data_53393 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53393 _Entry.Title ; Human PPARa AB domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-16 _Entry.Accession_date 2025-10-16 _Entry.Last_release_date 2025-10-16 _Entry.Original_release_date 2025-10-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 1 _Entry.Generated_software_label $software_1 _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 'Milena Rankilde' Lalic . . . 0009-0007-9790-7846 53393 2 'Birthe Brandt' Kragelund . . . 0000-0002-7454-1761 53393 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53393 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 182 53393 '15N chemical shifts' 88 53393 '1H chemical shifts' 88 53393 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 . . 2026-09-08 . original BMRB . 53393 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53394 'PPARg2 AB domain' 53393 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53393 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1038/s41467-026-76962-x _Citation.Full_citation . _Citation.Title ; Autoinhibition of untimely DNA binding by structural disorder in the full-length peroxisome proliferator-activated receptors (PPARs) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature Communications' _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 2026 _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 Milena Lalic . R. . . 53393 1 2 Elisabeth Thomsen . G.K. . . 53393 1 3 F. Thomasen . E. . . 53393 1 4 Aditya Udupa . . . . 53393 1 5 Emma Andersen . S. . . 53393 1 6 Sonja Kuppermann . . . . 53393 1 7 Casper Christensen . G. . . 53393 1 8 Emma Holm-Olesen . . . . 53393 1 9 Daniel Saar . . . . 53393 1 10 Andreas Prestel . . . . 53393 1 11 Lukas Bauer . W. . . 53393 1 12 Joseph McKenna . . . . 53393 1 13 Johan Olsen . G. . . 53393 1 14 Susanne Mandrup . . . . 53393 1 15 Rasmus Hartmann-Petersen . . . . 53393 1 16 Cy Jeffries . M. . . 53393 1 17 Max Staller . V. . . 53393 1 18 Kresten Lindorff-Larsen . . . . 53393 1 19 Birthe Kragelund . B. . . 53393 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53393 _Assembly.ID 1 _Assembly.Name 'PPARa AB domain' _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 'PPARa AB domain' 1 $entity_1 . . yes native no no . . . 53393 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53393 _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 ; MVDTESPLCPLSPLEAGDLE SPLSEEFLQEMGNIQEISQS IGEDSSGSFGFTEYQYLGSC PGSDGSVITDTLSPASSPSS VTYPVVPGSVDESPSGALNI ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 53393 1 2 . VAL . 53393 1 3 . ASP . 53393 1 4 . THR . 53393 1 5 . GLU . 53393 1 6 . SER . 53393 1 7 . PRO . 53393 1 8 . LEU . 53393 1 9 . CYS . 53393 1 10 . PRO . 53393 1 11 . LEU . 53393 1 12 . SER . 53393 1 13 . PRO . 53393 1 14 . LEU . 53393 1 15 . GLU . 53393 1 16 . ALA . 53393 1 17 . GLY . 53393 1 18 . ASP . 53393 1 19 . LEU . 53393 1 20 . GLU . 53393 1 21 . SER . 53393 1 22 . PRO . 53393 1 23 . LEU . 53393 1 24 . SER . 53393 1 25 . GLU . 53393 1 26 . GLU . 53393 1 27 . PHE . 53393 1 28 . LEU . 53393 1 29 . GLN . 53393 1 30 . GLU . 53393 1 31 . MET . 53393 1 32 . GLY . 53393 1 33 . ASN . 53393 1 34 . ILE . 53393 1 35 . GLN . 53393 1 36 . GLU . 53393 1 37 . ILE . 53393 1 38 . SER . 53393 1 39 . GLN . 53393 1 40 . SER . 53393 1 41 . ILE . 53393 1 42 . GLY . 53393 1 43 . GLU . 53393 1 44 . ASP . 53393 1 45 . SER . 53393 1 46 . SER . 53393 1 47 . GLY . 53393 1 48 . SER . 53393 1 49 . PHE . 53393 1 50 . GLY . 53393 1 51 . PHE . 53393 1 52 . THR . 53393 1 53 . GLU . 53393 1 54 . TYR . 53393 1 55 . GLN . 53393 1 56 . TYR . 53393 1 57 . LEU . 53393 1 58 . GLY . 53393 1 59 . SER . 53393 1 60 . CYS . 53393 1 61 . PRO . 53393 1 62 . GLY . 53393 1 63 . SER . 53393 1 64 . ASP . 53393 1 65 . GLY . 53393 1 66 . SER . 53393 1 67 . VAL . 53393 1 68 . ILE . 53393 1 69 . THR . 53393 1 70 . ASP . 53393 1 71 . THR . 53393 1 72 . LEU . 53393 1 73 . SER . 53393 1 74 . PRO . 53393 1 75 . ALA . 53393 1 76 . SER . 53393 1 77 . SER . 53393 1 78 . PRO . 53393 1 79 . SER . 53393 1 80 . SER . 53393 1 81 . VAL . 53393 1 82 . THR . 53393 1 83 . TYR . 53393 1 84 . PRO . 53393 1 85 . VAL . 53393 1 86 . VAL . 53393 1 87 . PRO . 53393 1 88 . GLY . 53393 1 89 . SER . 53393 1 90 . VAL . 53393 1 91 . ASP . 53393 1 92 . GLU . 53393 1 93 . SER . 53393 1 94 . PRO . 53393 1 95 . SER . 53393 1 96 . GLY . 53393 1 97 . ALA . 53393 1 98 . LEU . 53393 1 99 . ASN . 