data_11301 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11301 _Entry.Title ; Solution structure of the Myb_DNA-binding domain of human Cell division cycle 5-like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 M. Yoneyama . . . 11301 2 N. Tochio . . . 11301 3 S. Koshiba . . . 11301 4 M. Inoue . . . 11301 5 T. Kigawa . . . 11301 6 S. Yokoyama . . . 11301 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11301 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11301 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 11301 '15N chemical shifts' 56 11301 '1H chemical shifts' 399 11301 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 . . 2011-08-19 2010-08-09 original author . 11301 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIN 'BMRB Entry Tracking System' 11301 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11301 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the Myb_DNA-binding domain of human Cell division cycle 5-like protein ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 M. Yoneyama . . . 11301 1 2 N. Tochio . . . 11301 1 3 S. Koshiba . . . 11301 1 4 M. Inoue . . . 11301 1 5 T. Kigawa . . . 11301 1 6 S. Yokoyama . . . 11301 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11301 _Assembly.ID 1 _Assembly.Name 'Cell division cycle 5-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Myb_DNA-binding domain' 1 $entity_1 A . yes native no no . . . 11301 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2din . . . . . . 11301 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11301 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Myb_DNA-binding domain' _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 ; GSSGSSGKKTEWSREEEEKL LHLAKLMPTQWRTIAPIIGR TAAQCLEHYEFLLDKAAQRD SGPSSG ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DIN . "Solution Structure Of The Myb_dna-Binding Domain Of Human Cell Division Cycle 5-Like Protein" . . . . . 100.00 66 100.00 100.00 1.73e-39 . . . . 11301 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Myb_DNA-binding domain' . 11301 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 . GLY . 11301 1 2 . SER . 11301 1 3 . SER . 11301 1 4 . GLY . 11301 1 5 . SER . 11301 1 6 . SER . 11301 1 7 . GLY . 11301 1 8 . LYS . 11301 1 9 . LYS . 11301 1 10 . THR . 11301 1 11 . GLU . 11301 1 12 . TRP . 11301 1 13 . SER . 11301 1 14 . ARG . 11301 1 15 . GLU . 11301 1 16 . GLU . 11301 1 17 . GLU . 11301 1 18 . GLU . 11301 1 19 . LYS . 11301 1 20 . LEU . 11301 1 21 . LEU . 11301 1 22 . HIS . 11301 1 23 . LEU . 11301 1 24 . ALA . 11301 1 25 . LYS . 11301 1 26 . LEU . 11301 1 27 . MET . 11301 1 28 . PRO . 11301 1 29 . THR . 11301 1 30 . GLN . 11301 1 31 . TRP . 11301 1 32 . ARG . 11301 1 33 . THR . 11301 1 34 . ILE . 11301 1 35 . ALA . 11301 1 36 . PRO . 11301 1 37 . ILE . 11301 1 38 . ILE . 11301 1 39 . GLY . 11301 1 40 . ARG . 11301 1 41 . THR . 11301 1 42 . ALA . 11301 1 43 . ALA . 11301 1 44 . GLN . 11301 1 45 . CYS . 11301 1 46 . LEU . 11301 1 47 . GLU . 11301 1 48 . HIS . 11301 1 49 . TYR . 11301 1 50 . GLU . 11301 1 51 . PHE . 11301 1 52 . LEU . 11301 1 53 . LEU . 11301 1 54 . ASP . 11301 1 55 . LYS . 11301 1 56 . ALA . 11301 1 57 . ALA . 11301 1 58 . GLN . 11301 1 59 . ARG . 11301 1 60 . ASP . 11301 1 61 . SER . 11301 1 62 . GLY . 11301 1 63 . PRO . 11301 1 64 . SER . 11301 1 65 . SER . 11301 1 66 . GLY . 11301 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11301 1 . SER 2 2 11301 1 . SER 3 3 11301 1 . GLY 4 4 11301 1 . SER 5 5 11301 1 . SER 6 6 11301 1 . GLY 7 7 11301 1 . LYS 8 8 11301 1 . LYS 9 9 11301 1 . THR 10 10 11301 1 . GLU 11 11 11301 1 . TRP 12 12 11301 1 . SER 13 13 11301 1 . ARG 14 14 11301 1 . GLU 15 15 11301 1 . GLU 16 16 11301 1 . GLU 17 17 11301 1 . GLU 18 18 11301 1 . LYS 19 19 11301 1 . LEU 20 20 11301 1 . LEU 21 21 11301 1 . HIS 22 22 11301 1 . LEU 23 23 11301 1 . ALA 24 24 11301 1 . LYS 25 25 11301 1 . LEU 26 26 11301 1 . MET 27 27 11301 1 . PRO 28 28 11301 1 . THR 29 29 11301 1 . GLN 30 30 11301 1 . TRP 31 31 11301 1 . ARG 32 32 11301 1 . THR 33 33 11301 1 . ILE 34 34 11301 1 . ALA 35 35 11301 1 . PRO 36 36 11301 1 . ILE 37 37 11301 1 . ILE 38 38 11301 1 . GLY 39 39 11301 1 . ARG 40 40 11301 1 . THR 41 41 11301 1 . ALA 42 42 11301 1 . ALA 43 43 11301 1 . GLN 44 44 11301 1 . CYS 45 45 11301 1 . LEU 46 46 11301 1 . GLU 47 47 11301 1 . HIS 48 48 11301 1 . TYR 49 49 11301 1 . GLU 50 50 11301 1 . PHE 51 51 11301 1 . LEU 52 52 11301 1 . LEU 53 53 11301 1 . ASP 54 54 11301 1 . LYS 55 55 11301 1 . ALA 56 56 11301 1 . ALA 57 57 11301 1 . GLN 58 58 11301 1 . ARG 59 59 11301 1 . ASP 60 60 11301 1 . SER 61 61 11301 1 . GLY 62 62 11301 1 . PRO 63 63 11301 1 . SER 64 64 11301 1 . SER 65 65 11301 1 . GLY 66 66 11301 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 11301 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11301 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 11301 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050905-03 . . . . . . 