data_34123 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34123 _Entry.Title ; Solution structure of Drosophila melanogaster Loquacious dsRBD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-16 _Entry.Accession_date 2017-04-16 _Entry.Last_release_date 2017-10-27 _Entry.Original_release_date 2017-10-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J.N. Tants J. . . . 34123 2 S. Fesser S. . . . 34123 3 T. Kern T. . . . 34123 4 R. Stehle R. . . . 34123 5 A. Geerlof A. . . . 34123 6 C. Wunderlich C. . . . 34123 7 R. Boettcher R. . . . 34123 8 S. Kunzelmann S. . . . 34123 9 O. Lange O. . . . 34123 10 C. Kreutz C. . . . 34123 11 K. Foerstemann K. . . . 34123 12 M. Sattler M. . . . 34123 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA binding protein' . 34123 'RNA interference' . 34123 dsRBD . 34123 siRNA . 34123 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34123 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 142 34123 '15N chemical shifts' 59 34123 '1H chemical shifts' 359 34123 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 2 . . 2018-02-26 2017-04-16 update BMRB 'update entry citation' 34123 1 . . 2017-10-31 2017-04-16 original author 'original release' 34123 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NPA 'BMRB Entry Tracking System' 34123 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34123 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkx886 _Citation.PubMed_ID 29040648 _Citation.Full_citation . _Citation.Title ; Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD / Dcr-2 complex in RNA interference ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 21 _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _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 12536 _Citation.Page_last 12550 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J.N. Tants J. . . . 34123 1 2 S. Fesser S. . . . 34123 1 3 T. Kern T. . . . 34123 1 4 R. Stehle R. . . . 34123 1 5 A. Geerlof A. . . . 34123 1 6 C. Wunderlich C. . . . 34123 1 7 M. Juen M. . . . 34123 1 8 C. Hartlmuller C. . . . 34123 1 9 R. Boettcher R. . . . 34123 1 10 S. Kunzelmann S. . . . 34123 1 11 O. Lange O. . . . 34123 1 12 C. Kreutz C. . . . 34123 1 13 K. Foerstemann K. . . . 34123 1 14 M. Sattler M. . . . 34123 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34123 _Assembly.ID 1 _Assembly.Name Loquacious _Assembly.BMRB_code . _Assembly.Number_of_components . _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 entity_1 1 $entity_1 A A yes . . . . . . 34123 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34123 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DKTVGIGWLQEMCMQRRWPP PSYETETEVGLPHERLFTIA CSILNYREMGKGKSKKIAKR LAAHRMWMRLQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 252-318' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8535.046 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Loquacious na 34123 1 'isoform C' na 34123 1 stop_ 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 . ASP . 34123 1 2 . LYS . 34123 1 3 . THR . 34123 1 4 . VAL . 34123 1 5 . GLY . 34123 1 6 . ILE . 34123 1 7 . GLY . 34123 1 8 . TRP . 34123 1 9 . LEU . 34123 1 10 . GLN . 34123 1 11 . GLU . 34123 1 12 . MET . 34123 1 13 . CYS . 34123 1 14 . MET . 34123 1 15 . GLN . 34123 1 16 . ARG . 34123 1 17 . ARG . 34123 1 18 . TRP . 34123 1 19 . PRO . 34123 1 20 . PRO . 34123 1 21 . PRO . 34123 1 22 . SER . 34123 1 23 . TYR . 34123 1 24 . GLU . 34123 1 25 . THR . 34123 1 26 . GLU . 34123 1 27 . THR . 34123 1 28 . GLU . 34123 1 29 . VAL . 34123 1 30 . GLY . 34123 1 31 . LEU . 34123 1 32 . PRO . 34123 1 33 . HIS . 34123 1 34 . GLU . 34123 1 35 . ARG . 34123 1 36 . LEU . 34123 1 37 . PHE . 34123 1 38 . THR . 34123 1 39 . ILE . 34123 1 40 . ALA . 34123 1 41 . CYS . 34123 1 42 . SER . 34123 1 43 . ILE . 34123 1 44 . LEU . 34123 1 45 . ASN . 34123 1 46 . TYR . 34123 1 47 . ARG . 34123 1 48 . GLU . 34123 1 49 . MET . 34123 1 50 . GLY . 34123 1 51 . LYS . 34123 1 52 . GLY . 34123 1 53 . LYS . 34123 1 54 . SER . 34123 1 55 . LYS . 34123 1 56 . LYS . 34123 1 57 . ILE . 34123 1 58 . ALA . 34123 1 59 . LYS . 34123 1 60 . ARG . 34123 1 61 . LEU . 34123 1 62 . ALA . 34123 1 63 . ALA . 34123 1 64 . HIS . 34123 1 65 . ARG . 34123 1 66 . MET . 34123 1 67 . TRP . 34123 1 68 . MET . 34123 1 69 . ARG . 34123 1 70 . LEU . 34123 1 71 . GLN . 34123 1 72 . GLU . 34123 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 . ASP 1 1 34123 1 . LYS 2 2 34123 1 . THR 3 3 34123 1 . VAL 4 4 34123 1 . GLY 5 5 34123 1 . ILE 6 6 34123 1 . GLY 7 7 34123 1 . TRP 8 8 34123 1 . LEU 9 9 34123 1 . GLN 10 10 34123 1 . GLU 11 11 34123 1 . MET 12 12 34123 1 . CYS 13 13 34123 1 . MET 14 14 34123 1 . GLN 15 15 34123 1 . ARG 16 16 34123 1 . ARG 17 17 34123 1 . TRP 18 18 34123 1 . PRO 19 19 34123 1 . PRO 20 20 34123 1 . PRO 21 21 34123 1 . SER 22 22 34123 1 . TYR 23 23 34123 1 . GLU 24 24 34123 1 . THR 25 25 34123 1 . GLU 26 26 34123 1 . THR 27 27 34123 1 . GLU 28 28 34123 1 . VAL 29 29 34123 1 . GLY 30 30 34123 1 . LEU 31 31 34123 1 . PRO 32 32 34123 1 . HIS 33 33 34123 1 . GLU 34 34 34123 1 . ARG 35 35 34123 1 . LEU 36 36 34123 1 . PHE 37 37 34123 1 . THR 38 38 34123 1 . ILE 39 39 34123 1 . ALA 40 40 34123 1 . CYS 41 41 34123 1 . SER 42 42 34123 1 . ILE 43 43 34123 1 . LEU 44 44 34123 1 . ASN 45 45 34123 1 . TYR 46 46 34123 1 . ARG 47 47 34123 1 . GLU 48 48 34123 1 . MET 49 49 34123 1 . GLY 50 50 34123 1 . LYS 51 51 34123 1 . GLY 52 52 34123 1 . LYS 53 53 34123 1 . SER 54 54 34123 1 . LYS 55 55 34123 1 . LYS 56 56 34123 1 . ILE 57 57 34123 1 . ALA 58 58 34123 1 . LYS 59 59 34123 1 . ARG 60 60 34123 1 . LEU 61 61 34123 1 . ALA 62 62 34123 1 . ALA 63 63 34123 1 . HIS 64 64 34123 1 . ARG 65 65 34123 1 . MET 66 66 34123 1 . TRP 67 67 34123 1 . MET 68 68 34123 1 . ARG 69 69 34123 1 . LEU 70 70 34123 1 . GLN 71 71 34123 1 . GLU 72 72 34123 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 34123 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . ; loqs, Dmel\CG6866, dRax, loq, LOQS, Loqs, R3D1, r3d1, R3D1-L, R3D1-S, TRBP, CG6866, Dmel_CG6866 ; . 