data_25838 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25838 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal intrinsically disordered domain of Alb3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-10-06 _Entry.Accession_date 2015-10-06 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _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 Michael Sattler . . . 25838 2 Janosch Hennig . . . 25838 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25838 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 153 25838 '15N chemical shifts' 79 25838 '1H chemical shifts' 119 25838 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 . . 2016-01-06 . original BMRB . 25838 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 25838 _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 . . . 25838 1 2 Janosch Hennig . . . 25838 1 3 Yasar Ahmed . L. . 25838 1 4 Gunter Stier . . . 25838 1 5 Klemens Wild . . . 25838 1 6 Michael Sattler . . . 25838 1 7 Janosch Hennig . . . 25838 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25838 _Assembly.ID 1 _Assembly.Name 'A3CT monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11300 _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 'A3CT monomer' 1 $Alb3-A3CT A . yes native no no . . . 25838 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Alb3-A3CT _Entity.Sf_category entity _Entity.Sf_framecode Alb3-A3CT _Entity.Entry_ID 25838 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Alb3-A3CT _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 ; MDENASKIISAGRAKRSIAQ PDDAGERFRQLKEQEKRSKK NKAVAKDTVELVEESQSESE EGSDDEEEEAREGALASSTT SKPLPEVGQRRSKRSKRKRT V ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment A3CT _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 . 25838 1 2 . ASP . 25838 1 3 . GLU . 25838 1 4 . ASN . 25838 1 5 . ALA . 25838 1 6 . SER . 25838 1 7 . LYS . 25838 1 8 . ILE . 25838 1 9 . ILE . 25838 1 10 . SER . 25838 1 11 . ALA . 25838 1 12 . GLY . 25838 1 13 . ARG . 25838 1 14 . ALA . 25838 1 15 . LYS . 25838 1 16 . ARG . 25838 1 17 . SER . 25838 1 18 . ILE . 25838 1 19 . ALA . 25838 1 20 . GLN . 25838 1 21 . PRO . 25838 1 22 . ASP . 25838 1 23 . ASP . 25838 1 24 . ALA . 25838 1 25 . GLY . 25838 1 26 . GLU . 25838 1 27 . ARG . 25838 1 28 . PHE . 25838 1 29 . ARG . 25838 1 30 . GLN . 25838 1 31 . LEU . 25838 1 32 . LYS . 25838 1 33 . GLU . 25838 1 34 . GLN . 25838 1 35 . GLU . 25838 1 36 . LYS . 25838 1 37 . ARG . 25838 1 38 . SER . 25838 1 39 . LYS . 25838 1 40 . LYS . 25838 1 41 . ASN . 25838 1 42 . LYS . 25838 1 43 . ALA . 25838 1 44 . VAL . 25838 1 45 . ALA . 25838 1 46 . LYS . 25838 1 47 . ASP . 25838 1 48 . THR . 25838 1 49 . VAL . 25838 1 50 . GLU . 25838 1 51 . LEU . 25838 1 52 . VAL . 25838 1 53 . GLU . 25838 1 54 . GLU . 25838 1 55 . SER . 25838 1 56 . GLN . 25838 1 57 . SER . 25838 1 58 . GLU . 25838 1 59 . SER . 25838 1 60 . GLU . 25838 1 61 . GLU . 25838 1 62 . GLY . 25838 1 63 . SER . 25838 1 64 . ASP . 25838 1 65 . ASP . 25838 1 66 . GLU . 25838 1 67 . GLU . 25838 1 68 . GLU . 25838 1 69 . GLU . 25838 1 70 . ALA . 25838 1 71 . ARG . 25838 1 72 . GLU . 25838 1 73 . GLY . 25838 1 74 . ALA . 25838 1 75 . LEU . 25838 1 76 . ALA . 25838 1 77 . SER . 25838 1 78 . SER . 25838 1 79 . THR . 25838 1 80 . THR . 25838 1 81 . SER . 25838 1 82 . LYS . 25838 1 83 . PRO . 25838 1 84 . LEU . 25838 1 85 . PRO . 25838 1 86 . GLU . 25838 1 87 . VAL . 25838 1 88 . GLY . 25838 1 89 . GLN . 25838 1 90 . ARG . 25838 1 91 . ARG . 25838 1 92 . SER . 25838 1 93 . LYS . 25838 1 94 . ARG . 25838 1 95 . SER . 25838 1 96 . LYS . 25838 1 97 . ARG . 25838 1 98 . LYS . 25838 1 99 . ARG . 25838 1 100 . THR . 25838 1 101 . VAL . 