11301 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11301 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.13mM Myb_DNA-binding domain U-15N, {13C;} 20mM d-Tris HCl (pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 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 'Myb_DNA-binding domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 11301 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11301 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11301 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11301 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11301 1 6 H2O . . . . . . solvent 90 . . % . . . . 11301 1 7 D2O . . . . . . solvent 10 . . % . . . . 11301 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11301 _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' 120 0.1 mM 11301 1 pH 7.0 0.05 pH 11301 1 pressure 1 0.001 atm 11301 1 temperature 298 0.1 K 11301 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11301 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11301 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11301 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11301 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11301 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11301 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 11301 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11301 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11301 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11301 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9736 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11301 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11301 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11301 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11301 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11301 5 'structure solution' 11301 5 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 11301 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 11301 _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 . 800 . . . 11301 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 11301 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11301 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11301 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11301 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11301 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11301 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11301 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11301 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11301 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11301 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11301 1 2 $NMRPipe . . 11301 1 3 $NMRVIEW . . 11301 1 4 $Kujira . . 11301 1 5 $CYANA . . 11301 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 8 8 LYS HA H 1 4.301 0.030 . 1 . . . . 8 LYS HA . 11301 1 2 . 1 1 8 8 LYS HB2 H 1 1.783 0.030 . 2 . . . . 8 LYS HB2 . 11301 1 3 . 1 1 8 8 LYS HB3 H 1 1.700 0.030 . 2 . . . . 8 LYS HB3 . 11301 1 4 . 1 1 8 8 LYS HG2 H 1 1.408 0.030 . 2 . . . . 8 LYS HG2 . 11301 1 5 . 1 1 8 8 LYS HG3 H 1 1.368 0.030 . 2 . . . . 8 LYS HG3 . 11301 1 6 . 1 1 8 8 LYS C C 13 176.681 0.300 . 1 . . . . 8 LYS C . 11301 1 7 . 1 1 8 8 LYS CA C 13 56.248 0.300 . 1 . . . . 8 LYS CA . 11301 1 8 . 1 1 8 8 LYS CB C 13 33.227 0.300 . 1 . . . . 8 LYS CB . 11301 1 9 . 1 1 8 8 LYS CD C 13 29.156 0.300 . 1 . . . . 8 LYS CD . 11301 1 10 . 1 1 8 8 LYS CE C 13 42.258 0.300 . 1 . . . . 8 LYS CE . 11301 1 11 . 1 1 8 8 LYS CG C 13 24.693 0.300 . 1 . . . . 8 LYS CG . 11301 1 12 . 1 1 9 9 LYS H H 1 8.469 0.030 . 1 . . . . 9 LYS H . 11301 1 13 . 1 1 9 9 LYS HA H 1 4.361 0.030 . 1 . . . . 9 LYS HA . 11301 1 14 . 1 1 9 9 LYS HB2 H 1 1.808 0.030 . 2 . . . . 9 LYS HB2 . 11301 1 15 . 1 1 9 9 LYS HB3 H 1 1.727 0.030 . 2 . . . . 9 LYS HB3 . 11301 1 16 . 1 1 9 9 LYS HD2 H 1 1.636 0.030 . 1 . . . . 9 LYS HD2 . 11301 1 17 . 1 1 9 9 LYS HD3 H 1 1.636 0.030 . 1 . . . . 9 LYS HD3 . 11301 1 18 . 1 1 9 9 LYS HE2 H 1 2.947 0.030 . 1 . . . . 9 LYS HE2 . 11301 1 19 . 1 1 9 9 LYS HE3 H 1 2.947 0.030 . 1 . . . . 9 LYS HE3 . 11301 1 20 . 1 1 9 9 LYS HG2 H 1 1.430 0.030 . 2 . . . . 9 LYS HG2 . 11301 1 21 . 1 1 9 9 LYS HG3 H 1 1.365 0.030 . 2 . . . . 9 LYS HG3 . 11301 1 22 . 1 1 9 9 LYS C C 13 176.688 0.300 . 1 . . . . 9 LYS C . 11301 1 23 . 1 1 9 9 LYS CA C 13 56.272 0.300 . 1 . . . . 9 LYS CA . 11301 1 24 . 1 1 9 9 LYS CB C 13 33.039 0.300 . 