34123 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 34123 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34123 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34123 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2 g/L [U-13C; U-15N] dsRBD2, 90% H2O/10% D2O' _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 dsRBD2 '[U-13C; U-15N]' . . 1 $entity_1 . . 2 . . g/L 0.2 . . . 34123 1 2 NaCl 'natural abundance' . . . . . . 500 . . mM . . . . 34123 1 3 PO4 'natural abundance' . . . . . . 20 . . mM . . . . 34123 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 34123 _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' 520 . mM 34123 1 pH 6.5 . pH 34123 1 pressure 101325 . Pa 34123 1 temperature 298 . K 34123 1 stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34123 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34123 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34123 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34123 _Software.ID 3 _Software.Type . _Software.Name CS-Rosetta _Software.Version 'autoNOE Rosetta' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 34123 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34123 3 stop_ save_ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34123 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34123 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34123 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34123 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 34123 _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 NMR_spectrometer_4 Bruker AvanceIII . 900 . . . 34123 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 34123 _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 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 4 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 34123 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34123 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34123 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34123 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34123 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34123 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34123 1 2 '3D HNCA' . . . 34123 1 3 '3D HNCACB' . . . 34123 1 4 '3D HNCACO' . . . 34123 1 5 '3D HNCO' . . . 34123 1 6 '3D HN(COCA)CB' . . . 34123 1 7 '3D 1H-15N NOESY' . . . 34123 1 8 '3D 1H-13C NOESY' . . . 34123 1 9 '3D HCCH-TOCSY' . . . 34123 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP H H 1 8.048 . . . . . . . A 1 ASP H . 34123 1 2 . 1 1 1 1 ASP HA H 1 4.453 . . . . . . . A 1 ASP HA . 34123 1 3 . 1 1 1 1 ASP HB3 H 1 2.583 . . . . . . . A 1 ASP HB3 . 34123 1 4 . 1 1 1 1 ASP N N 15 121.126 . . . . . . . A 1 ASP N . 34123 1 5 . 1 1 2 2 LYS H H 1 8.112 . . . . . . . A 2 LYS H . 34123 1 6 . 1 1 2 2 LYS N N 15 121.358 . . . . . . . A 2 LYS N . 34123 1 7 . 1 1 3 3 THR HA H 1 4.180 . . . . . . . A 3 THR HA . 34123 1 8 . 1 1 3 3 THR HB H 1 4.072 . . . . . . . A 3 THR HB . 34123 1 9 . 1 1 3 3 THR HG21 H 1 0.767 . . . . . . . A 3 THR HG21 . 34123 1 10 . 1 1 3 3 THR HG22 H 1 0.767 . . . . . . . A 3 THR HG22 . 34123 1 11 . 1 1 3 3 THR HG23 H 1 0.767 . . . . . . . A 3 THR HG23 . 34123 1 12 . 1 1 3 3 THR CA C 13 62.264 . . . . . . . A 3 THR CA . 34123 1 13 . 1 1 3 3 THR CB C 13 69.711 . . . . . . . A 3 THR CB . 34123 1 14 . 1 1 3 3 THR CG2 C 13 21.370 . . . . . . . A 3 THR CG2 . 34123 1 15 . 1 1 4 4 VAL H H 1 7.883 . . . . . . . A 4 VAL H . 34123 1 16 . 1 1 4 4 VAL HA H 1 4.068 . . . . . . . A 4 VAL HA . 34123 1 17 . 1 1 4 4 VAL HB H 1 1.923 . . . . . . . A 4 VAL HB . 34123 1 18 . 1 1 4 4 VAL HG21 H 1 0.758 . . . . . . . A 4 VAL HG21 . 34123 1 19 . 1 1 4 4 VAL HG22 H 1 0.758 . . . . . . . A 4 VAL HG22 . 34123 1 20 . 1 1 4 4 VAL HG23 H 1 0.758 . . . . . . . A 4 VAL HG23 . 34123 1 21 . 1 1 4 4 VAL CA C 13 62.110 . . . . . . . A 4 VAL CA . 34123 1 22 . 1 1 4 4 VAL CB C 13 32.527 . . . . . . . A 4 VAL CB . 34123 1 23 . 1 1 4 4 VAL CG2 C 13 20.667 . . . . . . . A 4 VAL CG2 . 34123 1 24 . 1 1 4 4 VAL N N 15 121.721 . . . . . . . A 4 VAL N . 34123 1 25 . 1 1 5 5 GLY HA2 H 1 4.043 . . . . . . . A 5 GLY HA2 . 34123 1 26 . 1 1 5 5 GLY HA3 H 1 3.806 . . . . . . . A 5 GLY HA3 . 34123 1 27 . 1 1 5 5 GLY CA C 13 44.564 . . . . . . . A 5 GLY CA . 34123 1 28 . 1 1 6 6 ILE HA H 1 3.470 . . . . . . . A 8 ILE HA . 34123 1 29 . 1 1 6 6 ILE HB H 1 1.587 . . . . . . . A 8 ILE HB . 34123 1 30 . 1 1 6 6 ILE HG12 H 1 1.380 . . . . . . . A 8 ILE HG12 . 34123 1 31 . 1 1 6 6 ILE HG13 H 1 0.708 . . . . . . . A 8 ILE HG13 . 34123 1 32 . 1 1 6 6 ILE HG21 H 1 0.732 . . . . . . . A 8 ILE HG21 . 34123 1 33 . 1 1 6 6 ILE HG22 H 1 0.732 . . . . . . . A 8 ILE HG22 . 34123 1 34 . 1 1 6 6 ILE HG23 H 1 0.732 . . . . . . . A 8 ILE HG23 . 34123 1 35 . 1 1 6 6 ILE HD11 H 1 0.601 . . . . . . . A 8 ILE HD11 . 34123 1 36 . 1 1 6 6 ILE HD12 H 1 0.601 . . . . . . . A 8 ILE HD12 . 34123 1 37 . 1 1 6 6 ILE HD13 H 1 0.601 . . . . . . . A 8 ILE HD13 . 34123 1 38 . 1 1 6 6 ILE H H 1 7.617 . . . . . . . A 8 ILE H1 . 34123 1 39 . 1 1 6 6 ILE CA C 13 65.550 . . . . . . . A 8 ILE CA . 34123 1 40 . 1 1 6 6 ILE CB C 13 38.010 . . . . . . . A 8 ILE CB . 34123 1 41 . 1 1 6 6 ILE CG1 C 13 30.069 . . . . . . . A 8 ILE CG1 . 34123 1 42 . 1 1 6 6 ILE CG2 C 13 16.674 . . . . . . . A 8 ILE CG2 . 34123 1 43 . 1 1 6 6 ILE CD1 C 13 14.111 . . . . . . . A 8 ILE CD1 . 34123 1 44 . 1 1 6 6 ILE N N 15 117.960 . . . . . . . A 8 ILE N . 34123 1 45 . 1 1 7 7 GLY H H 1 6.999 . . . . . . . A 9 GLY H . 34123 1 46 . 1 1 7 7 GLY HA2 H 1 3.824 . . . . . . . A 9 GLY HA2 . 34123 1 47 . 1 1 7 7 GLY HA3 H 1 3.822 . . . . . . . A 9 GLY HA3 . 34123 1 48 . 1 1 7 7 GLY CA C 13 47.088 . . . . . . . A 9 GLY CA . 34123 1 49 . 1 1 7 7 GLY N N 15 108.269 . . . . . . . A 9 GLY N . 34123 1 50 . 1 1 8 8 TRP H H 1 8.078 . . . . . . . A 10 TRP H . 34123 1 51 . 1 1 8 8 TRP HA H 1 4.423 . . . . . . . A 10 TRP HA . 34123 1 52 . 