53393 1 100 . ILE . 53393 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 53393 1 . VAL 2 2 53393 1 . ASP 3 3 53393 1 . THR 4 4 53393 1 . GLU 5 5 53393 1 . SER 6 6 53393 1 . PRO 7 7 53393 1 . LEU 8 8 53393 1 . CYS 9 9 53393 1 . PRO 10 10 53393 1 . LEU 11 11 53393 1 . SER 12 12 53393 1 . PRO 13 13 53393 1 . LEU 14 14 53393 1 . GLU 15 15 53393 1 . ALA 16 16 53393 1 . GLY 17 17 53393 1 . ASP 18 18 53393 1 . LEU 19 19 53393 1 . GLU 20 20 53393 1 . SER 21 21 53393 1 . PRO 22 22 53393 1 . LEU 23 23 53393 1 . SER 24 24 53393 1 . GLU 25 25 53393 1 . GLU 26 26 53393 1 . PHE 27 27 53393 1 . LEU 28 28 53393 1 . GLN 29 29 53393 1 . GLU 30 30 53393 1 . MET 31 31 53393 1 . GLY 32 32 53393 1 . ASN 33 33 53393 1 . ILE 34 34 53393 1 . GLN 35 35 53393 1 . GLU 36 36 53393 1 . ILE 37 37 53393 1 . SER 38 38 53393 1 . GLN 39 39 53393 1 . SER 40 40 53393 1 . ILE 41 41 53393 1 . GLY 42 42 53393 1 . GLU 43 43 53393 1 . ASP 44 44 53393 1 . SER 45 45 53393 1 . SER 46 46 53393 1 . GLY 47 47 53393 1 . SER 48 48 53393 1 . PHE 49 49 53393 1 . GLY 50 50 53393 1 . PHE 51 51 53393 1 . THR 52 52 53393 1 . GLU 53 53 53393 1 . TYR 54 54 53393 1 . GLN 55 55 53393 1 . TYR 56 56 53393 1 . LEU 57 57 53393 1 . GLY 58 58 53393 1 . SER 59 59 53393 1 . CYS 60 60 53393 1 . PRO 61 61 53393 1 . GLY 62 62 53393 1 . SER 63 63 53393 1 . ASP 64 64 53393 1 . GLY 65 65 53393 1 . SER 66 66 53393 1 . VAL 67 67 53393 1 . ILE 68 68 53393 1 . THR 69 69 53393 1 . ASP 70 70 53393 1 . THR 71 71 53393 1 . LEU 72 72 53393 1 . SER 73 73 53393 1 . PRO 74 74 53393 1 . ALA 75 75 53393 1 . SER 76 76 53393 1 . SER 77 77 53393 1 . PRO 78 78 53393 1 . SER 79 79 53393 1 . SER 80 80 53393 1 . VAL 81 81 53393 1 . THR 82 82 53393 1 . TYR 83 83 53393 1 . PRO 84 84 53393 1 . VAL 85 85 53393 1 . VAL 86 86 53393 1 . PRO 87 87 53393 1 . GLY 88 88 53393 1 . SER 89 89 53393 1 . VAL 90 90 53393 1 . ASP 91 91 53393 1 . GLU 92 92 53393 1 . SER 93 93 53393 1 . PRO 94 94 53393 1 . SER 95 95 53393 1 . GLY 96 96 53393 1 . ALA 97 97 53393 1 . LEU 98 98 53393 1 . ASN 99 99 53393 1 . ILE 100 100 53393 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 53393 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53393 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 53393 _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 . . pET24a . . . 53393 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53393 _Sample.ID 1 _Sample.Name 'PPARa AB domain' _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 'PPARa AB domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 350 . . uM . . . . 53393 1 2 salt 'natural abundance' . . . . . . 135 . . mM . . . . 53393 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 53393 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Low temp, 135 mM salt' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.135 . M 53393 1 pH 7.3 . pH 53393 1 pressure 1 . atm 53393 1 temperature 278.15 . K 53393 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53393 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53393 1 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 53393 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz (1H) Bruker Avance Neo spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 53393 _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 . . . . . . . . . . . . . . . . . 53393 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53393 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 53393 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53393 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53393 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53393 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 53393 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone shifts' _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' . . . 53393 1 2 '3D HNCACB' . . . 53393 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 . . 53393 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 ASP H H 1 8.66374 0.0 . 1 . . . . . 3 ASP H . 53393 1 2 . 1 . 1 3 3 ASP CA C 13 54.4137 0.0 . 1 . . . . . 3 ASP CA . 53393 1 3 . 1 . 1 3 3 ASP CB C 13 41.11807 0.0 . 1 . . . . . 3 ASP CB . 53393 1 4 . 1 . 1 3 3 ASP N N 15 124.92436 0.0 . 1 . . . . . 3 ASP N . 53393 1 5 . 1 . 1 4 4 THR H H 1 8.25331 0.0 . 1 . . . . . 4 THR H . 53393 1 6 . 1 . 1 4 4 THR CA C 13 62.1429 0.0 . 1 . . . . . 4 THR CA . 53393 1 7 . 1 . 1 4 4 THR CB C 13 69.6324 0.0 . 1 . . . . . 