1 . . . . 9 LYS CB . 11301 1 25 . 1 1 9 9 LYS CD C 13 29.074 0.300 . 1 . . . . 9 LYS CD . 11301 1 26 . 1 1 9 9 LYS CE C 13 42.142 0.300 . 1 . . . . 9 LYS CE . 11301 1 27 . 1 1 9 9 LYS CG C 13 24.712 0.300 . 1 . . . . 9 LYS CG . 11301 1 28 . 1 1 9 9 LYS N N 15 123.363 0.300 . 1 . . . . 9 LYS N . 11301 1 29 . 1 1 10 10 THR H H 1 8.168 0.030 . 1 . . . . 10 THR H . 11301 1 30 . 1 1 10 10 THR HA H 1 4.243 0.030 . 1 . . . . 10 THR HA . 11301 1 31 . 1 1 10 10 THR HB H 1 4.152 0.030 . 1 . . . . 10 THR HB . 11301 1 32 . 1 1 10 10 THR HG21 H 1 1.129 0.030 . 1 . . . . 10 THR HG2 . 11301 1 33 . 1 1 10 10 THR HG22 H 1 1.129 0.030 . 1 . . . . 10 THR HG2 . 11301 1 34 . 1 1 10 10 THR HG23 H 1 1.129 0.030 . 1 . . . . 10 THR HG2 . 11301 1 35 . 1 1 10 10 THR C C 13 174.788 0.300 . 1 . . . . 10 THR C . 11301 1 36 . 1 1 10 10 THR CA C 13 61.919 0.300 . 1 . . . . 10 THR CA . 11301 1 37 . 1 1 10 10 THR CB C 13 69.659 0.300 . 1 . . . . 10 THR CB . 11301 1 38 . 1 1 10 10 THR CG2 C 13 21.853 0.300 . 1 . . . . 10 THR CG2 . 11301 1 39 . 1 1 10 10 THR N N 15 115.659 0.300 . 1 . . . . 10 THR N . 11301 1 40 . 1 1 11 11 GLU H H 1 8.431 0.030 . 1 . . . . 11 GLU H . 11301 1 41 . 1 1 11 11 GLU HA H 1 4.334 0.030 . 1 . . . . 11 GLU HA . 11301 1 42 . 1 1 11 11 GLU HB2 H 1 2.034 0.030 . 2 . . . . 11 GLU HB2 . 11301 1 43 . 1 1 11 11 GLU HB3 H 1 1.914 0.030 . 2 . . . . 11 GLU HB3 . 11301 1 44 . 1 1 11 11 GLU HG2 H 1 2.270 0.030 . 1 . . . . 11 GLU HG2 . 11301 1 45 . 1 1 11 11 GLU HG3 H 1 2.270 0.030 . 1 . . . . 11 GLU HG3 . 11301 1 46 . 1 1 11 11 GLU C C 13 176.374 0.300 . 1 . . . . 11 GLU C . 11301 1 47 . 1 1 11 11 GLU CA C 13 56.545 0.300 . 1 . . . . 11 GLU CA . 11301 1 48 . 1 1 11 11 GLU CB C 13 30.438 0.300 . 1 . . . . 11 GLU CB . 11301 1 49 . 1 1 11 11 GLU CG C 13 36.243 0.300 . 1 . . . . 11 GLU CG . 11301 1 50 . 1 1 11 11 GLU N N 15 124.069 0.300 . 1 . . . . 11 GLU N . 11301 1 51 . 1 1 12 12 TRP H H 1 8.791 0.030 . 1 . . . . 12 TRP H . 11301 1 52 . 1 1 12 12 TRP HA H 1 4.397 0.030 . 1 . . . . 12 TRP HA . 11301 1 53 . 1 1 12 12 TRP HB2 H 1 3.018 0.030 . 2 . . . . 12 TRP HB2 . 11301 1 54 . 1 1 12 12 TRP HB3 H 1 2.785 0.030 . 2 . . . . 12 TRP HB3 . 11301 1 55 . 1 1 12 12 TRP HD1 H 1 6.822 0.030 . 1 . . . . 12 TRP HD1 . 11301 1 56 . 1 1 12 12 TRP HE1 H 1 9.930 0.030 . 1 . . . . 12 TRP HE1 . 11301 1 57 . 1 1 12 12 TRP HE3 H 1 7.257 0.030 . 1 . . . . 12 TRP HE3 . 11301 1 58 . 1 1 12 12 TRP HH2 H 1 7.209 0.030 . 1 . . . . 12 TRP HH2 . 11301 1 59 . 1 1 12 12 TRP HZ2 H 1 7.030 0.030 . 1 . . . . 12 TRP HZ2 . 11301 1 60 . 1 1 12 12 TRP HZ3 H 1 6.957 0.030 . 1 . . . . 12 TRP HZ3 . 11301 1 61 . 1 1 12 12 TRP C C 13 176.510 0.300 . 1 . . . . 12 TRP C . 11301 1 62 . 1 1 12 12 TRP CA C 13 57.359 0.300 . 1 . . . . 12 TRP CA . 11301 1 63 . 1 1 12 12 TRP CB C 13 29.718 0.300 . 1 . . . . 12 TRP CB . 11301 1 64 . 1 1 12 12 TRP CD1 C 13 126.540 0.300 . 1 . . . . 12 TRP CD1 . 11301 1 65 . 1 1 12 12 TRP CE3 C 13 119.864 0.300 . 1 . . . . 12 TRP CE3 . 11301 1 66 . 1 1 12 12 TRP CH2 C 13 123.510 0.300 . 1 . . . . 12 TRP CH2 . 11301 1 67 . 1 1 12 12 TRP CZ2 C 13 113.680 0.300 . 1 . . . . 12 TRP CZ2 . 11301 1 68 . 1 1 12 12 TRP CZ3 C 13 121.138 0.300 . 1 . . . . 12 TRP CZ3 . 11301 1 69 . 1 1 12 12 TRP N N 15 124.069 0.300 . 1 . . . . 12 TRP N . 11301 1 70 . 1 1 12 12 TRP NE1 N 15 130.333 0.300 . 1 . . . . 12 TRP NE1 . 11301 1 71 . 1 1 13 13 SER H H 1 9.048 0.030 . 1 . . . . 13 SER H . 11301 1 72 . 1 1 13 13 SER HA H 1 4.775 0.030 . 1 . . . . 13 SER HA . 11301 1 73 . 1 1 13 13 SER HB2 H 1 4.451 0.030 . 2 . . . . 13 SER HB2 . 11301 1 74 . 1 1 13 13 SER HB3 H 1 4.048 0.030 . 2 . . . . 13 SER HB3 . 11301 1 75 . 1 1 13 13 SER C C 13 175.206 0.300 . 1 . . . . 13 SER C . 11301 1 76 . 1 1 13 13 SER CA C 13 56.565 0.300 . 1 . . . . 13 SER CA . 11301 1 77 . 1 1 13 13 SER CB C 13 65.968 0.300 . 1 . . . . 13 SER CB . 11301 1 78 . 1 1 13 13 SER N N 15 120.324 0.300 . 1 . . . . 13 SER N . 11301 1 79 . 1 1 14 14 ARG H H 1 9.051 0.030 . 1 . . . . 14 ARG H . 11301 1 80 . 1 1 14 14 ARG HA H 1 4.344 0.030 . 1 . . . . 14 ARG HA . 11301 1 81 . 1 1 14 14 ARG HB2 H 1 2.013 0.030 . 2 . . . . 14 ARG HB2 . 11301 1 82 . 1 1 14 14 ARG HB3 H 1 1.914 0.030 . 2 . . . . 14 ARG HB3 . 11301 1 83 . 1 1 14 14 ARG HD2 H 1 3.379 0.030 . 2 . . . . 14 ARG HD2 . 11301 1 84 . 1 1 14 14 ARG HD3 H 1 3.281 0.030 . 2 . . . . 14 ARG HD3 . 11301 1 85 . 1 1 14 14 ARG HG2 H 1 1.814 0.030 . 2 . . . . 14 ARG HG2 . 11301 1 86 . 1 1 14 14 ARG HG3 H 1 1.765 0.030 . 2 . . . . 14 ARG HG3 . 11301 1 87 . 1 1 14 14 ARG C C 13 179.040 0.300 . 1 . . . . 14 ARG C . 11301 1 88 . 1 1 14 14 ARG CA C 13 59.296 0.300 . 1 . . . . 14 ARG CA . 11301 1 89 . 1 1 14 14 ARG CB C 13 29.526 0.300 . 1 . . . . 14 ARG CB . 11301 1 90 . 1 1 14 14 ARG CD C 13 43.123 0.300 . 