25838 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 25838 1 . ASP 2 2 25838 1 . GLU 3 3 25838 1 . ASN 4 4 25838 1 . ALA 5 5 25838 1 . SER 6 6 25838 1 . LYS 7 7 25838 1 . ILE 8 8 25838 1 . ILE 9 9 25838 1 . SER 10 10 25838 1 . ALA 11 11 25838 1 . GLY 12 12 25838 1 . ARG 13 13 25838 1 . ALA 14 14 25838 1 . LYS 15 15 25838 1 . ARG 16 16 25838 1 . SER 17 17 25838 1 . ILE 18 18 25838 1 . ALA 19 19 25838 1 . GLN 20 20 25838 1 . PRO 21 21 25838 1 . ASP 22 22 25838 1 . ASP 23 23 25838 1 . ALA 24 24 25838 1 . GLY 25 25 25838 1 . GLU 26 26 25838 1 . ARG 27 27 25838 1 . PHE 28 28 25838 1 . ARG 29 29 25838 1 . GLN 30 30 25838 1 . LEU 31 31 25838 1 . LYS 32 32 25838 1 . GLU 33 33 25838 1 . GLN 34 34 25838 1 . GLU 35 35 25838 1 . LYS 36 36 25838 1 . ARG 37 37 25838 1 . SER 38 38 25838 1 . LYS 39 39 25838 1 . LYS 40 40 25838 1 . ASN 41 41 25838 1 . LYS 42 42 25838 1 . ALA 43 43 25838 1 . VAL 44 44 25838 1 . ALA 45 45 25838 1 . LYS 46 46 25838 1 . ASP 47 47 25838 1 . THR 48 48 25838 1 . VAL 49 49 25838 1 . GLU 50 50 25838 1 . LEU 51 51 25838 1 . VAL 52 52 25838 1 . GLU 53 53 25838 1 . GLU 54 54 25838 1 . SER 55 55 25838 1 . GLN 56 56 25838 1 . SER 57 57 25838 1 . GLU 58 58 25838 1 . SER 59 59 25838 1 . GLU 60 60 25838 1 . GLU 61 61 25838 1 . GLY 62 62 25838 1 . SER 63 63 25838 1 . ASP 64 64 25838 1 . ASP 65 65 25838 1 . GLU 66 66 25838 1 . GLU 67 67 25838 1 . GLU 68 68 25838 1 . GLU 69 69 25838 1 . ALA 70 70 25838 1 . ARG 71 71 25838 1 . GLU 72 72 25838 1 . GLY 73 73 25838 1 . ALA 74 74 25838 1 . LEU 75 75 25838 1 . ALA 76 76 25838 1 . SER 77 77 25838 1 . SER 78 78 25838 1 . THR 79 79 25838 1 . THR 80 80 25838 1 . SER 81 81 25838 1 . LYS 82 82 25838 1 . PRO 83 83 25838 1 . LEU 84 84 25838 1 . PRO 85 85 25838 1 . GLU 86 86 25838 1 . VAL 87 87 25838 1 . GLY 88 88 25838 1 . GLN 89 89 25838 1 . ARG 90 90 25838 1 . ARG 91 91 25838 1 . SER 92 92 25838 1 . LYS 93 93 25838 1 . ARG 94 94 25838 1 . SER 95 95 25838 1 . LYS 96 96 25838 1 . ARG 97 97 25838 1 . LYS 98 98 25838 1 . ARG 99 99 25838 1 . THR 100 100 25838 1 . VAL 101 101 25838 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 25838 _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 $Alb3-A3CT . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 25838 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 25838 _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 $Alb3-A3CT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21d . . . 25838 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25838 _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 Alb3-A3CT '[U-100% 13C; U-100% 15N]' . . 1 $Alb3-A3CT . . 0.45 0.2 0.7 mM . . . . 25838 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25838 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25838 1 4 D2O [U-2H] . . . . . . 10 . . % . . . . 25838 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 25838 _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 25838 1 pH 6.5 . pH 25838 1 pressure 1 . atm 25838 1 temperature 298 . K 25838 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25838 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25838 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25838 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25838 _Software.ID 2 _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' . . 25838 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25838 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25838 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25838 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25838 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25838 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25838 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 800 . . . 25838 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 25838 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25838 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25838 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25838 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 25838 _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 . . . . . . . . . 25838 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25838 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25838 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 25838 _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' . . . 25838 1 2 '3D HNCACB' . . . 25838 1 3 '3D HNCA' . . . 25838 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 3 3 GLU H H 1 8.690 0.020 . 