 . . . . . . . 54 GLY H . 52550 1 190 . 1 . 1 54 54 GLY C C 13 173.971 0.00 . . . . . . . 54 GLY C . 52550 1 191 . 1 . 1 54 54 GLY CA C 13 45.164 0.07 . . . . . . . 54 GLY CA . 52550 1 192 . 1 . 1 54 54 GLY N N 15 108.044 0.01 . . . . . . . 54 GLY N . 52550 1 193 . 1 . 1 55 55 VAL H H 1 7.878 0.00 . . . . . . . 55 VAL H . 52550 1 194 . 1 . 1 55 55 VAL C C 13 175.854 0.00 . . . . . . . 55 VAL C . 52550 1 195 . 1 . 1 55 55 VAL CA C 13 62.028 0.06 . . . . . . . 55 VAL CA . 52550 1 196 . 1 . 1 55 55 VAL CB C 13 32.639 0.04 . . . . . . . 55 VAL CB . 52550 1 197 . 1 . 1 55 55 VAL N N 15 119.498 0.00 . . . . . . . 55 VAL N . 52550 1 198 . 1 . 1 56 56 ALA H H 1 8.459 0.00 . . . . . . . 56 ALA H . 52550 1 199 . 1 . 1 56 56 ALA C C 13 177.738 0.01 . . . . . . . 56 ALA C . 52550 1 200 . 1 . 1 56 56 ALA CA C 13 52.307 0.08 . . . . . . . 56 ALA CA . 52550 1 201 . 1 . 1 56 56 ALA CB C 13 18.951 0.00 . . . . . . . 56 ALA CB . 52550 1 202 . 1 . 1 56 56 ALA N N 15 128.336 0.02 . . . . . . . 56 ALA N . 52550 1 203 . 1 . 1 57 57 VAL H H 1 8.244 0.01 . . . . . . . 57 VAL H . 52550 1 204 . 1 . 1 57 57 VAL C C 13 176.856 0.00 . . . . . . . 57 VAL C . 52550 1 205 . 1 . 1 57 57 VAL CA C 13 62.588 0.05 . . . . . . . 57 VAL CA . 52550 1 206 . 1 . 1 57 57 VAL CB C 13 32.549 0.03 . . . . . . . 57 VAL CB . 52550 1 207 . 1 . 1 57 57 VAL N N 15 120.486 0.11 . . . . . . . 57 VAL N . 52550 1 208 . 1 . 1 58 58 GLY H H 1 8.556 0.00 . . . . . . . 58 GLY H . 52550 1 209 . 1 . 1 58 58 GLY C C 13 174.132 0.01 . . . . . . . 58 GLY C . 52550 1 210 . 1 . 1 58 58 GLY CA C 13 45.190 0.06 . . . . . . . 58 GLY CA . 52550 1 211 . 1 . 1 58 58 GLY N N 15 112.813 0.01 . . . . . . . 58 GLY N . 52550 1 212 . 1 . 1 59 59 SER H H 1 8.222 0.00 . . . . . . . 59 SER H . 52550 1 213 . 1 . 1 59 59 SER C C 13 174.263 0.03 . . . . . . . 59 SER C . 52550 1 214 . 1 . 1 59 59 SER CA C 13 58.236 0.05 . . . . . . . 59 SER CA . 52550 1 215 . 1 . 1 59 59 SER CB C 13 63.849 0.04 . . . . . . . 59 SER CB . 52550 1 216 . 1 . 1 59 59 SER N N 15 115.711 0.07 . . . . . . . 59 SER N . 52550 1 217 . 1 . 1 60 60 ALA H H 1 8.419 0.00 . . . . . . . 60 ALA H . 52550 1 218 . 1 . 1 60 60 ALA C C 13 177.646 0.07 . . . . . . . 60 ALA C . 52550 1 219 . 1 . 1 60 60 ALA CA C 13 52.465 0.09 . . . . . . . 60 ALA CA . 52550 1 220 . 1 . 1 60 60 ALA CB C 13 19.067 0.02 . . . . . . . 60 ALA CB . 52550 1 221 . 1 . 1 60 60 ALA N N 15 126.310 0.08 . . . . . . . 