data_25837 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25837 _Entry.Title ; Chemical shift assignment, NMR constraints and PDB for chromodomain 3 (CD3) of cpSRP43 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-06 _Entry.Accession_date 2015-10-06 _Entry.Last_release_date 2015-12-07 _Entry.Original_release_date 2015-12-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Janosch Hennig . . . 25837 2 Michael Sattler . . . 25837 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25837 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID SRP . 25837 chromodomain . 25837 cpSRP . 25837 'membrane trafficking' . 25837 'plant signaling' . 25837 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25837 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 242 25837 '15N chemical shifts' 67 25837 '1H chemical shifts' 408 25837 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 . . 2015-12-07 . original BMRB . 25837 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N88 'BMRB Entry Tracking System' 25837 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25837 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26568381 _Citation.Full_citation . _Citation.Title ; Structural basis for cpSRP43 chromodomain selectivity and dynamics in Alb3 insertase interaction ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _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 8875 _Citation.Page_last 8875 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Annemarie Horn . . . 25837 1 2 Janosch Hennig . . . 25837 1 3 Yasar Ahmed . L. . 25837 1 4 Gunter Stier . . . 25837 1 5 Klemes Wild . . . 25837 1 6 Michael Sattler . . . 25837 1 7 Irmgard Sinning . . . 25837 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25837 _Assembly.ID 1 _Assembly.Name 'chromodomain 3 (CD3) of cpSRP43' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CD3 1 $CD3 A . yes native no no . . . 25837 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD3 _Entity.Sf_category entity _Entity.Sf_framecode CD3 _Entity.Entry_ID 25837 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GLEYAVAESVIGKRVGDDGK TIEYLVKWTDMSDATWEPQD NVDSTLVLLYQQQQPMNE ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6580.293 _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 49 GLY . 25837 1 2 50 LEU . 25837 1 3 51 GLU . 25837 1 4 52 TYR . 25837 1 5 53 ALA . 25837 1 6 54 VAL . 25837 1 7 55 ALA . 25837 1 8 56 GLU . 25837 1 9 57 SER . 25837 1 10 58 VAL . 25837 1 11 59 ILE . 25837 1 12 60 GLY . 25837 1 13 61 LYS . 25837 1 14 62 ARG . 25837 1 15 63 VAL . 25837 1 16 64 GLY . 25837 1 17 65 ASP . 25837 1 18 66 ASP . 25837 1 19 67 GLY . 25837 1 20 68 LYS . 25837 1 21 69 THR . 25837 1 22 70 ILE . 25837 1 23 71 GLU . 25837 1 24 72 TYR . 25837 1 25 73 LEU . 25837 1 26 74 VAL . 25837 1 27 75 LYS . 25837 1 28 76 TRP . 25837 1 29 77 THR . 25837 1 30 78 ASP . 25837 1 31 79 MET . 25837 1 32 80 SER . 25837 1 33 81 ASP . 25837 1 34 82 ALA . 25837 1 35 83 THR . 25837 1 36 84 TRP . 25837 1 37 85 GLU . 25837 1 38 86 PRO . 25837 1 39 87 GLN . 25837 1 40 88 ASP . 25837 1 41 89 ASN . 25837 1 42 90 VAL . 25837 1 43 91 ASP . 25837 1 44 92 SER . 25837 1 45 93 THR . 25837 1 46 94 LEU . 25837 1 47 95 VAL . 25837 1 48 96 LEU . 25837 1 49 97 LEU . 25837 1 50 98 TYR . 25837 1 51 99 GLN . 25837 1 52 100 GLN . 25837 1 53 101 GLN . 25837 1 54 102 GLN . 25837 1 55 103 PRO . 25837 1 56 104 MET . 25837 1 57 105 ASN . 25837 1 58 106 GLU . 25837 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 . GLY 1 1 25837 1 . LEU 2 2 25837 1 . GLU 3 3 25837 1 . TYR 4 4 25837 1 . ALA 5 5 25837 1 . VAL 6 6 25837 1 . ALA 7 7 25837 1 . GLU 8 8 25837 1 . SER 9 9 25837 1 . VAL 10 10 25837 1 . ILE 11 11 25837 1 . GLY 12 12 25837 1 . LYS 13 13 25837 1 . ARG 14 14 25837 1 . VAL 15 15 25837 1 . GLY 16 16 25837 1 . ASP 17 17 25837 1 . ASP 18 18 25837 1 . GLY 19 19 25837 1 . LYS 20 20 25837 1 . THR 21 21 25837 1 . ILE 22 22 25837 1 . GLU 23 23 25837 1 . TYR 24 24 25837 1 . LEU 25 25 25837 1 . VAL 26 26 25837 1 . LYS 27 27 25837 1 . TRP 28 28 25837 1 . THR 29 29 25837 1 . ASP 30 30 25837 1 . MET 31 31 25837 1 . SER 32 32 25837 1 . ASP 33 33 25837 1 . ALA 34 34 25837 1 . THR 35 35 25837 1 . TRP 36 36 25837 1 . GLU 37 37 25837 1 . PRO 38 38 25837 1 . GLN 39 39 25837 1 . ASP 40 40 25837 1 . ASN 41 41 25837 1 . VAL 42 42 25837 1 . ASP 43 43 25837 1 . SER 44 44 25837 1 . THR 45 45 25837 1 . LEU 46 46 25837 1 . VAL 47 47 25837 1 . LEU 48 48 25837 1 . LEU 49 49 25837 1 . TYR 50 50 25837 1 . GLN 51 51 25837 1 . GLN 52 52 25837 1 . GLN 53 53 25837 1 . GLN 54 54 25837 1 . PRO 55 55 25837 1 . MET 56 56 25837 1 . ASN 57 57 25837 1 . GLU 58 58 25837 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25837 _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 $CD3 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 25837 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25837 _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 $CD3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETtrx_1a . . . 25837 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25837 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD3 '[U-100% 13C; U-100% 15N]' . . 1 $CD3 . . 0.26 . . mM . . . . 25837 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25837 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD3 '[U-100% 13C; U-100% 15N]' . . 1 $CD3 . . 0.8 . . mM . . . . 25837 2 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 25837 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 25837 1 pH 6.5 . pH 25837 1 pressure 1 . atm 25837 1 temperature 298 . K 25837 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25837 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25837 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25837 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25837 _Software.ID 2 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 25837 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25837 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25837 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25837 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25837 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25837 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25837 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25837 4 'data analysis' 25837 4 'peak picking' 25837 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25837 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25837 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25837 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25837 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25837 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 25837 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Pauli _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Pauli _NMR_spectrometer.Entry_ID 25837 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_Bud _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bud _NMR_spectrometer.Entry_ID 25837 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25837 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Pauli Bruker 'Avance III' . 800 . . . 25837 1 2 Bud Bruker 'Avance III' . 600 . . . 25837 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25837 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $Bud . . . . . . . . . . . . . . . . 