1 . . . . 3 GLU H . 25838 1 2 . 1 1 3 3 GLU CA C 13 57.254 0.3 . 1 . . . . 3 GLU CA . 25838 1 3 . 1 1 3 3 GLU CB C 13 29.548 0.3 . 1 . . . . 3 GLU CB . 25838 1 4 . 1 1 3 3 GLU N N 15 122.011 0.3 . 1 . . . . 3 GLU N . 25838 1 5 . 1 1 4 4 ASN H H 1 8.453 0.020 . 1 . . . . 4 ASN H . 25838 1 6 . 1 1 4 4 ASN HA H 1 4.655 0.020 . 1 . . . . 4 ASN HA . 25838 1 7 . 1 1 4 4 ASN CA C 13 53.611 0.3 . 1 . . . . 4 ASN CA . 25838 1 8 . 1 1 4 4 ASN CB C 13 38.624 0.3 . 1 . . . . 4 ASN CB . 25838 1 9 . 1 1 4 4 ASN N N 15 118.738 0.3 . 1 . . . . 4 ASN N . 25838 1 10 . 1 1 5 5 ALA H H 1 8.112 0.020 . 1 . . . . 5 ALA H . 25838 1 11 . 1 1 5 5 ALA CA C 13 53.074 0.3 . 1 . . . . 5 ALA CA . 25838 1 12 . 1 1 5 5 ALA CB C 13 18.860 0.3 . 1 . . . . 5 ALA CB . 25838 1 13 . 1 1 5 5 ALA N N 15 123.902 0.3 . 1 . . . . 5 ALA N . 25838 1 14 . 1 1 6 6 SER H H 1 8.214 0.020 . 1 . . . . 6 SER H . 25838 1 15 . 1 1 6 6 SER HA H 1 4.336 0.020 . 1 . . . . 6 SER HA . 25838 1 16 . 1 1 6 6 SER CA C 13 58.687 0.3 . 1 . . . . 6 SER CA . 25838 1 17 . 1 1 6 6 SER CB C 13 63.344 0.3 . 1 . . . . 6 SER CB . 25838 1 18 . 1 1 6 6 SER N N 15 113.998 0.3 . 1 . . . . 6 SER N . 25838 1 19 . 1 1 7 7 LYS H H 1 8.120 0.020 . 1 . . . . 7 LYS H . 25838 1 20 . 1 1 7 7 LYS CA C 13 56.537 0.3 . 1 . . . . 7 LYS CA . 25838 1 21 . 1 1 7 7 LYS CB C 13 32.653 0.3 . 1 . . . . 7 LYS CB . 25838 1 22 . 1 1 7 7 LYS N N 15 122.798 0.3 . 1 . . . . 7 LYS N . 25838 1 23 . 1 1 8 8 ILE H H 1 7.995 0.020 . 1 . . . . 8 ILE H . 25838 1 24 . 1 1 8 8 ILE CA C 13 61.254 0.3 . 1 . . . . 8 ILE CA . 25838 1 25 . 1 1 8 8 ILE CB C 13 38.146 0.3 . 1 . . . . 8 ILE CB . 25838 1 26 . 1 1 8 8 ILE N N 15 121.484 0.3 . 1 . . . . 8 ILE N . 25838 1 27 . 1 1 9 9 ILE H H 1 8.208 0.020 . 1 . . . . 9 ILE H . 25838 1 28 . 1 1 9 9 ILE CA C 13 61.135 0.3 . 1 . . . . 9 ILE CA . 25838 1 29 . 1 1 9 9 ILE CB C 13 38.206 0.3 . 1 . . . . 9 ILE CB . 25838 1 30 . 1 1 9 9 ILE N N 15 125.121 0.3 . 1 . . . . 9 ILE N . 25838 1 31 . 1 1 11 11 ALA H H 1 8.338 0.020 . 1 . . . . 11 ALA H . 25838 1 32 . 1 1 11 11 ALA CA C 13 52.775 0.3 . 1 . . . . 11 ALA CA . 25838 1 33 . 1 1 11 11 ALA CB C 13 18.920 0.3 . 1 . . . . 11 ALA CB . 25838 1 34 . 1 1 11 11 ALA N N 15 126.224 0.3 . 1 . . . . 11 ALA N . 25838 1 35 . 1 1 12 12 GLY H H 1 8.320 0.020 . 1 . . . . 12 GLY H . 25838 1 36 . 1 1 12 12 GLY HA2 H 1 3.905 0.020 . 1 . . . . 12 GLY HA2 . 25838 1 37 . 1 1 12 12 GLY HA3 H 1 3.905 0.020 . 1 . . . . 12 GLY HA3 . 25838 1 38 . 1 1 12 12 GLY CA C 13 45.311 0.3 . 1 . . . . 12 GLY CA . 25838 1 39 . 1 1 12 12 GLY N N 15 107.631 0.3 . 1 . . . . 12 GLY N . 25838 1 40 . 1 1 13 13 ARG H H 1 8.091 0.020 . 1 . . . . 13 ARG H . 25838 1 41 . 1 1 13 13 ARG CA C 13 55.880 0.3 . 1 . . . . 13 ARG CA . 25838 1 42 . 1 1 13 13 ARG CB C 13 30.563 0.3 . 1 . . . . 13 ARG CB . 25838 1 43 . 1 1 13 13 ARG N N 15 120.520 0.3 . 1 . . . . 13 ARG N . 25838 1 44 . 1 1 15 15 LYS H H 1 8.586 0.020 . 1 . . . . 15 LYS H . 25838 1 45 . 1 1 15 15 LYS HA H 1 4.446 0.020 . 1 . . . . 15 LYS HA . 25838 1 46 . 1 1 15 15 LYS CA C 13 55.522 0.3 . 1 . . . . 15 LYS CA . 25838 1 47 . 1 1 15 15 LYS CB C 13 32.414 0.3 . 1 . . . . 15 LYS CB . 25838 1 48 . 1 1 15 15 LYS N N 15 119.664 0.3 . 1 . . . . 15 LYS N . 25838 1 49 . 1 1 18 18 ILE H H 1 8.135 0.020 . 1 . . . . 18 ILE H . 25838 1 50 . 1 1 18 18 ILE CA C 13 61.075 0.3 . 1 . . . . 18 ILE CA . 25838 1 51 . 1 1 18 18 ILE CB C 13 38.684 0.3 . 1 . . . . 18 ILE CB . 25838 1 52 . 1 1 18 18 ILE N N 15 122.270 0.3 . 1 . . . . 18 ILE N . 25838 1 53 . 1 1 19 19 ALA H H 1 8.317 0.020 . 1 . . . . 19 ALA H . 25838 1 54 . 1 1 19 19 ALA CA C 13 52.238 0.3 . 1 . . . . 19 ALA CA . 25838 1 55 . 1 1 19 19 ALA CB C 13 19.158 0.3 . 1 . . . . 19 ALA CB . 25838 1 56 . 1 1 19 19 ALA N N 15 127.736 0.3 . 1 . . . . 19 ALA N . 25838 1 57 . 1 1 20 20 GLN H H 1 8.339 0.020 . 1 . . . . 20 GLN H . 25838 1 58 . 1 1 20 20 GLN CA C 13 53.253 0.3 . 1 . . . . 20 GLN CA . 25838 1 59 . 1 1 20 20 GLN CB C 13 28.831 0.3 . 1 . . . . 20 GLN CB . 25838 1 60 . 1 1 20 20 GLN N N 15 120.840 0.3 . 1 . . . . 20 GLN N . 25838 1 61 . 1 1 22 22 ASP H H 1 8.464 0.020 . 1 . . . . 22 ASP H . 