1 1 8 8 TRP HB3 H 1 2.400 . . . . . . . A 10 TRP HB3 . 34123 1 53 . 1 1 8 8 TRP CA C 13 58.000 . . . . . . . A 10 TRP CA . 34123 1 54 . 1 1 8 8 TRP N N 15 122.796 . . . . . . . A 10 TRP N . 34123 1 55 . 1 1 9 9 LEU H H 1 8.393 . . . . . . . A 11 LEU H . 34123 1 56 . 1 1 9 9 LEU HA H 1 4.278 . . . . . . . A 11 LEU HA . 34123 1 57 . 1 1 9 9 LEU HB2 H 1 2.054 . . . . . . . A 11 LEU HB2 . 34123 1 58 . 1 1 9 9 LEU HB3 H 1 1.552 . . . . . . . A 11 LEU HB3 . 34123 1 59 . 1 1 9 9 LEU HG H 1 1.095 . . . . . . . A 11 LEU HG . 34123 1 60 . 1 1 9 9 LEU CA C 13 57.877 . . . . . . . A 11 LEU CA . 34123 1 61 . 1 1 9 9 LEU CB C 13 42.858 . . . . . . . A 11 LEU CB . 34123 1 62 . 1 1 9 9 LEU N N 15 118.495 . . . . . . . A 11 LEU N . 34123 1 63 . 1 1 10 10 GLN H H 1 7.470 . . . . . . . A 12 GLN H . 34123 1 64 . 1 1 10 10 GLN HA H 1 3.857 . . . . . . . A 12 GLN HA . 34123 1 65 . 1 1 10 10 GLN HB2 H 1 2.344 . . . . . . . A 12 GLN HB2 . 34123 1 66 . 1 1 10 10 GLN HB3 H 1 2.240 . . . . . . . A 12 GLN HB3 . 34123 1 67 . 1 1 10 10 GLN HG2 H 1 2.509 . . . . . . . A 12 GLN HG2 . 34123 1 68 . 1 1 10 10 GLN HG3 H 1 2.433 . . . . . . . A 12 GLN HG3 . 34123 1 69 . 1 1 10 10 GLN CB C 13 28.358 . . . . . . . A 12 GLN CB . 34123 1 70 . 1 1 10 10 GLN CG C 13 33.765 . . . . . . . A 12 GLN CG . 34123 1 71 . 1 1 10 10 GLN N N 15 119.031 . . . . . . . A 12 GLN N . 34123 1 72 . 1 1 11 11 GLU H H 1 8.095 . . . . . . . A 13 GLU H . 34123 1 73 . 1 1 11 11 GLU HA H 1 4.040 . . . . . . . A 13 GLU HA . 34123 1 74 . 1 1 11 11 GLU HB2 H 1 2.084 . . . . . . . A 13 GLU HB2 . 34123 1 75 . 1 1 11 11 GLU HB3 H 1 2.088 . . . . . . . A 13 GLU HB3 . 34123 1 76 . 1 1 11 11 GLU HG2 H 1 2.316 . . . . . . . A 13 GLU HG2 . 34123 1 77 . 1 1 11 11 GLU HG3 H 1 2.239 . . . . . . . A 13 GLU HG3 . 34123 1 78 . 1 1 11 11 GLU CA C 13 59.480 . . . . . . . A 13 GLU CA . 34123 1 79 . 1 1 11 11 GLU CB C 13 29.532 . . . . . . . A 13 GLU CB . 34123 1 80 . 1 1 11 11 GLU CG C 13 36.212 . . . . . . . A 13 GLU CG . 34123 1 81 . 1 1 11 11 GLU N N 15 119.695 . . . . . . . A 13 GLU N . 34123 1 82 . 1 1 12 12 MET H H 1 8.329 . . . . . . . A 14 MET H . 34123 1 83 . 1 1 12 12 MET HA H 1 3.977 . . . . . . . A 14 MET HA . 34123 1 84 . 1 1 12 12 MET HB2 H 1 2.268 . . . . . . . A 14 MET HB2 . 34123 1 85 . 1 1 12 12 MET HB3 H 1 2.232 . . . . . . . A 14 MET HB3 . 34123 1 86 . 1 1 12 12 MET HG2 H 1 2.406 . . . . . . . A 14 MET HG2 . 34123 1 87 . 1 1 12 12 MET HG3 H 1 2.099 . . . . . . . A 14 MET HG3 . 34123 1 88 . 1 1 12 12 MET CA C 13 59.219 . . . . . . . A 14 MET CA . 34123 1 89 . 1 1 12 12 MET CB C 13 33.228 . . . . . . . A 14 MET CB . 34123 1 90 . 1 1 12 12 MET CG C 13 31.576 . . . . . . . A 14 MET CG . 34123 1 91 . 1 1 12 12 MET N N 15 120.729 . . . . . . . A 14 MET N . 34123 1 92 . 1 1 13 13 CYS H H 1 8.315 . . . . . . . A 15 CYS H . 34123 1 93 . 1 1 13 13 CYS HA H 1 4.044 . . . . . . . A 15 CYS HA . 34123 1 94 . 1 1 13 13 CYS HB2 H 1 3.062 . . . . . . . A 15 CYS HB2 . 34123 1 95 . 1 1 13 13 CYS HB3 H 1 2.943 . . . . . . . A 15 CYS HB3 . 34123 1 96 . 1 1 13 13 CYS CA C 13 64.932 . . . . . . . A 15 CYS CA . 34123 1 97 . 1 1 13 13 CYS N N 15 115.866 . . . . . . . A 15 CYS N . 34123 1 98 . 1 1 14 14 MET H H 1 7.575 . . . . . . . A 16 MET H . 34123 1 99 . 1 1 14 14 MET HA H 1 4.200 . . . . . . . A 16 MET HA . 34123 1 100 . 1 1 14 14 MET HB2 H 1 2.188 . . . . . . . A 16 MET HB2 . 34123 1 101 . 1 1 14 14 MET HB3 H 1 2.164 . . . . . . . A 16 MET HB3 . 34123 1 102 . 1 1 14 14 MET HG2 H 1 2.696 . . . . . . . A 16 MET HG2 . 34123 1 103 . 1 1 14 14 MET HG3 H 1 2.577 . . . . . . . A 16 MET HG3 . 34123 1 104 . 1 1 14 14 MET CA C 13 58.745 . . . . . . . A 16 MET CA . 34123 1 105 . 1 1 14 14 MET CB C 13 32.011 . . . . . . . A 16 MET CB . 34123 1 106 . 1 1 14 14 MET CG C 13 32.213 . . . . . . . A 16 MET CG . 34123 1 107 . 1 1 14 14 MET N N 15 118.043 . . . . . . . A 16 MET N . 34123 1 108 . 1 1 15 15 GLN H H 1 8.197 . . . . . . . A 17 GLN H . 34123 1 109 . 1 1 15 15 GLN HA H 1 3.884 . . . . . . . A 17 GLN HA . 34123 1 110 . 1 1 15 15 GLN HB2 H 1 2.076 . . . . . . . A 17 GLN HB2 . 34123 1 111 . 1 1 15 15 GLN HB3 H 1 1.979 . . . . . . . A 17 GLN HB3 . 34123 1 112 . 1 1 15 15 GLN HG2 H 1 2.449 . . . . . . . A 17 GLN HG2 . 34123 1 113 . 1 1 15 15 GLN HG3 H 1 2.319 . . . . . . . A 17 GLN HG3 . 34123 1 114 . 1 1 15 15 GLN CA C 13 58.828 . . . . . . . A 17 GLN CA . 34123 1 115 . 1 1 15 15 GLN CB C 13 28.268 . . . . . . . A 17 GLN CB . 34123 1 116 . 1 1 15 15 GLN CG C 13 33.632 . . . . . . . A 17 GLN CG . 34123 1 117 . 1 1 15 15 GLN N N 15 119.969 . . . . . . . A 17 GLN N . 34123 1 118 . 1 1 16 16 ARG H H 1 7.569 . . . . . . . A 18 ARG H . 34123 1 119 . 1 1 16 16 ARG HA H 1 3.766 . . . . . . . A 18 ARG HA . 34123 1 120 . 1 1 16 16 ARG HB2 H 1 0.436 . . . . . . . A 18 ARG HB2 . 34123 1 121 . 1 1 16 16 ARG HB3 H 1 0.258 . . . . . . . A 18 ARG HB3 . 34123 1 122 . 1 1 16 16 ARG HG2 H 1 1.016 . . . . . . . A 18 ARG HG2 . 34123 1 123 . 1 1 16 16 ARG HG3 H 1 0.795 . . . . . . . A 18 ARG HG3 . 34123 1 124 . 1 1 16 16 ARG HD2 H 1 2.104 . . . . . . . A 18 ARG HD2 . 34123 1 125 . 1 1 16 16 ARG HD3 H 1 1.901 . . . . . . . A 18 ARG HD3 . 34123 1 126 . 1 1 16 16 ARG CA C 13 55.364 . . . . . . . A 18 ARG CA . 34123 1 127 . 1 1 16 16 ARG CB C 13 28.405 . . . . . . . A 18 ARG CB . 34123 1 128 . 1 1 16 16 ARG CG C 13 26.692 . . . . . . . A 18 ARG CG . 34123 1 129 . 1 1 16 16 ARG CD C 13 41.917 . . . . . . . A 18 ARG CD . 34123 1 130 . 1 1 16 16 ARG N N 15 115.784 . . . . . . . A 18 ARG N . 34123 1 131 . 1 1 17 17 ARG H H 1 7.546 . . . . . . . A 19 ARG H . 34123 1 132 . 1 1 17 17 ARG HA H 1 3.872 . . . . . . . A 19 ARG HA . 34123 1 133 . 1 1 17 17 ARG HB2 H 1 2.130 . . . . . . . A 19 ARG HB2 . 34123 1 134 . 1 1 17 17 ARG HB3 H 1 1.930 . . . . . . . A 19 ARG HB3 . 34123 1 135 . 1 1 17 17 ARG HG2 H 1 1.511 . . . . . . . A 19 ARG HG2 . 34123 1 136 . 1 1 17 17 ARG HG3 H 1 1.511 . . . . . . . A 19 ARG HG3 . 34123 1 137 . 1 1 17 17 ARG HD2 H 1 3.161 . . . . . . . A 19 ARG HD2 . 34123 1 138 . 