60 ALA N . 52550 1 222 . 1 . 1 61 61 VAL H H 1 8.094 0.00 . . . . . . . 61 VAL H . 52550 1 223 . 1 . 1 61 61 VAL C C 13 176.725 0.00 . . . . . . . 61 VAL C . 52550 1 224 . 1 . 1 61 61 VAL CA C 13 62.553 0.05 . . . . . . . 61 VAL CA . 52550 1 225 . 1 . 1 61 61 VAL CB C 13 32.418 0.04 . . . . . . . 61 VAL CB . 52550 1 226 . 1 . 1 61 61 VAL N N 15 119.243 0.00 . . . . . . . 61 VAL N . 52550 1 227 . 1 . 1 62 62 GLY H H 1 8.457 0.00 . . . . . . . 62 GLY H . 52550 1 228 . 1 . 1 62 62 GLY C C 13 173.637 0.00 . . . . . . . 62 GLY C . 52550 1 229 . 1 . 1 62 62 GLY CA C 13 45.049 0.07 . . . . . . . 62 GLY CA . 52550 1 230 . 1 . 1 62 62 GLY N N 15 112.304 0.02 . . . . . . . 62 GLY N . 52550 1 231 . 1 . 1 63 63 HIS H H 1 8.207 0.00 . . . . . . . 63 HIS H . 52550 1 232 . 1 . 1 63 63 HIS C C 13 175.008 0.00 . . . . . . . 63 HIS C . 52550 1 233 . 1 . 1 63 63 HIS CA C 13 55.915 0.07 . . . . . . . 63 HIS CA . 52550 1 234 . 1 . 1 63 63 HIS CB C 13 30.424 0.01 . . . . . . . 63 HIS CB . 52550 1 235 . 1 . 1 63 63 HIS N N 15 119.545 0.01 . . . . . . . 63 HIS N . 52550 1 236 . 1 . 1 64 64 VAL H H 1 8.218 0.00 . . . . . . . 64 VAL H . 52550 1 237 . 1 . 1 64 64 VAL C C 13 176.071 0.00 . . . . . . . 64 VAL C . 52550 1 238 . 1 . 1 64 64 VAL CA C 13 62.267 0.04 . . . . . . . 64 VAL CA . 52550 1 239 . 1 . 1 64 64 VAL CB C 13 32.548 0.03 . . . . . . . 64 VAL CB . 52550 1 240 . 1 . 1 64 64 VAL N N 15 122.874 0.01 . . . . . . . 64 VAL N . 52550 1 241 . 1 . 1 65 65 MET H H 1 8.645 0.00 . . . . . . . 65 MET H . 52550 1 242 . 1 . 1 65 65 MET C C 13 176.752 0.00 . . . . . . . 65 MET C . 52550 1 243 . 1 . 1 65 65 MET CA C 13 55.512 0.04 . . . . . . . 65 MET CA . 52550 1 244 . 1 . 1 65 65 MET CB C 13 32.475 0.05 . . . . . . . 65 MET CB . 52550 1 245 . 1 . 1 65 65 MET N N 15 125.106 0.06 . . . . . . . 65 MET N . 52550 1 246 . 1 . 1 66 66 GLY H H 1 8.535 0.00 . . . . . . . 66 GLY H . 52550 1 247 . 1 . 1 66 66 GLY C C 13 174.158 0.02 . . . . . . . 66 GLY C . 52550 1 248 . 1 . 1 66 66 GLY CA C 13 45.163 0.08 . . . . . . . 66 GLY CA . 52550 1 249 . 1 . 1 66 66 GLY N N 15 110.881 0.09 . . . . . . . 66 GLY N . 52550 1 250 . 1 . 1 67 67 SER H H 1 8.277 0.00 . . . . . . . 67 SER H . 52550 1 251 . 1 . 1 67 67 SER C C 13 174.772 0.00 . . . . . . . 67 SER C . 52550 1 252 . 1 . 1 67 67 SER CA C 13 58.403 0.03 . . . . . . . 67 SER CA . 52550 1 253 . 1 . 1 67 67 SER CB C 13 63.908 0.00 . . . . . . . 