4 THR CB . 53393 1 8 . 1 . 1 4 4 THR N N 15 114.74918 0.0 . 1 . . . . . 4 THR N . 53393 1 9 . 1 . 1 5 5 GLU H H 1 8.48838 0.0 . 1 . . . . . 5 GLU H . 53393 1 10 . 1 . 1 5 5 GLU CA C 13 56.38789 0.0 . 1 . . . . . 5 GLU CA . 53393 1 11 . 1 . 1 5 5 GLU CB C 13 30.32265 0.0 . 1 . . . . . 5 GLU CB . 53393 1 12 . 1 . 1 5 5 GLU N N 15 123.04252 0.0 . 1 . . . . . 5 GLU N . 53393 1 13 . 1 . 1 6 6 SER H H 1 8.44379 0.0 . 1 . . . . . 6 SER H . 53393 1 14 . 1 . 1 6 6 SER CA C 13 56.44448 0.0 . 1 . . . . . 6 SER CA . 53393 1 15 . 1 . 1 6 6 SER CB C 13 63.22984 0.0 . 1 . . . . . 6 SER CB . 53393 1 16 . 1 . 1 6 6 SER N N 15 118.61024 0.0 . 1 . . . . . 6 SER N . 53393 1 17 . 1 . 1 7 7 PRO CA C 13 63.19158 0.0 . 1 . . . . . 7 PRO CA . 53393 1 18 . 1 . 1 7 7 PRO CB C 13 32.227 0.0 . 1 . . . . . 7 PRO CB . 53393 1 19 . 1 . 1 8 8 LEU H H 1 8.44818 0.0 . 1 . . . . . 8 LEU H . 53393 1 20 . 1 . 1 8 8 LEU CA C 13 55.17077 0.0 . 1 . . . . . 8 LEU CA . 53393 1 21 . 1 . 1 8 8 LEU CB C 13 42.39165 0.0 . 1 . . . . . 8 LEU CB . 53393 1 22 . 1 . 1 8 8 LEU N N 15 122.30711 0.0 . 1 . . . . . 8 LEU N . 53393 1 23 . 1 . 1 9 9 CYS H H 1 8.44399 0.0 . 1 . . . . . 9 CYS H . 53393 1 24 . 1 . 1 9 9 CYS CA C 13 55.25121 0.0 . 1 . . . . . 9 CYS CA . 53393 1 25 . 1 . 1 9 9 CYS CB C 13 27.50706 0.0 . 1 . . . . . 9 CYS CB . 53393 1 26 . 1 . 1 9 9 CYS N N 15 122.3113 0.0 . 1 . . . . . 9 CYS N . 53393 1 27 . 1 . 1 10 10 PRO CA C 13 63.12043 0.0 . 1 . . . . . 10 PRO CA . 53393 1 28 . 1 . 1 10 10 PRO CB C 13 32.22445 0.0 . 1 . . . . . 10 PRO CB . 53393 1 29 . 1 . 1 11 11 LEU H H 1 8.54166 0.0 . 1 . . . . . 11 LEU H . 53393 1 30 . 1 . 1 11 11 LEU CA C 13 55.07217 0.0 . 1 . . . . . 11 LEU CA . 53393 1 31 . 1 . 1 11 11 LEU CB C 13 43.37116 0.0 . 1 . . . . . 11 LEU CB . 53393 1 32 . 1 . 1 11 11 LEU N N 15 122.71826 0.0 . 1 . . . . . 11 LEU N . 53393 1 33 . 1 . 1 12 12 SER H H 1 8.5155 0.0 . 1 . . . . . 12 SER H . 53393 1 34 . 1 . 1 12 12 SER CA C 13 56.32803 0.0 . 1 . . . . . 12 SER CA . 53393 1 35 . 1 . 1 12 12 SER CB C 13 63.27818 0.0 . 1 . . . . . 12 SER CB . 53393 1 36 . 1 . 1 12 12 SER N N 15 118.75591 0.0 . 1 . . . . . 12 SER N . 53393 1 37 . 1 . 1 13 13 PRO CA C 13 63.47264 0.0 . 1 . . . . . 13 PRO CA . 53393 1 38 . 1 . 1 13 13 PRO CB C 13 32.09823 0.0 . 1 . . . . . 13 PRO CB . 53393 1 39 . 1 . 1 14 14 LEU H H 1 8.35224 0.0 . 1 . . . . . 14 LEU H . 53393 1 40 . 1 . 1 14 14 LEU CA C 13 55.5616 0.0 . 1 . . . . . 14 LEU CA . 53393 1 41 . 1 . 1 14 14 LEU CB C 13 42.20748 0.0 . 1 . . . . . 14 LEU CB . 53393 1 42 . 1 . 1 14 14 LEU N N 15 121.74666 0.0 . 1 . . . . . 14 LEU N . 53393 1 43 . 1 . 1 15 15 GLU H H 1 8.41888 0.0 . 1 . . . . . 15 GLU H . 53393 1 44 . 1 . 1 15 15 GLU CA C 13 56.35472 0.0 . 1 . . . . . 15 GLU CA . 53393 1 45 . 1 . 1 15 15 GLU CB C 13 30.33441 0.0 . 1 . . . . . 15 GLU CB . 53393 1 46 . 1 . 1 15 15 GLU N N 15 121.86182 0.0 . 1 . . . . . 15 GLU N . 53393 1 47 . 1 . 1 16 16 ALA H H 1 8.48155 0.0 . 1 . . . . . 16 ALA H . 53393 1 48 . 1 . 1 16 16 ALA CA C 13 52.99288 0.0 . 1 . . . . . 16 ALA CA . 53393 1 49 . 1 . 1 16 16 ALA CB C 13 19.23196 0.0 . 1 . . . . . 16 ALA CB . 53393 1 50 . 1 . 1 16 16 ALA N N 15 125.10284 0.0 . 1 . . . . . 16 ALA N . 53393 1 51 . 1 . 1 17 17 GLY H H 1 8.42797 0.0 . 1 . . . . . 17 GLY H . 53393 1 52 . 1 . 1 17 17 GLY CA C 13 45.14222 0.0 . 1 . . . . . 17 GLY CA . 53393 1 53 . 1 . 1 17 17 GLY N N 15 107.92788 0.0 . 1 . . . . . 17 GLY N . 53393 1 54 . 1 . 1 18 18 ASP H H 1 8.30357 0.0 . 1 . . . . . 18 ASP H . 53393 1 55 . 1 . 1 18 18 ASP CA C 13 54.37689 0.0 . 1 . . . . . 18 ASP CA . 53393 1 56 . 1 . 1 18 18 ASP CB C 13 41.19004 0.0 . 1 . . . . . 18 ASP CB . 53393 1 57 . 1 . 1 18 18 ASP N N 15 120.33622 0.0 . 1 . . . . . 18 ASP N . 53393 1 58 . 1 . 1 19 19 LEU H H 1 8.30505 0.0 . 1 . . . . . 19 LEU H . 53393 1 59 . 1 . 1 19 19 LEU CA C 13 55.24709 0.0 . 1 . . . . . 19 LEU CA . 53393 1 60 . 1 . 1 19 19 LEU CB C 13 42.39736 0.0 . 1 . . . . . 19 LEU CB . 53393 1 61 . 1 . 1 19 19 LEU N N 15 122.31888 0.0 . 1 . . . . . 19 LEU N . 53393 1 62 . 1 . 1 20 20 GLU H H 1 8.46034 0.0 . 1 . . . . . 20 GLU H . 53393 1 63 . 1 . 1 20 20 GLU CA C 13 56.38454 0.0 . 1 . . . . . 20 GLU CA . 53393 1 64 . 1 . 1 20 20 GLU CB C 13 30.33715 0.0 . 1 . . . . . 20 GLU CB . 53393 1 65 . 1 . 1 20 20 GLU N N 15 121.60958 0.0 . 1 . . . . . 20 GLU N . 53393 1 66 . 1 . 1 21 21 SER H H 1 8.44971 0.0 . 1 . . . . . 21 SER H . 53393 1 67 . 1 . 1 21 21 SER CA C 13 56.30119 0.0 . 