25838 1 62 . 1 1 22 22 ASP HA H 1 4.516 0.020 . 1 . . . . 22 ASP HA . 25838 1 63 . 1 1 22 22 ASP CA C 13 54.149 0.3 . 1 . . . . 22 ASP CA . 25838 1 64 . 1 1 22 22 ASP CB C 13 40.833 0.3 . 1 . . . . 22 ASP CB . 25838 1 65 . 1 1 22 22 ASP N N 15 120.366 0.3 . 1 . . . . 22 ASP N . 25838 1 66 . 1 1 23 23 ASP H H 1 8.188 0.020 . 1 . . . . 23 ASP H . 25838 1 67 . 1 1 23 23 ASP CA C 13 54.208 0.3 . 1 . . . . 23 ASP CA . 25838 1 68 . 1 1 23 23 ASP CB C 13 41.012 0.3 . 1 . . . . 23 ASP CB . 25838 1 69 . 1 1 23 23 ASP N N 15 121.032 0.3 . 1 . . . . 23 ASP N . 25838 1 70 . 1 1 24 24 ALA H H 1 8.382 0.020 . 1 . . . . 24 ALA H . 25838 1 71 . 1 1 24 24 ALA CA C 13 53.731 0.3 . 1 . . . . 24 ALA CA . 25838 1 72 . 1 1 24 24 ALA CB C 13 18.740 0.3 . 1 . . . . 24 ALA CB . 25838 1 73 . 1 1 24 24 ALA N N 15 124.545 0.3 . 1 . . . . 24 ALA N . 25838 1 74 . 1 1 25 25 GLY H H 1 8.438 0.020 . 1 . . . . 25 GLY H . 25838 1 75 . 1 1 25 25 GLY HA2 H 1 3.947 0.020 . 1 . . . . 25 GLY HA2 . 25838 1 76 . 1 1 25 25 GLY HA3 H 1 3.947 0.020 . 1 . . . . 25 GLY HA3 . 25838 1 77 . 1 1 25 25 GLY CA C 13 45.909 0.3 . 1 . . . . 25 GLY CA . 25838 1 78 . 1 1 25 25 GLY N N 15 107.288 0.3 . 1 . . . . 25 GLY N . 25838 1 79 . 1 1 26 26 GLU H H 1 8.245 0.020 . 1 . . . . 26 GLU H . 25838 1 80 . 1 1 26 26 GLU CA C 13 57.910 0.3 . 1 . . . . 26 GLU CA . 25838 1 81 . 1 1 26 26 GLU CB C 13 29.548 0.3 . 1 . . . . 26 GLU CB . 25838 1 82 . 1 1 26 26 GLU N N 15 122.069 0.3 . 1 . . . . 26 GLU N . 25838 1 83 . 1 1 27 27 ARG H H 1 8.279 0.020 . 1 . . . . 27 ARG H . 25838 1 84 . 1 1 27 27 ARG HA H 1 4.058 0.020 . 1 . . . . 27 ARG HA . 25838 1 85 . 1 1 27 27 ARG CA C 13 58.089 0.3 . 1 . . . . 27 ARG CA . 25838 1 86 . 1 1 27 27 ARG CB C 13 29.727 0.3 . 1 . . . . 27 ARG CB . 25838 1 87 . 1 1 27 27 ARG N N 15 120.196 0.3 . 1 . . . . 27 ARG N . 25838 1 88 . 1 1 28 28 PHE H H 1 8.094 0.020 . 1 . . . . 28 PHE H . 25838 1 89 . 1 1 28 28 PHE HA H 1 4.405 0.020 . 1 . . . . 28 PHE HA . 25838 1 90 . 1 1 28 28 PHE CA C 13 59.343 0.3 . 1 . . . . 28 PHE CA . 25838 1 91 . 1 1 28 28 PHE CB C 13 38.684 0.3 . 1 . . . . 28 PHE CB . 25838 1 92 . 1 1 28 28 PHE N N 15 119.267 0.3 . 1 . . . . 28 PHE N . 25838 1 93 . 1 1 29 29 ARG H H 1 8.033 0.020 . 1 . . . . 29 ARG H . 25838 1 94 . 1 1 29 29 ARG HA H 1 4.044 0.020 . 1 . . . . 29 ARG HA . 25838 1 95 . 1 1 29 29 ARG CA C 13 58.089 0.3 . 1 . . . . 29 ARG CA . 25838 1 96 . 1 1 29 29 ARG CB C 13 30.265 0.3 . 1 . . . . 29 ARG CB . 25838 1 97 . 1 1 29 29 ARG N N 15 120.713 0.3 . 1 . . . . 29 ARG N . 25838 1 98 . 1 1 30 30 GLN H H 1 8.268 0.020 . 1 . . . . 30 GLN H . 25838 1 99 . 1 1 30 30 GLN HA H 1 4.114 0.020 . 1 . . . . 30 GLN HA . 25838 1 100 . 1 1 30 30 GLN CA C 13 57.313 0.3 . 1 . . . . 30 GLN CA . 25838 1 101 . 1 1 30 30 GLN CB C 13 28.533 0.3 . 1 . . . . 30 GLN CB . 25838 1 102 . 1 1 30 30 GLN N N 15 119.549 0.3 . 1 . . . . 30 GLN N . 25838 1 103 . 1 1 31 31 LEU H H 1 8.103 0.020 . 1 . . . . 31 LEU H . 25838 1 104 . 1 1 31 31 LEU CA C 13 56.776 0.3 . 1 . . . . 31 LEU CA . 25838 1 105 . 1 1 31 31 LEU CB C 13 41.789 0.3 . 1 . . . . 31 LEU CB . 25838 1 106 . 1 1 31 31 LEU N N 15 122.241 0.3 . 1 . . . . 31 LEU N . 25838 1 107 . 1 1 32 32 LYS H H 1 8.131 0.020 . 1 . . . . 32 LYS H . 25838 1 108 . 1 1 32 32 LYS CA C 13 57.134 0.3 . 1 . . . . 32 LYS CA . 25838 1 109 . 1 1 32 32 LYS CB C 13 31.936 0.3 . 1 . . . . 32 LYS CB . 25838 1 110 . 1 1 32 32 LYS N N 15 120.485 0.3 . 1 . . . . 32 LYS N . 25838 1 111 . 1 1 34 34 GLN H H 1 8.206 0.020 . 1 . . . . 34 GLN H . 25838 1 112 . 1 1 34 34 GLN HA H 1 4.114 0.020 . 1 . . . . 34 GLN HA . 25838 1 113 . 1 1 34 34 GLN CA C 13 57.254 0.3 . 1 . . . . 34 GLN CA . 25838 1 114 . 1 1 34 34 GLN CB C 13 28.772 0.3 . 1 . . . . 34 GLN CB . 25838 1 115 . 1 1 34 34 GLN N N 15 119.614 0.3 . 1 . . . . 34 GLN N . 25838 1 116 . 1 1 35 35 GLU H H 1 8.194 0.020 . 1 . . . . 35 GLU H . 25838 1 117 . 1 1 35 35 GLU CA C 13 57.612 0.3 . 1 . . . . 35 GLU CA . 25838 1 118 . 1 1 35 35 GLU CB C 13 29.847 0.3 . 1 . . . . 35 GLU CB . 25838 1 119 . 1 1 35 35 GLU N N 15 120.971 0.3 . 1 . . . . 35 GLU N . 25838 1 120 . 1 1 36 36 LYS H H 1 8.050 0.020 . 