1 1 17 17 ARG HD3 H 1 3.161 . . . . . . . A 19 ARG HD3 . 34123 1 139 . 1 1 17 17 ARG CA C 13 57.307 . . . . . . . A 19 ARG CA . 34123 1 140 . 1 1 17 17 ARG CB C 13 26.002 . . . . . . . A 19 ARG CB . 34123 1 141 . 1 1 17 17 ARG CG C 13 27.582 . . . . . . . A 19 ARG CG . 34123 1 142 . 1 1 17 17 ARG CD C 13 43.411 . . . . . . . A 19 ARG CD . 34123 1 143 . 1 1 17 17 ARG N N 15 114.408 . . . . . . . A 19 ARG N . 34123 1 144 . 1 1 18 18 TRP H H 1 8.636 . . . . . . . A 20 TRP H . 34123 1 145 . 1 1 18 18 TRP HA H 1 5.290 . . . . . . . A 20 TRP HA . 34123 1 146 . 1 1 18 18 TRP HB2 H 1 3.126 . . . . . . . A 20 TRP HB2 . 34123 1 147 . 1 1 18 18 TRP HB3 H 1 2.962 . . . . . . . A 20 TRP HB3 . 34123 1 148 . 1 1 18 18 TRP CA C 13 52.240 . . . . . . . A 20 TRP CA . 34123 1 149 . 1 1 18 18 TRP CB C 13 30.066 . . . . . . . A 20 TRP CB . 34123 1 150 . 1 1 18 18 TRP N N 15 121.490 . . . . . . . A 20 TRP N . 34123 1 151 . 1 1 22 22 SER H H 1 8.222 . . . . . . . A 24 SER H . 34123 1 152 . 1 1 22 22 SER HA H 1 4.766 . . . . . . . A 24 SER HA . 34123 1 153 . 1 1 22 22 SER HB2 H 1 3.694 . . . . . . . A 24 SER HB2 . 34123 1 154 . 1 1 22 22 SER HB3 H 1 3.694 . . . . . . . A 24 SER HB3 . 34123 1 155 . 1 1 22 22 SER CA C 13 56.365 . . . . . . . A 24 SER CA . 34123 1 156 . 1 1 22 22 SER CB C 13 65.013 . . . . . . . A 24 SER CB . 34123 1 157 . 1 1 22 22 SER N N 15 117.124 . . . . . . . A 24 SER N . 34123 1 158 . 1 1 23 23 TYR H H 1 8.661 . . . . . . . A 25 TYR H . 34123 1 159 . 1 1 23 23 TYR HA H 1 5.573 . . . . . . . A 25 TYR HA . 34123 1 160 . 1 1 23 23 TYR HB2 H 1 2.694 . . . . . . . A 25 TYR HB2 . 34123 1 161 . 1 1 23 23 TYR HB3 H 1 2.584 . . . . . . . A 25 TYR HB3 . 34123 1 162 . 1 1 23 23 TYR CA C 13 56.697 . . . . . . . A 25 TYR CA . 34123 1 163 . 1 1 23 23 TYR CB C 13 40.459 . . . . . . . A 25 TYR CB . 34123 1 164 . 1 1 23 23 TYR N N 15 122.962 . . . . . . . A 25 TYR N . 34123 1 165 . 1 1 24 24 GLU H H 1 8.728 . . . . . . . A 26 GLU H . 34123 1 166 . 1 1 24 24 GLU HA H 1 4.689 . . . . . . . A 26 GLU HA . 34123 1 167 . 1 1 24 24 GLU HB2 H 1 1.982 . . . . . . . A 26 GLU HB2 . 34123 1 168 . 1 1 24 24 GLU HB3 H 1 1.823 . . . . . . . A 26 GLU HB3 . 34123 1 169 . 1 1 24 24 GLU HG2 H 1 2.132 . . . . . . . A 26 GLU HG2 . 34123 1 170 . 1 1 24 24 GLU HG3 H 1 2.119 . . . . . . . A 26 GLU HG3 . 34123 1 171 . 1 1 24 24 GLU CB C 13 33.583 . . . . . . . A 26 GLU CB . 34123 1 172 . 1 1 24 24 GLU CG C 13 35.918 . . . . . . . A 26 GLU CG . 34123 1 173 . 1 1 24 24 GLU N N 15 122.317 . . . . . . . A 26 GLU N . 34123 1 174 . 1 1 25 25 THR HA H 1 4.551 . . . . . . . A 27 THR HA . 34123 1 175 . 1 1 25 25 THR HB H 1 4.069 . . . . . . . A 27 THR HB . 34123 1 176 . 1 1 25 25 THR HG21 H 1 1.215 . . . . . . . A 27 THR HG21 . 34123 1 177 . 1 1 25 25 THR HG22 H 1 1.215 . . . . . . . A 27 THR HG22 . 34123 1 178 . 1 1 25 25 THR HG23 H 1 1.215 . . . . . . . A 27 THR HG23 . 34123 1 179 . 1 1 25 25 THR CB C 13 69.030 . . . . . . . A 27 THR CB . 34123 1 180 . 1 1 25 25 THR CG2 C 13 22.258 . . . . . . . A 27 THR CG2 . 34123 1 181 . 1 1 26 26 GLU H H 1 8.745 . . . . . . . A 28 GLU H . 34123 1 182 . 1 1 26 26 GLU HA H 1 4.466 . . . . . . . A 28 GLU HA . 34123 1 183 . 1 1 26 26 GLU HB2 H 1 1.941 . . . . . . . A 28 GLU HB2 . 34123 1 184 . 1 1 26 26 GLU HB3 H 1 1.724 . . . . . . . A 28 GLU HB3 . 34123 1 185 . 1 1 26 26 GLU HG2 H 1 2.115 . . . . . . . A 28 GLU HG2 . 34123 1 186 . 1 1 26 26 GLU HG3 H 1 2.040 . . . . . . . A 28 GLU HG3 . 34123 1 187 . 1 1 26 26 GLU CA C 13 56.568 . . . . . . . A 28 GLU CA . 34123 1 188 . 1 1 26 26 GLU CB C 13 31.527 . . . . . . . A 28 GLU CB . 34123 1 189 . 1 1 26 26 GLU CG C 13 36.076 . . . . . . . A 28 GLU CG . 34123 1 190 . 1 1 26 26 GLU N N 15 128.998 . . . . . . . A 28 GLU N . 34123 1 191 . 1 1 27 27 THR H H 1 8.036 . . . . . . . A 29 THR H . 34123 1 192 . 1 1 27 27 THR HA H 1 4.466 . . . . . . . A 29 THR HA . 34123 1 193 . 1 1 27 27 THR HB H 1 3.971 . . . . . . . A 29 THR HB . 34123 1 194 . 1 1 27 27 THR HG21 H 1 1.035 . . . . . . . A 29 THR HG21 . 34123 1 195 . 1 1 27 27 THR HG22 H 1 1.035 . . . . . . . A 29 THR HG22 . 34123 1 196 . 1 1 27 27 THR HG23 H 1 1.035 . . . . . . . A 29 THR HG23 . 34123 1 197 . 1 1 27 27 THR CG2 C 13 21.745 . . . . . . . A 29 THR CG2 . 34123 1 198 . 1 1 27 27 THR N N 15 113.721 . . . . . . . A 29 THR N . 34123 1 199 . 1 1 28 28 GLU H H 1 8.320 . . . . . . . A 30 GLU H . 34123 1 200 . 1 1 28 28 GLU HB3 H 1 1.748 . . . . . . . A 30 GLU HB3 . 34123 1 201 . 1 1 28 28 GLU HG2 H 1 1.952 . . . . . . . A 30 GLU HG2 . 34123 1 202 . 1 1 28 28 GLU N N 15 124.185 . . . . . . . A 30 GLU N . 34123 1 203 . 1 1 29 29 VAL H H 1 5.058 . . . . . . . A 31 VAL H . 34123 1 204 . 1 1 29 29 VAL HA H 1 4.251 . . . . . . . A 31 VAL HA . 34123 1 205 . 1 1 29 29 VAL HB H 1 1.957 . . . . . . . A 31 VAL HB . 34123 1 206 . 1 1 29 29 VAL HG21 H 1 0.782 . . . . . . . A 31 VAL HG21 . 34123 1 207 . 1 1 29 29 VAL HG22 H 1 0.782 . . . . . . . A 31 VAL HG22 . 34123 1 208 . 1 1 29 29 VAL HG23 H 1 0.782 . . . . . . . A 31 VAL HG23 . 34123 1 209 . 1 1 29 29 VAL CA C 13 61.308 . . . . . . . A 31 VAL CA . 34123 1 210 . 1 1 29 29 VAL CB C 13 34.041 . . . . . . . A 31 VAL CB . 34123 1 211 . 1 1 29 29 VAL CG1 C 13 20.779 . . . . . . . A 31 VAL CG1 . 34123 1 212 . 1 1 29 29 VAL CG2 C 13 20.373 . . . . . . . A 31 VAL CG2 . 34123 1 213 . 1 1 29 29 VAL N N 15 120.486 . . . . . . . A 31 VAL N . 34123 1 214 . 1 1 30 30 GLY H H 1 8.261 . . . . . . . A 32 GLY H . 34123 1 215 . 1 1 30 30 GLY HA2 H 1 4.054 . . . . . . . A 32 GLY HA2 . 34123 1 216 . 1 1 30 30 GLY HA3 H 1 3.809 . . . . . . . A 32 GLY HA3 . 34123 1 217 . 1 1 30 30 GLY CA C 13 44.393 . . . . . . . A 32 GLY CA . 34123 1 218 . 1 1 30 30 GLY N N 15 111.877 . . . . . . . A 32 GLY N . 34123 1 219 . 1 1 31 31 LEU H H 1 8.296 . . . . . . . A 33 LEU H . 34123 1 220 . 1 1 31 31 LEU HA H 1 4.441 . . . . . . . A 33 LEU HA . 34123 1 221 . 1 1 31 31 LEU HB2 H 1 1.482 . . . . . . . A 33 LEU HB2 . 34123 1 222 . 1 1 31 31 LEU HB3 H 1 1.329 . . . . . . . A 33 LEU HB3 . 