1 . . . . . 21 SER CA . 53393 1 68 . 1 . 1 21 21 SER CB C 13 63.1452 0.0 . 1 . . . . . 21 SER CB . 53393 1 69 . 1 . 1 21 21 SER N N 15 118.60234 0.0 . 1 . . . . . 21 SER N . 53393 1 70 . 1 . 1 22 22 PRO CA C 13 63.12317 0.0 . 1 . . . . . 22 PRO CA . 53393 1 71 . 1 . 1 22 22 PRO CB C 13 32.00022 0.0 . 1 . . . . . 22 PRO CB . 53393 1 72 . 1 . 1 23 23 LEU H H 1 8.45753 0.0 . 1 . . . . . 23 LEU H . 53393 1 73 . 1 . 1 23 23 LEU CA C 13 55.07436 0.0 . 1 . . . . . 23 LEU CA . 53393 1 74 . 1 . 1 23 23 LEU CB C 13 42.12916 0.0 . 1 . . . . . 23 LEU CB . 53393 1 75 . 1 . 1 23 23 LEU N N 15 122.55363 0.0 . 1 . . . . . 23 LEU N . 53393 1 76 . 1 . 1 24 24 SER H H 1 8.41462 0.0 . 1 . . . . . 24 SER H . 53393 1 77 . 1 . 1 24 24 SER CA C 13 58.24842 0.0 . 1 . . . . . 24 SER CA . 53393 1 78 . 1 . 1 24 24 SER CB C 13 63.98038 0.0 . 1 . . . . . 24 SER CB . 53393 1 79 . 1 . 1 24 24 SER N N 15 117.18005 0.0 . 1 . . . . . 24 SER N . 53393 1 80 . 1 . 1 25 25 GLU H H 1 8.68879 0.0 . 1 . . . . . 25 GLU H . 53393 1 81 . 1 . 1 25 25 GLU CA C 13 57.23951 0.0 . 1 . . . . . 25 GLU CA . 53393 1 82 . 1 . 1 25 25 GLU CB C 13 30.08285 0.0 . 1 . . . . . 25 GLU CB . 53393 1 83 . 1 . 1 25 25 GLU N N 15 123.17548 0.0 . 1 . . . . . 25 GLU N . 53393 1 84 . 1 . 1 26 26 GLU H H 1 8.53499 0.0 . 1 . . . . . 26 GLU H . 53393 1 85 . 1 . 1 26 26 GLU CA C 13 57.33418 0.0 . 1 . . . . . 26 GLU CA . 53393 1 86 . 1 . 1 26 26 GLU CB C 13 30.04859 0.0 . 1 . . . . . 26 GLU CB . 53393 1 87 . 1 . 1 26 26 GLU N N 15 121.31081 0.0 . 1 . . . . . 26 GLU N . 53393 1 88 . 1 . 1 27 27 PHE H H 1 8.27823 0.0 . 1 . . . . . 27 PHE H . 53393 1 89 . 1 . 1 27 27 PHE CA C 13 58.25798 0.0 . 1 . . . . . 27 PHE CA . 53393 1 90 . 1 . 1 27 27 PHE CB C 13 39.37628 0.0 . 1 . . . . . 27 PHE CB . 53393 1 91 . 1 . 1 27 27 PHE N N 15 121.29703 0.0 . 1 . . . . . 27 PHE N . 53393 1 92 . 1 . 1 28 28 LEU H H 1 8.19985 0.0 . 1 . . . . . 28 LEU H . 53393 1 93 . 1 . 1 28 28 LEU CA C 13 55.52738 0.0 . 1 . . . . . 28 LEU CA . 53393 1 94 . 1 . 1 28 28 LEU CB C 13 42.2195 0.0 . 1 . . . . . 28 LEU CB . 53393 1 95 . 1 . 1 28 28 LEU N N 15 123.54206 0.0 . 1 . . . . . 28 LEU N . 53393 1 96 . 1 . 1 29 29 GLN H H 1 8.36388 0.0 . 1 . . . . . 29 GLN H . 53393 1 97 . 1 . 1 29 29 GLN CA C 13 56.23946 0.0 . 1 . . . . . 29 GLN CA . 53393 1 98 . 1 . 1 29 29 GLN CB C 13 29.39763 0.0 . 1 . . . . . 29 GLN CB . 53393 1 99 . 1 . 1 29 29 GLN N N 15 121.16724 0.0 . 1 . . . . . 29 GLN N . 53393 1 100 . 1 . 1 30 30 GLU H H 1 8.46862 0.0 . 1 . . . . . 30 GLU H . 53393 1 101 . 1 . 1 30 30 GLU CA C 13 56.87568 0.0 . 1 . . . . . 30 GLU CA . 53393 1 102 . 1 . 1 30 30 GLU CB C 13 30.06842 0.0 . 1 . . . . . 30 GLU CB . 53393 1 103 . 1 . 1 30 30 GLU N N 15 122.24005 0.0 . 1 . . . . . 30 GLU N . 53393 1 104 . 1 . 1 31 31 MET H H 1 8.49848 0.0 . 1 . . . . . 31 MET H . 53393 1 105 . 1 . 1 31 31 MET CA C 13 55.78392 0.0 . 1 . . . . . 31 MET CA . 53393 1 106 . 1 . 1 31 31 MET CB C 13 32.57571 0.0 . 1 . . . . . 31 MET CB . 53393 1 107 . 1 . 1 31 31 MET N N 15 121.34944 0.0 . 1 . . . . . 31 MET N . 53393 1 108 . 1 . 1 32 32 GLY H H 1 8.46238 0.0 . 1 . . . . . 32 GLY H . 53393 1 109 . 1 . 1 32 32 GLY CA C 13 45.40496 0.0 . 1 . . . . . 32 GLY CA . 53393 1 110 . 1 . 1 32 32 GLY N N 15 109.36039 0.0 . 1 . . . . . 32 GLY N . 53393 1 111 . 1 . 1 33 33 ASN H H 1 8.3702 0.0 . 1 . . . . . 33 ASN H . 53393 1 112 . 1 . 1 33 33 ASN CA C 13 53.11558 0.0 . 1 . . . . . 33 ASN CA . 53393 1 113 . 1 . 1 33 33 ASN CB C 13 38.82553 0.0 . 1 . . . . . 33 ASN CB . 53393 1 114 . 1 . 1 33 33 ASN N N 15 118.8546 0.0 . 1 . . . . . 33 ASN N . 53393 1 115 . 1 . 1 34 34 ILE H H 1 8.25842 0.0 . 1 . . . . . 34 ILE H . 53393 1 116 . 1 . 1 34 34 ILE CA C 13 61.53435 0.0 . 1 . . . . . 34 ILE CA . 53393 1 117 . 1 . 1 34 34 ILE CB C 13 38.56759 0.0 . 1 . . . . . 34 ILE CB . 53393 1 118 . 1 . 1 34 34 ILE N N 15 121.72365 0.0 . 1 . . . . . 34 ILE N . 53393 1 119 . 1 . 1 35 35 GLN H H 1 8.56405 0.0 . 1 . . . . . 35 GLN H . 53393 1 120 . 1 . 1 35 35 GLN CA C 13 55.82567 0.0 . 1 . . . . . 35 GLN CA . 53393 1 121 . 1 . 1 35 35 GLN CB C 13 29.46538 0.0 . 1 . . . . . 35 GLN CB . 53393 1 122 . 1 . 1 35 35 GLN N N 15 124.73279 0.0 . 1 . . . . . 35 GLN N . 53393 1 123 . 1 . 1 36 36 GLU H H 1 8.53367 0.0 . 1 . . . . . 36 GLU H . 53393 1 124 . 1 . 1 36 36 GLU CA C 13 56.57614 0.0 . 1 . . . . . 36 GLU CA . 53393 1 125 . 1 . 1 36 36 GLU CB C 13 30.34075 0.0 . 1 . . . . . 36 GLU CB . 53393 1 126 . 