1 . . . . 36 LYS H . 25838 1 121 . 1 1 36 36 LYS HA H 1 4.128 0.020 . 1 . . . . 36 LYS HA . 25838 1 122 . 1 1 36 36 LYS CA C 13 57.492 0.3 . 1 . . . . 36 LYS CA . 25838 1 123 . 1 1 36 36 LYS CB C 13 32.414 0.3 . 1 . . . . 36 LYS CB . 25838 1 124 . 1 1 36 36 LYS N N 15 120.743 0.3 . 1 . . . . 36 LYS N . 25838 1 125 . 1 1 37 37 ARG H H 1 8.090 0.020 . 1 . . . . 37 ARG H . 25838 1 126 . 1 1 37 37 ARG HA H 1 4.225 0.020 . 1 . . . . 37 ARG HA . 25838 1 127 . 1 1 37 37 ARG CA C 13 56.955 0.3 . 1 . . . . 37 ARG CA . 25838 1 128 . 1 1 37 37 ARG CB C 13 30.553 0.3 . 1 . . . . 37 ARG CB . 25838 1 129 . 1 1 37 37 ARG N N 15 120.104 0.3 . 1 . . . . 37 ARG N . 25838 1 130 . 1 1 38 38 SER H H 1 8.171 0.020 . 1 . . . . 38 SER H . 25838 1 131 . 1 1 38 38 SER HA H 1 4.322 0.020 . 1 . . . . 38 SER HA . 25838 1 132 . 1 1 38 38 SER CA C 13 58.746 0.3 . 1 . . . . 38 SER CA . 25838 1 133 . 1 1 38 38 SER CB C 13 63.583 0.3 . 1 . . . . 38 SER CB . 25838 1 134 . 1 1 38 38 SER N N 15 115.970 0.3 . 1 . . . . 38 SER N . 25838 1 135 . 1 1 42 42 LYS H H 1 8.239 0.020 . 1 . . . . 42 LYS H . 25838 1 136 . 1 1 42 42 LYS CA C 13 56.238 0.3 . 1 . . . . 42 LYS CA . 25838 1 137 . 1 1 42 42 LYS CB C 13 32.772 0.3 . 1 . . . . 42 LYS CB . 25838 1 138 . 1 1 42 42 LYS N N 15 121.905 0.3 . 1 . . . . 42 LYS N . 25838 1 139 . 1 1 43 43 ALA H H 1 8.274 0.020 . 1 . . . . 43 ALA H . 25838 1 140 . 1 1 43 43 ALA CA C 13 52.357 0.3 . 1 . . . . 43 ALA CA . 25838 1 141 . 1 1 43 43 ALA CB C 13 19.039 0.3 . 1 . . . . 43 ALA CB . 25838 1 142 . 1 1 43 43 ALA N N 15 125.236 0.3 . 1 . . . . 43 ALA N . 25838 1 143 . 1 1 44 44 VAL H H 1 8.044 0.020 . 1 . . . . 44 VAL H . 25838 1 144 . 1 1 44 44 VAL HA H 1 4.058 0.020 . 1 . . . . 44 VAL HA . 25838 1 145 . 1 1 44 44 VAL CA C 13 61.911 0.3 . 1 . . . . 44 VAL CA . 25838 1 146 . 1 1 44 44 VAL CB C 13 32.713 0.3 . 1 . . . . 44 VAL CB . 25838 1 147 . 1 1 44 44 VAL N N 15 119.256 0.3 . 1 . . . . 44 VAL N . 25838 1 148 . 1 1 45 45 ALA H H 1 8.344 0.020 . 1 . . . . 45 ALA H . 25838 1 149 . 1 1 45 45 ALA CA C 13 52.238 0.3 . 1 . . . . 45 ALA CA . 25838 1 150 . 1 1 45 45 ALA CB C 13 19.218 0.3 . 1 . . . . 45 ALA CB . 25838 1 151 . 1 1 45 45 ALA N N 15 127.982 0.3 . 1 . . . . 45 ALA N . 25838 1 152 . 1 1 46 46 LYS H H 1 8.314 0.020 . 1 . . . . 46 LYS H . 25838 1 153 . 1 1 46 46 LYS CA C 13 56.298 0.3 . 1 . . . . 46 LYS CA . 25838 1 154 . 1 1 46 46 LYS CB C 13 32.892 0.3 . 1 . . . . 46 LYS CB . 25838 1 155 . 1 1 46 46 LYS N N 15 120.847 0.3 . 1 . . . . 46 LYS N . 25838 1 156 . 1 1 47 47 ASP H H 1 8.391 0.020 . 1 . . . . 47 ASP H . 25838 1 157 . 1 1 47 47 ASP HA H 1 4.586 0.020 . 1 . . . . 47 ASP HA . 25838 1 158 . 1 1 47 47 ASP CA C 13 54.268 0.3 . 1 . . . . 47 ASP CA . 25838 1 159 . 1 1 47 47 ASP CB C 13 40.833 0.3 . 1 . . . . 47 ASP CB . 25838 1 160 . 1 1 47 47 ASP N N 15 120.786 0.3 . 1 . . . . 47 ASP N . 25838 1 161 . 1 1 48 48 THR H H 1 8.003 0.020 . 1 . . . . 48 THR H . 25838 1 162 . 1 1 48 48 THR HA H 1 4.280 0.020 . 1 . . . . 48 THR HA . 25838 1 163 . 1 1 48 48 THR CA C 13 61.732 0.3 . 1 . . . . 48 THR CA . 25838 1 164 . 1 1 48 48 THR CB C 13 69.614 0.3 . 1 . . . . 48 THR CB . 25838 1 165 . 1 1 48 48 THR N N 15 114.017 0.3 . 1 . . . . 48 THR N . 25838 1 166 . 1 1 49 49 VAL H H 1 7.783 0.020 . 1 . . . . 49 VAL H . 25838 1 167 . 1 1 49 49 VAL CA C 13 63.583 0.3 . 1 . . . . 49 VAL CA . 25838 1 168 . 1 1 49 49 VAL CB C 13 33.011 0.3 . 1 . . . . 49 VAL CB . 25838 1 169 . 1 1 49 49 VAL N N 15 126.205 0.3 . 1 . . . . 49 VAL N . 25838 1 170 . 1 1 51 51 LEU H H 1 8.296 0.020 . 1 . . . . 51 LEU H . 25838 1 171 . 1 1 51 51 LEU CA C 13 54.925 0.3 . 1 . . . . 51 LEU CA . 25838 1 172 . 1 1 51 51 LEU CB C 13 42.147 0.3 . 1 . . . . 51 LEU CB . 25838 1 173 . 1 1 51 51 LEU N N 15 124.132 0.3 . 1 . . . . 51 LEU N . 25838 1 174 . 1 1 52 52 VAL H H 1 8.190 0.020 . 1 . . . . 52 VAL H . 25838 1 175 . 1 1 52 52 VAL CA C 13 62.150 0.3 . 1 . . . . 52 VAL CA . 25838 1 176 . 1 1 52 52 VAL CB C 13 32.713 0.3 . 1 . . . . 52 VAL CB . 25838 1 177 . 1 1 52 52 VAL N N 15 122.126 0.3 . 1 . . . . 52 VAL N . 25838 1 178 . 1 1 53 53 GLU H H 1 8.523 0.020 . 