25837 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25837 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25837 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25837 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25837 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25837 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25837 1 2 '3D HNCA' . . . 25837 1 3 '3D HNCACB' . . . 25837 1 4 '3D HNCO' . . . 25837 1 5 '2D 1H-13C HSQC aliphatic' . . . 25837 1 6 '2D 1H-13C HSQC aromatic' . . . 25837 1 7 '3D HCCH-TOCSY' . . . 25837 1 11 '3D 1H-13C NOESY aromatic' . . . 25837 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.404 0.020 . . . . . A 49 GLY H1 . 25837 1 2 . 1 1 1 1 GLY HA2 H 1 3.897 0.020 . . . . . A 49 GLY HA2 . 25837 1 3 . 1 1 1 1 GLY HA3 H 1 3.964 0.020 . . . . . A 49 GLY HA3 . 25837 1 4 . 1 1 1 1 GLY C C 13 174.097 0.300 . . . . . A 49 GLY C . 25837 1 5 . 1 1 1 1 GLY CA C 13 45.339 0.300 . . . . . A 49 GLY CA . 25837 1 6 . 1 1 1 1 GLY N N 15 110.202 0.300 . . . . . A 49 GLY N . 25837 1 7 . 1 1 2 2 LEU H H 1 8.002 0.020 . . . . . A 50 LEU H . 25837 1 8 . 1 1 2 2 LEU HA H 1 4.220 0.020 . . . . . A 50 LEU HA . 25837 1 9 . 1 1 2 2 LEU HB2 H 1 1.480 0.020 . . . . . A 50 LEU HB2 . 25837 1 10 . 1 1 2 2 LEU HB3 H 1 1.351 0.020 . . . . . A 50 LEU HB3 . 25837 1 11 . 1 1 2 2 LEU HG H 1 1.486 0.020 . . . . . A 50 LEU HG . 25837 1 12 . 1 1 2 2 LEU HD11 H 1 0.791 0.020 . . . . . A 50 LEU HD11 . 25837 1 13 . 1 1 2 2 LEU HD12 H 1 0.791 0.020 . . . . . A 50 LEU HD12 . 25837 1 14 . 1 1 2 2 LEU HD13 H 1 0.791 0.020 . . . . . A 50 LEU HD13 . 25837 1 15 . 1 1 2 2 LEU HD21 H 1 0.720 0.020 . . . . . A 50 LEU HD21 . 25837 1 16 . 1 1 2 2 LEU HD22 H 1 0.720 0.020 . . . . . A 50 LEU HD22 . 25837 1 17 . 1 1 2 2 LEU HD23 H 1 0.720 0.020 . . . . . A 50 LEU HD23 . 25837 1 18 . 1 1 2 2 LEU C C 13 177.393 0.300 . . . . . A 50 LEU C . 25837 1 19 . 1 1 2 2 LEU CA C 13 55.098 0.300 . . . . . A 50 LEU CA . 25837 1 20 . 1 1 2 2 LEU CB C 13 42.293 0.300 . . . . . A 50 LEU CB . 25837 1 21 . 1 1 2 2 LEU CG C 13 26.705 0.300 . . . . . A 50 LEU CG . 25837 1 22 . 1 1 2 2 LEU CD1 C 13 24.686 0.300 . . . . . A 50 LEU CD1 . 25837 1 23 . 1 1 2 2 LEU CD2 C 13 23.082 0.300 . . . . . A 50 LEU CD2 . 25837 1 24 . 1 1 2 2 LEU N N 15 121.638 0.300 . . . . . A 50 LEU N . 25837 1 25 . 1 1 3 3 GLU H H 1 8.544 0.020 . . . . . A 51 GLU H . 25837 1 26 . 1 1 3 3 GLU HA H 1 4.104 0.020 . . . . . A 51 GLU HA . 25837 1 27 . 1 1 3 3 GLU HB2 H 1 1.808 0.020 . . . . . A 51 GLU HB2 . 25837 1 28 . 1 1 3 3 GLU HB3 H 1 1.808 0.020 . . . . . A 51 GLU HB3 . 25837 1 29 . 1 1 3 3 GLU HG2 H 1 2.030 0.020 . . . . . A 51 GLU HG2 . 25837 1 30 . 1 1 3 3 GLU HG3 H 1 2.030 0.020 . . . . . A 51 GLU HG3 . 25837 1 31 . 1 1 3 3 GLU C C 13 175.840 0.300 . . . . . A 51 GLU C . 25837 1 32 . 1 1 3 3 GLU CA C 13 56.564 0.300 . . . . . A 51 GLU CA . 25837 1 33 . 1 1 3 3 GLU CB C 13 29.821 0.300 . . . . . A 51 GLU CB . 25837 1 34 . 1 1 3 3 GLU CG C 13 35.942 0.300 . . . . . A 51 GLU CG . 25837 1 35 . 1 1 3 3 GLU N N 15 120.898 0.300 . . . . . A 51 GLU N . 25837 1 36 . 1 1 4 4 TYR H H 1 7.787 0.020 . . . . . A 52 TYR H . 25837 1 37 . 1 1 4 4 TYR HA H 1 4.452 0.020 . . . . . A 52 TYR HA . 25837 1 38 . 1 1 4 4 TYR HB2 H 1 2.941 0.020 . . . . . A 52 TYR HB2 . 25837 1 39 . 1 1 4 4 TYR HB3 H 1 2.829 0.020 . . . . . A 52 TYR HB3 . 25837 1 40 . 1 1 4 4 TYR HD1 H 1 6.988 0.020 . . . . . A 52 TYR HD1 . 25837 1 41 . 1 1 4 4 TYR HD2 H 1 6.988 0.020 . . . . . A 52 TYR HD2 . 25837 1 42 . 1 1 4 4 TYR HE1 H 1 6.778 0.020 . . . . . A 52 TYR HE1 . 25837 1 43 . 1 1 4 4 TYR HE2 H 1 6.778 0.020 . . . . . A 52 TYR HE2 . 25837 1 44 . 1 1 4 4 TYR C C 13 174.723 0.300 . . . . . A 52 TYR C . 25837 1 45 . 1 1 4 4 TYR CA C 13 57.109 0.300 . . . . . A 52 TYR CA . 25837 1 46 . 1 1 4 4 TYR CB C 13 38.430 0.300 . . . . . A 52 TYR CB . 25837 1 47 . 1 1 4 4 TYR CD2 C 13 133.146 0.300 . . . . . A 52 TYR CD2 . 25837 1 48 . 1 1 4 4 TYR CE2 C 13 118.158 0.300 . . . . . A 52 TYR CE2 . 25837 1 49 . 1 1 4 4 TYR N N 15 118.796 0.300 . . . . . A 52 TYR N . 25837 1 50 . 1 1 5 5 ALA H H 1 7.848 0.020 . . . . . A 53 ALA H . 25837 1 51 . 1 1 5 5 ALA HA H 1 4.342 0.020 . . . . . A 53 ALA HA . 25837 1 52 . 1 1 5 5 ALA HB1 H 1 1.128 0.020 . . . . . A 53 ALA HB1 . 25837 1 53 . 1 1 5 5 ALA HB2 H 1 1.128 0.020 . . . . . A 53 ALA HB2 . 25837 1 54 . 1 1 5 5 ALA HB3 H 1 1.128 0.020 . . . . . A 53 ALA HB3 . 25837 1 55 . 1 1 5 5 ALA C C 13 176.467 0.300 . . . . . A 53 ALA C . 25837 1 56 . 1 1 5 5 ALA CA C 13 51.932 0.300 . . . . . A 53 ALA CA . 25837 1 57 . 1 1 5 5 ALA CB C 13 20.153 0.300 . . . . . A 53 ALA CB . 25837 1 58 . 1 1 5 5 ALA N N 15 125.078 0.300 . . . . . A 53 ALA N . 25837 1 59 . 1 1 6 6 VAL H H 1 8.622 0.020 . . . . . A 54 VAL H . 25837 1 60 . 1 1 6 6 VAL HA H 1 4.448 0.020 . . . . . A 54 VAL HA . 25837 1 61 . 1 1 6 6 VAL HB H 1 2.094 0.020 . . . . . A 54 VAL HB . 25837 1 62 . 1 1 6 6 VAL HG11 H 1 0.976 0.020 . . . . . A 54 VAL HG11 . 25837 1 63 . 1 1 6 6 VAL HG12 H 1 0.976 0.020 . . . . . A 54 VAL HG12 . 25837 1 64 . 1 1 6 6 VAL HG13 H 1 0.976 0.020 . . . . . A 54 VAL HG13 . 25837 1 65 . 1 1 6 6 VAL HG21 H 1 0.976 0.020 . . . . . A 54 VAL HG21 . 25837 1 66 . 1 1 6 6 VAL HG22 H 1 0.976 0.020 . . . . . A 54 VAL HG22 . 25837 1 67 . 1 1 6 6 VAL HG23 H 1 0.976 0.020 . . . . . A 54 VAL HG23 . 25837 1 68 . 1 1 6 6 VAL C C 13 175.867 0.300 . . . . . A 54 VAL C . 25837 1 69 . 1 1 6 6 VAL CA C 13 61.333 0.300 . . . . . A 54 VAL CA . 25837 1 70 . 1 1 6 6 VAL CB C 13 33.990 0.300 . . . . . A 54 VAL CB . 25837 1 71 . 1 1 6 6 VAL CG1 C 13 21.001 0.300 . . . . . A 54 VAL CG1 . 25837 1 72 . 1 1 6 6 VAL N N 15 120.277 0.300 . . . . . A 54 VAL N . 25837 1 73 . 1 1 7 7 ALA H H 1 8.973 0.020 . . . . . A 55 ALA H . 25837 1 74 . 1 1 7 7 ALA HA H 1 3.805 0.020 . . . . . A 55 ALA HA . 25837 1 75 . 1 1 7 7 ALA HB1 H 1 0.801 0.020 . . . . . A 55 ALA HB1 . 25837 1 76 . 1 1 7 7 ALA HB2 H 1 0.801 0.020 . . . . . A 55 ALA HB2 . 25837 1 77 . 1 1 7 7 ALA HB3 H 1 0.801 0.020 . . . . . A 55 ALA HB3 . 25837 1 78 . 1 1 7 7 ALA C C 13 175.758 0.300 . . . . . A 55 ALA C . 25837 1 79 . 1 1 7 7 ALA CA C 13 52.831 0.300 . . . . . A 55 ALA CA . 25837 1 80 . 1 1 7 7 ALA CB C 13 19.061 0.300 . . . . . A 55 ALA CB . 25837 1 81 . 1 1 7 7 ALA N N 15 131.772 0.300 . . . . . A 55 ALA N . 25837 1 82 . 1 1 8 8 GLU H H 1 9.357 0.020 . . . . . A 56 GLU H . 25837 1 83 . 1 1 8 8 GLU HA H 1 4.243 0.020 . . . . . A 56 GLU HA . 25837 1 84 . 1 1 8 8 GLU HB2 H 1 1.738 0.020 . . . . . A 56 GLU HB2 . 25837 1 85 . 1 1 8 8 GLU HB3 H 1 1.738 0.020 . . . . . A 56 GLU HB3 . 25837 1 86 . 1 1 8 8 GLU HG2 H 1 2.129 0.020 . . . . . A 56 GLU HG2 . 25837 1 87 . 1 1 8 8 GLU HG3 H 1 2.129 0.020 . . . . . A 56 GLU HG3 . 25837 1 88 . 1 1 8 8 GLU C C 13 176.058 0.300 . . . . . A 56 GLU C . 25837 1 89 . 1 1 8 8 GLU CA C 13 57.245 0.300 . . . . . A 56 GLU CA . 25837 1 90 . 1 1 8 8 GLU CB C 13 32.059 0.300 . . . . . A 56 GLU CB . 25837 1 91 . 1 1 8 8 GLU N N 15 123.274 0.300 . . . . . A 56 GLU N . 25837 1 92 . 1 1 9 9 SER H H 1 7.646 0.020 . . . . . A 57 SER H . 25837 1 93 . 1 1 9 9 SER HA H 1 4.406 0.020 . . . . . A 57 SER HA . 25837 1 94 . 1 1 9 9 SER HB2 H 1 3.799 0.020 . . . . . A 57 SER HB2 . 25837 1 95 . 1 1 9 9 SER HB3 H 1 3.554 0.020 . . . . . A 57 SER HB3 . 25837 1 96 . 1 1 9 9 SER C C 13 171.400 0.300 . . . . . A 57 SER C . 25837 1 97 . 1 1 9 9 SER CA C 13 57.463 0.300 . . . . . A 57 SER CA . 25837 1 98 . 1 1 9 9 SER CB C 13 64.855 0.300 . . . . . A 57 SER CB . 25837 1 99 . 1 1 9 9 SER N N 15 108.822 0.300 . . . . . A 57 SER N . 25837 1 100 . 1 1 10 10 VAL H H 1 8.566 0.020 . . . . . A 58 VAL H . 25837 1 101 . 1 1 10 10 VAL HA H 1 4.441 0.020 . . . . . A 58 VAL HA . 25837 1 102 . 