67 SER CB . 52550 1 254 . 1 . 1 67 67 SER N N 15 115.886 0.02 . . . . . . . 67 SER N . 52550 1 255 . 1 . 1 68 68 ALA C C 13 177.780 0.04 . . . . . . . 68 ALA C . 52550 1 256 . 1 . 1 68 68 ALA CA C 13 52.479 0.08 . . . . . . . 68 ALA CA . 52550 1 257 . 1 . 1 68 68 ALA N N 15 123.238 0.00 . . . . . . . 68 ALA N . 52550 1 258 . 1 . 1 69 69 LEU H H 1 8.262 0.01 . . . . . . . 69 LEU H . 52550 1 259 . 1 . 1 69 69 LEU C C 13 177.727 0.01 . . . . . . . 69 LEU C . 52550 1 260 . 1 . 1 69 69 LEU CA C 13 55.237 0.07 . . . . . . . 69 LEU CA . 52550 1 261 . 1 . 1 69 69 LEU CB C 13 42.041 0.06 . . . . . . . 69 LEU CB . 52550 1 262 . 1 . 1 69 69 LEU N N 15 120.826 0.12 . . . . . . . 69 LEU N . 52550 1 263 . 1 . 1 70 70 THR H H 1 8.039 0.00 . . . . . . . 70 THR H . 52550 1 264 . 1 . 1 70 70 THR C C 13 175.045 0.00 . . . . . . . 70 THR C . 52550 1 265 . 1 . 1 70 70 THR CA C 13 61.808 0.10 . . . . . . . 70 THR CA . 52550 1 266 . 1 . 1 70 70 THR CB C 13 69.855 0.07 . . . . . . . 70 THR CB . 52550 1 267 . 1 . 1 70 70 THR N N 15 113.720 0.01 . . . . . . . 70 THR N . 52550 1 268 . 1 . 1 71 71 GLY H H 1 8.378 0.00 . . . . . . . 71 GLY H . 52550 1 269 . 1 . 1 71 71 GLY C C 13 173.824 0.00 . . . . . . . 71 GLY C . 52550 1 270 . 1 . 1 71 71 GLY CA C 13 45.195 0.07 . . . . . . . 71 GLY CA . 52550 1 271 . 1 . 1 71 71 GLY N N 15 111.058 0.02 . . . . . . . 71 GLY N . 52550 1 272 . 1 . 1 72 72 ALA H H 1 8.152 0.00 . . . . . . . 72 ALA H . 52550 1 273 . 1 . 1 72 72 ALA C C 13 177.517 0.00 . . . . . . . 72 ALA C . 52550 1 274 . 1 . 1 72 72 ALA CA C 13 52.531 0.09 . . . . . . . 72 ALA CA . 52550 1 275 . 1 . 1 72 72 ALA CB C 13 19.010 0.04 . . . . . . . 72 ALA CB . 52550 1 276 . 1 . 1 72 72 ALA N N 15 123.719 0.01 . . . . . . . 72 ALA N . 52550 1 277 . 1 . 1 73 73 PHE H H 1 8.325 0.00 . . . . . . . 73 PHE H . 52550 1 278 . 1 . 1 73 73 PHE C C 13 175.965 0.00 . . . . . . . 73 PHE C . 52550 1 279 . 1 . 1 73 73 PHE CA C 13 57.603 0.08 . . . . . . . 73 PHE CA . 52550 1 280 . 1 . 1 73 73 PHE CB C 13 39.321 0.03 . . . . . . . 73 PHE CB . 52550 1 281 . 1 . 1 73 73 PHE N N 15 119.533 0.07 . . . . . . . 73 PHE N . 52550 1 282 . 1 . 1 74 74 SER H H 1 8.287 0.00 . . . . . . . 74 SER H . 52550 1 283 . 1 . 1 74 74 SER C C 13 174.786 0.01 . . . . . . . 74 SER C . 52550 1 284 . 1 . 1 74 74 SER CA C 13 58.163 0.05 . . . . . . . 74 SER CA . 52550 1 285 . 1 . 1 74 74 SER CB C 13 63.803 0.04 . . . . . . . 74 SER CB . 