1 . . . . 53 GLU H . 25838 1 179 . 1 1 53 53 GLU CA C 13 56.298 0.3 . 1 . . . . 53 GLU CA . 25838 1 180 . 1 1 53 53 GLU CB C 13 30.265 0.3 . 1 . . . . 53 GLU CB . 25838 1 181 . 1 1 53 53 GLU N N 15 125.034 0.3 . 1 . . . . 53 GLU N . 25838 1 182 . 1 1 54 54 GLU H H 1 8.510 0.020 . 1 . . . . 54 GLU H . 25838 1 183 . 1 1 54 54 GLU CA C 13 56.477 0.3 . 1 . . . . 54 GLU CA . 25838 1 184 . 1 1 54 54 GLU CB C 13 30.205 0.3 . 1 . . . . 54 GLU CB . 25838 1 185 . 1 1 54 54 GLU N N 15 122.645 0.3 . 1 . . . . 54 GLU N . 25838 1 186 . 1 1 55 55 SER H H 1 8.419 0.020 . 1 . . . . 55 SER H . 25838 1 187 . 1 1 55 55 SER HA H 1 4.391 0.020 . 1 . . . . 55 SER HA . 25838 1 188 . 1 1 55 55 SER CA C 13 58.328 0.3 . 1 . . . . 55 SER CA . 25838 1 189 . 1 1 55 55 SER CB C 13 63.583 0.3 . 1 . . . . 55 SER CB . 25838 1 190 . 1 1 55 55 SER N N 15 117.024 0.3 . 1 . . . . 55 SER N . 25838 1 191 . 1 1 56 56 GLN H H 1 8.486 0.020 . 1 . . . . 56 GLN H . 25838 1 192 . 1 1 56 56 GLN CA C 13 55.820 0.3 . 1 . . . . 56 GLN CA . 25838 1 193 . 1 1 56 56 GLN CB C 13 29.369 0.3 . 1 . . . . 56 GLN CB . 25838 1 194 . 1 1 56 56 GLN N N 15 122.462 0.3 . 1 . . . . 56 GLN N . 25838 1 195 . 1 1 57 57 SER H H 1 8.383 0.020 . 1 . . . . 57 SER H . 25838 1 196 . 1 1 57 57 SER HA H 1 4.391 0.020 . 1 . . . . 57 SER HA . 25838 1 197 . 1 1 57 57 SER CA C 13 58.328 0.3 . 1 . . . . 57 SER CA . 25838 1 198 . 1 1 57 57 SER CB C 13 63.643 0.3 . 1 . . . . 57 SER CB . 25838 1 199 . 1 1 57 57 SER N N 15 117.161 0.3 . 1 . . . . 57 SER N . 25838 1 200 . 1 1 58 58 GLU H H 1 8.500 0.020 . 1 . . . . 58 GLU H . 25838 1 201 . 1 1 58 58 GLU CA C 13 56.452 0.3 . 1 . . . . 58 GLU CA . 25838 1 202 . 1 1 58 58 GLU CB C 13 30.176 0.3 . 1 . . . . 58 GLU CB . 25838 1 203 . 1 1 58 58 GLU N N 15 122.961 0.3 . 1 . . . . 58 GLU N . 25838 1 204 . 1 1 59 59 SER H H 1 8.336 0.020 . 1 . . . . 59 SER H . 25838 1 205 . 1 1 59 59 SER HA H 1 4.405 0.020 . 1 . . . . 59 SER HA . 25838 1 206 . 1 1 59 59 SER CA C 13 58.209 0.3 . 1 . . . . 59 SER CA . 25838 1 207 . 1 1 59 59 SER CB C 13 63.822 0.3 . 1 . . . . 59 SER CB . 25838 1 208 . 1 1 59 59 SER N N 15 116.460 0.3 . 1 . . . . 59 SER N . 25838 1 209 . 1 1 60 60 GLU H H 1 8.534 0.020 . 1 . . . . 60 GLU H . 25838 1 210 . 1 1 60 60 GLU CA C 13 56.537 0.3 . 1 . . . . 60 GLU CA . 25838 1 211 . 1 1 60 60 GLU CB C 13 30.145 0.3 . 1 . . . . 60 GLU CB . 25838 1 212 . 1 1 60 60 GLU N N 15 122.904 0.3 . 1 . . . . 60 GLU N . 25838 1 213 . 1 1 61 61 GLU H H 1 8.413 0.020 . 1 . . . . 61 GLU H . 25838 1 214 . 1 1 61 61 GLU CA C 13 56.716 0.3 . 1 . . . . 61 GLU CA . 25838 1 215 . 1 1 61 61 GLU CB C 13 30.145 0.3 . 1 . . . . 61 GLU CB . 25838 1 216 . 1 1 61 61 GLU N N 15 121.714 0.3 . 1 . . . . 61 GLU N . 25838 1 217 . 1 1 62 62 GLY H H 1 8.479 0.020 . 1 . . . . 62 GLY H . 25838 1 218 . 1 1 62 62 GLY HA2 H 1 3.961 0.020 . 1 . . . . 62 GLY HA2 . 25838 1 219 . 1 1 62 62 GLY HA3 H 1 3.961 0.020 . 1 . . . . 62 GLY HA3 . 25838 1 220 . 1 1 62 62 GLY CA C 13 45.073 0.3 . 1 . . . . 62 GLY CA . 25838 1 221 . 1 1 62 62 GLY N N 15 110.305 0.3 . 1 . . . . 62 GLY N . 25838 1 222 . 1 1 63 63 SER H H 1 8.256 0.020 . 1 . . . . 63 SER H . 25838 1 223 . 1 1 63 63 SER HA H 1 4.461 0.020 . 1 . . . . 63 SER HA . 25838 1 224 . 1 1 63 63 SER CA C 13 58.089 0.3 . 1 . . . . 63 SER CA . 25838 1 225 . 1 1 63 63 SER CB C 13 63.941 0.3 . 1 . . . . 63 SER CB . 25838 1 226 . 1 1 63 63 SER N N 15 115.453 0.3 . 1 . . . . 63 SER N . 25838 1 227 . 1 1 64 64 ASP H H 1 8.531 0.020 . 1 . . . . 64 ASP H . 25838 1 228 . 1 1 64 64 ASP CA C 13 54.268 0.3 . 1 . . . . 64 ASP CA . 25838 1 229 . 1 1 64 64 ASP CB C 13 41.012 0.3 . 1 . . . . 64 ASP CB . 25838 1 230 . 1 1 64 64 ASP N N 15 122.510 0.3 . 1 . . . . 64 ASP N . 25838 1 231 . 1 1 65 65 ASP H H 1 8.294 0.020 . 1 . . . . 65 ASP H . 25838 1 232 . 1 1 65 65 ASP HA H 1 4.558 0.020 . 1 . . . . 65 ASP HA . 25838 1 233 . 1 1 65 65 ASP CA C 13 54.447 0.3 . 1 . . . . 65 ASP CA . 25838 1 234 . 1 1 65 65 ASP CB C 13 41.072 0.3 . 1 . . . . 65 ASP CB . 25838 1 235 . 1 1 65 65 ASP N N 15 120.531 0.3 . 1 . . . . 65 ASP N . 25838 1 236 . 1 1 66 66 GLU H H 1 8.353 0.020 . 