1 1 10 10 VAL HB H 1 1.569 0.020 . . . . . A 58 VAL HB . 25837 1 103 . 1 1 10 10 VAL HG11 H 1 0.460 0.020 . . . . . A 58 VAL HG11 . 25837 1 104 . 1 1 10 10 VAL HG12 H 1 0.460 0.020 . . . . . A 58 VAL HG12 . 25837 1 105 . 1 1 10 10 VAL HG13 H 1 0.460 0.020 . . . . . A 58 VAL HG13 . 25837 1 106 . 1 1 10 10 VAL HG21 H 1 0.810 0.020 . . . . . A 58 VAL HG21 . 25837 1 107 . 1 1 10 10 VAL HG22 H 1 0.810 0.020 . . . . . A 58 VAL HG22 . 25837 1 108 . 1 1 10 10 VAL HG23 H 1 0.810 0.020 . . . . . A 58 VAL HG23 . 25837 1 109 . 1 1 10 10 VAL C C 13 175.731 0.300 . . . . . A 58 VAL C . 25837 1 110 . 1 1 10 10 VAL CA C 13 61.133 0.300 . . . . . A 58 VAL CA . 25837 1 111 . 1 1 10 10 VAL CB C 13 32.958 0.300 . . . . . A 58 VAL CB . 25837 1 112 . 1 1 10 10 VAL CG1 C 13 22.825 0.300 . . . . . A 58 VAL CG1 . 25837 1 113 . 1 1 10 10 VAL CG2 C 13 22.744 0.300 . . . . . A 58 VAL CG2 . 25837 1 114 . 1 1 10 10 VAL N N 15 121.411 0.300 . . . . . A 58 VAL N . 25837 1 115 . 1 1 11 11 ILE H H 1 8.840 0.020 . . . . . A 59 ILE H . 25837 1 116 . 1 1 11 11 ILE HA H 1 4.642 0.020 . . . . . A 59 ILE HA . 25837 1 117 . 1 1 11 11 ILE HB H 1 2.109 0.020 . . . . . A 59 ILE HB . 25837 1 118 . 1 1 11 11 ILE HG12 H 1 0.660 0.020 . . . . . A 59 ILE HG12 . 25837 1 119 . 1 1 11 11 ILE HG13 H 1 0.496 0.020 . . . . . A 59 ILE HG13 . 25837 1 120 . 1 1 11 11 ILE HG21 H 1 0.700 0.020 . . . . . A 59 ILE HG21 . 25837 1 121 . 1 1 11 11 ILE HG22 H 1 0.700 0.020 . . . . . A 59 ILE HG22 . 25837 1 122 . 1 1 11 11 ILE HG23 H 1 0.700 0.020 . . . . . A 59 ILE HG23 . 25837 1 123 . 1 1 11 11 ILE HD11 H 1 0.565 0.020 . . . . . A 59 ILE HD11 . 25837 1 124 . 1 1 11 11 ILE HD12 H 1 0.565 0.020 . . . . . A 59 ILE HD12 . 25837 1 125 . 1 1 11 11 ILE HD13 H 1 0.565 0.020 . . . . . A 59 ILE HD13 . 25837 1 126 . 1 1 11 11 ILE C C 13 175.568 0.300 . . . . . A 59 ILE C . 25837 1 127 . 1 1 11 11 ILE CA C 13 60.514 0.300 . . . . . A 59 ILE CA . 25837 1 128 . 1 1 11 11 ILE CB C 13 39.527 0.300 . . . . . A 59 ILE CB . 25837 1 129 . 1 1 11 11 ILE CG1 C 13 25.796 0.300 . . . . . A 59 ILE CG1 . 25837 1 130 . 1 1 11 11 ILE CG2 C 13 17.678 0.300 . . . . . A 59 ILE CG2 . 25837 1 131 . 1 1 11 11 ILE CD1 C 13 13.620 0.300 . . . . . A 59 ILE CD1 . 25837 1 132 . 1 1 11 11 ILE N N 15 116.198 0.300 . . . . . A 59 ILE N . 25837 1 133 . 1 1 12 12 GLY H H 1 6.985 0.020 . . . . . A 60 GLY H . 25837 1 134 . 1 1 12 12 GLY HA2 H 1 4.326 0.020 . . . . . A 60 GLY HA2 . 25837 1 135 . 1 1 12 12 GLY HA3 H 1 3.744 0.020 . . . . . A 60 GLY HA3 . 25837 1 136 . 1 1 12 12 GLY C C 13 170.392 0.300 . . . . . A 60 GLY C . 25837 1 137 . 1 1 12 12 GLY CA C 13 45.775 0.300 . . . . . A 60 GLY CA . 25837 1 138 . 1 1 12 12 GLY N N 15 110.098 0.300 . . . . . A 60 GLY N . 25837 1 139 . 1 1 13 13 LYS H H 1 8.677 0.020 . . . . . A 61 LYS H . 25837 1 140 . 1 1 13 13 LYS HA H 1 5.398 0.020 . . . . . A 61 LYS HA . 25837 1 141 . 1 1 13 13 LYS HB2 H 1 1.793 0.020 . . . . . A 61 LYS HB2 . 25837 1 142 . 1 1 13 13 LYS HB3 H 1 1.793 0.020 . . . . . A 61 LYS HB3 . 25837 1 143 . 1 1 13 13 LYS HG2 H 1 1.138 0.020 . . . . . A 61 LYS HG2 . 25837 1 144 . 1 1 13 13 LYS HG3 H 1 1.053 0.020 . . . . . A 61 LYS HG3 . 25837 1 145 . 1 1 13 13 LYS HD2 H 1 1.744 0.020 . . . . . A 61 LYS HD2 . 25837 1 146 . 1 1 13 13 LYS HD3 H 1 1.744 0.020 . . . . . A 61 LYS HD3 . 25837 1 147 . 1 1 13 13 LYS HE2 H 1 2.905 0.020 . . . . . A 61 LYS HE2 . 25837 1 148 . 1 1 13 13 LYS HE3 H 1 2.905 0.020 . . . . . A 61 LYS HE3 . 25837 1 149 . 1 1 13 13 LYS C C 13 173.879 0.300 . . . . . A 61 LYS C . 25837 1 150 . 1 1 13 13 LYS CA C 13 56.019 0.300 . . . . . A 61 LYS CA . 25837 1 151 . 1 1 13 13 LYS CB C 13 36.969 0.300 . . . . . A 61 LYS CB . 25837 1 152 . 1 1 13 13 LYS CG C 13 24.326 0.300 . . . . . A 61 LYS CG . 25837 1 153 . 1 1 13 13 LYS CD C 13 30.204 0.300 . . . . . A 61 LYS CD . 25837 1 154 . 1 1 13 13 LYS CE C 13 42.021 0.300 . . . . . A 61 LYS CE . 25837 1 155 . 1 1 13 13 LYS N N 15 121.033 0.300 . . . . . A 61 LYS N . 25837 1 156 . 1 1 14 14 ARG H H 1 9.334 0.020 . . . . . A 62 ARG H . 25837 1 157 . 1 1 14 14 ARG HA H 1 4.677 0.020 . . . . . A 62 ARG HA . 25837 1 158 . 1 1 14 14 ARG HB2 H 1 1.524 0.020 . . . . . A 62 ARG HB2 . 25837 1 159 . 1 1 14 14 ARG HB3 H 1 1.257 0.020 . . . . . A 62 ARG HB3 . 25837 1 160 . 1 1 14 14 ARG HG2 H 1 0.909 0.020 . . . . . A 62 ARG HG2 . 25837 1 161 . 1 1 14 14 ARG HG3 H 1 0.909 0.020 . . . . . A 62 ARG HG3 . 25837 1 162 . 1 1 14 14 ARG HD2 H 1 1.985 0.020 . . . . . A 62 ARG HD2 . 25837 1 163 . 1 1 14 14 ARG HD3 H 1 0.575 0.020 . . . . . A 62 ARG HD3 . 25837 1 164 . 1 1 14 14 ARG C C 13 172.626 0.300 . . . . . A 62 ARG C . 25837 1 165 . 1 1 14 14 ARG CA C 13 54.412 0.300 . . . . . A 62 ARG CA . 25837 1 166 . 1 1 14 14 ARG CB C 13 32.405 0.300 . . . . . A 62 ARG CB . 25837 1 167 . 1 1 14 14 ARG CG C 13 25.026 0.300 . . . . . A 62 ARG CG . 25837 1 168 . 1 1 14 14 ARG CD C 13 42.240 0.300 . . . . . A 62 ARG CD . 25837 1 169 . 1 1 14 14 ARG N N 15 124.198 0.300 . . . . . A 62 ARG N . 25837 1 170 . 1 1 14 14 ARG NE N 15 116.591 0.300 . . . . . A 62 ARG NE . 25837 1 171 . 1 1 14 14 ARG NH1 N 15 6.450 0.020 . . . . . A 62 ARG NH1 . 25837 1 172 . 1 1 15 15 VAL H H 1 8.093 0.020 . . . . . A 63 VAL H . 25837 1 173 . 1 1 15 15 VAL HA H 1 4.328 0.020 . . . . . A 63 VAL HA . 25837 1 174 . 1 1 15 15 VAL HB H 1 1.756 0.020 . . . . . A 63 VAL HB . 25837 1 175 . 1 1 15 15 VAL HG11 H 1 0.837 0.020 . . . . . A 63 VAL HG11 . 25837 1 176 . 1 1 15 15 VAL HG12 H 1 0.837 0.020 . . . . . A 63 VAL HG12 . 25837 1 177 . 1 1 15 15 VAL HG13 H 1 0.837 0.020 . . . . . A 63 VAL HG13 . 25837 1 178 . 1 1 15 15 VAL HG21 H 1 0.837 0.020 . . . . . A 63 VAL HG21 . 25837 1 179 . 1 1 15 15 VAL HG22 H 1 0.837 0.020 . . . . . A 63 VAL HG22 . 25837 1 180 . 1 1 15 15 VAL HG23 H 1 0.837 0.020 . . . . . A 63 VAL HG23 . 25837 1 181 . 1 1 15 15 VAL C C 13 176.576 0.300 . . . . . A 63 VAL C . 25837 1 182 . 1 1 15 15 VAL CA C 13 61.550 0.300 . . . . . A 63 VAL CA . 25837 1 183 . 1 1 15 15 VAL CB C 13 32.198 0.300 . . . . . A 63 VAL CB . 25837 1 184 . 1 1 15 15 VAL CG1 C 13 20.698 0.300 . . . . . A 63 VAL CG1 . 25837 1 185 . 1 1 15 15 VAL N N 15 119.879 0.300 . . . . . A 63 VAL N . 25837 1 186 . 1 1 16 16 GLY H H 1 9.036 0.020 . . . . . A 64 GLY H . 25837 1 187 . 1 1 16 16 GLY HA2 H 1 3.926 0.020 . . . . . A 64 GLY HA2 . 25837 1 188 . 1 1 16 16 GLY HA3 H 1 3.653 0.020 . . . . . A 64 GLY HA3 . 25837 1 189 . 1 1 16 16 GLY C C 13 174.669 0.300 . . . . . A 64 GLY C . 25837 1 190 . 1 1 16 16 GLY CA C 13 44.277 0.300 . . . . . A 64 GLY CA . 25837 1 191 . 1 1 16 16 GLY N N 15 113.318 0.300 . . . . . A 64 GLY N . 25837 1 192 . 1 1 17 17 ASP H H 1 8.676 0.020 . . . . . A 65 ASP H . 25837 1 193 . 1 1 17 17 ASP HA H 1 4.212 0.020 . . . . . A 65 ASP HA . 25837 1 194 . 1 1 17 17 ASP HB2 H 1 2.606 0.020 . . . . . A 65 ASP HB2 . 25837 1 195 . 1 1 17 17 ASP HB3 H 1 2.606 0.020 . . . . . A 65 ASP HB3 . 25837 1 196 . 1 1 17 17 ASP C C 13 176.576 0.300 . . . . . A 65 ASP C . 25837 1 197 . 1 1 17 17 ASP CA C 13 56.508 0.300 . . . . . A 65 ASP CA . 25837 1 198 . 1 1 17 17 ASP CB C 13 40.080 0.300 . . . . . A 65 ASP CB . 25837 1 199 . 1 1 17 17 ASP N N 15 120.277 0.300 . . . . . A 65 ASP N . 25837 1 200 . 1 1 18 18 ASP H H 1 8.102 0.020 . . . . . A 66 ASP H . 25837 1 201 . 1 1 18 18 ASP HA H 1 4.361 0.020 . . . . . A 66 ASP HA . 25837 1 202 . 1 1 18 18 ASP HB2 H 1 2.949 0.020 . . . . . A 66 ASP HB2 . 25837 1 203 . 1 1 18 18 ASP HB3 H 1 2.949 0.020 . . . . . A 66 ASP HB3 . 25837 1 204 . 1 1 18 18 ASP C C 13 177.502 0.300 . . . . . A 66 ASP C . 