52550 1 286 . 1 . 1 74 74 SER N N 15 118.155 0.01 . . . . . . . 74 SER N . 52550 1 287 . 1 . 1 75 75 GLY H H 1 7.991 0.00 . . . . . . . 75 GLY H . 52550 1 288 . 1 . 1 75 75 GLY C C 13 174.519 0.00 . . . . . . . 75 GLY C . 52550 1 289 . 1 . 1 75 75 GLY CA C 13 45.307 0.07 . . . . . . . 75 GLY CA . 52550 1 290 . 1 . 1 75 75 GLY N N 15 110.609 0.02 . . . . . . . 75 GLY N . 52550 1 291 . 1 . 1 76 76 GLY H H 1 8.284 0.00 . . . . . . . 76 GLY H . 52550 1 292 . 1 . 1 76 76 GLY C C 13 174.113 0.00 . . . . . . . 76 GLY C . 52550 1 293 . 1 . 1 76 76 GLY CA C 13 45.108 0.08 . . . . . . . 76 GLY CA . 52550 1 294 . 1 . 1 76 76 GLY N N 15 108.866 0.01 . . . . . . . 76 GLY N . 52550 1 295 . 1 . 1 77 77 SER H H 1 8.329 0.01 . . . . . . . 77 SER H . 52550 1 296 . 1 . 1 77 77 SER C C 13 174.549 0.01 . . . . . . . 77 SER C . 52550 1 297 . 1 . 1 77 77 SER CA C 13 58.130 0.08 . . . . . . . 77 SER CA . 52550 1 298 . 1 . 1 77 77 SER CB C 13 63.876 0.02 . . . . . . . 77 SER CB . 52550 1 299 . 1 . 1 77 77 SER N N 15 115.656 0.02 . . . . . . . 77 SER N . 52550 1 300 . 1 . 1 78 78 SER H H 1 8.470 0.00 . . . . . . . 78 SER H . 52550 1 301 . 1 . 1 78 78 SER C C 13 174.026 0.01 . . . . . . . 78 SER C . 52550 1 302 . 1 . 1 78 78 SER CA C 13 58.183 0.05 . . . . . . . 78 SER CA . 52550 1 303 . 1 . 1 78 78 SER CB C 13 63.785 0.06 . . . . . . . 78 SER CB . 52550 1 304 . 1 . 1 78 78 SER N N 15 117.997 0.01 . . . . . . . 78 SER N . 52550 1 305 . 1 . 1 79 79 GLU H H 1 8.340 0.01 . . . . . . . 79 GLU H . 52550 1 306 . 1 . 1 79 79 GLU C C 13 174.468 0.00 . . . . . . . 79 GLU C . 52550 1 307 . 1 . 1 79 79 GLU CA C 13 54.225 0.01 . . . . . . . 79 GLU CA . 52550 1 308 . 1 . 1 79 79 GLU CB C 13 29.629 0.00 . . . . . . . 79 GLU CB . 52550 1 309 . 1 . 1 79 79 GLU N N 15 123.899 0.06 . . . . . . . 79 GLU N . 52550 1 310 . 1 . 1 80 80 PRO C C 13 176.951 0.00 . . . . . . . 80 PRO C . 52550 1 311 . 1 . 1 80 80 PRO CA C 13 63.021 0.05 . . . . . . . 80 PRO CA . 52550 1 312 . 1 . 1 80 80 PRO CB C 13 31.921 0.01 . . . . . . . 80 PRO CB . 52550 1 313 . 1 . 1 81 81 SER H H 1 8.483 0.00 . . . . . . . 81 SER H . 52550 1 314 . 1 . 1 81 81 SER C C 13 174.169 0.01 . . . . . . . 81 SER C . 52550 1 315 . 1 . 1 81 81 SER CA C 13 58.336 0.06 . . . . . . . 81 SER CA . 52550 1 316 . 1 . 1 81 81 SER N N 15 116.413 0.06 . . . . . . . 81 SER N . 52550 1 317 . 1 . 1 82 82 GLN H H 1 8.394 0.00 . . . . . . . 82 GLN H . 52550 1 318 . 