1 . . . . 66 GLU H . 25838 1 237 . 1 1 66 66 GLU CA C 13 56.776 0.3 . 1 . . . . 66 GLU CA . 25838 1 238 . 1 1 66 66 GLU CB C 13 30.205 0.3 . 1 . . . . 66 GLU CB . 25838 1 239 . 1 1 66 66 GLU N N 15 121.002 0.3 . 1 . . . . 66 GLU N . 25838 1 240 . 1 1 67 67 GLU H H 1 8.417 0.020 . 1 . . . . 67 GLU H . 25838 1 241 . 1 1 67 67 GLU CA C 13 56.776 0.3 . 1 . . . . 67 GLU CA . 25838 1 242 . 1 1 67 67 GLU CB C 13 30.145 0.3 . 1 . . . . 67 GLU CB . 25838 1 243 . 1 1 67 67 GLU N N 15 122.155 0.3 . 1 . . . . 67 GLU N . 25838 1 244 . 1 1 68 68 GLU H H 1 8.461 0.020 . 1 . . . . 68 GLU H . 25838 1 245 . 1 1 68 68 GLU CA C 13 56.776 0.3 . 1 . . . . 68 GLU CA . 25838 1 246 . 1 1 68 68 GLU CB C 13 30.085 0.3 . 1 . . . . 68 GLU CB . 25838 1 247 . 1 1 68 68 GLU N N 15 121.848 0.3 . 1 . . . . 68 GLU N . 25838 1 248 . 1 1 69 69 GLU H H 1 8.460 0.020 . 1 . . . . 69 GLU H . 25838 1 249 . 1 1 69 69 GLU CA C 13 56.776 0.3 . 1 . . . . 69 GLU CA . 25838 1 250 . 1 1 69 69 GLU CB C 13 30.085 0.3 . 1 . . . . 69 GLU CB . 25838 1 251 . 1 1 69 69 GLU N N 15 122.069 0.3 . 1 . . . . 69 GLU N . 25838 1 252 . 1 1 70 70 ALA H H 1 8.294 0.020 . 1 . . . . 70 ALA H . 25838 1 253 . 1 1 70 70 ALA CA C 13 52.536 0.3 . 1 . . . . 70 ALA CA . 25838 1 254 . 1 1 70 70 ALA CB C 13 18.800 0.3 . 1 . . . . 70 ALA CB . 25838 1 255 . 1 1 70 70 ALA N N 15 124.890 0.3 . 1 . . . . 70 ALA N . 25838 1 256 . 1 1 71 71 ARG H H 1 8.232 0.020 . 1 . . . . 71 ARG H . 25838 1 257 . 1 1 71 71 ARG HA H 1 4.225 0.020 . 1 . . . . 71 ARG HA . 25838 1 258 . 1 1 71 71 ARG CA C 13 56.298 0.3 . 1 . . . . 71 ARG CA . 25838 1 259 . 1 1 71 71 ARG CB C 13 30.682 0.3 . 1 . . . . 71 ARG CB . 25838 1 260 . 1 1 71 71 ARG N N 15 120.516 0.3 . 1 . . . . 71 ARG N . 25838 1 261 . 1 1 73 73 GLY H H 1 8.442 0.020 . 1 . . . . 73 GLY H . 25838 1 262 . 1 1 73 73 GLY HA2 H 1 3.905 0.020 . 1 . . . . 73 GLY HA2 . 25838 1 263 . 1 1 73 73 GLY HA3 H 1 3.905 0.020 . 1 . . . . 73 GLY HA3 . 25838 1 264 . 1 1 73 73 GLY CA C 13 45.252 0.3 . 1 . . . . 73 GLY CA . 25838 1 265 . 1 1 73 73 GLY N N 15 110.060 0.3 . 1 . . . . 73 GLY N . 25838 1 266 . 1 1 74 74 ALA H H 1 8.099 0.020 . 1 . . . . 74 ALA H . 25838 1 267 . 1 1 74 74 ALA CA C 13 52.596 0.3 . 1 . . . . 74 ALA CA . 25838 1 268 . 1 1 74 74 ALA CB C 13 19.099 0.3 . 1 . . . . 74 ALA CB . 25838 1 269 . 1 1 74 74 ALA N N 15 123.595 0.3 . 1 . . . . 74 ALA N . 25838 1 270 . 1 1 75 75 LEU H H 1 8.175 0.020 . 1 . . . . 75 LEU H . 25838 1 271 . 1 1 75 75 LEU HA H 1 4.058 0.020 . 1 . . . . 75 LEU HA . 25838 1 272 . 1 1 75 75 LEU CA C 13 55.044 0.3 . 1 . . . . 75 LEU CA . 25838 1 273 . 1 1 75 75 LEU CB C 13 42.027 0.3 . 1 . . . . 75 LEU CB . 25838 1 274 . 1 1 75 75 LEU N N 15 120.639 0.3 . 1 . . . . 75 LEU N . 25838 1 275 . 1 1 76 76 ALA H H 1 8.218 0.020 . 1 . . . . 76 ALA H . 25838 1 276 . 1 1 76 76 ALA CA C 13 52.536 0.3 . 1 . . . . 76 ALA CA . 25838 1 277 . 1 1 76 76 ALA CB C 13 18.979 0.3 . 1 . . . . 76 ALA CB . 25838 1 278 . 1 1 76 76 ALA N N 15 124.478 0.3 . 1 . . . . 76 ALA N . 25838 1 279 . 1 1 77 77 SER H H 1 8.215 0.020 . 1 . . . . 77 SER H . 25838 1 280 . 1 1 77 77 SER HA H 1 4.391 0.020 . 1 . . . . 77 SER HA . 25838 1 281 . 1 1 77 77 SER CA C 13 58.328 0.3 . 1 . . . . 77 SER CA . 25838 1 282 . 1 1 77 77 SER CB C 13 63.523 0.3 . 1 . . . . 77 SER CB . 25838 1 283 . 1 1 77 77 SER N N 15 114.354 0.3 . 1 . . . . 77 SER N . 25838 1 284 . 1 1 78 78 SER H H 1 8.341 0.020 . 1 . . . . 78 SER H . 25838 1 285 . 1 1 78 78 SER HA H 1 4.266 0.020 . 1 . . . . 78 SER HA . 25838 1 286 . 1 1 78 78 SER CA C 13 58.328 0.3 . 1 . . . . 78 SER CA . 25838 1 287 . 1 1 78 78 SER CB C 13 63.463 0.3 . 1 . . . . 78 SER CB . 25838 1 288 . 1 1 78 78 SER N N 15 119.687 0.3 . 1 . . . . 78 SER N . 25838 1 289 . 1 1 80 80 THR H H 1 8.095 0.020 . 1 . . . . 80 THR H . 25838 1 290 . 1 1 80 80 THR HA H 1 4.350 0.020 . 1 . . . . 80 THR HA . 25838 1 291 . 1 1 80 80 THR CA C 13 61.792 0.3 . 1 . . . . 80 THR CA . 25838 1 292 . 1 1 80 80 THR CB C 13 69.434 0.3 . 1 . . . . 80 THR CB . 25838 1 293 . 1 1 80 80 THR N N 15 115.421 0.3 . 1 . . . . 80 THR N . 25838 1 294 . 1 1 81 81 SER H H 1 8.260 0.020 . 