25837 1 205 . 1 1 18 18 ASP CA C 13 53.703 0.300 . . . . . A 66 ASP CA . 25837 1 206 . 1 1 18 18 ASP CB C 13 39.665 0.300 . . . . . A 66 ASP CB . 25837 1 207 . 1 1 18 18 ASP N N 15 116.944 0.300 . . . . . A 66 ASP N . 25837 1 208 . 1 1 19 19 GLY H H 1 8.268 0.020 . . . . . A 67 GLY H . 25837 1 209 . 1 1 19 19 GLY HA2 H 1 4.114 0.020 . . . . . A 67 GLY HA2 . 25837 1 210 . 1 1 19 19 GLY HA3 H 1 3.600 0.020 . . . . . A 67 GLY HA3 . 25837 1 211 . 1 1 19 19 GLY C C 13 177.938 0.300 . . . . . A 67 GLY C . 25837 1 212 . 1 1 19 19 GLY CA C 13 45.716 0.300 . . . . . A 67 GLY CA . 25837 1 213 . 1 1 19 19 GLY N N 15 108.288 0.300 . . . . . A 67 GLY N . 25837 1 214 . 1 1 20 20 LYS H H 1 8.483 0.020 . . . . . A 68 LYS H . 25837 1 215 . 1 1 20 20 LYS HA H 1 4.427 0.020 . . . . . A 68 LYS HA . 25837 1 216 . 1 1 20 20 LYS HB2 H 1 1.716 0.020 . . . . . A 68 LYS HB2 . 25837 1 217 . 1 1 20 20 LYS HB3 H 1 1.591 0.020 . . . . . A 68 LYS HB3 . 25837 1 218 . 1 1 20 20 LYS HG2 H 1 1.303 0.020 . . . . . A 68 LYS HG2 . 25837 1 219 . 1 1 20 20 LYS HG3 H 1 1.206 0.020 . . . . . A 68 LYS HG3 . 25837 1 220 . 1 1 20 20 LYS HD2 H 1 1.609 0.020 . . . . . A 68 LYS HD2 . 25837 1 221 . 1 1 20 20 LYS HD3 H 1 1.609 0.020 . . . . . A 68 LYS HD3 . 25837 1 222 . 1 1 20 20 LYS HE2 H 1 2.918 0.020 . . . . . A 68 LYS HE2 . 25837 1 223 . 1 1 20 20 LYS HE3 H 1 2.918 0.020 . . . . . A 68 LYS HE3 . 25837 1 224 . 1 1 20 20 LYS C C 13 175.786 0.300 . . . . . A 68 LYS C . 25837 1 225 . 1 1 20 20 LYS CA C 13 57.027 0.300 . . . . . A 68 LYS CA . 25837 1 226 . 1 1 20 20 LYS CB C 13 35.793 0.300 . . . . . A 68 LYS CB . 25837 1 227 . 1 1 20 20 LYS CG C 13 24.186 0.300 . . . . . A 68 LYS CG . 25837 1 228 . 1 1 20 20 LYS CD C 13 28.875 0.300 . . . . . A 68 LYS CD . 25837 1 229 . 1 1 20 20 LYS CE C 13 42.100 0.300 . . . . . A 68 LYS CE . 25837 1 230 . 1 1 20 20 LYS N N 15 119.172 0.300 . . . . . A 68 LYS N . 25837 1 231 . 1 1 21 21 THR H H 1 9.858 0.020 . . . . . A 69 THR H . 25837 1 232 . 1 1 21 21 THR HA H 1 4.035 0.020 . . . . . A 69 THR HA . 25837 1 233 . 1 1 21 21 THR HB H 1 4.150 0.020 . . . . . A 69 THR HB . 25837 1 234 . 1 1 21 21 THR HG21 H 1 1.251 0.020 . . . . . A 69 THR HG21 . 25837 1 235 . 1 1 21 21 THR HG22 H 1 1.251 0.020 . . . . . A 69 THR HG22 . 25837 1 236 . 1 1 21 21 THR HG23 H 1 1.251 0.020 . . . . . A 69 THR HG23 . 25837 1 237 . 1 1 21 21 THR C C 13 173.279 0.300 . . . . . A 69 THR C . 25837 1 238 . 1 1 21 21 THR CA C 13 64.029 0.300 . . . . . A 69 THR CA . 25837 1 239 . 1 1 21 21 THR CB C 13 68.428 0.300 . . . . . A 69 THR CB . 25837 1 240 . 1 1 21 21 THR CG2 C 13 21.597 0.300 . . . . . A 69 THR CG2 . 25837 1 241 . 1 1 21 21 THR N N 15 122.302 0.300 . . . . . A 69 THR N . 25837 1 242 . 1 1 22 22 ILE H H 1 8.371 0.020 . . . . . A 70 ILE H . 25837 1 243 . 1 1 22 22 ILE HA H 1 4.353 0.020 . . . . . A 70 ILE HA . 25837 1 244 . 1 1 22 22 ILE HB H 1 1.712 0.020 . . . . . A 70 ILE HB . 25837 1 245 . 1 1 22 22 ILE HG12 H 1 1.514 0.020 . . . . . A 70 ILE HG12 . 25837 1 246 . 1 1 22 22 ILE HG13 H 1 1.211 0.020 . . . . . A 70 ILE HG13 . 25837 1 247 . 1 1 22 22 ILE HG21 H 1 0.444 0.020 . . . . . A 70 ILE HG21 . 25837 1 248 . 1 1 22 22 ILE HG22 H 1 0.444 0.020 . . . . . A 70 ILE HG22 . 25837 1 249 . 1 1 22 22 ILE HG23 H 1 0.444 0.020 . . . . . A 70 ILE HG23 . 25837 1 250 . 1 1 22 22 ILE HD11 H 1 0.761 0.020 . . . . . A 70 ILE HD11 . 25837 1 251 . 1 1 22 22 ILE HD12 H 1 0.761 0.020 . . . . . A 70 ILE HD12 . 25837 1 252 . 1 1 22 22 ILE HD13 H 1 0.761 0.020 . . . . . A 70 ILE HD13 . 25837 1 253 . 1 1 22 22 ILE C C 13 174.805 0.300 . . . . . A 70 ILE C . 25837 1 254 . 1 1 22 22 ILE CA C 13 60.106 0.300 . . . . . A 70 ILE CA . 25837 1 255 . 1 1 22 22 ILE CB C 13 37.453 0.300 . . . . . A 70 ILE CB . 25837 1 256 . 1 1 22 22 ILE CG1 C 13 27.685 0.300 . . . . . A 70 ILE CG1 . 25837 1 257 . 1 1 22 22 ILE CG2 C 13 17.748 0.300 . . . . . A 70 ILE CG2 . 25837 1 258 . 1 1 22 22 ILE CD1 C 13 11.660 0.300 . . . . . A 70 ILE CD1 . 25837 1 259 . 1 1 22 22 ILE N N 15 128.434 0.300 . . . . . A 70 ILE N . 25837 1 260 . 1 1 23 23 GLU H H 1 8.709 0.020 . . . . . A 71 GLU H . 25837 1 261 . 1 1 23 23 GLU HA H 1 5.036 0.020 . . . . . A 71 GLU HA . 25837 1 262 . 1 1 23 23 GLU HB2 H 1 1.840 0.020 . . . . . A 71 GLU HB2 . 25837 1 263 . 1 1 23 23 GLU HB3 H 1 1.626 0.020 . . . . . A 71 GLU HB3 . 25837 1 264 . 1 1 23 23 GLU HG2 H 1 1.994 0.020 . . . . . A 71 GLU HG2 . 25837 1 265 . 1 1 23 23 GLU HG3 H 1 1.823 0.020 . . . . . A 71 GLU HG3 . 25837 1 266 . 1 1 23 23 GLU C C 13 174.315 0.300 . . . . . A 71 GLU C . 25837 1 267 . 1 1 23 23 GLU CA C 13 53.513 0.300 . . . . . A 71 GLU CA . 25837 1 268 . 1 1 23 23 GLU CB C 13 34.341 0.300 . . . . . A 71 GLU CB . 25837 1 269 . 1 1 23 23 GLU CG C 13 36.292 0.300 . . . . . A 71 GLU CG . 25837 1 270 . 1 1 23 23 GLU N N 15 125.034 0.300 . . . . . A 71 GLU N . 25837 1 271 . 1 1 24 24 TYR H H 1 9.301 0.020 . . . . . A 72 TYR H . 25837 1 272 . 1 1 24 24 TYR HA H 1 5.219 0.020 . . . . . A 72 TYR HA . 25837 1 273 . 1 1 24 24 TYR HB2 H 1 2.905 0.020 . . . . . A 72 TYR HB2 . 25837 1 274 . 1 1 24 24 TYR HB3 H 1 2.329 0.020 . . . . . A 72 TYR HB3 . 25837 1 275 . 1 1 24 24 TYR HD1 H 1 6.937 0.020 . . . . . A 72 TYR HD1 . 25837 1 276 . 1 1 24 24 TYR HD2 H 1 6.937 0.020 . . . . . A 72 TYR HD2 . 25837 1 277 . 1 1 24 24 TYR HE1 H 1 6.631 0.020 . . . . . A 72 TYR HE1 . 25837 1 278 . 1 1 24 24 TYR HE2 H 1 6.631 0.020 . . . . . A 72 TYR HE2 . 25837 1 279 . 1 1 24 24 TYR C C 13 173.198 0.300 . . . . . A 72 TYR C . 25837 1 280 . 1 1 24 24 TYR CA C 13 56.537 0.300 . . . . . A 72 TYR CA . 25837 1 281 . 1 1 24 24 TYR CB C 13 41.809 0.300 . . . . . A 72 TYR CB . 25837 1 282 . 1 1 24 24 TYR CD1 C 13 132.586 0.300 . . . . . A 72 TYR CD1 . 25837 1 283 . 1 1 24 24 TYR CE1 C 13 117.535 0.300 . . . . . A 72 TYR CE1 . 25837 1 284 . 1 1 24 24 TYR N N 15 117.954 0.300 . . . . . A 72 TYR N . 25837 1 285 . 1 1 25 25 LEU H H 1 7.464 0.020 . . . . . A 73 LEU H . 25837 1 286 . 1 1 25 25 LEU HA H 1 3.630 0.020 . . . . . A 73 LEU HA . 25837 1 287 . 1 1 25 25 LEU HB2 H 1 0.641 0.020 . . . . . A 73 LEU HB2 . 25837 1 288 . 1 1 25 25 LEU HB3 H 1 -1.405 0.020 . . . . . A 73 LEU HB3 . 25837 1 289 . 1 1 25 25 LEU HG H 1 0.409 0.020 . . . . . A 73 LEU HG . 25837 1 290 . 1 1 25 25 LEU HD11 H 1 0.236 0.020 . . . . . A 73 LEU HD11 . 25837 1 291 . 1 1 25 25 LEU HD12 H 1 0.236 0.020 . . . . . A 73 LEU HD12 . 25837 1 292 . 1 1 25 25 LEU HD13 H 1 0.236 0.020 . . . . . A 73 LEU HD13 . 25837 1 293 . 1 1 25 25 LEU HD21 H 1 -0.778 0.020 . . . . . A 73 LEU HD21 . 25837 1 294 . 1 1 25 25 LEU HD22 H 1 -0.778 0.020 . . . . . A 73 LEU HD22 . 25837 1 295 . 1 1 25 25 LEU HD23 H 1 -0.778 0.020 . . . . . A 73 LEU HD23 . 25837 1 296 . 1 1 25 25 LEU C C 13 173.960 0.300 . . . . . A 73 LEU C . 25837 1 297 . 1 1 25 25 LEU CA C 13 52.913 0.300 . . . . . A 73 LEU CA . 25837 1 298 . 1 1 25 25 LEU CB C 13 38.946 0.300 . . . . . A 73 LEU CB . 25837 1 299 . 1 1 25 25 LEU CG C 13 24.965 0.300 . . . . . A 73 LEU CG . 25837 1 300 . 1 1 25 25 LEU CD1 C 13 24.920 0.300 . . . . . A 73 LEU CD1 . 25837 1 301 . 1 1 25 25 LEU CD2 C 13 19.367 0.300 . . . . . A 73 LEU CD2 . 25837 1 302 . 1 1 25 25 LEU N N 15 127.621 0.300 . . . . . A 73 LEU N . 25837 1 303 . 1 1 26 26 VAL H H 1 9.114 0.020 . . . . . A 74 VAL H . 25837 1 304 . 1 1 26 26 VAL HA H 1 3.975 0.020 . . . . . A 74 VAL HA . 25837 1 305 . 1 1 26 26 VAL HB H 1 1.581 0.020 . . . . . A 74 VAL HB . 25837 1 306 . 1 1 26 26 VAL HG11 H 1 0.545 0.020 . . . . . A 74 VAL HG11 . 25837 1 307 . 1 1 26 26 VAL HG12 H 1 0.545 0.020 . . . . . A 74 VAL HG12 . 