1 . . . . 14 ARG CD . 11301 1 91 . 1 1 14 14 ARG CG C 13 26.911 0.300 . 1 . . . . 14 ARG CG . 11301 1 92 . 1 1 14 14 ARG N N 15 122.785 0.300 . 1 . . . . 14 ARG N . 11301 1 93 . 1 1 15 15 GLU H H 1 8.920 0.030 . 1 . . . . 15 GLU H . 11301 1 94 . 1 1 15 15 GLU HA H 1 4.129 0.030 . 1 . . . . 15 GLU HA . 11301 1 95 . 1 1 15 15 GLU HB2 H 1 2.141 0.030 . 2 . . . . 15 GLU HB2 . 11301 1 96 . 1 1 15 15 GLU HB3 H 1 1.996 0.030 . 2 . . . . 15 GLU HB3 . 11301 1 97 . 1 1 15 15 GLU HG2 H 1 2.409 0.030 . 2 . . . . 15 GLU HG2 . 11301 1 98 . 1 1 15 15 GLU HG3 H 1 2.353 0.030 . 2 . . . . 15 GLU HG3 . 11301 1 99 . 1 1 15 15 GLU C C 13 179.979 0.300 . 1 . . . . 15 GLU C . 11301 1 100 . 1 1 15 15 GLU CA C 13 60.345 0.300 . 1 . . . . 15 GLU CA . 11301 1 101 . 1 1 15 15 GLU CB C 13 29.207 0.300 . 1 . . . . 15 GLU CB . 11301 1 102 . 1 1 15 15 GLU CG C 13 36.976 0.300 . 1 . . . . 15 GLU CG . 11301 1 103 . 1 1 15 15 GLU N N 15 118.429 0.300 . 1 . . . . 15 GLU N . 11301 1 104 . 1 1 16 16 GLU H H 1 7.950 0.030 . 1 . . . . 16 GLU H . 11301 1 105 . 1 1 16 16 GLU HA H 1 4.117 0.030 . 1 . . . . 16 GLU HA . 11301 1 106 . 1 1 16 16 GLU HB2 H 1 2.616 0.030 . 2 . . . . 16 GLU HB2 . 11301 1 107 . 1 1 16 16 GLU HB3 H 1 2.331 0.030 . 2 . . . . 16 GLU HB3 . 11301 1 108 . 1 1 16 16 GLU HG2 H 1 2.466 0.030 . 2 . . . . 16 GLU HG2 . 11301 1 109 . 1 1 16 16 GLU HG3 H 1 2.277 0.030 . 2 . . . . 16 GLU HG3 . 11301 1 110 . 1 1 16 16 GLU C C 13 179.188 0.300 . 1 . . . . 16 GLU C . 11301 1 111 . 1 1 16 16 GLU CA C 13 59.847 0.300 . 1 . . . . 16 GLU CA . 11301 1 112 . 1 1 16 16 GLU CB C 13 31.670 0.300 . 1 . . . . 16 GLU CB . 11301 1 113 . 1 1 16 16 GLU CG C 13 37.846 0.300 . 1 . . . . 16 GLU CG . 11301 1 114 . 1 1 16 16 GLU N N 15 120.485 0.300 . 1 . . . . 16 GLU N . 11301 1 115 . 1 1 17 17 GLU H H 1 8.519 0.030 . 1 . . . . 17 GLU H . 11301 1 116 . 1 1 17 17 GLU HA H 1 4.023 0.030 . 1 . . . . 17 GLU HA . 11301 1 117 . 1 1 17 17 GLU HB2 H 1 2.634 0.030 . 2 . . . . 17 GLU HB2 . 11301 1 118 . 1 1 17 17 GLU HB3 H 1 2.034 0.030 . 2 . . . . 17 GLU HB3 . 11301 1 119 . 1 1 17 17 GLU HG2 H 1 3.156 0.030 . 2 . . . . 17 GLU HG2 . 11301 1 120 . 1 1 17 17 GLU HG3 H 1 2.022 0.030 . 2 . . . . 17 GLU HG3 . 11301 1 121 . 1 1 17 17 GLU C C 13 178.131 0.300 . 1 . . . . 17 GLU C . 11301 1 122 . 1 1 17 17 GLU CA C 13 60.584 0.300 . 1 . . . . 17 GLU CA . 11301 1 123 . 1 1 17 17 GLU CB C 13 29.585 0.300 . 1 . . . . 17 GLU CB . 11301 1 124 . 1 1 17 17 GLU CG C 13 39.457 0.300 . 1 . . . . 17 GLU CG . 11301 1 125 . 1 1 17 17 GLU N N 15 118.965 0.300 . 1 . . . . 17 GLU N . 11301 1 126 . 1 1 18 18 GLU H H 1 8.600 0.030 . 1 . . . . 18 GLU H . 11301 1 127 . 1 1 18 18 GLU HA H 1 4.043 0.030 . 1 . . . . 18 GLU HA . 11301 1 128 . 1 1 18 18 GLU HB2 H 1 2.199 0.030 . 2 . . . . 18 GLU HB2 . 11301 1 129 . 1 1 18 18 GLU HB3 H 1 2.119 0.030 . 2 . . . . 18 GLU HB3 . 11301 1 130 . 1 1 18 18 GLU HG2 H 1 2.536 0.030 . 2 . . . . 18 GLU HG2 . 11301 1 131 . 1 1 18 18 GLU HG3 H 1 2.303 0.030 . 2 . . . . 18 GLU HG3 . 11301 1 132 . 1 1 18 18 GLU C C 13 179.962 0.300 . 1 . . . . 18 GLU C . 11301 1 133 . 1 1 18 18 GLU CA C 13 59.756 0.300 . 1 . . . . 18 GLU CA . 11301 1 134 . 1 1 18 18 GLU CB C 13 29.480 0.300 . 1 . . . . 18 GLU CB . 11301 1 135 . 1 1 18 18 GLU CG C 13 36.820 0.300 . 1 . . . . 18 GLU CG . 11301 1 136 . 1 1 18 18 GLU N N 15 118.206 0.300 . 1 . . . . 18 GLU N . 11301 1 137 . 1 1 19 19 LYS H H 1 7.934 0.030 . 1 . . . . 19 LYS H . 11301 1 138 . 1 1 19 19 LYS HA H 1 4.240 0.030 . 1 . . . . 19 LYS HA . 11301 1 139 . 1 1 19 19 LYS HB2 H 1 2.065 0.030 . 2 . . . . 19 LYS HB2 . 11301 1 140 . 1 1 19 19 LYS HB3 H 1 1.994 0.030 . 2 . . . . 19 LYS HB3 . 11301 1 141 . 1 1 19 19 LYS HD2 H 1 1.748 0.030 . 1 . . . . 19 LYS HD2 . 11301 1 142 . 1 1 19 19 LYS HD3 H 1 1.748 0.030 . 1 . . . . 19 LYS HD3 . 11301 1 143 . 1 1 19 19 LYS HE2 H 1 2.974 0.030 . 2 . . . . 19 LYS HE2 . 11301 1 144 . 1 1 19 19 LYS HE3 H 1 2.921 0.030 . 2 . . . . 19 LYS HE3 . 11301 1 145 . 1 1 19 19 LYS HG2 H 1 1.694 0.030 . 2 . . . . 19 LYS HG2 . 11301 1 146 . 1 1 19 19 LYS HG3 H 1 1.535 0.030 . 2 . . . . 19 LYS HG3 . 11301 1 147 . 1 1 19 19 LYS C C 13 178.130 0.300 . 1 . . . . 19 LYS C . 11301 1 148 . 1 1 19 19 LYS CA C 13 59.651 0.300 . 1 . . . . 19 LYS CA . 11301 1 149 . 1 1 19 19 LYS CB C 13 32.538 0.300 . 1 . . . . 19 LYS CB . 11301 1 150 . 1 1 19 19 LYS CD C 13 29.604 0.300 . 1 . . . . 19 LYS CD . 11301 1 151 . 1 1 19 19 LYS CE C 13 41.929 0.300 . 1 . . . . 19 LYS CE . 11301 1 152 . 1 1 19 19 LYS CG C 13 25.191 0.300 . 1 . . . . 19 LYS CG . 11301 1 153 . 1 1 19 19 LYS N N 15 120.718 0.300 . 1 . . . . 19 LYS N . 11301 1 154 . 1 1 20 20 LEU H H 1 8.572 0.030 . 1 . . . . 20 LEU H . 11301 1 155 . 1 1 20 20 LEU HA H 1 4.096 0.030 . 1 . . . . 