1 . 1 36 36 GLU N N 15 123.21207 0.0 . 1 . . . . . 36 GLU N . 53393 1 127 . 1 . 1 37 37 ILE H H 1 8.41654 0.0 . 1 . . . . . 37 ILE H . 53393 1 128 . 1 . 1 37 37 ILE CA C 13 61.2176 0.0 . 1 . . . . . 37 ILE CA . 53393 1 129 . 1 . 1 37 37 ILE CB C 13 38.71876 0.0 . 1 . . . . . 37 ILE CB . 53393 1 130 . 1 . 1 37 37 ILE N N 15 122.91667 0.0 . 1 . . . . . 37 ILE N . 53393 1 131 . 1 . 1 38 38 SER H H 1 8.55645 0.0 . 1 . . . . . 38 SER H . 53393 1 132 . 1 . 1 38 38 SER CA C 13 58.50316 0.0 . 1 . . . . . 38 SER CA . 53393 1 133 . 1 . 1 38 38 SER CB C 13 63.72847 0.0 . 1 . . . . . 38 SER CB . 53393 1 134 . 1 . 1 38 38 SER N N 15 120.4602 0.0 . 1 . . . . . 38 SER N . 53393 1 135 . 1 . 1 39 39 GLN H H 1 8.58105 0.0 . 1 . . . . . 39 GLN H . 53393 1 136 . 1 . 1 39 39 GLN CA C 13 55.7875 0.0 . 1 . . . . . 39 GLN CA . 53393 1 137 . 1 . 1 39 39 GLN CB C 13 29.57154 0.0 . 1 . . . . . 39 GLN CB . 53393 1 138 . 1 . 1 39 39 GLN N N 15 122.91386 0.0 . 1 . . . . . 39 GLN N . 53393 1 139 . 1 . 1 40 40 SER H H 1 8.50137 0.0 . 1 . . . . . 40 SER H . 53393 1 140 . 1 . 1 40 40 SER CA C 13 58.32321 0.0 . 1 . . . . . 40 SER CA . 53393 1 141 . 1 . 1 40 40 SER CB C 13 63.72601 0.0 . 1 . . . . . 40 SER CB . 53393 1 142 . 1 . 1 40 40 SER N N 15 117.71551 0.0 . 1 . . . . . 40 SER N . 53393 1 143 . 1 . 1 41 41 ILE H H 1 8.36457 0.0 . 1 . . . . . 41 ILE H . 53393 1 144 . 1 . 1 41 41 ILE CA C 13 61.55097 0.0 . 1 . . . . . 41 ILE CA . 53393 1 145 . 1 . 1 41 41 ILE CB C 13 38.725 0.0 . 1 . . . . . 41 ILE CB . 53393 1 146 . 1 . 1 41 41 ILE N N 15 122.97311 0.0 . 1 . . . . . 41 ILE N . 53393 1 147 . 1 . 1 42 42 GLY H H 1 8.55799 0.0 . 1 . . . . . 42 GLY H . 53393 1 148 . 1 . 1 42 42 GLY CA C 13 45.10151 0.0 . 1 . . . . . 42 GLY CA . 53393 1 149 . 1 . 1 42 42 GLY N N 15 113.03955 0.0 . 1 . . . . . 42 GLY N . 53393 1 150 . 1 . 1 43 43 GLU H H 1 8.40852 0.0 . 1 . . . . . 43 GLU H . 53393 1 151 . 1 . 1 43 43 GLU CA C 13 56.50534 0.0 . 1 . . . . . 43 GLU CA . 53393 1 152 . 1 . 1 43 43 GLU CB C 13 30.42785 0.0 . 1 . . . . . 43 GLU CB . 53393 1 153 . 1 . 1 43 43 GLU N N 15 120.84539 0.0 . 1 . . . . . 43 GLU N . 53393 1 154 . 1 . 1 44 44 ASP H H 1 8.60506 0.0 . 1 . . . . . 44 ASP H . 53393 1 155 . 1 . 1 44 44 ASP CA C 13 54.24775 0.0 . 1 . . . . . 44 ASP CA . 53393 1 156 . 1 . 1 44 44 ASP CB C 13 41.06432 0.0 . 1 . . . . . 44 ASP CB . 53393 1 157 . 1 . 1 44 44 ASP N N 15 121.72994 0.0 . 1 . . . . . 44 ASP N . 53393 1 158 . 1 . 1 45 45 SER H H 1 8.53914 0.0 . 1 . . . . . 45 SER H . 53393 1 159 . 1 . 1 45 45 SER CA C 13 58.56485 0.0 . 1 . . . . . 45 SER CA . 53393 1 160 . 1 . 1 45 45 SER CB C 13 63.70804 0.0 . 1 . . . . . 45 SER CB . 53393 1 161 . 1 . 1 45 45 SER N N 15 117.66593 0.0 . 1 . . . . . 45 SER N . 53393 1 162 . 1 . 1 46 46 SER H H 1 8.54552 0.0 . 1 . . . . . 46 SER H . 53393 1 163 . 1 . 1 46 46 SER CA C 13 59.29869 0.0 . 1 . . . . . 46 SER CA . 53393 1 164 . 1 . 1 46 46 SER CB C 13 63.64051 0.0 . 1 . . . . . 46 SER CB . 53393 1 165 . 1 . 1 46 46 SER N N 15 118.23129 0.0 . 1 . . . . . 46 SER N . 53393 1 166 . 1 . 1 47 47 GLY H H 1 8.44155 0.0 . 1 . . . . . 47 GLY H . 53393 1 167 . 1 . 1 47 47 GLY CA C 13 45.40906 0.0 . 1 . . . . . 47 GLY CA . 53393 1 168 . 1 . 1 47 47 GLY N N 15 110.86735 0.0 . 1 . . . . . 47 GLY N . 53393 1 169 . 1 . 1 48 48 SER H H 1 8.16879 0.0 . 1 . . . . . 48 SER H . 53393 1 170 . 1 . 1 48 48 SER CA C 13 58.36903 0.0 . 1 . . . . . 48 SER CA . 53393 1 171 . 1 . 1 48 48 SER CB C 13 63.73562 0.0 . 1 . . . . . 48 SER CB . 53393 1 172 . 1 . 1 48 48 SER N N 15 115.71017 0.0 . 1 . . . . . 48 SER N . 53393 1 173 . 1 . 1 49 49 PHE H H 1 8.41937 0.0 . 1 . . . . . 49 PHE H . 53393 1 174 . 1 . 1 49 49 PHE CA C 13 58.23126 0.0 . 1 . . . . . 49 PHE CA . 53393 1 175 . 1 . 1 49 49 PHE CB C 13 39.4149 0.0 . 1 . . . . . 49 PHE CB . 53393 1 176 . 1 . 1 49 49 PHE N N 15 122.27777 0.0 . 1 . . . . . 49 PHE N . 53393 1 177 . 1 . 1 50 50 GLY H H 1 8.37631 0.0 . 1 . . . . . 50 GLY H . 53393 1 178 . 1 . 1 50 50 GLY CA C 13 45.13184 0.0 . 1 . . . . . 50 GLY CA . 53393 1 179 . 1 . 1 50 50 GLY N N 15 110.55768 0.0 . 1 . . . . . 50 GLY N . 53393 1 180 . 1 . 1 51 51 PHE H H 1 8.16222 0.0 . 1 . . . . . 51 PHE H . 53393 1 181 . 1 . 1 51 51 PHE CA C 13 58.01057 0.0 . 1 . . . . . 51 PHE CA . 53393 1 182 . 1 . 1 51 51 PHE CB C 13 39.65319 0.0 . 1 . . . . . 51 PHE CB . 53393 1 183 . 1 . 1 51 51 PHE N N 15 120.34456 0.0 . 1 . . . . . 51 PHE N . 53393 1 184 . 1 . 1 52 52 THR H H 1 8.20606 0.0 . 