34123 1 223 . 1 1 31 31 LEU HG H 1 1.616 . . . . . . . A 33 LEU HG . 34123 1 224 . 1 1 31 31 LEU HD11 H 1 0.879 . . . . . . . A 33 LEU HD11 . 34123 1 225 . 1 1 31 31 LEU HD12 H 1 0.879 . . . . . . . A 33 LEU HD12 . 34123 1 226 . 1 1 31 31 LEU HD13 H 1 0.879 . . . . . . . A 33 LEU HD13 . 34123 1 227 . 1 1 31 31 LEU HD21 H 1 0.867 . . . . . . . A 33 LEU HD21 . 34123 1 228 . 1 1 31 31 LEU HD22 H 1 0.867 . . . . . . . A 33 LEU HD22 . 34123 1 229 . 1 1 31 31 LEU HD23 H 1 0.867 . . . . . . . A 33 LEU HD23 . 34123 1 230 . 1 1 31 31 LEU CA C 13 53.578 . . . . . . . A 33 LEU CA . 34123 1 231 . 1 1 31 31 LEU CB C 13 40.862 . . . . . . . A 33 LEU CB . 34123 1 232 . 1 1 31 31 LEU CG C 13 27.453 . . . . . . . A 33 LEU CG . 34123 1 233 . 1 1 31 31 LEU CD1 C 13 25.511 . . . . . . . A 33 LEU CD1 . 34123 1 234 . 1 1 31 31 LEU CD2 C 13 22.655 . . . . . . . A 33 LEU CD2 . 34123 1 235 . 1 1 31 31 LEU N N 15 123.344 . . . . . . . A 33 LEU N . 34123 1 236 . 1 1 34 34 GLU H H 1 7.701 . . . . . . . A 36 GLU H . 34123 1 237 . 1 1 34 34 GLU HA H 1 4.360 . . . . . . . A 36 GLU HA . 34123 1 238 . 1 1 34 34 GLU HG2 H 1 1.731 . . . . . . . A 36 GLU HG2 . 34123 1 239 . 1 1 34 34 GLU HG3 H 1 1.731 . . . . . . . A 36 GLU HG3 . 34123 1 240 . 1 1 34 34 GLU N N 15 121.327 . . . . . . . A 36 GLU N . 34123 1 241 . 1 1 35 35 ARG H H 1 7.782 . . . . . . . A 37 ARG H . 34123 1 242 . 1 1 35 35 ARG HA H 1 4.201 . . . . . . . A 37 ARG HA . 34123 1 243 . 1 1 35 35 ARG HB2 H 1 1.550 . . . . . . . A 37 ARG HB2 . 34123 1 244 . 1 1 35 35 ARG HB3 H 1 1.445 . . . . . . . A 37 ARG HB3 . 34123 1 245 . 1 1 35 35 ARG HG2 H 1 1.259 . . . . . . . A 37 ARG HG2 . 34123 1 246 . 1 1 35 35 ARG HG3 H 1 1.196 . . . . . . . A 37 ARG HG3 . 34123 1 247 . 1 1 35 35 ARG HD2 H 1 2.867 . . . . . . . A 37 ARG HD2 . 34123 1 248 . 1 1 35 35 ARG HD3 H 1 2.867 . . . . . . . A 37 ARG HD3 . 34123 1 249 . 1 1 35 35 ARG CA C 13 55.893 . . . . . . . A 37 ARG CA . 34123 1 250 . 1 1 35 35 ARG CB C 13 30.818 . . . . . . . A 37 ARG CB . 34123 1 251 . 1 1 35 35 ARG CG C 13 26.299 . . . . . . . A 37 ARG CG . 34123 1 252 . 1 1 35 35 ARG CD C 13 43.239 . . . . . . . A 37 ARG CD . 34123 1 253 . 1 1 35 35 ARG N N 15 122.305 . . . . . . . A 37 ARG N . 34123 1 254 . 1 1 36 36 LEU H H 1 8.089 . . . . . . . A 38 LEU H . 34123 1 255 . 1 1 36 36 LEU HA H 1 4.435 . . . . . . . A 38 LEU HA . 34123 1 256 . 1 1 36 36 LEU HB2 H 1 1.288 . . . . . . . A 38 LEU HB2 . 34123 1 257 . 1 1 36 36 LEU HB3 H 1 1.229 . . . . . . . A 38 LEU HB3 . 34123 1 258 . 1 1 36 36 LEU HG H 1 1.358 . . . . . . . A 38 LEU HG . 34123 1 259 . 1 1 36 36 LEU HD11 H 1 0.701 . . . . . . . A 38 LEU HD11 . 34123 1 260 . 1 1 36 36 LEU HD12 H 1 0.701 . . . . . . . A 38 LEU HD12 . 34123 1 261 . 1 1 36 36 LEU HD13 H 1 0.701 . . . . . . . A 38 LEU HD13 . 34123 1 262 . 1 1 36 36 LEU HD21 H 1 0.663 . . . . . . . A 38 LEU HD21 . 34123 1 263 . 1 1 36 36 LEU HD22 H 1 0.663 . . . . . . . A 38 LEU HD22 . 34123 1 264 . 1 1 36 36 LEU HD23 H 1 0.663 . . . . . . . A 38 LEU HD23 . 34123 1 265 . 1 1 36 36 LEU CA C 13 53.735 . . . . . . . A 38 LEU CA . 34123 1 266 . 1 1 36 36 LEU CB C 13 44.773 . . . . . . . A 38 LEU CB . 34123 1 267 . 1 1 36 36 LEU CG C 13 26.901 . . . . . . . A 38 LEU CG . 34123 1 268 . 1 1 36 36 LEU CD1 C 13 24.825 . . . . . . . A 38 LEU CD1 . 34123 1 269 . 1 1 36 36 LEU CD2 C 13 24.184 . . . . . . . A 38 LEU CD2 . 34123 1 270 . 1 1 36 36 LEU N N 15 122.225 . . . . . . . A 38 LEU N . 34123 1 271 . 1 1 37 37 PHE H H 1 8.808 . . . . . . . A 39 PHE H . 34123 1 272 . 1 1 37 37 PHE HA H 1 4.718 . . . . . . . A 39 PHE HA . 34123 1 273 . 1 1 37 37 PHE HB2 H 1 2.623 . . . . . . . A 39 PHE HB2 . 34123 1 274 . 1 1 37 37 PHE HB3 H 1 2.571 . . . . . . . A 39 PHE HB3 . 34123 1 275 . 1 1 37 37 PHE CB C 13 41.497 . . . . . . . A 39 PHE CB . 34123 1 276 . 1 1 37 37 PHE N N 15 122.366 . . . . . . . A 39 PHE N . 34123 1 277 . 1 1 38 38 THR H H 1 8.710 . . . . . . . A 40 THR H . 34123 1 278 . 1 1 38 38 THR HA H 1 5.214 . . . . . . . A 40 THR HA . 34123 1 279 . 1 1 38 38 THR HB H 1 3.966 . . . . . . . A 40 THR HB . 34123 1 280 . 1 1 38 38 THR HG21 H 1 1.048 . . . . . . . A 40 THR HG21 . 34123 1 281 . 1 1 38 38 THR HG22 H 1 1.048 . . . . . . . A 40 THR HG22 . 34123 1 282 . 1 1 38 38 THR HG23 H 1 1.048 . . . . . . . A 40 THR HG23 . 34123 1 283 . 1 1 38 38 THR CA C 13 61.640 . . . . . . . A 40 THR CA . 34123 1 284 . 1 1 38 38 THR CB C 13 70.206 . . . . . . . A 40 THR CB . 34123 1 285 . 1 1 38 38 THR CG2 C 13 21.764 . . . . . . . A 40 THR CG2 . 34123 1 286 . 1 1 38 38 THR N N 15 116.977 . . . . . . . A 40 THR N . 34123 1 287 . 1 1 39 39 ILE H H 1 9.088 . . . . . . . A 41 ILE H . 34123 1 288 . 1 1 39 39 ILE HA H 1 4.932 . . . . . . . A 41 ILE HA . 34123 1 289 . 1 1 39 39 ILE HB H 1 1.478 . . . . . . . A 41 ILE HB . 34123 1 290 . 1 1 39 39 ILE HG12 H 1 1.374 . . . . . . . A 41 ILE HG12 . 34123 1 291 . 1 1 39 39 ILE HG13 H 1 1.330 . . . . . . . A 41 ILE HG13 . 34123 1 292 . 1 1 39 39 ILE HG21 H 1 0.847 . . . . . . . A 41 ILE HG21 . 34123 1 293 . 1 1 39 39 ILE HG22 H 1 0.847 . . . . . . . A 41 ILE HG22 . 34123 1 294 . 1 1 39 39 ILE HG23 H 1 0.847 . . . . . . . A 41 ILE HG23 . 34123 1 295 . 1 1 39 39 ILE HD11 H 1 0.779 . . . . . . . A 41 ILE HD11 . 34123 1 296 . 1 1 39 39 ILE HD12 H 1 0.779 . . . . . . . A 41 ILE HD12 . 34123 1 297 . 1 1 39 39 ILE HD13 H 1 0.779 . . . . . . . A 41 ILE HD13 . 34123 1 298 . 1 1 39 39 ILE CA C 13 58.257 . . . . . . . A 41 ILE CA . 34123 1 299 . 1 1 39 39 ILE CB C 13 40.523 . . . . . . . A 41 ILE CB . 34123 1 300 . 1 1 39 39 ILE CG1 C 13 28.353 . . . . . . . A 41 ILE CG1 . 34123 1 301 . 1 1 39 39 ILE CG2 C 13 17.866 . . . . . . . A 41 ILE CG2 . 34123 1 302 . 1 1 39 39 ILE CD1 C 13 12.808 . . . . . . . A 41 ILE CD1 . 34123 1 303 . 1 1 40 40 ALA H H 1 9.038 . . . . . . . A 42 ALA H . 34123 1 304 . 1 1 40 40 ALA HA H 1 5.209 . . . . . . . A 42 ALA HA . 34123 1 305 . 1 1 40 40 ALA HB1 H 1 1.174 . . . . . . . A 42 ALA HB1 . 34123 1 306 . 1 1 40 40 ALA HB2 H 1 1.174 . . . . . . . A 42 ALA HB2 . 