20 LEU HA . 11301 1 156 . 1 1 20 20 LEU HB2 H 1 2.497 0.030 . 2 . . . . 20 LEU HB2 . 11301 1 157 . 1 1 20 20 LEU HB3 H 1 1.942 0.030 . 2 . . . . 20 LEU HB3 . 11301 1 158 . 1 1 20 20 LEU HD11 H 1 1.322 0.030 . 1 . . . . 20 LEU HD1 . 11301 1 159 . 1 1 20 20 LEU HD12 H 1 1.322 0.030 . 1 . . . . 20 LEU HD1 . 11301 1 160 . 1 1 20 20 LEU HD13 H 1 1.322 0.030 . 1 . . . . 20 LEU HD1 . 11301 1 161 . 1 1 20 20 LEU HD21 H 1 0.979 0.030 . 1 . . . . 20 LEU HD2 . 11301 1 162 . 1 1 20 20 LEU HD22 H 1 0.979 0.030 . 1 . . . . 20 LEU HD2 . 11301 1 163 . 1 1 20 20 LEU HD23 H 1 0.979 0.030 . 1 . . . . 20 LEU HD2 . 11301 1 164 . 1 1 20 20 LEU HG H 1 1.767 0.030 . 1 . . . . 20 LEU HG . 11301 1 165 . 1 1 20 20 LEU C C 13 177.636 0.300 . 1 . . . . 20 LEU C . 11301 1 166 . 1 1 20 20 LEU CA C 13 59.104 0.300 . 1 . . . . 20 LEU CA . 11301 1 167 . 1 1 20 20 LEU CB C 13 42.429 0.300 . 1 . . . . 20 LEU CB . 11301 1 168 . 1 1 20 20 LEU CD1 C 13 24.046 0.300 . 2 . . . . 20 LEU CD1 . 11301 1 169 . 1 1 20 20 LEU CD2 C 13 26.060 0.300 . 2 . . . . 20 LEU CD2 . 11301 1 170 . 1 1 20 20 LEU CG C 13 27.882 0.300 . 1 . . . . 20 LEU CG . 11301 1 171 . 1 1 20 20 LEU N N 15 120.732 0.300 . 1 . . . . 20 LEU N . 11301 1 172 . 1 1 21 21 LEU H H 1 8.264 0.030 . 1 . . . . 21 LEU H . 11301 1 173 . 1 1 21 21 LEU HA H 1 4.174 0.030 . 1 . . . . 21 LEU HA . 11301 1 174 . 1 1 21 21 LEU HB2 H 1 1.985 0.030 . 2 . . . . 21 LEU HB2 . 11301 1 175 . 1 1 21 21 LEU HB3 H 1 1.570 0.030 . 2 . . . . 21 LEU HB3 . 11301 1 176 . 1 1 21 21 LEU HD11 H 1 0.929 0.030 . 1 . . . . 21 LEU HD1 . 11301 1 177 . 1 1 21 21 LEU HD12 H 1 0.929 0.030 . 1 . . . . 21 LEU HD1 . 11301 1 178 . 1 1 21 21 LEU HD13 H 1 0.929 0.030 . 1 . . . . 21 LEU HD1 . 11301 1 179 . 1 1 21 21 LEU HD21 H 1 0.953 0.030 . 1 . . . . 21 LEU HD2 . 11301 1 180 . 1 1 21 21 LEU HD22 H 1 0.953 0.030 . 1 . . . . 21 LEU HD2 . 11301 1 181 . 1 1 21 21 LEU HD23 H 1 0.953 0.030 . 1 . . . . 21 LEU HD2 . 11301 1 182 . 1 1 21 21 LEU HG H 1 1.965 0.030 . 1 . . . . 21 LEU HG . 11301 1 183 . 1 1 21 21 LEU C C 13 179.971 0.300 . 1 . . . . 21 LEU C . 11301 1 184 . 1 1 21 21 LEU CA C 13 58.153 0.300 . 1 . . . . 21 LEU CA . 11301 1 185 . 1 1 21 21 LEU CB C 13 41.629 0.300 . 1 . . . . 21 LEU CB . 11301 1 186 . 1 1 21 21 LEU CD1 C 13 25.476 0.300 . 2 . . . . 21 LEU CD1 . 11301 1 187 . 1 1 21 21 LEU CD2 C 13 22.564 0.300 . 2 . . . . 21 LEU CD2 . 11301 1 188 . 1 1 21 21 LEU CG C 13 26.991 0.300 . 1 . . . . 21 LEU CG . 11301 1 189 . 1 1 21 21 LEU N N 15 116.343 0.300 . 1 . . . . 21 LEU N . 11301 1 190 . 1 1 22 22 HIS H H 1 8.044 0.030 . 1 . . . . 22 HIS H . 11301 1 191 . 1 1 22 22 HIS HA H 1 4.447 0.030 . 1 . . . . 22 HIS HA . 11301 1 192 . 1 1 22 22 HIS HB2 H 1 3.344 0.030 . 2 . . . . 22 HIS HB2 . 11301 1 193 . 1 1 22 22 HIS HB3 H 1 3.254 0.030 . 2 . . . . 22 HIS HB3 . 11301 1 194 . 1 1 22 22 HIS HD2 H 1 6.877 0.030 . 1 . . . . 22 HIS HD2 . 11301 1 195 . 1 1 22 22 HIS HE1 H 1 7.788 0.030 . 1 . . . . 22 HIS HE1 . 11301 1 196 . 1 1 22 22 HIS C C 13 178.222 0.300 . 1 . . . . 22 HIS C . 11301 1 197 . 1 1 22 22 HIS CA C 13 59.543 0.300 . 1 . . . . 22 HIS CA . 11301 1 198 . 1 1 22 22 HIS CB C 13 31.134 0.300 . 1 . . . . 22 HIS CB . 11301 1 199 . 1 1 22 22 HIS CD2 C 13 119.367 0.300 . 1 . . . . 22 HIS CD2 . 11301 1 200 . 1 1 22 22 HIS CE1 C 13 138.711 0.300 . 1 . . . . 22 HIS CE1 . 11301 1 201 . 1 1 22 22 HIS N N 15 119.318 0.300 . 1 . . . . 22 HIS N . 11301 1 202 . 1 1 23 23 LEU H H 1 8.886 0.030 . 1 . . . . 23 LEU H . 11301 1 203 . 1 1 23 23 LEU HA H 1 3.827 0.030 . 1 . . . . 23 LEU HA . 11301 1 204 . 1 1 23 23 LEU HB2 H 1 1.970 0.030 . 2 . . . . 23 LEU HB2 . 11301 1 205 . 1 1 23 23 LEU HB3 H 1 1.319 0.030 . 2 . . . . 23 LEU HB3 . 11301 1 206 . 1 1 23 23 LEU HD11 H 1 0.976 0.030 . 1 . . . . 23 LEU HD1 . 11301 1 207 . 1 1 23 23 LEU HD12 H 1 0.976 0.030 . 1 . . . . 23 LEU HD1 . 11301 1 208 . 1 1 23 23 LEU HD13 H 1 0.976 0.030 . 1 . . . . 23 LEU HD1 . 11301 1 209 . 1 1 23 23 LEU HD21 H 1 0.916 0.030 . 1 . . . . 23 LEU HD2 . 11301 1 210 . 1 1 23 23 LEU HD22 H 1 0.916 0.030 . 1 . . . . 23 LEU HD2 . 11301 1 211 . 1 1 23 23 LEU HD23 H 1 0.916 0.030 . 1 . . . . 23 LEU HD2 . 11301 1 212 . 1 1 23 23 LEU HG H 1 2.093 0.030 . 1 . . . . 23 LEU HG . 11301 1 213 . 1 1 23 23 LEU C C 13 178.360 0.300 . 1 . . . . 23 LEU C . 11301 1 214 . 1 1 23 23 LEU CA C 13 57.906 0.300 . 1 . . . . 23 LEU CA . 11301 1 215 . 1 1 23 23 LEU CB C 13 42.379 0.300 . 1 . . . . 23 LEU CB . 11301 1 216 . 1 1 23 23 LEU CD1 C 13 27.313 0.300 . 2 . . . . 23 LEU CD1 . 11301 1 217 . 1 1 23 23 LEU CD2 C 13 22.482 0.300 . 2 . . . . 23 LEU CD2 . 11301 1 218 . 1 1 23 23 LEU CG C 13 27.336 0.300 . 1 . . . . 23 LEU CG . 11301 1 219 . 1 1 23 23 LEU N N 15 119.137 0.300 . 1 . . . . 23 LEU N . 11301 1 220 . 