25837 1 308 . 1 1 26 26 VAL HG13 H 1 0.545 0.020 . . . . . A 74 VAL HG13 . 25837 1 309 . 1 1 26 26 VAL HG21 H 1 -0.548 0.020 . . . . . A 74 VAL HG21 . 25837 1 310 . 1 1 26 26 VAL HG22 H 1 -0.548 0.020 . . . . . A 74 VAL HG22 . 25837 1 311 . 1 1 26 26 VAL HG23 H 1 -0.548 0.020 . . . . . A 74 VAL HG23 . 25837 1 312 . 1 1 26 26 VAL C C 13 173.960 0.300 . . . . . A 74 VAL C . 25837 1 313 . 1 1 26 26 VAL CA C 13 62.013 0.300 . . . . . A 74 VAL CA . 25837 1 314 . 1 1 26 26 VAL CB C 13 33.650 0.300 . . . . . A 74 VAL CB . 25837 1 315 . 1 1 26 26 VAL CG1 C 13 22.367 0.300 . . . . . A 74 VAL CG1 . 25837 1 316 . 1 1 26 26 VAL CG2 C 13 20.198 0.300 . . . . . A 74 VAL CG2 . 25837 1 317 . 1 1 26 26 VAL N N 15 129.811 0.300 . . . . . A 74 VAL N . 25837 1 318 . 1 1 27 27 LYS H H 1 8.239 0.020 . . . . . A 75 LYS H . 25837 1 319 . 1 1 27 27 LYS HA H 1 4.314 0.020 . . . . . A 75 LYS HA . 25837 1 320 . 1 1 27 27 LYS HB2 H 1 1.855 0.020 . . . . . A 75 LYS HB2 . 25837 1 321 . 1 1 27 27 LYS HB3 H 1 1.311 0.020 . . . . . A 75 LYS HB3 . 25837 1 322 . 1 1 27 27 LYS HG2 H 1 1.309 0.020 . . . . . A 75 LYS HG2 . 25837 1 323 . 1 1 27 27 LYS HG3 H 1 1.226 0.020 . . . . . A 75 LYS HG3 . 25837 1 324 . 1 1 27 27 LYS HD2 H 1 1.687 0.020 . . . . . A 75 LYS HD2 . 25837 1 325 . 1 1 27 27 LYS HD3 H 1 1.504 0.020 . . . . . A 75 LYS HD3 . 25837 1 326 . 1 1 27 27 LYS HE2 H 1 3.015 0.020 . . . . . A 75 LYS HE2 . 25837 1 327 . 1 1 27 27 LYS HE3 H 1 2.940 0.020 . . . . . A 75 LYS HE3 . 25837 1 328 . 1 1 27 27 LYS C C 13 175.105 0.300 . . . . . A 75 LYS C . 25837 1 329 . 1 1 27 27 LYS CA C 13 54.221 0.300 . . . . . A 75 LYS CA . 25837 1 330 . 1 1 27 27 LYS CB C 13 33.511 0.300 . . . . . A 75 LYS CB . 25837 1 331 . 1 1 27 27 LYS CG C 13 24.676 0.300 . . . . . A 75 LYS CG . 25837 1 332 . 1 1 27 27 LYS CD C 13 28.875 0.300 . . . . . A 75 LYS CD . 25837 1 333 . 1 1 27 27 LYS CE C 13 42.133 0.300 . . . . . A 75 LYS CE . 25837 1 334 . 1 1 27 27 LYS N N 15 124.830 0.300 . . . . . A 75 LYS N . 25837 1 335 . 1 1 28 28 TRP H H 1 9.097 0.020 . . . . . A 76 TRP H . 25837 1 336 . 1 1 28 28 TRP HA H 1 4.855 0.020 . . . . . A 76 TRP HA . 25837 1 337 . 1 1 28 28 TRP HB2 H 1 3.312 0.020 . . . . . A 76 TRP HB2 . 25837 1 338 . 1 1 28 28 TRP HB3 H 1 2.999 0.020 . . . . . A 76 TRP HB3 . 25837 1 339 . 1 1 28 28 TRP HD1 H 1 7.303 0.020 . . . . . A 76 TRP HD1 . 25837 1 340 . 1 1 28 28 TRP HE1 H 1 10.847 0.020 . . . . . A 76 TRP HE1 . 25837 1 341 . 1 1 28 28 TRP HE3 H 1 7.170 0.020 . . . . . A 76 TRP HE3 . 25837 1 342 . 1 1 28 28 TRP HZ2 H 1 7.264 0.020 . . . . . A 76 TRP HZ2 . 25837 1 343 . 1 1 28 28 TRP HZ3 H 1 6.921 0.020 . . . . . A 76 TRP HZ3 . 25837 1 344 . 1 1 28 28 TRP HH2 H 1 7.105 0.020 . . . . . A 76 TRP HH2 . 25837 1 345 . 1 1 28 28 TRP C C 13 177.148 0.300 . . . . . A 76 TRP C . 25837 1 346 . 1 1 28 28 TRP CA C 13 55.856 0.300 . . . . . A 76 TRP CA . 25837 1 347 . 1 1 28 28 TRP CB C 13 31.437 0.300 . . . . . A 76 TRP CB . 25837 1 348 . 1 1 28 28 TRP CD1 C 13 128.546 0.300 . . . . . A 76 TRP CD1 . 25837 1 349 . 1 1 28 28 TRP CE3 C 13 119.780 0.300 . . . . . A 76 TRP CE3 . 25837 1 350 . 1 1 28 28 TRP CZ2 C 13 114.033 0.300 . . . . . A 76 TRP CZ2 . 25837 1 351 . 1 1 28 28 TRP CZ3 C 13 121.480 0.300 . . . . . A 76 TRP CZ3 . 25837 1 352 . 1 1 28 28 TRP CH2 C 13 123.548 0.300 . . . . . A 76 TRP CH2 . 25837 1 353 . 1 1 28 28 TRP N N 15 129.121 0.300 . . . . . A 76 TRP N . 25837 1 354 . 1 1 28 28 TRP NE1 N 15 132.601 0.300 . . . . . A 76 TRP NE1 . 25837 1 355 . 1 1 29 29 THR H H 1 9.012 0.020 . . . . . A 77 THR H . 25837 1 356 . 1 1 29 29 THR HA H 1 4.106 0.020 . . . . . A 77 THR HA . 25837 1 357 . 1 1 29 29 THR HB H 1 4.243 0.020 . . . . . A 77 THR HB . 25837 1 358 . 1 1 29 29 THR HG21 H 1 1.252 0.020 . . . . . A 77 THR HG21 . 25837 1 359 . 1 1 29 29 THR HG22 H 1 1.252 0.020 . . . . . A 77 THR HG22 . 25837 1 360 . 1 1 29 29 THR HG23 H 1 1.252 0.020 . . . . . A 77 THR HG23 . 25837 1 361 . 1 1 29 29 THR C C 13 174.996 0.300 . . . . . A 77 THR C . 25837 1 362 . 1 1 29 29 THR CA C 13 64.410 0.300 . . . . . A 77 THR CA . 25837 1 363 . 1 1 29 29 THR CB C 13 69.516 0.300 . . . . . A 77 THR CB . 25837 1 364 . 1 1 29 29 THR CG2 C 13 21.947 0.300 . . . . . A 77 THR CG2 . 25837 1 365 . 1 1 29 29 THR N N 15 117.433 0.300 . . . . . A 77 THR N . 25837 1 366 . 1 1 30 30 ASP H H 1 8.805 0.020 . . . . . A 78 ASP H . 25837 1 367 . 1 1 30 30 ASP HA H 1 4.429 0.020 . . . . . A 78 ASP HA . 25837 1 368 . 1 1 30 30 ASP HB2 H 1 2.870 0.020 . . . . . A 78 ASP HB2 . 25837 1 369 . 1 1 30 30 ASP HB3 H 1 2.870 0.020 . . . . . A 78 ASP HB3 . 25837 1 370 . 1 1 30 30 ASP C C 13 174.996 0.300 . . . . . A 78 ASP C . 25837 1 371 . 1 1 30 30 ASP CA C 13 54.957 0.300 . . . . . A 78 ASP CA . 25837 1 372 . 1 1 30 30 ASP CB C 13 40.082 0.300 . . . . . A 78 ASP CB . 25837 1 373 . 1 1 30 30 ASP N N 15 119.514 0.300 . . . . . A 78 ASP N . 25837 1 374 . 1 1 31 31 MET H H 1 7.648 0.020 . . . . . A 79 MET H . 25837 1 375 . 1 1 31 31 MET HA H 1 4.750 0.020 . . . . . A 79 MET HA . 25837 1 376 . 1 1 31 31 MET HB2 H 1 2.128 0.020 . . . . . A 79 MET HB2 . 25837 1 377 . 1 1 31 31 MET HB3 H 1 2.128 0.020 . . . . . A 79 MET HB3 . 25837 1 378 . 1 1 31 31 MET HG2 H 1 2.495 0.020 . . . . . A 79 MET HG2 . 25837 1 379 . 1 1 31 31 MET HG3 H 1 2.495 0.020 . . . . . A 79 MET HG3 . 25837 1 380 . 1 1 31 31 MET C C 13 175.350 0.300 . . . . . A 79 MET C . 25837 1 381 . 1 1 31 31 MET CA C 13 55.038 0.300 . . . . . A 79 MET CA . 25837 1 382 . 1 1 31 31 MET CB C 13 34.134 0.300 . . . . . A 79 MET CB . 25837 1 383 . 1 1 31 31 MET CG C 13 31.869 0.300 . . . . . A 79 MET CG . 25837 1 384 . 1 1 31 31 MET N N 15 115.174 0.300 . . . . . A 79 MET N . 25837 1 385 . 1 1 32 32 SER H H 1 8.065 0.020 . . . . . A 80 SER H . 25837 1 386 . 1 1 32 32 SER HA H 1 4.291 0.020 . . . . . A 80 SER HA . 25837 1 387 . 1 1 32 32 SER HB2 H 1 3.854 0.020 . . . . . A 80 SER HB2 . 25837 1 388 . 1 1 32 32 SER HB3 H 1 3.854 0.020 . . . . . A 80 SER HB3 . 25837 1 389 . 1 1 32 32 SER C C 13 174.342 0.300 . . . . . A 80 SER C . 25837 1 390 . 1 1 32 32 SER CA C 13 60.200 0.300 . . . . . A 80 SER CA . 25837 1 391 . 1 1 32 32 SER CB C 13 63.500 0.300 . . . . . A 80 SER CB . 25837 1 392 . 1 1 32 32 SER N N 15 110.575 0.300 . . . . . A 80 SER N . 25837 1 393 . 1 1 33 33 ASP H H 1 8.101 0.020 . . . . . A 81 ASP H . 25837 1 394 . 1 1 33 33 ASP HA H 1 4.699 0.020 . . . . . A 81 ASP HA . 25837 1 395 . 1 1 33 33 ASP HB2 H 1 2.604 0.020 . . . . . A 81 ASP HB2 . 25837 1 396 . 1 1 33 33 ASP HB3 H 1 2.553 0.020 . . . . . A 81 ASP HB3 . 25837 1 397 . 1 1 33 33 ASP C C 13 175.568 0.300 . . . . . A 81 ASP C . 25837 1 398 . 1 1 33 33 ASP CA C 13 54.303 0.300 . . . . . A 81 ASP CA . 25837 1 399 . 1 1 33 33 ASP CB C 13 41.186 0.300 . . . . . A 81 ASP CB . 25837 1 400 . 1 1 33 33 ASP N N 15 120.165 0.300 . . . . . A 81 ASP N . 25837 1 401 . 1 1 34 34 ALA H H 1 8.461 0.020 . . . . . A 82 ALA H . 25837 1 402 . 1 1 34 34 ALA HA H 1 5.039 0.020 . . . . . A 82 ALA HA . 25837 1 403 . 1 1 34 34 ALA HB1 H 1 0.959 0.020 . . . . . A 82 ALA HB1 . 25837 1 404 . 1 1 34 34 ALA HB2 H 1 0.959 0.020 . . . . . A 82 ALA HB2 . 25837 1 405 . 1 1 34 34 ALA HB3 H 1 0.959 0.020 . . . . . A 82 ALA HB3 . 25837 1 406 . 1 1 34 34 ALA C C 13 177.584 0.300 . . . . . A 82 ALA C . 25837 1 407 . 1 1 34 34 ALA CA C 13 51.905 0.300 . . . . . A 82 ALA CA . 25837 1 408 . 1 1 34 34 ALA CB C 13 19.752 0.300 . . . . . A 82 ALA CB . 25837 1 409 . 1 1 34 34 ALA N N 15 127.921 0.300 . . . . . A 82 ALA N . 25837 1 410 . 1 1 35 35 THR H H 1 8.613 0.020 . . . . . A 83 THR H . 