34123 1 307 . 1 1 40 40 ALA HB3 H 1 1.174 . . . . . . . A 42 ALA HB3 . 34123 1 308 . 1 1 40 40 ALA CA C 13 49.909 . . . . . . . A 42 ALA CA . 34123 1 309 . 1 1 40 40 ALA CB C 13 21.495 . . . . . . . A 42 ALA CB . 34123 1 310 . 1 1 41 41 CYS H H 1 9.368 . . . . . . . A 43 CYS H . 34123 1 311 . 1 1 41 41 CYS HA H 1 4.676 . . . . . . . A 43 CYS HA . 34123 1 312 . 1 1 41 41 CYS HB2 H 1 2.542 . . . . . . . A 43 CYS HB2 . 34123 1 313 . 1 1 41 41 CYS HB3 H 1 2.359 . . . . . . . A 43 CYS HB3 . 34123 1 314 . 1 1 41 41 CYS CB C 13 29.457 . . . . . . . A 43 CYS CB . 34123 1 315 . 1 1 41 41 CYS N N 15 124.677 . . . . . . . A 43 CYS N . 34123 1 316 . 1 1 42 42 SER H H 1 8.812 . . . . . . . A 44 SER H . 34123 1 317 . 1 1 42 42 SER HA H 1 5.339 . . . . . . . A 44 SER HA . 34123 1 318 . 1 1 42 42 SER HB2 H 1 3.616 . . . . . . . A 44 SER HB2 . 34123 1 319 . 1 1 42 42 SER HB3 H 1 3.521 . . . . . . . A 44 SER HB3 . 34123 1 320 . 1 1 42 42 SER CA C 13 57.418 . . . . . . . A 44 SER CA . 34123 1 321 . 1 1 42 42 SER CB C 13 65.311 . . . . . . . A 44 SER CB . 34123 1 322 . 1 1 42 42 SER N N 15 123.901 . . . . . . . A 44 SER N . 34123 1 323 . 1 1 43 43 ILE H H 1 7.877 . . . . . . . A 45 ILE H . 34123 1 324 . 1 1 43 43 ILE HA H 1 4.054 . . . . . . . A 45 ILE HA . 34123 1 325 . 1 1 43 43 ILE HB H 1 1.651 . . . . . . . A 45 ILE HB . 34123 1 326 . 1 1 43 43 ILE HG12 H 1 1.501 . . . . . . . A 45 ILE HG12 . 34123 1 327 . 1 1 43 43 ILE HG13 H 1 1.502 . . . . . . . A 45 ILE HG13 . 34123 1 328 . 1 1 43 43 ILE HG21 H 1 0.772 . . . . . . . A 45 ILE HG21 . 34123 1 329 . 1 1 43 43 ILE HG22 H 1 0.772 . . . . . . . A 45 ILE HG22 . 34123 1 330 . 1 1 43 43 ILE HG23 H 1 0.772 . . . . . . . A 45 ILE HG23 . 34123 1 331 . 1 1 43 43 ILE HD11 H 1 0.884 . . . . . . . A 45 ILE HD11 . 34123 1 332 . 1 1 43 43 ILE HD12 H 1 0.884 . . . . . . . A 45 ILE HD12 . 34123 1 333 . 1 1 43 43 ILE HD13 H 1 0.884 . . . . . . . A 45 ILE HD13 . 34123 1 334 . 1 1 43 43 ILE CA C 13 60.941 . . . . . . . A 45 ILE CA . 34123 1 335 . 1 1 43 43 ILE CB C 13 43.042 . . . . . . . A 45 ILE CB . 34123 1 336 . 1 1 43 43 ILE CG2 C 13 17.766 . . . . . . . A 45 ILE CG2 . 34123 1 337 . 1 1 43 43 ILE CD1 C 13 16.308 . . . . . . . A 45 ILE CD1 . 34123 1 338 . 1 1 43 43 ILE N N 15 125.465 . . . . . . . A 45 ILE N . 34123 1 339 . 1 1 44 44 LEU H H 1 8.812 . . . . . . . A 46 LEU H . 34123 1 340 . 1 1 44 44 LEU HA H 1 3.519 . . . . . . . A 46 LEU HA . 34123 1 341 . 1 1 44 44 LEU HB2 H 1 1.502 . . . . . . . A 46 LEU HB2 . 34123 1 342 . 1 1 44 44 LEU HB3 H 1 0.990 . . . . . . . A 46 LEU HB3 . 34123 1 343 . 1 1 44 44 LEU HG H 1 0.953 . . . . . . . A 46 LEU HG . 34123 1 344 . 1 1 44 44 LEU HD11 H 1 -0.257 . . . . . . . A 46 LEU HD11 . 34123 1 345 . 1 1 44 44 LEU HD12 H 1 -0.257 . . . . . . . A 46 LEU HD12 . 34123 1 346 . 1 1 44 44 LEU HD13 H 1 -0.257 . . . . . . . A 46 LEU HD13 . 34123 1 347 . 1 1 44 44 LEU HD21 H 1 0.431 . . . . . . . A 46 LEU HD21 . 34123 1 348 . 1 1 44 44 LEU HD22 H 1 0.431 . . . . . . . A 46 LEU HD22 . 34123 1 349 . 1 1 44 44 LEU HD23 H 1 0.431 . . . . . . . A 46 LEU HD23 . 34123 1 350 . 1 1 44 44 LEU CA C 13 56.480 . . . . . . . A 46 LEU CA . 34123 1 351 . 1 1 44 44 LEU CB C 13 38.769 . . . . . . . A 46 LEU CB . 34123 1 352 . 1 1 44 44 LEU CG C 13 26.950 . . . . . . . A 46 LEU CG . 34123 1 353 . 1 1 44 44 LEU CD1 C 13 24.052 . . . . . . . A 46 LEU CD1 . 34123 1 354 . 1 1 44 44 LEU CD2 C 13 22.233 . . . . . . . A 46 LEU CD2 . 34123 1 355 . 1 1 44 44 LEU N N 15 123.895 . . . . . . . A 46 LEU N . 34123 1 356 . 1 1 45 45 ASN H H 1 7.825 . . . . . . . A 47 ASN H . 34123 1 357 . 1 1 45 45 ASN HA H 1 4.619 . . . . . . . A 47 ASN HA . 34123 1 358 . 1 1 45 45 ASN HB2 H 1 2.531 . . . . . . . A 47 ASN HB2 . 34123 1 359 . 1 1 45 45 ASN HB3 H 1 2.516 . . . . . . . A 47 ASN HB3 . 34123 1 360 . 1 1 45 45 ASN CB C 13 37.439 . . . . . . . A 47 ASN CB . 34123 1 361 . 1 1 45 45 ASN N N 15 118.800 . . . . . . . A 47 ASN N . 34123 1 362 . 1 1 46 46 TYR H H 1 8.781 . . . . . . . A 48 TYR H . 34123 1 363 . 1 1 46 46 TYR HA H 1 4.614 . . . . . . . A 48 TYR HA . 34123 1 364 . 1 1 46 46 TYR HB2 H 1 3.089 . . . . . . . A 48 TYR HB2 . 34123 1 365 . 1 1 46 46 TYR HB3 H 1 2.741 . . . . . . . A 48 TYR HB3 . 34123 1 366 . 1 1 46 46 TYR CB C 13 39.627 . . . . . . . A 48 TYR CB . 34123 1 367 . 1 1 46 46 TYR N N 15 122.038 . . . . . . . A 48 TYR N . 34123 1 368 . 1 1 47 47 ARG H H 1 8.609 . . . . . . . A 49 ARG H . 34123 1 369 . 1 1 47 47 ARG HA H 1 5.229 . . . . . . . A 49 ARG HA . 34123 1 370 . 1 1 47 47 ARG HB2 H 1 1.531 . . . . . . . A 49 ARG HB2 . 34123 1 371 . 1 1 47 47 ARG HB3 H 1 1.473 . . . . . . . A 49 ARG HB3 . 34123 1 372 . 1 1 47 47 ARG HG2 H 1 1.321 . . . . . . . A 49 ARG HG2 . 34123 1 373 . 1 1 47 47 ARG HG3 H 1 1.175 . . . . . . . A 49 ARG HG3 . 34123 1 374 . 1 1 47 47 ARG HD2 H 1 2.963 . . . . . . . A 49 ARG HD2 . 34123 1 375 . 1 1 47 47 ARG HD3 H 1 2.963 . . . . . . . A 49 ARG HD3 . 34123 1 376 . 1 1 47 47 ARG CA C 13 55.826 . . . . . . . A 49 ARG CA . 34123 1 377 . 1 1 47 47 ARG CB C 13 33.496 . . . . . . . A 49 ARG CB . 34123 1 378 . 1 1 47 47 ARG CG C 13 27.760 . . . . . . . A 49 ARG CG . 34123 1 379 . 1 1 47 47 ARG CD C 13 43.460 . . . . . . . A 49 ARG CD . 34123 1 380 . 1 1 47 47 ARG N N 15 125.668 . . . . . . . A 49 ARG N . 34123 1 381 . 1 1 48 48 GLU H H 1 8.728 . . . . . . . A 50 GLU H . 34123 1 382 . 1 1 48 48 GLU HB3 H 1 1.810 . . . . . . . A 50 GLU HB3 . 34123 1 383 . 1 1 48 48 GLU N N 15 123.953 . . . . . . . A 50 GLU N . 34123 1 384 . 1 1 49 49 MET H H 1 8.947 . . . . . . . A 51 MET H . 34123 1 385 . 1 1 49 49 MET HA H 1 5.567 . . . . . . . A 51 MET HA . 34123 1 386 . 1 1 49 49 MET HB2 H 1 1.912 . . . . . . . A 51 MET HB2 . 34123 1 387 . 1 1 49 49 MET HB3 H 1 1.795 . . . . . . . A 51 MET HB3 . 34123 1 388 . 1 1 49 49 MET HG2 H 1 2.422 . . . . . . . A 51 MET HG2 . 34123 1 389 . 1 1 49 49 MET HG3 H 1 2.387 . . . . . . . A 51 MET HG3 . 34123 1 390 . 1 1 49 49 MET CA C 13 54.101 . . . . . . . A 51 MET CA . 34123 1 391 . 