1 1 24 24 ALA H H 1 8.569 0.030 . 1 . . . . 24 ALA H . 11301 1 221 . 1 1 24 24 ALA HA H 1 3.486 0.030 . 1 . . . . 24 ALA HA . 11301 1 222 . 1 1 24 24 ALA HB1 H 1 1.118 0.030 . 1 . . . . 24 ALA HB . 11301 1 223 . 1 1 24 24 ALA HB2 H 1 1.118 0.030 . 1 . . . . 24 ALA HB . 11301 1 224 . 1 1 24 24 ALA HB3 H 1 1.118 0.030 . 1 . . . . 24 ALA HB . 11301 1 225 . 1 1 24 24 ALA C C 13 179.173 0.300 . 1 . . . . 24 ALA C . 11301 1 226 . 1 1 24 24 ALA CA C 13 54.307 0.300 . 1 . . . . 24 ALA CA . 11301 1 227 . 1 1 24 24 ALA CB C 13 18.884 0.300 . 1 . . . . 24 ALA CB . 11301 1 228 . 1 1 24 24 ALA N N 15 119.431 0.300 . 1 . . . . 24 ALA N . 11301 1 229 . 1 1 25 25 LYS H H 1 7.131 0.030 . 1 . . . . 25 LYS H . 11301 1 230 . 1 1 25 25 LYS HA H 1 4.074 0.030 . 1 . . . . 25 LYS HA . 11301 1 231 . 1 1 25 25 LYS HB2 H 1 1.944 0.030 . 1 . . . . 25 LYS HB2 . 11301 1 232 . 1 1 25 25 LYS HB3 H 1 1.944 0.030 . 1 . . . . 25 LYS HB3 . 11301 1 233 . 1 1 25 25 LYS HD2 H 1 1.740 0.030 . 1 . . . . 25 LYS HD2 . 11301 1 234 . 1 1 25 25 LYS HD3 H 1 1.740 0.030 . 1 . . . . 25 LYS HD3 . 11301 1 235 . 1 1 25 25 LYS HE2 H 1 3.014 0.030 . 1 . . . . 25 LYS HE2 . 11301 1 236 . 1 1 25 25 LYS HE3 H 1 3.014 0.030 . 1 . . . . 25 LYS HE3 . 11301 1 237 . 1 1 25 25 LYS HG2 H 1 1.617 0.030 . 2 . . . . 25 LYS HG2 . 11301 1 238 . 1 1 25 25 LYS HG3 H 1 1.433 0.030 . 2 . . . . 25 LYS HG3 . 11301 1 239 . 1 1 25 25 LYS C C 13 178.200 0.300 . 1 . . . . 25 LYS C . 11301 1 240 . 1 1 25 25 LYS CA C 13 58.064 0.300 . 1 . . . . 25 LYS CA . 11301 1 241 . 1 1 25 25 LYS CB C 13 32.503 0.300 . 1 . . . . 25 LYS CB . 11301 1 242 . 1 1 25 25 LYS CD C 13 29.350 0.300 . 1 . . . . 25 LYS CD . 11301 1 243 . 1 1 25 25 LYS CE C 13 42.137 0.300 . 1 . . . . 25 LYS CE . 11301 1 244 . 1 1 25 25 LYS CG C 13 25.161 0.300 . 1 . . . . 25 LYS CG . 11301 1 245 . 1 1 25 25 LYS N N 15 115.681 0.300 . 1 . . . . 25 LYS N . 11301 1 246 . 1 1 26 26 LEU H H 1 7.374 0.030 . 1 . . . . 26 LEU H . 11301 1 247 . 1 1 26 26 LEU HA H 1 4.073 0.030 . 1 . . . . 26 LEU HA . 11301 1 248 . 1 1 26 26 LEU HB2 H 1 1.521 0.030 . 1 . . . . 26 LEU HB2 . 11301 1 249 . 1 1 26 26 LEU HB3 H 1 1.521 0.030 . 1 . . . . 26 LEU HB3 . 11301 1 250 . 1 1 26 26 LEU HD11 H 1 0.736 0.030 . 1 . . . . 26 LEU HD1 . 11301 1 251 . 1 1 26 26 LEU HD12 H 1 0.736 0.030 . 1 . . . . 26 LEU HD1 . 11301 1 252 . 1 1 26 26 LEU HD13 H 1 0.736 0.030 . 1 . . . . 26 LEU HD1 . 11301 1 253 . 1 1 26 26 LEU HD21 H 1 0.789 0.030 . 1 . . . . 26 LEU HD2 . 11301 1 254 . 1 1 26 26 LEU HD22 H 1 0.789 0.030 . 1 . . . . 26 LEU HD2 . 11301 1 255 . 1 1 26 26 LEU HD23 H 1 0.789 0.030 . 1 . . . . 26 LEU HD2 . 11301 1 256 . 1 1 26 26 LEU HG H 1 1.527 0.030 . 1 . . . . 26 LEU HG . 11301 1 257 . 1 1 26 26 LEU C C 13 177.782 0.300 . 1 . . . . 26 LEU C . 11301 1 258 . 1 1 26 26 LEU CA C 13 56.706 0.300 . 1 . . . . 26 LEU CA . 11301 1 259 . 1 1 26 26 LEU CB C 13 43.613 0.300 . 1 . . . . 26 LEU CB . 11301 1 260 . 1 1 26 26 LEU CD1 C 13 24.460 0.300 . 2 . . . . 26 LEU CD1 . 11301 1 261 . 1 1 26 26 LEU CD2 C 13 23.636 0.300 . 2 . . . . 26 LEU CD2 . 11301 1 262 . 1 1 26 26 LEU CG C 13 26.671 0.300 . 1 . . . . 26 LEU CG . 11301 1 263 . 1 1 26 26 LEU N N 15 119.186 0.300 . 1 . . . . 26 LEU N . 11301 1 264 . 1 1 27 27 MET H H 1 8.166 0.030 . 1 . . . . 27 MET H . 11301 1 265 . 1 1 27 27 MET HA H 1 4.580 0.030 . 1 . . . . 27 MET HA . 11301 1 266 . 1 1 27 27 MET HB2 H 1 1.792 0.030 . 2 . . . . 27 MET HB2 . 11301 1 267 . 1 1 27 27 MET HB3 H 1 1.692 0.030 . 2 . . . . 27 MET HB3 . 11301 1 268 . 1 1 27 27 MET HE1 H 1 1.917 0.030 . 1 . . . . 27 MET HE . 11301 1 269 . 1 1 27 27 MET HE2 H 1 1.917 0.030 . 1 . . . . 27 MET HE . 11301 1 270 . 1 1 27 27 MET HE3 H 1 1.917 0.030 . 1 . . . . 27 MET HE . 11301 1 271 . 1 1 27 27 MET HG2 H 1 2.344 0.030 . 2 . . . . 27 MET HG2 . 11301 1 272 . 1 1 27 27 MET HG3 H 1 2.268 0.030 . 2 . . . . 27 MET HG3 . 11301 1 273 . 1 1 27 27 MET C C 13 171.495 0.300 . 1 . . . . 27 MET C . 11301 1 274 . 1 1 27 27 MET CA C 13 52.493 0.300 . 1 . . . . 27 MET CA . 11301 1 275 . 1 1 27 27 MET CB C 13 33.641 0.300 . 1 . . . . 27 MET CB . 11301 1 276 . 1 1 27 27 MET CE C 13 17.518 0.300 . 1 . . . . 27 MET CE . 11301 1 277 . 1 1 27 27 MET CG C 13 31.573 0.300 . 1 . . . . 27 MET CG . 11301 1 278 . 1 1 27 27 MET N N 15 117.372 0.300 . 1 . . . . 27 MET N . 11301 1 279 . 1 1 28 28 PRO HA H 1 4.240 0.030 . 1 . . . . 28 PRO HA . 11301 1 280 . 1 1 28 28 PRO HB2 H 1 2.243 0.030 . 2 . . . . 28 PRO HB2 . 11301 1 281 . 1 1 28 28 PRO HB3 H 1 1.857 0.030 . 2 . . . . 28 PRO HB3 . 11301 1 282 . 1 1 28 28 PRO HD2 H 1 3.306 0.030 . 2 . . . . 28 PRO HD2 . 11301 1 283 . 1 1 28 28 PRO HD3 H 1 3.232 0.030 . 2 . . . . 28 PRO HD3 . 11301 1 284 . 1 1 28 28 PRO HG2 H 1 1.946 0.030 . 1 . . . . 28 PRO HG2 . 11301 1 285 . 