1 . . . . 81 SER H . 25838 1 295 . 1 1 81 81 SER CA C 13 58.209 0.3 . 1 . . . . 81 SER CA . 25838 1 296 . 1 1 81 81 SER CB C 13 63.583 0.3 . 1 . . . . 81 SER CB . 25838 1 297 . 1 1 81 81 SER N N 15 118.282 0.3 . 1 . . . . 81 SER N . 25838 1 298 . 1 1 82 82 LYS H H 1 8.233 0.020 . 1 . . . . 82 LYS H . 25838 1 299 . 1 1 82 82 LYS CA C 13 54.029 0.3 . 1 . . . . 82 LYS CA . 25838 1 300 . 1 1 82 82 LYS CB C 13 32.474 0.3 . 1 . . . . 82 LYS CB . 25838 1 301 . 1 1 82 82 LYS N N 15 124.171 0.3 . 1 . . . . 82 LYS N . 25838 1 302 . 1 1 84 84 LEU H H 1 7.924 0.020 . 1 . . . . 84 LEU H . 25838 1 303 . 1 1 84 84 LEU HA H 1 4.391 0.020 . 1 . . . . 84 LEU HA . 25838 1 304 . 1 1 84 84 LEU CA C 13 52.357 0.3 . 1 . . . . 84 LEU CA . 25838 1 305 . 1 1 84 84 LEU CB C 13 43.222 0.3 . 1 . . . . 84 LEU CB . 25838 1 306 . 1 1 84 84 LEU N N 15 121.117 0.3 . 1 . . . . 84 LEU N . 25838 1 307 . 1 1 86 86 GLU H H 1 8.480 0.020 . 1 . . . . 86 GLU H . 25838 1 308 . 1 1 86 86 GLU HA H 1 4.225 0.020 . 1 . . . . 86 GLU HA . 25838 1 309 . 1 1 86 86 GLU CA C 13 56.537 0.3 . 1 . . . . 86 GLU CA . 25838 1 310 . 1 1 86 86 GLU CB C 13 30.085 0.3 . 1 . . . . 86 GLU CB . 25838 1 311 . 1 1 86 86 GLU N N 15 120.662 0.3 . 1 . . . . 86 GLU N . 25838 1 312 . 1 1 87 87 VAL H H 1 8.166 0.020 . 1 . . . . 87 VAL H . 25838 1 313 . 1 1 87 87 VAL HA H 1 4.044 0.020 . 1 . . . . 87 VAL HA . 25838 1 314 . 1 1 87 87 VAL CA C 13 62.627 0.3 . 1 . . . . 87 VAL CA . 25838 1 315 . 1 1 87 87 VAL CB C 13 32.414 0.3 . 1 . . . . 87 VAL CB . 25838 1 316 . 1 1 87 87 VAL N N 15 120.724 0.3 . 1 . . . . 87 VAL N . 25838 1 317 . 1 1 88 88 GLY H H 1 8.506 0.020 . 1 . . . . 88 GLY H . 25838 1 318 . 1 1 88 88 GLY HA2 H 1 3.905 0.020 . 1 . . . . 88 GLY HA2 . 25838 1 319 . 1 1 88 88 GLY HA3 H 1 3.905 0.020 . 1 . . . . 88 GLY HA3 . 25838 1 320 . 1 1 88 88 GLY CA C 13 45.192 0.3 . 1 . . . . 88 GLY CA . 25838 1 321 . 1 1 88 88 GLY N N 15 111.859 0.3 . 1 . . . . 88 GLY N . 25838 1 322 . 1 1 89 89 GLN H H 1 8.209 0.020 . 1 . . . . 89 GLN H . 25838 1 323 . 1 1 89 89 GLN HA H 1 4.266 0.020 . 1 . . . . 89 GLN HA . 25838 1 324 . 1 1 89 89 GLN CA C 13 55.641 0.3 . 1 . . . . 89 GLN CA . 25838 1 325 . 1 1 89 89 GLN CB C 13 28.891 0.3 . 1 . . . . 89 GLN CB . 25838 1 326 . 1 1 89 89 GLN N N 15 119.645 0.3 . 1 . . . . 89 GLN N . 25838 1 327 . 1 1 91 91 ARG H H 1 8.456 0.020 . 1 . . . . 91 ARG H . 25838 1 328 . 1 1 91 91 ARG CA C 13 56.836 0.3 . 1 . . . . 91 ARG CA . 25838 1 329 . 1 1 91 91 ARG CB C 13 30.145 0.3 . 1 . . . . 91 ARG CB . 25838 1 330 . 1 1 91 91 ARG N N 15 121.483 0.3 . 1 . . . . 91 ARG N . 25838 1 331 . 1 1 97 97 ARG H H 1 8.502 0.020 . 1 . . . . 97 ARG H . 25838 1 332 . 1 1 97 97 ARG CA C 13 56.119 0.3 . 1 . . . . 97 ARG CA . 25838 1 333 . 1 1 97 97 ARG CB C 13 30.921 0.3 . 1 . . . . 97 ARG CB . 25838 1 334 . 1 1 97 97 ARG N N 15 123.336 0.3 . 1 . . . . 97 ARG N . 25838 1 335 . 1 1 98 98 LYS H H 1 8.431 0.020 . 1 . . . . 98 LYS H . 25838 1 336 . 1 1 98 98 LYS CA C 13 56.059 0.3 . 1 . . . . 98 LYS CA . 25838 1 337 . 1 1 98 98 LYS CB C 13 32.892 0.3 . 1 . . . . 98 LYS CB . 25838 1 338 . 1 1 98 98 LYS N N 15 123.518 0.3 . 1 . . . . 98 LYS N . 25838 1 339 . 1 1 99 99 ARG H H 1 8.348 0.020 . 1 . . . . 99 ARG H . 25838 1 340 . 1 1 99 99 ARG CA C 13 56.000 0.3 . 1 . . . . 99 ARG CA . 25838 1 341 . 1 1 99 99 ARG CB C 13 30.742 0.3 . 1 . . . . 99 ARG CB . 25838 1 342 . 1 1 99 99 ARG N N 15 122.318 0.3 . 1 . . . . 99 ARG N . 25838 1 343 . 1 1 100 100 THR H H 1 8.328 0.020 . 1 . . . . 100 THR H . 25838 1 344 . 1 1 100 100 THR HA H 1 4.308 0.020 . 1 . . . . 100 THR HA . 25838 1 345 . 1 1 100 100 THR CA C 13 61.732 0.3 . 1 . . . . 100 THR CA . 25838 1 346 . 1 1 100 100 THR CB C 13 69.614 0.3 . 1 . . . . 100 THR CB . 25838 1 347 . 1 1 100 100 THR N N 15 116.792 0.3 . 1 . . . . 100 THR N . 25838 1 348 . 1 1 101 101 VAL H H 1 8.261 0.020 . 1 . . . . 101 VAL H . 25838 1 349 . 1 1 101 101 VAL CA C 13 62.030 0.3 . 1 . . . . 101 VAL CA . 25838 1 350 . 1 1 101 101 VAL CB C 13 32.713 0.3 . 1 . . . . 101 VAL CB . 25838 1 351 . 1 1 101 101 VAL N N 15 123.211 0.3 . 1 . . . . 101 VAL N . 25838 1 stop_ save_