1 . 1 82 82 GLN C C 13 173.734 0.00 . . . . . . . 82 GLN C . 52550 1 319 . 1 . 1 82 82 GLN CA C 13 53.526 0.09 . . . . . . . 82 GLN CA . 52550 1 320 . 1 . 1 82 82 GLN CB C 13 28.874 0.00 . . . . . . . 82 GLN CB . 52550 1 321 . 1 . 1 82 82 GLN N N 15 122.852 0.02 . . . . . . . 82 GLN N . 52550 1 322 . 1 . 1 83 83 PRO C C 13 176.424 0.00 . . . . . . . 83 PRO C . 52550 1 323 . 1 . 1 83 83 PRO CA C 13 62.924 0.08 . . . . . . . 83 PRO CA . 52550 1 324 . 1 . 1 83 83 PRO CB C 13 31.988 0.02 . . . . . . . 83 PRO CB . 52550 1 325 . 1 . 1 84 84 ALA H H 1 8.487 0.00 . . . . . . . 84 ALA H . 52550 1 326 . 1 . 1 84 84 ALA C C 13 177.797 0.00 . . . . . . . 84 ALA C . 52550 1 327 . 1 . 1 84 84 ALA CA C 13 52.269 0.10 . . . . . . . 84 ALA CA . 52550 1 328 . 1 . 1 84 84 ALA CB C 13 19.012 0.04 . . . . . . . 84 ALA CB . 52550 1 329 . 1 . 1 84 84 ALA N N 15 124.860 0.02 . . . . . . . 84 ALA N . 52550 1 330 . 1 . 1 85 85 VAL H H 1 8.206 0.00 . . . . . . . 85 VAL H . 52550 1 331 . 1 . 1 85 85 VAL C C 13 176.089 0.00 . . . . . . . 85 VAL C . 52550 1 332 . 1 . 1 85 85 VAL CA C 13 62.116 0.03 . . . . . . . 85 VAL CA . 52550 1 333 . 1 . 1 85 85 VAL CB C 13 32.280 0.32 . . . . . . . 85 VAL CB . 52550 1 334 . 1 . 1 85 85 VAL N N 15 120.144 0.01 . . . . . . . 85 VAL N . 52550 1 335 . 1 . 1 86 86 GLN H H 1 8.541 0.00 . . . . . . . 86 GLN H . 52550 1 336 . 1 . 1 86 86 GLN C C 13 175.615 0.00 . . . . . . . 86 GLN C . 52550 1 337 . 1 . 1 86 86 GLN CA C 13 55.562 0.03 . . . . . . . 86 GLN CA . 52550 1 338 . 1 . 1 86 86 GLN CB C 13 29.389 0.00 . . . . . . . 86 GLN CB . 52550 1 339 . 1 . 1 86 86 GLN N N 15 124.949 0.06 . . . . . . . 86 GLN N . 52550 1 340 . 1 . 1 87 87 GLN H H 1 8.538 0.00 . . . . . . . 87 GLN H . 52550 1 341 . 1 . 1 87 87 GLN C C 13 175.239 0.00 . . . . . . . 87 GLN C . 52550 1 342 . 1 . 1 87 87 GLN CA C 13 55.363 0.05 . . . . . . . 87 GLN CA . 52550 1 343 . 1 . 1 87 87 GLN CB C 13 29.529 0.01 . . . . . . . 87 GLN CB . 52550 1 344 . 1 . 1 87 87 GLN N N 15 122.986 0.01 . . . . . . . 87 GLN N . 52550 1 345 . 1 . 1 88 88 ALA H H 1 8.514 0.00 . . . . . . . 88 ALA H . 52550 1 346 . 1 . 1 88 88 ALA C C 13 175.347 0.00 . . . . . . . 88 ALA C . 52550 1 347 . 1 . 1 88 88 ALA CA C 13 50.570 0.09 . . . . . . . 88 ALA CA . 52550 1 348 . 1 . 1 88 88 ALA CB C 13 17.861 0.00 . . . . . . . 88 ALA CB . 52550 1 349 . 1 . 1 88 88 ALA N N 15 127.667 0.01 . . . . . . . 88 ALA N . 52550 1 350 . 