1 1 28 28 PRO HG3 H 1 1.946 0.030 . 1 . . . . 28 PRO HG3 . 11301 1 286 . 1 1 28 28 PRO CA C 13 63.818 0.300 . 1 . . . . 28 PRO CA . 11301 1 287 . 1 1 28 28 PRO CB C 13 31.673 0.300 . 1 . . . . 28 PRO CB . 11301 1 288 . 1 1 28 28 PRO CD C 13 49.749 0.300 . 1 . . . . 28 PRO CD . 11301 1 289 . 1 1 28 28 PRO CG C 13 27.655 0.300 . 1 . . . . 28 PRO CG . 11301 1 290 . 1 1 29 29 THR H H 1 8.523 0.030 . 1 . . . . 29 THR H . 11301 1 291 . 1 1 29 29 THR HA H 1 3.312 0.030 . 1 . . . . 29 THR HA . 11301 1 292 . 1 1 29 29 THR HB H 1 4.527 0.030 . 1 . . . . 29 THR HB . 11301 1 293 . 1 1 29 29 THR HG21 H 1 1.219 0.030 . 1 . . . . 29 THR HG2 . 11301 1 294 . 1 1 29 29 THR HG22 H 1 1.219 0.030 . 1 . . . . 29 THR HG2 . 11301 1 295 . 1 1 29 29 THR HG23 H 1 1.219 0.030 . 1 . . . . 29 THR HG2 . 11301 1 296 . 1 1 29 29 THR C C 13 174.162 0.300 . 1 . . . . 29 THR C . 11301 1 297 . 1 1 29 29 THR CA C 13 63.840 0.300 . 1 . . . . 29 THR CA . 11301 1 298 . 1 1 29 29 THR CB C 13 69.977 0.300 . 1 . . . . 29 THR CB . 11301 1 299 . 1 1 29 29 THR CG2 C 13 22.137 0.300 . 1 . . . . 29 THR CG2 . 11301 1 300 . 1 1 29 29 THR N N 15 113.867 0.300 . 1 . . . . 29 THR N . 11301 1 301 . 1 1 30 30 GLN H H 1 7.409 0.030 . 1 . . . . 30 GLN H . 11301 1 302 . 1 1 30 30 GLN HA H 1 4.590 0.030 . 1 . . . . 30 GLN HA . 11301 1 303 . 1 1 30 30 GLN HB2 H 1 2.119 0.030 . 2 . . . . 30 GLN HB2 . 11301 1 304 . 1 1 30 30 GLN HB3 H 1 1.735 0.030 . 2 . . . . 30 GLN HB3 . 11301 1 305 . 1 1 30 30 GLN HE21 H 1 7.301 0.030 . 2 . . . . 30 GLN HE21 . 11301 1 306 . 1 1 30 30 GLN HE22 H 1 6.813 0.030 . 2 . . . . 30 GLN HE22 . 11301 1 307 . 1 1 30 30 GLN HG2 H 1 2.057 0.030 . 1 . . . . 30 GLN HG2 . 11301 1 308 . 1 1 30 30 GLN HG3 H 1 2.057 0.030 . 1 . . . . 30 GLN HG3 . 11301 1 309 . 1 1 30 30 GLN C C 13 177.640 0.300 . 1 . . . . 30 GLN C . 11301 1 310 . 1 1 30 30 GLN CA C 13 54.220 0.300 . 1 . . . . 30 GLN CA . 11301 1 311 . 1 1 30 30 GLN CB C 13 25.614 0.300 . 1 . . . . 30 GLN CB . 11301 1 312 . 1 1 30 30 GLN CG C 13 32.726 0.300 . 1 . . . . 30 GLN CG . 11301 1 313 . 1 1 30 30 GLN N N 15 123.232 0.300 . 1 . . . . 30 GLN N . 11301 1 314 . 1 1 30 30 GLN NE2 N 15 111.857 0.300 . 1 . . . . 30 GLN NE2 . 11301 1 315 . 1 1 31 31 TRP H H 1 7.503 0.030 . 1 . . . . 31 TRP H . 11301 1 316 . 1 1 31 31 TRP HA H 1 4.378 0.030 . 1 . . . . 31 TRP HA . 11301 1 317 . 1 1 31 31 TRP HB2 H 1 3.536 0.030 . 2 . . . . 31 TRP HB2 . 11301 1 318 . 1 1 31 31 TRP HB3 H 1 3.186 0.030 . 2 . . . . 31 TRP HB3 . 11301 1 319 . 1 1 31 31 TRP HD1 H 1 7.393 0.030 . 1 . . . . 31 TRP HD1 . 11301 1 320 . 1 1 31 31 TRP HE1 H 1 10.567 0.030 . 1 . . . . 31 TRP HE1 . 11301 1 321 . 1 1 31 31 TRP HE3 H 1 7.221 0.030 . 1 . . . . 31 TRP HE3 . 11301 1 322 . 1 1 31 31 TRP HH2 H 1 6.112 0.030 . 1 . . . . 31 TRP HH2 . 11301 1 323 . 1 1 31 31 TRP HZ2 H 1 7.122 0.030 . 1 . . . . 31 TRP HZ2 . 11301 1 324 . 1 1 31 31 TRP HZ3 H 1 6.624 0.030 . 1 . . . . 31 TRP HZ3 . 11301 1 325 . 1 1 31 31 TRP C C 13 177.719 0.300 . 1 . . . . 31 TRP C . 11301 1 326 . 1 1 31 31 TRP CA C 13 60.131 0.300 . 1 . . . . 31 TRP CA . 11301 1 327 . 1 1 31 31 TRP CB C 13 29.681 0.300 . 1 . . . . 31 TRP CB . 11301 1 328 . 1 1 31 31 TRP CD1 C 13 128.176 0.300 . 1 . . . . 31 TRP CD1 . 11301 1 329 . 1 1 31 31 TRP CE3 C 13 119.811 0.300 . 1 . . . . 31 TRP CE3 . 11301 1 330 . 1 1 31 31 TRP CH2 C 13 124.366 0.300 . 1 . . . . 31 TRP CH2 . 11301 1 331 . 1 1 31 31 TRP CZ2 C 13 114.731 0.300 . 1 . . . . 31 TRP CZ2 . 11301 1 332 . 1 1 31 31 TRP CZ3 C 13 120.636 0.300 . 1 . . . . 31 TRP CZ3 . 11301 1 333 . 1 1 31 31 TRP N N 15 122.856 0.300 . 1 . . . . 31 TRP N . 11301 1 334 . 1 1 31 31 TRP NE1 N 15 130.089 0.300 . 1 . . . . 31 TRP NE1 . 11301 1 335 . 1 1 32 32 ARG H H 1 8.826 0.030 . 1 . . . . 32 ARG H . 11301 1 336 . 1 1 32 32 ARG HA H 1 4.219 0.030 . 1 . . . . 32 ARG HA . 11301 1 337 . 1 1 32 32 ARG HB2 H 1 1.988 0.030 . 2 . . . . 32 ARG HB2 . 11301 1 338 . 1 1 32 32 ARG HB3 H 1 1.944 0.030 . 2 . . . . 32 ARG HB3 . 11301 1 339 . 1 1 32 32 ARG HD2 H 1 3.278 0.030 . 1 . . . . 32 ARG HD2 . 11301 1 340 . 1 1 32 32 ARG HD3 H 1 3.278 0.030 . 1 . . . . 32 ARG HD3 . 11301 1 341 . 1 1 32 32 ARG HG2 H 1 1.843 0.030 . 2 . . . . 32 ARG HG2 . 11301 1 342 . 1 1 32 32 ARG HG3 H 1 1.675 0.030 . 2 . . . . 32 ARG HG3 . 11301 1 343 . 1 1 32 32 ARG C C 13 177.679 0.300 . 1 . . . . 32 ARG C . 11301 1 344 . 1 1 32 32 ARG CA C 13 59.139 0.300 . 1 . . . . 32 ARG CA . 11301 1 345 . 1 1 32 32 ARG CB C 13 29.623 0.300 . 1 . . . . 32 ARG CB . 11301 1 346 . 1 1 32 32 ARG CD C 13 43.436 0.300 . 1 . . . . 32 ARG CD . 11301 1 347 . 1 1 32 32 ARG CG C 13 28.097 0.300 . 1 . . . . 32 ARG CG . 11301 1 348 . 1 1 32 32 ARG N N 15 114.897 0.300 . 1 . . . . 32 ARG N . 11301 1 349 . 1 1 33 33 THR H H 1 7.504 0.030 . 1 . . . . 33 THR H . 