25837 1 411 . 1 1 35 35 THR HA H 1 4.666 0.020 . . . . . A 83 THR HA . 25837 1 412 . 1 1 35 35 THR HB H 1 4.370 0.020 . . . . . A 83 THR HB . 25837 1 413 . 1 1 35 35 THR HG21 H 1 1.211 0.020 . . . . . A 83 THR HG21 . 25837 1 414 . 1 1 35 35 THR HG22 H 1 1.211 0.020 . . . . . A 83 THR HG22 . 25837 1 415 . 1 1 35 35 THR HG23 H 1 1.211 0.020 . . . . . A 83 THR HG23 . 25837 1 416 . 1 1 35 35 THR C C 13 173.116 0.300 . . . . . A 83 THR C . 25837 1 417 . 1 1 35 35 THR CA C 13 59.588 0.300 . . . . . A 83 THR CA . 25837 1 418 . 1 1 35 35 THR CB C 13 70.919 0.300 . . . . . A 83 THR CB . 25837 1 419 . 1 1 35 35 THR CG2 C 13 22.518 0.300 . . . . . A 83 THR CG2 . 25837 1 420 . 1 1 35 35 THR N N 15 111.593 0.300 . . . . . A 83 THR N . 25837 1 421 . 1 1 36 36 TRP H H 1 8.525 0.020 . . . . . A 84 TRP H . 25837 1 422 . 1 1 36 36 TRP HA H 1 4.933 0.020 . . . . . A 84 TRP HA . 25837 1 423 . 1 1 36 36 TRP HB2 H 1 2.932 0.020 . . . . . A 84 TRP HB2 . 25837 1 424 . 1 1 36 36 TRP HB3 H 1 2.768 0.020 . . . . . A 84 TRP HB3 . 25837 1 425 . 1 1 36 36 TRP HD1 H 1 7.174 0.020 . . . . . A 84 TRP HD1 . 25837 1 426 . 1 1 36 36 TRP HE1 H 1 9.950 0.020 . . . . . A 84 TRP HE1 . 25837 1 427 . 1 1 36 36 TRP HE3 H 1 6.847 0.020 . . . . . A 84 TRP HE3 . 25837 1 428 . 1 1 36 36 TRP HZ2 H 1 7.370 0.020 . . . . . A 84 TRP HZ2 . 25837 1 429 . 1 1 36 36 TRP HZ3 H 1 6.535 0.020 . . . . . A 84 TRP HZ3 . 25837 1 430 . 1 1 36 36 TRP HH2 H 1 6.821 0.020 . . . . . A 84 TRP HH2 . 25837 1 431 . 1 1 36 36 TRP C C 13 176.930 0.300 . . . . . A 84 TRP C . 25837 1 432 . 1 1 36 36 TRP CA C 13 56.509 0.300 . . . . . A 84 TRP CA . 25837 1 433 . 1 1 36 36 TRP CB C 13 29.570 0.300 . . . . . A 84 TRP CB . 25837 1 434 . 1 1 36 36 TRP CD1 C 13 127.499 0.300 . . . . . A 84 TRP CD1 . 25837 1 435 . 1 1 36 36 TRP CE3 C 13 119.646 0.300 . . . . . A 84 TRP CE3 . 25837 1 436 . 1 1 36 36 TRP CZ2 C 13 115.225 0.300 . . . . . A 84 TRP CZ2 . 25837 1 437 . 1 1 36 36 TRP CZ3 C 13 122.330 0.300 . . . . . A 84 TRP CZ3 . 25837 1 438 . 1 1 36 36 TRP CH2 C 13 122.698 0.300 . . . . . A 84 TRP CH2 . 25837 1 439 . 1 1 36 36 TRP N N 15 123.175 0.300 . . . . . A 84 TRP N . 25837 1 440 . 1 1 36 36 TRP NE1 N 15 128.995 0.300 . . . . . A 84 TRP NE1 . 25837 1 441 . 1 1 37 37 GLU H H 1 9.790 0.020 . . . . . A 85 GLU H . 25837 1 442 . 1 1 37 37 GLU HA H 1 5.174 0.020 . . . . . A 85 GLU HA . 25837 1 443 . 1 1 37 37 GLU HB2 H 1 2.141 0.020 . . . . . A 85 GLU HB2 . 25837 1 444 . 1 1 37 37 GLU HB3 H 1 1.628 0.020 . . . . . A 85 GLU HB3 . 25837 1 445 . 1 1 37 37 GLU HG2 H 1 2.473 0.020 . . . . . A 85 GLU HG2 . 25837 1 446 . 1 1 37 37 GLU HG3 H 1 2.316 0.020 . . . . . A 85 GLU HG3 . 25837 1 447 . 1 1 37 37 GLU CA C 13 52.014 0.300 . . . . . A 85 GLU CA . 25837 1 448 . 1 1 37 37 GLU CB C 13 32.336 0.300 . . . . . A 85 GLU CB . 25837 1 449 . 1 1 37 37 GLU CG C 13 34.822 0.300 . . . . . A 85 GLU CG . 25837 1 450 . 1 1 37 37 GLU N N 15 125.264 0.300 . . . . . A 85 GLU N . 25837 1 451 . 1 1 38 38 PRO HA H 1 4.703 0.020 . . . . . A 86 PRO HA . 25837 1 452 . 1 1 38 38 PRO HB2 H 1 2.170 0.020 . . . . . A 86 PRO HB2 . 25837 1 453 . 1 1 38 38 PRO HB3 H 1 2.170 0.020 . . . . . A 86 PRO HB3 . 25837 1 454 . 1 1 38 38 PRO HG2 H 1 2.158 0.020 . . . . . A 86 PRO HG2 . 25837 1 455 . 1 1 38 38 PRO HG3 H 1 2.100 0.020 . . . . . A 86 PRO HG3 . 25837 1 456 . 1 1 38 38 PRO HD2 H 1 3.963 0.020 . . . . . A 86 PRO HD2 . 25837 1 457 . 1 1 38 38 PRO HD3 H 1 3.963 0.020 . . . . . A 86 PRO HD3 . 25837 1 458 . 1 1 38 38 PRO C C 13 178.210 0.300 . . . . . A 86 PRO C . 25837 1 459 . 1 1 38 38 PRO CA C 13 62.676 0.300 . . . . . A 86 PRO CA . 25837 1 460 . 1 1 38 38 PRO CB C 13 32.373 0.300 . . . . . A 86 PRO CB . 25837 1 461 . 1 1 38 38 PRO CG C 13 27.475 0.300 . . . . . A 86 PRO CG . 25837 1 462 . 1 1 38 38 PRO CD C 13 50.416 0.300 . . . . . A 86 PRO CD . 25837 1 463 . 1 1 39 39 GLN H H 1 8.525 0.020 . . . . . A 87 GLN H . 25837 1 464 . 1 1 39 39 GLN HA H 1 4.080 0.020 . . . . . A 87 GLN HA . 25837 1 465 . 1 1 39 39 GLN HB2 H 1 2.385 0.020 . . . . . A 87 GLN HB2 . 25837 1 466 . 1 1 39 39 GLN HB3 H 1 2.180 0.020 . . . . . A 87 GLN HB3 . 25837 1 467 . 1 1 39 39 GLN HG2 H 1 2.612 0.020 . . . . . A 87 GLN HG2 . 25837 1 468 . 1 1 39 39 GLN HG3 H 1 2.448 0.020 . . . . . A 87 GLN HG3 . 25837 1 469 . 1 1 39 39 GLN HE21 H 1 7.403 0.020 . . . . . A 87 GLN HE21 . 25837 1 470 . 1 1 39 39 GLN HE22 H 1 6.768 0.020 . . . . . A 87 GLN HE22 . 25837 1 471 . 1 1 39 39 GLN C C 13 176.385 0.300 . . . . . A 87 GLN C . 25837 1 472 . 1 1 39 39 GLN CA C 13 59.642 0.300 . . . . . A 87 GLN CA . 25837 1 473 . 1 1 39 39 GLN CB C 13 28.948 0.300 . . . . . A 87 GLN CB . 25837 1 474 . 1 1 39 39 GLN CG C 13 32.793 0.300 . . . . . A 87 GLN CG . 25837 1 475 . 1 1 39 39 GLN N N 15 118.980 0.300 . . . . . A 87 GLN N . 25837 1 476 . 1 1 39 39 GLN NE2 N 15 110.836 0.300 . . . . . A 87 GLN NE2 . 25837 1 477 . 1 1 40 40 ASP H H 1 8.632 0.020 . . . . . A 88 ASP H . 25837 1 478 . 1 1 40 40 ASP HA H 1 4.539 0.020 . . . . . A 88 ASP HA . 25837 1 479 . 1 1 40 40 ASP HB2 H 1 2.778 0.020 . . . . . A 88 ASP HB2 . 25837 1 480 . 1 1 40 40 ASP HB3 H 1 2.604 0.020 . . . . . A 88 ASP HB3 . 25837 1 481 . 1 1 40 40 ASP C C 13 176.303 0.300 . . . . . A 88 ASP C . 25837 1 482 . 1 1 40 40 ASP CA C 13 55.910 0.300 . . . . . A 88 ASP CA . 25837 1 483 . 1 1 40 40 ASP CB C 13 39.942 0.300 . . . . . A 88 ASP CB . 25837 1 484 . 1 1 40 40 ASP N N 15 116.080 0.300 . . . . . A 88 ASP N . 25837 1 485 . 1 1 41 41 ASN H H 1 8.337 0.020 . . . . . A 89 ASN H . 25837 1 486 . 1 1 41 41 ASN HA H 1 5.008 0.020 . . . . . A 89 ASN HA . 25837 1 487 . 1 1 41 41 ASN HB2 H 1 3.166 0.020 . . . . . A 89 ASN HB2 . 25837 1 488 . 1 1 41 41 ASN HB3 H 1 2.798 0.020 . . . . . A 89 ASN HB3 . 25837 1 489 . 1 1 41 41 ASN HD21 H 1 7.867 0.020 . . . . . A 89 ASN HD21 . 25837 1 490 . 1 1 41 41 ASN HD22 H 1 6.949 0.020 . . . . . A 89 ASN HD22 . 25837 1 491 . 1 1 41 41 ASN C C 13 174.505 0.300 . . . . . A 89 ASN C . 25837 1 492 . 1 1 41 41 ASN CA C 13 52.368 0.300 . . . . . A 89 ASN CA . 25837 1 493 . 1 1 41 41 ASN CB C 13 39.665 0.300 . . . . . A 89 ASN CB . 25837 1 494 . 1 1 41 41 ASN N N 15 116.500 0.300 . . . . . A 89 ASN N . 25837 1 495 . 1 1 41 41 ASN ND2 N 15 111.028 0.300 . . . . . A 89 ASN ND2 . 25837 1 496 . 1 1 42 42 VAL H H 1 7.349 0.020 . . . . . A 90 VAL H . 25837 1 497 . 1 1 42 42 VAL HA H 1 4.642 0.020 . . . . . A 90 VAL HA . 25837 1 498 . 1 1 42 42 VAL HB H 1 1.716 0.020 . . . . . A 90 VAL HB . 25837 1 499 . 1 1 42 42 VAL HG11 H 1 0.807 0.020 . . . . . A 90 VAL HG11 . 25837 1 500 . 1 1 42 42 VAL HG12 H 1 0.807 0.020 . . . . . A 90 VAL HG12 . 25837 1 501 . 1 1 42 42 VAL HG13 H 1 0.807 0.020 . . . . . A 90 VAL HG13 . 25837 1 502 . 1 1 42 42 VAL HG21 H 1 0.562 0.020 . . . . . A 90 VAL HG21 . 25837 1 503 . 1 1 42 42 VAL HG22 H 1 0.562 0.020 . . . . . A 90 VAL HG22 . 25837 1 504 . 1 1 42 42 VAL HG23 H 1 0.562 0.020 . . . . . A 90 VAL HG23 . 25837 1 505 . 1 1 42 42 VAL C C 13 174.451 0.300 . . . . . A 90 VAL C . 25837 1 506 . 1 1 42 42 VAL CA C 13 61.441 0.300 . . . . . A 90 VAL CA . 25837 1 507 . 1 1 42 42 VAL CB C 13 33.304 0.300 . . . . . A 90 VAL CB . 25837 1 508 . 1 1 42 42 VAL CG1 C 13 22.666 0.300 . . . . . A 90 VAL CG1 . 25837 1 509 . 1 1 42 42 VAL CG2 C 13 21.807 0.300 . . . . . A 90 VAL CG2 . 25837 1 510 . 1 1 42 42 VAL N N 15 119.615 0.300 . . . . . A 90 VAL N . 25837 1 511 . 1 1 43 43 ASP H H 1 8.512 0.020 . . . . . A 91 ASP H . 25837 1 512 . 1 1 43 43 ASP HA H 1 4.357 0.020 . . . . . A 91 ASP HA . 25837 1 513 . 1 1 43 43 ASP HB2 H 1 2.672 0.020 . . . . . A 91 ASP HB2 . 