1 . 1 89 89 PRO C C 13 176.722 0.00 . . . . . . . 89 PRO C . 52550 1 351 . 1 . 1 89 89 PRO CA C 13 62.755 0.07 . . . . . . . 89 PRO CA . 52550 1 352 . 1 . 1 89 89 PRO CB C 13 31.938 0.02 . . . . . . . 89 PRO CB . 52550 1 353 . 1 . 1 90 90 THR H H 1 8.423 0.00 . . . . . . . 90 THR H . 52550 1 354 . 1 . 1 90 90 THR CA C 13 59.942 0.05 . . . . . . . 90 THR CA . 52550 1 355 . 1 . 1 90 90 THR CB C 13 69.782 0.00 . . . . . . . 90 THR CB . 52550 1 356 . 1 . 1 90 90 THR N N 15 118.087 0.01 . . . . . . . 90 THR N . 52550 1 357 . 1 . 1 92 92 ALA H H 1 8.435 0.00 . . . . . . . 92 ALA H . 52550 1 358 . 1 . 1 92 92 ALA N N 15 124.916 0.00 . . . . . . . 92 ALA N . 52550 1 359 . 1 . 1 93 93 ALA H H 1 8.350 0.00 . . . . . . . 93 ALA H . 52550 1 360 . 1 . 1 93 93 ALA N N 15 125.134 0.00 . . . . . . . 93 ALA N . 52550 1 361 . 1 . 1 94 94 PRO C C 13 176.654 0.00 . . . . . . . 94 PRO C . 52550 1 362 . 1 . 1 94 94 PRO CA C 13 62.804 0.07 . . . . . . . 94 PRO CA . 52550 1 363 . 1 . 1 94 94 PRO CB C 13 31.914 0.03 . . . . . . . 94 PRO CB . 52550 1 364 . 1 . 1 95 95 GLN H H 1 8.505 0.00 . . . . . . . 95 GLN H . 52550 1 365 . 1 . 1 95 95 GLN C C 13 174.008 0.00 . . . . . . . 95 GLN C . 52550 1 366 . 1 . 1 95 95 GLN CA C 13 53.476 0.09 . . . . . . . 95 GLN CA . 52550 1 367 . 1 . 1 95 95 GLN CB C 13 28.817 0.00 . . . . . . . 95 GLN CB . 52550 1 368 . 1 . 1 95 95 GLN N N 15 121.942 0.01 . . . . . . . 95 GLN N . 52550 1 369 . 1 . 1 96 96 PRO C C 13 176.695 0.04 . . . . . . . 96 PRO C . 52550 1 370 . 1 . 1 96 96 PRO CA C 13 62.958 0.07 . . . . . . . 96 PRO CA . 52550 1 371 . 1 . 1 96 96 PRO CB C 13 32.054 0.02 . . . . . . . 96 PRO CB . 52550 1 372 . 1 . 1 97 97 LEU H H 1 8.469 0.00 . . . . . . . 97 LEU H . 52550 1 373 . 1 . 1 97 97 LEU C C 13 176.636 0.02 . . . . . . . 97 LEU C . 52550 1 374 . 1 . 1 97 97 LEU CA C 13 55.345 0.06 . . . . . . . 97 LEU CA . 52550 1 375 . 1 . 1 97 97 LEU CB C 13 42.020 0.05 . . . . . . . 97 LEU CB . 52550 1 376 . 1 . 1 97 97 LEU N N 15 123.007 0.01 . . . . . . . 97 LEU N . 52550 1 377 . 1 . 1 98 98 GLN H H 1 7.922 0.00 . . . . . . . 98 GLN H . 52550 1 378 . 1 . 1 98 98 GLN C C 13 180.348 0.00 . . . . . . . 98 GLN C . 52550 1 379 . 1 . 1 98 98 GLN CA C 13 57.122 0.03 . . . . . . . 98 GLN CA . 52550 1 380 . 1 . 1 98 98 GLN CB C 13 30.401 0.00 . . . . . . . 98 GLN CB . 52550 1 381 . 1 . 1 98 98 GLN N N 15 125.521 0.01 . . . . . . . 98 GLN N . 52550 1 stop_ save_