1 1 49 49 MET CB C 13 35.290 . . . . . . . A 51 MET CB . 34123 1 392 . 1 1 49 49 MET CG C 13 32.154 . . . . . . . A 51 MET CG . 34123 1 393 . 1 1 49 49 MET N N 15 119.231 . . . . . . . A 51 MET N . 34123 1 394 . 1 1 50 50 GLY H H 1 9.024 . . . . . . . A 52 GLY H . 34123 1 395 . 1 1 50 50 GLY HA2 H 1 4.433 . . . . . . . A 52 GLY HA2 . 34123 1 396 . 1 1 50 50 GLY HA3 H 1 3.914 . . . . . . . A 52 GLY HA3 . 34123 1 397 . 1 1 50 50 GLY CA C 13 44.325 . . . . . . . A 52 GLY CA . 34123 1 398 . 1 1 50 50 GLY N N 15 107.924 . . . . . . . A 52 GLY N . 34123 1 399 . 1 1 51 51 LYS H H 1 7.788 . . . . . . . A 53 LYS H . 34123 1 400 . 1 1 51 51 LYS HA H 1 5.949 . . . . . . . A 53 LYS HA . 34123 1 401 . 1 1 51 51 LYS HB2 H 1 1.625 . . . . . . . A 53 LYS HB2 . 34123 1 402 . 1 1 51 51 LYS HB3 H 1 1.625 . . . . . . . A 53 LYS HB3 . 34123 1 403 . 1 1 51 51 LYS HG2 H 1 1.438 . . . . . . . A 53 LYS HG2 . 34123 1 404 . 1 1 51 51 LYS HG3 H 1 1.292 . . . . . . . A 53 LYS HG3 . 34123 1 405 . 1 1 51 51 LYS HD2 H 1 1.526 . . . . . . . A 53 LYS HD2 . 34123 1 406 . 1 1 51 51 LYS HD3 H 1 1.526 . . . . . . . A 53 LYS HD3 . 34123 1 407 . 1 1 51 51 LYS HE2 H 1 2.812 . . . . . . . A 53 LYS HE2 . 34123 1 408 . 1 1 51 51 LYS HE3 H 1 2.812 . . . . . . . A 53 LYS HE3 . 34123 1 409 . 1 1 51 51 LYS CA C 13 54.142 . . . . . . . A 53 LYS CA . 34123 1 410 . 1 1 51 51 LYS CB C 13 36.562 . . . . . . . A 53 LYS CB . 34123 1 411 . 1 1 51 51 LYS CG C 13 24.868 . . . . . . . A 53 LYS CG . 34123 1 412 . 1 1 51 51 LYS CD C 13 29.504 . . . . . . . A 53 LYS CD . 34123 1 413 . 1 1 51 51 LYS CE C 13 42.139 . . . . . . . A 53 LYS CE . 34123 1 414 . 1 1 51 51 LYS N N 15 121.047 . . . . . . . A 53 LYS N . 34123 1 415 . 1 1 52 52 GLY H H 1 8.618 . . . . . . . A 54 GLY H . 34123 1 416 . 1 1 52 52 GLY HA2 H 1 4.352 . . . . . . . A 54 GLY HA2 . 34123 1 417 . 1 1 52 52 GLY HA3 H 1 3.956 . . . . . . . A 54 GLY HA3 . 34123 1 418 . 1 1 52 52 GLY CA C 13 45.537 . . . . . . . A 54 GLY CA . 34123 1 419 . 1 1 52 52 GLY N N 15 105.602 . . . . . . . A 54 GLY N . 34123 1 420 . 1 1 54 54 SER H H 1 7.463 . . . . . . . A 56 SER H . 34123 1 421 . 1 1 54 54 SER HA H 1 4.652 . . . . . . . A 56 SER HA . 34123 1 422 . 1 1 54 54 SER HB2 H 1 4.080 . . . . . . . A 56 SER HB2 . 34123 1 423 . 1 1 54 54 SER CB C 13 66.772 . . . . . . . A 56 SER CB . 34123 1 424 . 1 1 54 54 SER N N 15 111.415 . . . . . . . A 56 SER N . 34123 1 425 . 1 1 57 57 ILE H H 1 7.428 . . . . . . . A 59 ILE H . 34123 1 426 . 1 1 57 57 ILE HA H 1 3.559 . . . . . . . A 59 ILE HA . 34123 1 427 . 1 1 57 57 ILE HB H 1 1.558 . . . . . . . A 59 ILE HB . 34123 1 428 . 1 1 57 57 ILE HG13 H 1 1.025 . . . . . . . A 59 ILE HG13 . 34123 1 429 . 1 1 57 57 ILE N N 15 119.760 . . . . . . . A 59 ILE N . 34123 1 430 . 1 1 58 58 ALA H H 1 7.732 . . . . . . . A 60 ALA H . 34123 1 431 . 1 1 58 58 ALA HA H 1 3.625 . . . . . . . A 60 ALA HA . 34123 1 432 . 1 1 58 58 ALA HB1 H 1 1.304 . . . . . . . A 60 ALA HB1 . 34123 1 433 . 1 1 58 58 ALA HB2 H 1 1.304 . . . . . . . A 60 ALA HB2 . 34123 1 434 . 1 1 58 58 ALA HB3 H 1 1.304 . . . . . . . A 60 ALA HB3 . 34123 1 435 . 1 1 58 58 ALA CA C 13 55.700 . . . . . . . A 60 ALA CA . 34123 1 436 . 1 1 58 58 ALA CB C 13 18.498 . . . . . . . A 60 ALA CB . 34123 1 437 . 1 1 58 58 ALA N N 15 121.508 . . . . . . . A 60 ALA N . 34123 1 438 . 1 1 59 59 LYS H H 1 8.332 . . . . . . . A 61 LYS H . 34123 1 439 . 1 1 59 59 LYS HA H 1 3.620 . . . . . . . A 61 LYS HA . 34123 1 440 . 1 1 59 59 LYS HB2 H 1 1.591 . . . . . . . A 61 LYS HB2 . 34123 1 441 . 1 1 59 59 LYS HB3 H 1 1.591 . . . . . . . A 61 LYS HB3 . 34123 1 442 . 1 1 59 59 LYS HG2 H 1 0.787 . . . . . . . A 61 LYS HG2 . 34123 1 443 . 1 1 59 59 LYS HG3 H 1 0.787 . . . . . . . A 61 LYS HG3 . 34123 1 444 . 1 1 59 59 LYS N N 15 117.190 . . . . . . . A 61 LYS N . 34123 1 445 . 1 1 60 60 ARG H H 1 7.490 . . . . . . . A 62 ARG H . 34123 1 446 . 1 1 60 60 ARG HA H 1 3.668 . . . . . . . A 62 ARG HA . 34123 1 447 . 1 1 60 60 ARG HG2 H 1 1.584 . . . . . . . A 62 ARG HG2 . 34123 1 448 . 1 1 60 60 ARG HG3 H 1 1.584 . . . . . . . A 62 ARG HG3 . 34123 1 449 . 1 1 60 60 ARG HD2 H 1 3.058 . . . . . . . A 62 ARG HD2 . 34123 1 450 . 1 1 60 60 ARG HD3 H 1 3.058 . . . . . . . A 62 ARG HD3 . 34123 1 451 . 1 1 60 60 ARG N N 15 117.792 . . . . . . . A 62 ARG N . 34123 1 452 . 1 1 61 61 LEU H H 1 8.063 . . . . . . . A 63 LEU H . 34123 1 453 . 1 1 61 61 LEU HA H 1 4.227 . . . . . . . A 63 LEU HA . 34123 1 454 . 1 1 61 61 LEU HB2 H 1 1.792 . . . . . . . A 63 LEU HB2 . 34123 1 455 . 1 1 61 61 LEU HB3 H 1 1.679 . . . . . . . A 63 LEU HB3 . 34123 1 456 . 1 1 61 61 LEU HG H 1 1.789 . . . . . . . A 63 LEU HG . 34123 1 457 . 1 1 61 61 LEU HD11 H 1 4.534 . . . . . . . A 63 LEU HD11 . 34123 1 458 . 1 1 61 61 LEU HD12 H 1 4.534 . . . . . . . A 63 LEU HD12 . 34123 1 459 . 1 1 61 61 LEU HD13 H 1 4.534 . . . . . . . A 63 LEU HD13 . 34123 1 460 . 1 1 61 61 LEU HD21 H 1 0.984 . . . . . . . A 63 LEU HD21 . 34123 1 461 . 1 1 61 61 LEU HD22 H 1 0.984 . . . . . . . A 63 LEU HD22 . 34123 1 462 . 1 1 61 61 LEU HD23 H 1 0.984 . . . . . . . A 63 LEU HD23 . 34123 1 463 . 1 1 61 61 LEU CA C 13 57.888 . . . . . . . A 63 LEU CA . 34123 1 464 . 1 1 61 61 LEU CB C 13 41.727 . . . . . . . A 63 LEU CB . 34123 1 465 . 1 1 61 61 LEU CD1 C 13 25.095 . . . . . . . A 63 LEU CD1 . 34123 1 466 . 1 1 61 61 LEU N N 15 119.315 . . . . . . . A 63 LEU N . 34123 1 467 . 1 1 62 62 ALA H H 1 8.291 . . . . . . . A 64 ALA H . 34123 1 468 . 1 1 62 62 ALA HA H 1 3.762 . . . . . . . A 64 ALA HA . 34123 1 469 . 1 1 62 62 ALA HB1 H 1 1.538 . . . . . . . A 64 ALA HB1 . 34123 1 470 . 1 1 62 62 ALA HB2 H 1 1.538 . . . . . . . A 64 ALA HB2 . 34123 1 471 . 1 1 62 62 ALA HB3 H 1 1.538 . . . . . . . A 64 ALA HB3 . 34123 1 472 . 1 1 62 62 ALA CA C 13 55.773 . . . . . . . A 64 ALA CA . 34123 1 473 . 1 1 62 62 ALA CB C 13 18.691 . . . . . . . A 64 ALA CB . 34123 1 474 . 1 1 62 62 ALA N N 15 123.947 . . . . . . . A 64 ALA N . 34123 1 475 . 1 1 63 63 ALA H H 1 8.387 . . . . . . . A 65 ALA H . 34123 1 476 . 