1 . . . . . 52 THR H . 53393 1 185 . 1 . 1 52 52 THR CA C 13 61.91661 0.0 . 1 . . . . . 52 THR CA . 53393 1 186 . 1 . 1 52 52 THR CB C 13 70.01824 0.0 . 1 . . . . . 52 THR CB . 53393 1 187 . 1 . 1 52 52 THR N N 15 116.81189 0.0 . 1 . . . . . 52 THR N . 53393 1 188 . 1 . 1 53 53 GLU H H 1 8.45435 0.0 . 1 . . . . . 53 GLU H . 53393 1 189 . 1 . 1 53 53 GLU CA C 13 56.84869 0.0 . 1 . . . . . 53 GLU CA . 53393 1 190 . 1 . 1 53 53 GLU CB C 13 30.13852 0.0 . 1 . . . . . 53 GLU CB . 53393 1 191 . 1 . 1 53 53 GLU N N 15 123.28708 0.0 . 1 . . . . . 53 GLU N . 53393 1 192 . 1 . 1 54 54 TYR H H 1 8.30837 0.0 . 1 . . . . . 54 TYR H . 53393 1 193 . 1 . 1 54 54 TYR CA C 13 58.36023 0.0 . 1 . . . . . 54 TYR CA . 53393 1 194 . 1 . 1 54 54 TYR CB C 13 38.60328 0.0 . 1 . . . . . 54 TYR CB . 53393 1 195 . 1 . 1 54 54 TYR N N 15 121.50534 0.0 . 1 . . . . . 54 TYR N . 53393 1 196 . 1 . 1 55 55 GLN H H 1 8.17673 0.0 . 1 . . . . . 55 GLN H . 53393 1 197 . 1 . 1 55 55 GLN CA C 13 55.73276 0.0 . 1 . . . . . 55 GLN CA . 53393 1 198 . 1 . 1 55 55 GLN CB C 13 29.51368 0.0 . 1 . . . . . 55 GLN CB . 53393 1 199 . 1 . 1 55 55 GLN N N 15 122.3616 0.0 . 1 . . . . . 55 GLN N . 53393 1 200 . 1 . 1 56 56 TYR H H 1 8.22431 0.0 . 1 . . . . . 56 TYR H . 53393 1 201 . 1 . 1 56 56 TYR CA C 13 58.05057 0.0 . 1 . . . . . 56 TYR CA . 53393 1 202 . 1 . 1 56 56 TYR CB C 13 38.47192 0.0 . 1 . . . . . 56 TYR CB . 53393 1 203 . 1 . 1 56 56 TYR N N 15 121.58352 0.0 . 1 . . . . . 56 TYR N . 53393 1 204 . 1 . 1 57 57 LEU H H 1 8.28213 0.0 . 1 . . . . . 57 LEU H . 53393 1 205 . 1 . 1 57 57 LEU CA C 13 55.24109 0.0 . 1 . . . . . 57 LEU CA . 53393 1 206 . 1 . 1 57 57 LEU CB C 13 42.22695 0.0 . 1 . . . . . 57 LEU CB . 53393 1 207 . 1 . 1 57 57 LEU N N 15 124.81493 0.0 . 1 . . . . . 57 LEU N . 53393 1 208 . 1 . 1 58 58 GLY H H 1 7.86779 0.0 . 1 . . . . . 58 GLY H . 53393 1 209 . 1 . 1 58 58 GLY CA C 13 45.15664 0.0 . 1 . . . . . 58 GLY CA . 53393 1 210 . 1 . 1 58 58 GLY N N 15 109.04174 0.0 . 1 . . . . . 58 GLY N . 53393 1 211 . 1 . 1 59 59 SER H H 1 8.24198 0.0 . 1 . . . . . 59 SER H . 53393 1 212 . 1 . 1 59 59 SER CA C 13 58.29516 0.0 . 1 . . . . . 59 SER CA . 53393 1 213 . 1 . 1 59 59 SER CB C 13 63.94511 0.0 . 1 . . . . . 59 SER CB . 53393 1 214 . 1 . 1 59 59 SER N N 15 115.13748 0.0 . 1 . . . . . 59 SER N . 53393 1 215 . 1 . 1 60 60 CYS H H 1 8.56152 0.0 . 1 . . . . . 60 CYS H . 53393 1 216 . 1 . 1 60 60 CYS CA C 13 56.5901 0.0 . 1 . . . . . 60 CYS CA . 53393 1 217 . 1 . 1 60 60 CYS CB C 13 27.57978 0.0 . 1 . . . . . 60 CYS CB . 53393 1 218 . 1 . 1 60 60 CYS N N 15 122.50467 0.0 . 1 . . . . . 60 CYS N . 53393 1 219 . 1 . 1 62 62 GLY H H 1 8.67701 0.0 . 1 . . . . . 62 GLY H . 53393 1 220 . 1 . 1 62 62 GLY CA C 13 45.1241 0.0 . 1 . . . . . 62 GLY CA . 53393 1 221 . 1 . 1 62 62 GLY N N 15 110.13124 0.0 . 1 . . . . . 62 GLY N . 53393 1 222 . 1 . 1 63 63 SER H H 1 8.32885 0.0 . 1 . . . . . 63 SER H . 53393 1 223 . 1 . 1 63 63 SER CA C 13 58.55506 0.0 . 1 . . . . . 63 SER CA . 53393 1 224 . 1 . 1 63 63 SER CB C 13 63.9785 0.0 . 1 . . . . . 63 SER CB . 53393 1 225 . 1 . 1 63 63 SER N N 15 115.82325 0.0 . 1 . . . . . 63 SER N . 53393 1 226 . 1 . 1 64 64 ASP H H 1 8.55031 0.0 . 1 . . . . . 64 ASP H . 53393 1 227 . 1 . 1 64 64 ASP CA C 13 54.2248 0.0 . 1 . . . . . 64 ASP CA . 53393 1 228 . 1 . 1 64 64 ASP CB C 13 40.69773 0.0 . 1 . . . . . 64 ASP CB . 53393 1 229 . 1 . 1 64 64 ASP N N 15 122.2818 0.0 . 1 . . . . . 64 ASP N . 53393 1 230 . 1 . 1 65 65 GLY H H 1 8.479 0.0 . 1 . . . . . 65 GLY H . 53393 1 231 . 1 . 1 65 65 GLY CA C 13 45.44713 0.0 . 1 . . . . . 65 GLY CA . 53393 1 232 . 1 . 1 65 65 GLY N N 15 109.73042 0.0 . 1 . . . . . 65 GLY N . 53393 1 233 . 1 . 1 66 66 SER H H 1 8.28438 0.0 . 1 . . . . . 66 SER H . 53393 1 234 . 1 . 1 66 66 SER CA C 13 58.78204 0.0 . 1 . . . . . 66 SER CA . 53393 1 235 . 1 . 1 66 66 SER CB C 13 63.99577 0.0 . 1 . . . . . 66 SER CB . 53393 1 236 . 1 . 1 66 66 SER N N 15 116.27809 0.0 . 1 . . . . . 66 SER N . 53393 1 237 . 1 . 1 67 67 VAL H H 1 8.25251 0.0 . 1 . . . . . 67 VAL H . 53393 1 238 . 1 . 1 67 67 VAL CA C 13 62.35769 0.0 . 1 . . . . . 67 VAL CA . 53393 1 239 . 1 . 1 67 67 VAL CB C 13 32.78297 0.0 . 1 . . . . . 67 VAL CB . 53393 1 240 . 1 . 1 67 67 VAL N N 15 122.04271 0.0 . 1 . . . . . 67 VAL N . 53393 1 241 . 1 . 1 68 68 ILE H H 1 8.49762 0.0 . 1 . . . . . 68 ILE H . 53393 1 242 . 1 . 1 68 68 ILE CA C 13 61.05239 0.0 . 1 . . . . . 