25837 1 514 . 1 1 43 43 ASP HB3 H 1 2.513 0.020 . . . . . A 91 ASP HB3 . 25837 1 515 . 1 1 43 43 ASP C C 13 177.475 0.300 . . . . . A 91 ASP C . 25837 1 516 . 1 1 43 43 ASP CA C 13 55.283 0.300 . . . . . A 91 ASP CA . 25837 1 517 . 1 1 43 43 ASP CB C 13 42.154 0.300 . . . . . A 91 ASP CB . 25837 1 518 . 1 1 43 43 ASP N N 15 128.142 0.300 . . . . . A 91 ASP N . 25837 1 519 . 1 1 44 44 SER H H 1 8.854 0.020 . . . . . A 92 SER H . 25837 1 520 . 1 1 44 44 SER HA H 1 3.903 0.020 . . . . . A 92 SER HA . 25837 1 521 . 1 1 44 44 SER HB2 H 1 3.963 0.020 . . . . . A 92 SER HB2 . 25837 1 522 . 1 1 44 44 SER HB3 H 1 3.901 0.020 . . . . . A 92 SER HB3 . 25837 1 523 . 1 1 44 44 SER C C 13 176.603 0.300 . . . . . A 92 SER C . 25837 1 524 . 1 1 44 44 SER CA C 13 61.686 0.300 . . . . . A 92 SER CA . 25837 1 525 . 1 1 44 44 SER CB C 13 62.551 0.300 . . . . . A 92 SER CB . 25837 1 526 . 1 1 44 44 SER N N 15 122.911 0.300 . . . . . A 92 SER N . 25837 1 527 . 1 1 45 45 THR H H 1 8.580 0.020 . . . . . A 93 THR H . 25837 1 528 . 1 1 45 45 THR HA H 1 3.938 0.020 . . . . . A 93 THR HA . 25837 1 529 . 1 1 45 45 THR HB H 1 4.165 0.020 . . . . . A 93 THR HB . 25837 1 530 . 1 1 45 45 THR HG21 H 1 1.248 0.020 . . . . . A 93 THR HG21 . 25837 1 531 . 1 1 45 45 THR HG22 H 1 1.248 0.020 . . . . . A 93 THR HG22 . 25837 1 532 . 1 1 45 45 THR HG23 H 1 1.248 0.020 . . . . . A 93 THR HG23 . 25837 1 533 . 1 1 45 45 THR C C 13 176.521 0.300 . . . . . A 93 THR C . 25837 1 534 . 1 1 45 45 THR CA C 13 66.072 0.300 . . . . . A 93 THR CA . 25837 1 535 . 1 1 45 45 THR CB C 13 68.129 0.300 . . . . . A 93 THR CB . 25837 1 536 . 1 1 45 45 THR CG2 C 13 21.807 0.300 . . . . . A 93 THR CG2 . 25837 1 537 . 1 1 45 45 THR N N 15 118.505 0.300 . . . . . A 93 THR N . 25837 1 538 . 1 1 46 46 LEU H H 1 7.415 0.020 . . . . . A 94 LEU H . 25837 1 539 . 1 1 46 46 LEU HA H 1 4.044 0.020 . . . . . A 94 LEU HA . 25837 1 540 . 1 1 46 46 LEU HB2 H 1 1.733 0.020 . . . . . A 94 LEU HB2 . 25837 1 541 . 1 1 46 46 LEU HB3 H 1 1.241 0.020 . . . . . A 94 LEU HB3 . 25837 1 542 . 1 1 46 46 LEU HG H 1 1.609 0.020 . . . . . A 94 LEU HG . 25837 1 543 . 1 1 46 46 LEU HD11 H 1 0.592 0.020 . . . . . A 94 LEU HD11 . 25837 1 544 . 1 1 46 46 LEU HD12 H 1 0.592 0.020 . . . . . A 94 LEU HD12 . 25837 1 545 . 1 1 46 46 LEU HD13 H 1 0.592 0.020 . . . . . A 94 LEU HD13 . 25837 1 546 . 1 1 46 46 LEU HD21 H 1 0.655 0.020 . . . . . A 94 LEU HD21 . 25837 1 547 . 1 1 46 46 LEU HD22 H 1 0.655 0.020 . . . . . A 94 LEU HD22 . 25837 1 548 . 1 1 46 46 LEU HD23 H 1 0.655 0.020 . . . . . A 94 LEU HD23 . 25837 1 549 . 1 1 46 46 LEU C C 13 180.362 0.300 . . . . . A 94 LEU C . 25837 1 550 . 1 1 46 46 LEU CA C 13 57.213 0.300 . . . . . A 94 LEU CA . 25837 1 551 . 1 1 46 46 LEU CB C 13 41.687 0.300 . . . . . A 94 LEU CB . 25837 1 552 . 1 1 46 46 LEU CG C 13 26.705 0.300 . . . . . A 94 LEU CG . 25837 1 553 . 1 1 46 46 LEU CD1 C 13 25.626 0.300 . . . . . A 94 LEU CD1 . 25837 1 554 . 1 1 46 46 LEU CD2 C 13 22.437 0.300 . . . . . A 94 LEU CD2 . 25837 1 555 . 1 1 46 46 LEU N N 15 120.120 0.300 . . . . . A 94 LEU N . 25837 1 556 . 1 1 47 47 VAL H H 1 7.151 0.020 . . . . . A 95 VAL H . 25837 1 557 . 1 1 47 47 VAL HA H 1 3.098 0.020 . . . . . A 95 VAL HA . 25837 1 558 . 1 1 47 47 VAL HB H 1 1.911 0.020 . . . . . A 95 VAL HB . 25837 1 559 . 1 1 47 47 VAL HG11 H 1 0.248 0.020 . . . . . A 95 VAL HG11 . 25837 1 560 . 1 1 47 47 VAL HG12 H 1 0.248 0.020 . . . . . A 95 VAL HG12 . 25837 1 561 . 1 1 47 47 VAL HG13 H 1 0.248 0.020 . . . . . A 95 VAL HG13 . 25837 1 562 . 1 1 47 47 VAL HG21 H 1 0.731 0.020 . . . . . A 95 VAL HG21 . 25837 1 563 . 1 1 47 47 VAL HG22 H 1 0.731 0.020 . . . . . A 95 VAL HG22 . 25837 1 564 . 1 1 47 47 VAL HG23 H 1 0.731 0.020 . . . . . A 95 VAL HG23 . 25837 1 565 . 1 1 47 47 VAL C C 13 177.338 0.300 . . . . . A 95 VAL C . 25837 1 566 . 1 1 47 47 VAL CA C 13 66.726 0.300 . . . . . A 95 VAL CA . 25837 1 567 . 1 1 47 47 VAL CB C 13 31.368 0.300 . . . . . A 95 VAL CB . 25837 1 568 . 1 1 47 47 VAL CG1 C 13 21.946 0.300 . . . . . A 95 VAL CG1 . 25837 1 569 . 1 1 47 47 VAL CG2 C 13 21.247 0.300 . . . . . A 95 VAL CG2 . 25837 1 570 . 1 1 47 47 VAL N N 15 120.455 0.300 . . . . . A 95 VAL N . 25837 1 571 . 1 1 48 48 LEU H H 1 7.900 0.020 . . . . . A 96 LEU H . 25837 1 572 . 1 1 48 48 LEU HA H 1 4.055 0.020 . . . . . A 96 LEU HA . 25837 1 573 . 1 1 48 48 LEU HB2 H 1 1.719 0.020 . . . . . A 96 LEU HB2 . 25837 1 574 . 1 1 48 48 LEU HB3 H 1 1.674 0.020 . . . . . A 96 LEU HB3 . 25837 1 575 . 1 1 48 48 LEU HG H 1 1.641 0.020 . . . . . A 96 LEU HG . 25837 1 576 . 1 1 48 48 LEU HD11 H 1 0.862 0.020 . . . . . A 96 LEU HD11 . 25837 1 577 . 1 1 48 48 LEU HD12 H 1 0.862 0.020 . . . . . A 96 LEU HD12 . 25837 1 578 . 1 1 48 48 LEU HD13 H 1 0.862 0.020 . . . . . A 96 LEU HD13 . 25837 1 579 . 1 1 48 48 LEU HD21 H 1 0.862 0.020 . . . . . A 96 LEU HD21 . 25837 1 580 . 1 1 48 48 LEU HD22 H 1 0.862 0.020 . . . . . A 96 LEU HD22 . 25837 1 581 . 1 1 48 48 LEU HD23 H 1 0.862 0.020 . . . . . A 96 LEU HD23 . 25837 1 582 . 1 1 48 48 LEU C C 13 179.245 0.300 . . . . . A 96 LEU C . 25837 1 583 . 1 1 48 48 LEU CA C 13 58.060 0.300 . . . . . A 96 LEU CA . 25837 1 584 . 1 1 48 48 LEU CB C 13 41.330 0.300 . . . . . A 96 LEU CB . 25837 1 585 . 1 1 48 48 LEU CG C 13 26.845 0.300 . . . . . A 96 LEU CG . 25837 1 586 . 1 1 48 48 LEU N N 15 120.561 0.300 . . . . . A 96 LEU N . 25837 1 587 . 1 1 49 49 LEU H H 1 7.610 0.020 . . . . . A 97 LEU H . 25837 1 588 . 1 1 49 49 LEU HA H 1 4.045 0.020 . . . . . A 97 LEU HA . 25837 1 589 . 1 1 49 49 LEU HB2 H 1 1.592 0.020 . . . . . A 97 LEU HB2 . 25837 1 590 . 1 1 49 49 LEU HB3 H 1 1.592 0.020 . . . . . A 97 LEU HB3 . 25837 1 591 . 1 1 49 49 LEU HG H 1 1.781 0.020 . . . . . A 97 LEU HG . 25837 1 592 . 1 1 49 49 LEU HD11 H 1 0.887 0.020 . . . . . A 97 LEU HD11 . 25837 1 593 . 1 1 49 49 LEU HD12 H 1 0.887 0.020 . . . . . A 97 LEU HD12 . 25837 1 594 . 1 1 49 49 LEU HD13 H 1 0.887 0.020 . . . . . A 97 LEU HD13 . 25837 1 595 . 1 1 49 49 LEU HD21 H 1 0.861 0.020 . . . . . A 97 LEU HD21 . 25837 1 596 . 1 1 49 49 LEU HD22 H 1 0.861 0.020 . . . . . A 97 LEU HD22 . 25837 1 597 . 1 1 49 49 LEU HD23 H 1 0.861 0.020 . . . . . A 97 LEU HD23 . 25837 1 598 . 1 1 49 49 LEU C C 13 179.409 0.300 . . . . . A 97 LEU C . 25837 1 599 . 1 1 49 49 LEU CA C 13 57.648 0.300 . . . . . A 97 LEU CA . 25837 1 600 . 1 1 49 49 LEU CB C 13 41.670 0.300 . . . . . A 97 LEU CB . 25837 1 601 . 1 1 49 49 LEU CG C 13 26.845 0.300 . . . . . A 97 LEU CG . 25837 1 602 . 1 1 49 49 LEU CD1 C 13 24.689 0.300 . . . . . A 97 LEU CD1 . 25837 1 603 . 1 1 49 49 LEU CD2 C 13 23.053 0.300 . . . . . A 97 LEU CD2 . 25837 1 604 . 1 1 49 49 LEU N N 15 118.021 0.300 . . . . . A 97 LEU N . 25837 1 605 . 1 1 50 50 TYR H H 1 7.486 0.020 . . . . . A 98 TYR H . 25837 1 606 . 1 1 50 50 TYR HA H 1 4.291 0.020 . . . . . A 98 TYR HA . 25837 1 607 . 1 1 50 50 TYR HB2 H 1 3.218 0.020 . . . . . A 98 TYR HB2 . 25837 1 608 . 1 1 50 50 TYR HB3 H 1 3.029 0.020 . . . . . A 98 TYR HB3 . 25837 1 609 . 1 1 50 50 TYR HD1 H 1 7.050 0.020 . . . . . A 98 TYR HD1 . 25837 1 610 . 1 1 50 50 TYR HD2 H 1 7.050 0.020 . . . . . A 98 TYR HD2 . 25837 1 611 . 1 1 50 50 TYR HE1 H 1 6.635 0.020 . . . . . A 98 TYR HE1 . 25837 1 612 . 1 1 50 50 TYR HE2 H 1 6.635 0.020 . . . . . A 98 TYR HE2 . 25837 1 613 . 1 1 50 50 TYR C C 13 177.910 0.300 . . . . . A 98 TYR C . 25837 1 614 . 1 1 50 50 TYR CA C 13 60.678 0.300 . . . . . A 98 TYR CA . 25837 1 615 . 1 1 50 50 TYR CB C 13 37.798 0.300 . . . . . A 98 TYR CB . 25837 1 616 . 