1 1 63 63 ALA HA H 1 4.212 . . . . . . . A 65 ALA HA . 34123 1 477 . 1 1 63 63 ALA HB1 H 1 1.328 . . . . . . . A 65 ALA HB1 . 34123 1 478 . 1 1 63 63 ALA HB2 H 1 1.328 . . . . . . . A 65 ALA HB2 . 34123 1 479 . 1 1 63 63 ALA HB3 H 1 1.328 . . . . . . . A 65 ALA HB3 . 34123 1 480 . 1 1 63 63 ALA CA C 13 53.257 . . . . . . . A 65 ALA CA . 34123 1 481 . 1 1 63 63 ALA CB C 13 19.248 . . . . . . . A 65 ALA CB . 34123 1 482 . 1 1 63 63 ALA N N 15 118.066 . . . . . . . A 65 ALA N . 34123 1 483 . 1 1 64 64 HIS H H 1 8.850 . . . . . . . A 66 HIS H . 34123 1 484 . 1 1 64 64 HIS HA H 1 4.207 . . . . . . . A 66 HIS HA . 34123 1 485 . 1 1 64 64 HIS HB2 H 1 3.393 . . . . . . . A 66 HIS HB2 . 34123 1 486 . 1 1 64 64 HIS HB3 H 1 3.205 . . . . . . . A 66 HIS HB3 . 34123 1 487 . 1 1 64 64 HIS CA C 13 60.888 . . . . . . . A 66 HIS CA . 34123 1 488 . 1 1 64 64 HIS CB C 13 31.525 . . . . . . . A 66 HIS CB . 34123 1 489 . 1 1 64 64 HIS N N 15 119.266 . . . . . . . A 66 HIS N . 34123 1 490 . 1 1 65 65 ARG H H 1 8.421 . . . . . . . A 67 ARG H . 34123 1 491 . 1 1 65 65 ARG HA H 1 3.694 . . . . . . . A 67 ARG HA . 34123 1 492 . 1 1 65 65 ARG HB2 H 1 1.829 . . . . . . . A 67 ARG HB2 . 34123 1 493 . 1 1 65 65 ARG HB3 H 1 1.829 . . . . . . . A 67 ARG HB3 . 34123 1 494 . 1 1 65 65 ARG HG2 H 1 1.543 . . . . . . . A 67 ARG HG2 . 34123 1 495 . 1 1 65 65 ARG HG3 H 1 1.543 . . . . . . . A 67 ARG HG3 . 34123 1 496 . 1 1 65 65 ARG HD2 H 1 3.072 . . . . . . . A 67 ARG HD2 . 34123 1 497 . 1 1 65 65 ARG HD3 H 1 3.034 . . . . . . . A 67 ARG HD3 . 34123 1 498 . 1 1 65 65 ARG CA C 13 60.007 . . . . . . . A 67 ARG CA . 34123 1 499 . 1 1 65 65 ARG CB C 13 29.872 . . . . . . . A 67 ARG CB . 34123 1 500 . 1 1 65 65 ARG CG C 13 27.931 . . . . . . . A 67 ARG CG . 34123 1 501 . 1 1 65 65 ARG CD C 13 43.644 . . . . . . . A 67 ARG CD . 34123 1 502 . 1 1 65 65 ARG N N 15 118.120 . . . . . . . A 67 ARG N . 34123 1 503 . 1 1 66 66 MET H H 1 8.339 . . . . . . . A 68 MET H . 34123 1 504 . 1 1 66 66 MET N N 15 120.163 . . . . . . . A 68 MET N . 34123 1 505 . 1 1 67 67 TRP H H 1 9.254 . . . . . . . A 69 TRP H . 34123 1 506 . 1 1 67 67 TRP HA H 1 4.106 . . . . . . . A 69 TRP HA . 34123 1 507 . 1 1 67 67 TRP HB2 H 1 3.647 . . . . . . . A 69 TRP HB2 . 34123 1 508 . 1 1 67 67 TRP HB3 H 1 3.286 . . . . . . . A 69 TRP HB3 . 34123 1 509 . 1 1 67 67 TRP CA C 13 61.431 . . . . . . . A 69 TRP CA . 34123 1 510 . 1 1 67 67 TRP CB C 13 28.978 . . . . . . . A 69 TRP CB . 34123 1 511 . 1 1 67 67 TRP N N 15 121.741 . . . . . . . A 69 TRP N . 34123 1 512 . 1 1 68 68 MET H H 1 8.378 . . . . . . . A 70 MET H . 34123 1 513 . 1 1 68 68 MET HA H 1 3.732 . . . . . . . A 70 MET HA . 34123 1 514 . 1 1 68 68 MET HG3 H 1 2.398 . . . . . . . A 70 MET HG3 . 34123 1 515 . 1 1 68 68 MET N N 15 115.649 . . . . . . . A 70 MET N . 34123 1 516 . 1 1 69 69 ARG H H 1 7.831 . . . . . . . A 71 ARG H . 34123 1 517 . 1 1 69 69 ARG HA H 1 3.918 . . . . . . . A 71 ARG HA . 34123 1 518 . 1 1 69 69 ARG HB2 H 1 1.997 . . . . . . . A 71 ARG HB2 . 34123 1 519 . 1 1 69 69 ARG HB3 H 1 1.871 . . . . . . . A 71 ARG HB3 . 34123 1 520 . 1 1 69 69 ARG HG2 H 1 1.393 . . . . . . . A 71 ARG HG2 . 34123 1 521 . 1 1 69 69 ARG HG3 H 1 1.393 . . . . . . . A 71 ARG HG3 . 34123 1 522 . 1 1 69 69 ARG HD2 H 1 2.916 . . . . . . . A 71 ARG HD2 . 34123 1 523 . 1 1 69 69 ARG HD3 H 1 2.916 . . . . . . . A 71 ARG HD3 . 34123 1 524 . 1 1 69 69 ARG CA C 13 58.490 . . . . . . . A 71 ARG CA . 34123 1 525 . 1 1 69 69 ARG CB C 13 29.354 . . . . . . . A 71 ARG CB . 34123 1 526 . 1 1 69 69 ARG CG C 13 26.412 . . . . . . . A 71 ARG CG . 34123 1 527 . 1 1 69 69 ARG N N 15 120.943 . . . . . . . A 71 ARG N . 34123 1 528 . 1 1 70 70 LEU H H 1 7.974 . . . . . . . A 72 LEU H . 34123 1 529 . 1 1 70 70 LEU HA H 1 3.950 . . . . . . . A 72 LEU HA . 34123 1 530 . 1 1 70 70 LEU HB2 H 1 1.548 . . . . . . . A 72 LEU HB2 . 34123 1 531 . 1 1 70 70 LEU HB3 H 1 1.315 . . . . . . . A 72 LEU HB3 . 34123 1 532 . 1 1 70 70 LEU HG H 1 0.822 . . . . . . . A 72 LEU HG . 34123 1 533 . 1 1 70 70 LEU HD11 H 1 0.410 . . . . . . . A 72 LEU HD11 . 34123 1 534 . 1 1 70 70 LEU HD12 H 1 0.410 . . . . . . . A 72 LEU HD12 . 34123 1 535 . 1 1 70 70 LEU HD13 H 1 0.410 . . . . . . . A 72 LEU HD13 . 34123 1 536 . 1 1 70 70 LEU CB C 13 41.454 . . . . . . . A 72 LEU CB . 34123 1 537 . 1 1 70 70 LEU CG C 13 26.631 . . . . . . . A 72 LEU CG . 34123 1 538 . 1 1 70 70 LEU CD1 C 13 21.897 . . . . . . . A 72 LEU CD1 . 34123 1 539 . 1 1 70 70 LEU CD2 C 13 21.897 . . . . . . . A 72 LEU CD2 . 34123 1 540 . 1 1 70 70 LEU N N 15 117.983 . . . . . . . A 72 LEU N . 34123 1 541 . 1 1 71 71 GLN H H 1 7.394 . . . . . . . A 73 GLN H . 34123 1 542 . 1 1 71 71 GLN HA H 1 3.755 . . . . . . . A 73 GLN HA . 34123 1 543 . 1 1 71 71 GLN HB2 H 1 1.702 . . . . . . . A 73 GLN HB2 . 34123 1 544 . 1 1 71 71 GLN HB3 H 1 1.588 . . . . . . . A 73 GLN HB3 . 34123 1 545 . 1 1 71 71 GLN HG2 H 1 1.501 . . . . . . . A 73 GLN HG2 . 34123 1 546 . 1 1 71 71 GLN HG3 H 1 1.504 . . . . . . . A 73 GLN HG3 . 34123 1 547 . 1 1 71 71 GLN CA C 13 56.552 . . . . . . . A 73 GLN CA . 34123 1 548 . 1 1 71 71 GLN CB C 13 28.551 . . . . . . . A 73 GLN CB . 34123 1 549 . 1 1 71 71 GLN CG C 13 32.819 . . . . . . . A 73 GLN CG . 34123 1 550 . 1 1 71 71 GLN N N 15 116.767 . . . . . . . A 73 GLN N . 34123 1 551 . 1 1 72 72 GLU H H 1 7.445 . . . . . . . A 74 GLU H . 34123 1 552 . 1 1 72 72 GLU HA H 1 4.139 . . . . . . . A 74 GLU HA . 34123 1 553 . 1 1 72 72 GLU HB2 H 1 2.014 . . . . . . . A 74 GLU HB2 . 34123 1 554 . 1 1 72 72 GLU HB3 H 1 1.904 . . . . . . . A 74 GLU HB3 . 34123 1 555 . 1 1 72 72 GLU HG2 H 1 2.130 . . . . . . . A 74 GLU HG2 . 34123 1 556 . 1 1 72 72 GLU HG3 H 1 2.130 . . . . . . . A 74 GLU HG3 . 34123 1 557 . 1 1 72 72 GLU CA C 13 56.657 . . . . . . . A 74 GLU CA . 34123 1 558 . 1 1 72 72 GLU CB C 13 30.056 . . . . . . . A 74 GLU CB . 34123 1 559 . 1 1 72 72 GLU CG C 13 36.138 . . . . . . . A 74 GLU CG . 34123 1 560 . 1 1 72 72 GLU N N 15 117.730 . . . . . . . A 74 GLU N . 34123 1 stop_ save_