68 ILE CA . 53393 1 243 . 1 . 1 68 68 ILE CB C 13 38.35261 0.0 . 1 . . . . . 68 ILE CB . 53393 1 244 . 1 . 1 68 68 ILE N N 15 126.29671 0.0 . 1 . . . . . 68 ILE N . 53393 1 245 . 1 . 1 69 69 THR H H 1 8.38882 0.0 . 1 . . . . . 69 THR H . 53393 1 246 . 1 . 1 69 69 THR CA C 13 61.77192 0.0 . 1 . . . . . 69 THR CA . 53393 1 247 . 1 . 1 69 69 THR CB C 13 69.87397 0.0 . 1 . . . . . 69 THR CB . 53393 1 248 . 1 . 1 69 69 THR N N 15 119.43357 0.0 . 1 . . . . . 69 THR N . 53393 1 249 . 1 . 1 70 70 ASP H H 1 8.46407 0.0 . 1 . . . . . 70 ASP H . 53393 1 250 . 1 . 1 70 70 ASP CA C 13 54.42713 0.0 . 1 . . . . . 70 ASP CA . 53393 1 251 . 1 . 1 70 70 ASP CB C 13 41.27712 0.0 . 1 . . . . . 70 ASP CB . 53393 1 252 . 1 . 1 70 70 ASP N N 15 123.48364 0.0 . 1 . . . . . 70 ASP N . 53393 1 253 . 1 . 1 71 71 THR H H 1 8.25916 0.0 . 1 . . . . . 71 THR H . 53393 1 254 . 1 . 1 71 71 THR CA C 13 62.10785 0.0 . 1 . . . . . 71 THR CA . 53393 1 255 . 1 . 1 71 71 THR CB C 13 69.64771 0.0 . 1 . . . . . 71 THR CB . 53393 1 256 . 1 . 1 71 71 THR N N 15 115.14333 0.0 . 1 . . . . . 71 THR N . 53393 1 257 . 1 . 1 72 72 LEU H H 1 8.39464 0.0 . 1 . . . . . 72 LEU H . 53393 1 258 . 1 . 1 72 72 LEU CA C 13 55.09603 0.0 . 1 . . . . . 72 LEU CA . 53393 1 259 . 1 . 1 72 72 LEU CB C 13 42.2276 0.0 . 1 . . . . . 72 LEU CB . 53393 1 260 . 1 . 1 72 72 LEU N N 15 124.67497 0.0 . 1 . . . . . 72 LEU N . 53393 1 261 . 1 . 1 73 73 SER H H 1 8.43787 0.0 . 1 . . . . . 73 SER H . 53393 1 262 . 1 . 1 73 73 SER CA C 13 56.59927 0.0 . 1 . . . . . 73 SER CA . 53393 1 263 . 1 . 1 73 73 SER CB C 13 63.40152 0.0 . 1 . . . . . 73 SER CB . 53393 1 264 . 1 . 1 73 73 SER N N 15 118.62998 0.0 . 1 . . . . . 73 SER N . 53393 1 265 . 1 . 1 74 74 PRO CA C 13 63.3062 0.0 . 1 . . . . . 74 PRO CA . 53393 1 266 . 1 . 1 74 74 PRO CB C 13 32.04713 0.0 . 1 . . . . . 74 PRO CB . 53393 1 267 . 1 . 1 75 75 ALA H H 1 8.51112 0.0 . 1 . . . . . 75 ALA H . 53393 1 268 . 1 . 1 75 75 ALA CA C 13 52.60494 0.0 . 1 . . . . . 75 ALA CA . 53393 1 269 . 1 . 1 75 75 ALA CB C 13 19.09161 0.0 . 1 . . . . . 75 ALA CB . 53393 1 270 . 1 . 1 75 75 ALA N N 15 124.26048 0.0 . 1 . . . . . 75 ALA N . 53393 1 271 . 1 . 1 76 76 SER H H 1 8.35543 0.0 . 1 . . . . . 76 SER H . 53393 1 272 . 1 . 1 76 76 SER CA C 13 58.26329 0.0 . 1 . . . . . 76 SER CA . 53393 1 273 . 1 . 1 76 76 SER CB C 13 63.94178 0.0 . 1 . . . . . 76 SER CB . 53393 1 274 . 1 . 1 76 76 SER N N 15 115.23762 0.0 . 1 . . . . . 76 SER N . 53393 1 275 . 1 . 1 77 77 SER H H 1 8.43822 0.0 . 1 . . . . . 77 SER H . 53393 1 276 . 1 . 1 77 77 SER CA C 13 56.3976 0.0 . 1 . . . . . 77 SER CA . 53393 1 277 . 1 . 1 77 77 SER CB C 13 63.13861 0.0 . 1 . . . . . 77 SER CB . 53393 1 278 . 1 . 1 77 77 SER N N 15 118.97078 0.0 . 1 . . . . . 77 SER N . 53393 1 279 . 1 . 1 78 78 PRO CB C 13 32.09825 0.0 . 1 . . . . . 78 PRO CB . 53393 1 280 . 1 . 1 79 79 SER H H 1 8.53303 0.0 . 1 . . . . . 79 SER H . 53393 1 281 . 1 . 1 79 79 SER CA C 13 58.49897 0.0 . 1 . . . . . 79 SER CA . 53393 1 282 . 1 . 1 79 79 SER CB C 13 63.79768 0.0 . 1 . . . . . 79 SER CB . 53393 1 283 . 1 . 1 79 79 SER N N 15 116.03018 0.0 . 1 . . . . . 79 SER N . 53393 1 284 . 1 . 1 80 80 SER H H 1 8.41739 0.0 . 1 . . . . . 80 SER H . 53393 1 285 . 1 . 1 80 80 SER CA C 13 58.542 0.0 . 1 . . . . . 80 SER CA . 53393 1 286 . 1 . 1 80 80 SER CB C 13 63.76327 0.0 . 1 . . . . . 80 SER CB . 53393 1 287 . 1 . 1 80 80 SER N N 15 118.28247 0.0 . 1 . . . . . 80 SER N . 53393 1 288 . 1 . 1 81 81 VAL H H 1 8.18145 0.0 . 1 . . . . . 81 VAL H . 53393 1 289 . 1 . 1 81 81 VAL CA C 13 62.35304 0.0 . 1 . . . . . 81 VAL CA . 53393 1 290 . 1 . 1 81 81 VAL CB C 13 32.81924 0.0 . 1 . . . . . 81 VAL CB . 53393 1 291 . 1 . 1 81 81 VAL N N 15 122.36579 0.0 . 1 . . . . . 81 VAL N . 53393 1 292 . 1 . 1 82 82 THR H H 1 8.19124 0.0 . 1 . . . . . 82 THR H . 53393 1 293 . 1 . 1 82 82 THR CA C 13 61.4554 0.0 . 1 . . . . . 82 THR CA . 53393 1 294 . 1 . 1 82 82 THR CB C 13 70.0369 0.0 . 1 . . . . . 82 THR CB . 53393 1 295 . 1 . 1 82 82 THR N N 15 118.73049 0.0 . 1 . . . . . 82 THR N . 53393 1 296 . 1 . 1 83 83 TYR H H 1 8.38822 0.0 . 1 . . . . . 83 TYR H . 53393 1 297 . 1 . 1 83 83 TYR CA C 13 55.77206 0.0 . 1 . . . . . 83 TYR CA . 53393 1 298 . 1 . 1 83 83 TYR CB C 13 38.26443 0.0 . 1 . . . . . 83 TYR CB . 53393 1 299 . 1 . 1 83 83 TYR N N 15 123.89346 0.0 . 1 . . . . . 83 TYR N . 53393 1 300 . 1 . 1 84 84 PRO CA C 13 62.91594 0.0 . 1 . . . . . 84 PRO CA . 53393 1 301 . 