1 1 50 50 TYR CD2 C 13 133.373 0.300 . . . . . A 98 TYR CD2 . 25837 1 617 . 1 1 50 50 TYR CE2 C 13 117.336 0.300 . . . . . A 98 TYR CE2 . 25837 1 618 . 1 1 50 50 TYR N N 15 120.085 0.300 . . . . . A 98 TYR N . 25837 1 619 . 1 1 51 51 GLN H H 1 8.486 0.020 . . . . . A 99 GLN H . 25837 1 620 . 1 1 51 51 GLN HA H 1 3.768 0.020 . . . . . A 99 GLN HA . 25837 1 621 . 1 1 51 51 GLN HB2 H 1 2.250 0.020 . . . . . A 99 GLN HB2 . 25837 1 622 . 1 1 51 51 GLN HB3 H 1 2.107 0.020 . . . . . A 99 GLN HB3 . 25837 1 623 . 1 1 51 51 GLN HG2 H 1 2.622 0.020 . . . . . A 99 GLN HG2 . 25837 1 624 . 1 1 51 51 GLN HG3 H 1 2.450 0.020 . . . . . A 99 GLN HG3 . 25837 1 625 . 1 1 51 51 GLN HE21 H 1 7.413 0.020 . . . . . A 99 GLN HE21 . 25837 1 626 . 1 1 51 51 GLN HE22 H 1 6.867 0.020 . . . . . A 99 GLN HE22 . 25837 1 627 . 1 1 51 51 GLN C C 13 178.210 0.300 . . . . . A 99 GLN C . 25837 1 628 . 1 1 51 51 GLN CA C 13 58.090 0.300 . . . . . A 99 GLN CA . 25837 1 629 . 1 1 51 51 GLN CB C 13 28.395 0.300 . . . . . A 99 GLN CB . 25837 1 630 . 1 1 51 51 GLN CG C 13 34.263 0.300 . . . . . A 99 GLN CG . 25837 1 631 . 1 1 51 51 GLN N N 15 119.291 0.300 . . . . . A 99 GLN N . 25837 1 632 . 1 1 51 51 GLN NE2 N 15 111.985 0.300 . . . . . A 99 GLN NE2 . 25837 1 633 . 1 1 52 52 GLN H H 1 8.028 0.020 . . . . . A 100 GLN H . 25837 1 634 . 1 1 52 52 GLN HA H 1 4.119 0.020 . . . . . A 100 GLN HA . 25837 1 635 . 1 1 52 52 GLN HB2 H 1 2.127 0.020 . . . . . A 100 GLN HB2 . 25837 1 636 . 1 1 52 52 GLN HB3 H 1 2.127 0.020 . . . . . A 100 GLN HB3 . 25837 1 637 . 1 1 52 52 GLN HG2 H 1 2.548 0.020 . . . . . A 100 GLN HG2 . 25837 1 638 . 1 1 52 52 GLN HG3 H 1 2.431 0.020 . . . . . A 100 GLN HG3 . 25837 1 639 . 1 1 52 52 GLN HE21 H 1 7.882 0.020 . . . . . A 100 GLN HE21 . 25837 1 640 . 1 1 52 52 GLN HE22 H 1 6.936 0.020 . . . . . A 100 GLN HE22 . 25837 1 641 . 1 1 52 52 GLN C C 13 176.603 0.300 . . . . . A 100 GLN C . 25837 1 642 . 1 1 52 52 GLN CA C 13 57.163 0.300 . . . . . A 100 GLN CA . 25837 1 643 . 1 1 52 52 GLN CB C 13 28.533 0.300 . . . . . A 100 GLN CB . 25837 1 644 . 1 1 52 52 GLN CG C 13 34.053 0.300 . . . . . A 100 GLN CG . 25837 1 645 . 1 1 52 52 GLN N N 15 116.903 0.300 . . . . . A 100 GLN N . 25837 1 646 . 1 1 52 52 GLN NE2 N 15 112.098 0.300 . . . . . A 100 GLN NE2 . 25837 1 647 . 1 1 53 53 GLN H H 1 7.518 0.020 . . . . . A 101 GLN H . 25837 1 648 . 1 1 53 53 GLN HA H 1 4.256 0.020 . . . . . A 101 GLN HA . 25837 1 649 . 1 1 53 53 GLN HB2 H 1 2.128 0.020 . . . . . A 101 GLN HB2 . 25837 1 650 . 1 1 53 53 GLN HB3 H 1 1.989 0.020 . . . . . A 101 GLN HB3 . 25837 1 651 . 1 1 53 53 GLN HG2 H 1 2.462 0.020 . . . . . A 101 GLN HG2 . 25837 1 652 . 1 1 53 53 GLN HG3 H 1 2.362 0.020 . . . . . A 101 GLN HG3 . 25837 1 653 . 1 1 53 53 GLN HE21 H 1 7.366 0.020 . . . . . A 101 GLN HE21 . 25837 1 654 . 1 1 53 53 GLN HE22 H 1 6.947 0.020 . . . . . A 101 GLN HE22 . 25837 1 655 . 1 1 53 53 GLN C C 13 175.786 0.300 . . . . . A 101 GLN C . 25837 1 656 . 1 1 53 53 GLN CA C 13 55.719 0.300 . . . . . A 101 GLN CA . 25837 1 657 . 1 1 53 53 GLN CB C 13 28.965 0.300 . . . . . A 101 GLN CB . 25837 1 658 . 1 1 53 53 GLN CG C 13 33.773 0.300 . . . . . A 101 GLN CG . 25837 1 659 . 1 1 53 53 GLN N N 15 117.138 0.300 . . . . . A 101 GLN N . 25837 1 660 . 1 1 53 53 GLN NE2 N 15 111.192 0.300 . . . . . A 101 GLN NE2 . 25837 1 661 . 1 1 54 54 GLN H H 1 7.689 0.020 . . . . . A 102 GLN H . 25837 1 662 . 1 1 54 54 GLN HA H 1 4.440 0.020 . . . . . A 102 GLN HA . 25837 1 663 . 1 1 54 54 GLN HB2 H 1 2.022 0.020 . . . . . A 102 GLN HB2 . 25837 1 664 . 1 1 54 54 GLN HB3 H 1 1.832 0.020 . . . . . A 102 GLN HB3 . 25837 1 665 . 1 1 54 54 GLN HG2 H 1 2.247 0.020 . . . . . A 102 GLN HG2 . 25837 1 666 . 1 1 54 54 GLN HG3 H 1 2.168 0.020 . . . . . A 102 GLN HG3 . 25837 1 667 . 1 1 54 54 GLN HE21 H 1 7.073 0.020 . . . . . A 102 GLN HE21 . 25837 1 668 . 1 1 54 54 GLN HE22 H 1 6.706 0.020 . . . . . A 102 GLN HE22 . 25837 1 669 . 1 1 54 54 GLN CA C 13 53.431 0.300 . . . . . A 102 GLN CA . 25837 1 670 . 1 1 54 54 GLN CB C 13 27.980 0.300 . . . . . A 102 GLN CB . 25837 1 671 . 1 1 54 54 GLN CG C 13 32.933 0.300 . . . . . A 102 GLN CG . 25837 1 672 . 1 1 54 54 GLN N N 15 120.384 0.300 . . . . . A 102 GLN N . 25837 1 673 . 1 1 54 54 GLN NE2 N 15 113.750 0.300 . . . . . A 102 GLN NE2 . 25837 1 674 . 1 1 55 55 PRO HA H 1 4.392 0.020 . . . . . A 103 PRO HA . 25837 1 675 . 1 1 55 55 PRO HB2 H 1 2.276 0.020 . . . . . A 103 PRO HB2 . 25837 1 676 . 1 1 55 55 PRO HB3 H 1 1.881 0.020 . . . . . A 103 PRO HB3 . 25837 1 677 . 1 1 55 55 PRO HG2 H 1 2.014 0.020 . . . . . A 103 PRO HG2 . 25837 1 678 . 1 1 55 55 PRO HG3 H 1 1.983 0.020 . . . . . A 103 PRO HG3 . 25837 1 679 . 1 1 55 55 PRO HD2 H 1 3.711 0.020 . . . . . A 103 PRO HD2 . 25837 1 680 . 1 1 55 55 PRO HD3 H 1 3.584 0.020 . . . . . A 103 PRO HD3 . 25837 1 681 . 1 1 55 55 PRO C C 13 176.875 0.300 . . . . . A 103 PRO C . 25837 1 682 . 1 1 55 55 PRO CA C 13 63.110 0.300 . . . . . A 103 PRO CA . 25837 1 683 . 1 1 55 55 PRO CB C 13 31.883 0.300 . . . . . A 103 PRO CB . 25837 1 684 . 1 1 55 55 PRO CG C 13 27.335 0.300 . . . . . A 103 PRO CG . 25837 1 685 . 1 1 55 55 PRO CD C 13 50.497 0.300 . . . . . A 103 PRO CD . 25837 1 686 . 1 1 56 56 MET H H 1 8.461 0.020 . . . . . A 104 MET H . 25837 1 687 . 1 1 56 56 MET HA H 1 4.429 0.020 . . . . . A 104 MET HA . 25837 1 688 . 1 1 56 56 MET HB2 H 1 2.075 0.020 . . . . . A 104 MET HB2 . 25837 1 689 . 1 1 56 56 MET HB3 H 1 1.991 0.020 . . . . . A 104 MET HB3 . 25837 1 690 . 1 1 56 56 MET HG2 H 1 2.611 0.020 . . . . . A 104 MET HG2 . 25837 1 691 . 1 1 56 56 MET HG3 H 1 2.549 0.020 . . . . . A 104 MET HG3 . 25837 1 692 . 1 1 56 56 MET C C 13 175.786 0.300 . . . . . A 104 MET C . 25837 1 693 . 1 1 56 56 MET CA C 13 55.365 0.300 . . . . . A 104 MET CA . 25837 1 694 . 1 1 56 56 MET CB C 13 32.682 0.300 . . . . . A 104 MET CB . 25837 1 695 . 1 1 56 56 MET CG C 13 31.930 0.300 . . . . . A 104 MET CG . 25837 1 696 . 1 1 56 56 MET N N 15 120.498 0.300 . . . . . A 104 MET N . 25837 1 697 . 1 1 57 57 ASN H H 1 8.439 0.020 . . . . . A 105 ASN H . 25837 1 698 . 1 1 57 57 ASN HA H 1 4.723 0.020 . . . . . A 105 ASN HA . 25837 1 699 . 1 1 57 57 ASN HB2 H 1 2.826 0.020 . . . . . A 105 ASN HB2 . 25837 1 700 . 1 1 57 57 ASN HB3 H 1 2.717 0.020 . . . . . A 105 ASN HB3 . 25837 1 701 . 1 1 57 57 ASN HD21 H 1 7.606 0.020 . . . . . A 105 ASN HD21 . 25837 1 702 . 1 1 57 57 ASN HD22 H 1 6.885 0.020 . . . . . A 105 ASN HD22 . 25837 1 703 . 1 1 57 57 ASN C C 13 173.933 0.300 . . . . . A 105 ASN C . 25837 1 704 . 1 1 57 57 ASN CA C 13 53.322 0.300 . . . . . A 105 ASN CA . 25837 1 705 . 1 1 57 57 ASN CB C 13 38.974 0.300 . . . . . A 105 ASN CB . 25837 1 706 . 1 1 57 57 ASN N N 15 120.052 0.300 . . . . . A 105 ASN N . 25837 1 707 . 1 1 57 57 ASN ND2 N 15 113.079 0.300 . . . . . A 105 ASN ND2 . 25837 1 708 . 1 1 58 58 GLU H H 1 7.935 0.020 . . . . . A 106 GLU H . 25837 1 709 . 1 1 58 58 GLU HA H 1 4.121 0.020 . . . . . A 106 GLU HA . 25837 1 710 . 1 1 58 58 GLU HB2 H 1 2.035 0.020 . . . . . A 106 GLU HB2 . 25837 1 711 . 1 1 58 58 GLU HB3 H 1 1.862 0.020 . . . . . A 106 GLU HB3 . 25837 1 712 . 1 1 58 58 GLU HG2 H 1 2.167 0.020 . . . . . A 106 GLU HG2 . 25837 1 713 . 1 1 58 58 GLU HG3 H 1 2.167 0.020 . . . . . A 106 GLU HG3 . 25837 1 714 . 1 1 58 58 GLU CA C 13 57.981 0.300 . . . . . A 106 GLU CA . 25837 1 715 . 1 1 58 58 GLU CB C 13 31.091 0.300 . . . . . A 106 GLU CB . 25837 1 716 . 1 1 58 58 GLU CG C 13 36.502 0.300 . . . . . A 106 GLU CG . 25837 1 717 . 1 1 58 58 GLU N N 15 125.971 0.300 . . . . . A 106 GLU N . 25837 1 stop_ save_