1 . 1 84 84 PRO CB C 13 32.0496 0.0 . 1 . . . . . 84 PRO CB . 53393 1 302 . 1 . 1 85 85 VAL H H 1 8.41157 0.0 . 1 . . . . . 85 VAL H . 53393 1 303 . 1 . 1 85 85 VAL CA C 13 62.4388 0.0 . 1 . . . . . 85 VAL CA . 53393 1 304 . 1 . 1 85 85 VAL CB C 13 32.70883 0.0 . 1 . . . . . 85 VAL CB . 53393 1 305 . 1 . 1 85 85 VAL N N 15 121.72668 0.0 . 1 . . . . . 85 VAL N . 53393 1 306 . 1 . 1 86 86 VAL H H 1 8.57996 0.0 . 1 . . . . . 86 VAL H . 53393 1 307 . 1 . 1 86 86 VAL CA C 13 59.90489 0.0 . 1 . . . . . 86 VAL CA . 53393 1 308 . 1 . 1 86 86 VAL CB C 13 32.61003 0.0 . 1 . . . . . 86 VAL CB . 53393 1 309 . 1 . 1 86 86 VAL N N 15 127.6222 0.0 . 1 . . . . . 86 VAL N . 53393 1 310 . 1 . 1 87 87 PRO CA C 13 63.69055 0.0 . 1 . . . . . 87 PRO CA . 53393 1 311 . 1 . 1 87 87 PRO CB C 13 32.07958 0.0 . 1 . . . . . 87 PRO CB . 53393 1 312 . 1 . 1 88 88 GLY H H 1 8.70024 0.0 . 1 . . . . . 88 GLY H . 53393 1 313 . 1 . 1 88 88 GLY CA C 13 45.23801 0.0 . 1 . . . . . 88 GLY CA . 53393 1 314 . 1 . 1 88 88 GLY N N 15 110.24114 0.0 . 1 . . . . . 88 GLY N . 53393 1 315 . 1 . 1 89 89 SER H H 1 8.26956 0.0 . 1 . . . . . 89 SER H . 53393 1 316 . 1 . 1 89 89 SER CA C 13 58.33383 0.0 . 1 . . . . . 89 SER CA . 53393 1 317 . 1 . 1 89 89 SER CB C 13 64.01214 0.0 . 1 . . . . . 89 SER CB . 53393 1 318 . 1 . 1 89 89 SER N N 15 115.83396 0.0 . 1 . . . . . 89 SER N . 53393 1 319 . 1 . 1 90 90 VAL H H 1 8.383 0.0 . 1 . . . . . 90 VAL H . 53393 1 320 . 1 . 1 90 90 VAL CA C 13 62.20098 0.0 . 1 . . . . . 90 VAL CA . 53393 1 321 . 1 . 1 90 90 VAL CB C 13 32.86435 0.0 . 1 . . . . . 90 VAL CB . 53393 1 322 . 1 . 1 90 90 VAL N N 15 121.59098 0.0 . 1 . . . . . 90 VAL N . 53393 1 323 . 1 . 1 91 91 ASP H H 1 8.4834 0.0 . 1 . . . . . 91 ASP H . 53393 1 324 . 1 . 1 91 91 ASP CA C 13 54.37658 0.0 . 1 . . . . . 91 ASP CA . 53393 1 325 . 1 . 1 91 91 ASP CB C 13 41.07639 0.0 . 1 . . . . . 91 ASP CB . 53393 1 326 . 1 . 1 91 91 ASP N N 15 124.15112 0.0 . 1 . . . . . 91 ASP N . 53393 1 327 . 1 . 1 92 92 GLU H H 1 8.47385 0.0 . 1 . . . . . 92 GLU H . 53393 1 328 . 1 . 1 92 92 GLU CA C 13 56.22425 0.0 . 1 . . . . . 92 GLU CA . 53393 1 329 . 1 . 1 92 92 GLU CB C 13 30.36185 0.0 . 1 . . . . . 92 GLU CB . 53393 1 330 . 1 . 1 92 92 GLU N N 15 122.23166 0.0 . 1 . . . . . 92 GLU N . 53393 1 331 . 1 . 1 93 93 SER H H 1 8.58038 0.0 . 1 . . . . . 93 SER H . 53393 1 332 . 1 . 1 93 93 SER CA C 13 56.77515 0.0 . 1 . . . . . 93 SER CA . 53393 1 333 . 1 . 1 93 93 SER CB C 13 63.12078 0.0 . 1 . . . . . 93 SER CB . 53393 1 334 . 1 . 1 93 93 SER N N 15 118.93255 0.0 . 1 . . . . . 93 SER N . 53393 1 335 . 1 . 1 94 94 PRO CB C 13 32.04635 0.0 . 1 . . . . . 94 PRO CB . 53393 1 336 . 1 . 1 95 95 SER H H 1 8.56137 0.0 . 1 . . . . . 95 SER H . 53393 1 337 . 1 . 1 95 95 SER CA C 13 58.62246 0.0 . 1 . . . . . 95 SER CA . 53393 1 338 . 1 . 1 95 95 SER CB C 13 63.82057 0.0 . 1 . . . . . 95 SER CB . 53393 1 339 . 1 . 1 95 95 SER N N 15 116.15936 0.0 . 1 . . . . . 95 SER N . 53393 1 340 . 1 . 1 96 96 GLY H H 1 8.47571 0.0 . 1 . . . . . 96 GLY H . 53393 1 341 . 1 . 1 96 96 GLY CA C 13 45.25309 0.0 . 1 . . . . . 96 GLY CA . 53393 1 342 . 1 . 1 96 96 GLY N N 15 111.38735 0.0 . 1 . . . . . 96 GLY N . 53393 1 343 . 1 . 1 97 97 ALA H H 1 8.19868 0.0 . 1 . . . . . 97 ALA H . 53393 1 344 . 1 . 1 97 97 ALA CA C 13 52.55046 0.0 . 1 . . . . . 97 ALA CA . 53393 1 345 . 1 . 1 97 97 ALA CB C 13 19.22604 0.0 . 1 . . . . . 97 ALA CB . 53393 1 346 . 1 . 1 97 97 ALA N N 15 123.69326 0.0 . 1 . . . . . 97 ALA N . 53393 1 347 . 1 . 1 98 98 LEU H H 1 8.3458 0.0 . 1 . . . . . 98 LEU H . 53393 1 348 . 1 . 1 98 98 LEU CA C 13 53.99769 0.0 . 1 . . . . . 98 LEU CA . 53393 1 349 . 1 . 1 98 98 LEU CB C 13 42.44452 0.0 . 1 . . . . . 98 LEU CB . 53393 1 350 . 1 . 1 98 98 LEU N N 15 120.93295 0.0 . 1 . . . . . 98 LEU N . 53393 1 351 . 1 . 1 99 99 ASN H H 1 8.51139 0.0 . 1 . . . . . 99 ASN H . 53393 1 352 . 1 . 1 99 99 ASN CA C 13 53.23135 0.0 . 1 . . . . . 99 ASN CA . 53393 1 353 . 1 . 1 99 99 ASN CB C 13 38.6535 0.0 . 1 . . . . . 99 ASN CB . 53393 1 354 . 1 . 1 99 99 ASN N N 15 120.20393 0.0 . 1 . . . . . 99 ASN N . 53393 1 355 . 1 . 1 100 100 ILE H H 1 7.71441 0.0 . 1 . . . . . 100 ILE H . 53393 1 356 . 1 . 1 100 100 ILE CA C 13 62.87899 0.0 . 1 . . . . . 100 ILE CA . 53393 1 357 . 1 . 1 100 100 ILE CB C 13 39.67686 0.0 . 1 . . . . . 100 ILE CB . 53393 1 358 . 1 . 1 100 100 ILE N N 15 124.8127 0.0 . 1 . . . . . 100 ILE N . 53393 1 stop_ save_