11301 1 350 . 1 1 33 33 THR HA H 1 4.183 0.030 . 1 . . . . 33 THR HA . 11301 1 351 . 1 1 33 33 THR HB H 1 4.202 0.030 . 1 . . . . 33 THR HB . 11301 1 352 . 1 1 33 33 THR HG21 H 1 1.256 0.030 . 1 . . . . 33 THR HG2 . 11301 1 353 . 1 1 33 33 THR HG22 H 1 1.256 0.030 . 1 . . . . 33 THR HG2 . 11301 1 354 . 1 1 33 33 THR HG23 H 1 1.256 0.030 . 1 . . . . 33 THR HG2 . 11301 1 355 . 1 1 33 33 THR C C 13 175.411 0.300 . 1 . . . . 33 THR C . 11301 1 356 . 1 1 33 33 THR CA C 13 64.742 0.300 . 1 . . . . 33 THR CA . 11301 1 357 . 1 1 33 33 THR CB C 13 68.892 0.300 . 1 . . . . 33 THR CB . 11301 1 358 . 1 1 33 33 THR CG2 C 13 23.107 0.300 . 1 . . . . 33 THR CG2 . 11301 1 359 . 1 1 33 33 THR N N 15 115.852 0.300 . 1 . . . . 33 THR N . 11301 1 360 . 1 1 34 34 ILE H H 1 7.990 0.030 . 1 . . . . 34 ILE H . 11301 1 361 . 1 1 34 34 ILE HA H 1 3.590 0.030 . 1 . . . . 34 ILE HA . 11301 1 362 . 1 1 34 34 ILE HB H 1 1.747 0.030 . 1 . . . . 34 ILE HB . 11301 1 363 . 1 1 34 34 ILE HD11 H 1 0.194 0.030 . 1 . . . . 34 ILE HD1 . 11301 1 364 . 1 1 34 34 ILE HD12 H 1 0.194 0.030 . 1 . . . . 34 ILE HD1 . 11301 1 365 . 1 1 34 34 ILE HD13 H 1 0.194 0.030 . 1 . . . . 34 ILE HD1 . 11301 1 366 . 1 1 34 34 ILE HG12 H 1 1.680 0.030 . 2 . . . . 34 ILE HG12 . 11301 1 367 . 1 1 34 34 ILE HG13 H 1 0.791 0.030 . 2 . . . . 34 ILE HG13 . 11301 1 368 . 1 1 34 34 ILE HG21 H 1 1.074 0.030 . 1 . . . . 34 ILE HG2 . 11301 1 369 . 1 1 34 34 ILE HG22 H 1 1.074 0.030 . 1 . . . . 34 ILE HG2 . 11301 1 370 . 1 1 34 34 ILE HG23 H 1 1.074 0.030 . 1 . . . . 34 ILE HG2 . 11301 1 371 . 1 1 34 34 ILE C C 13 177.133 0.300 . 1 . . . . 34 ILE C . 11301 1 372 . 1 1 34 34 ILE CA C 13 65.510 0.300 . 1 . . . . 34 ILE CA . 11301 1 373 . 1 1 34 34 ILE CB C 13 40.461 0.300 . 1 . . . . 34 ILE CB . 11301 1 374 . 1 1 34 34 ILE CD1 C 13 12.636 0.300 . 1 . . . . 34 ILE CD1 . 11301 1 375 . 1 1 34 34 ILE CG1 C 13 29.927 0.300 . 1 . . . . 34 ILE CG1 . 11301 1 376 . 1 1 34 34 ILE CG2 C 13 16.829 0.300 . 1 . . . . 34 ILE CG2 . 11301 1 377 . 1 1 34 34 ILE N N 15 122.050 0.300 . 1 . . . . 34 ILE N . 11301 1 378 . 1 1 35 35 ALA H H 1 8.169 0.030 . 1 . . . . 35 ALA H . 11301 1 379 . 1 1 35 35 ALA HA H 1 4.380 0.030 . 1 . . . . 35 ALA HA . 11301 1 380 . 1 1 35 35 ALA HB1 H 1 1.658 0.030 . 1 . . . . 35 ALA HB . 11301 1 381 . 1 1 35 35 ALA HB2 H 1 1.658 0.030 . 1 . . . . 35 ALA HB . 11301 1 382 . 1 1 35 35 ALA HB3 H 1 1.658 0.030 . 1 . . . . 35 ALA HB . 11301 1 383 . 1 1 35 35 ALA C C 13 176.229 0.300 . 1 . . . . 35 ALA C . 11301 1 384 . 1 1 35 35 ALA CA C 13 57.627 0.300 . 1 . . . . 35 ALA CA . 11301 1 385 . 1 1 35 35 ALA CB C 13 15.818 0.300 . 1 . . . . 35 ALA CB . 11301 1 386 . 1 1 35 35 ALA N N 15 120.363 0.300 . 1 . . . . 35 ALA N . 11301 1 387 . 1 1 36 36 PRO HA H 1 4.460 0.030 . 1 . . . . 36 PRO HA . 11301 1 388 . 1 1 36 36 PRO HB2 H 1 2.334 0.030 . 2 . . . . 36 PRO HB2 . 11301 1 389 . 1 1 36 36 PRO HB3 H 1 1.885 0.030 . 2 . . . . 36 PRO HB3 . 11301 1 390 . 1 1 36 36 PRO HD2 H 1 3.752 0.030 . 2 . . . . 36 PRO HD2 . 11301 1 391 . 1 1 36 36 PRO HD3 H 1 3.611 0.030 . 2 . . . . 36 PRO HD3 . 11301 1 392 . 1 1 36 36 PRO HG2 H 1 2.094 0.030 . 2 . . . . 36 PRO HG2 . 11301 1 393 . 1 1 36 36 PRO HG3 H 1 2.055 0.030 . 2 . . . . 36 PRO HG3 . 11301 1 394 . 1 1 36 36 PRO C C 13 178.760 0.300 . 1 . . . . 36 PRO C . 11301 1 395 . 1 1 36 36 PRO CA C 13 65.273 0.300 . 1 . . . . 36 PRO CA . 11301 1 396 . 1 1 36 36 PRO CB C 13 31.072 0.300 . 1 . . . . 36 PRO CB . 11301 1 397 . 1 1 36 36 PRO CD C 13 50.522 0.300 . 1 . . . . 36 PRO CD . 11301 1 398 . 1 1 36 36 PRO CG C 13 28.168 0.300 . 1 . . . . 36 PRO CG . 11301 1 399 . 1 1 37 37 ILE H H 1 7.279 0.030 . 1 . . . . 37 ILE H . 11301 1 400 . 1 1 37 37 ILE HA H 1 3.762 0.030 . 1 . . . . 37 ILE HA . 11301 1 401 . 1 1 37 37 ILE HB H 1 2.109 0.030 . 1 . . . . 37 ILE HB . 11301 1 402 . 1 1 37 37 ILE HD11 H 1 0.895 0.030 . 1 . . . . 37 ILE HD1 . 11301 1 403 . 1 1 37 37 ILE HD12 H 1 0.895 0.030 . 1 . . . . 37 ILE HD1 . 11301 1 404 . 1 1 37 37 ILE HD13 H 1 0.895 0.030 . 1 . . . . 37 ILE HD1 . 11301 1 405 . 1 1 37 37 ILE HG12 H 1 1.863 0.030 . 2 . . . . 37 ILE HG12 . 11301 1 406 . 1 1 37 37 ILE HG13 H 1 1.046 0.030 . 2 . . . . 37 ILE HG13 . 11301 1 407 . 1 1 37 37 ILE HG21 H 1 0.962 0.030 . 1 . . . . 37 ILE HG2 . 11301 1 408 . 1 1 37 37 ILE HG22 H 1 0.962 0.030 . 1 . . . . 37 ILE HG2 . 11301 1 409 . 1 1 37 37 ILE HG23 H 1 0.962 0.030 . 1 . . . . 37 ILE HG2 . 11301 1 410 . 1 1 37 37 ILE C C 13 178.046 0.300 . 1 . . . . 37 ILE C . 11301 1 411 . 1 1 37 37 ILE CA C 13 64.541 0.300 . 1 . . . . 37 ILE CA . 11301 1 412 . 1 1 37 37 ILE CB C 13 37.807 0.300 . 1 . . . . 37 ILE CB . 11301 1 413 . 1 1 37 37 ILE CD1 C 13 13.958 0.300 . 1 . . . . 37 ILE CD1 . 11301 1 414 . 1 1 37 37 ILE CG1 C 13 28.527 0.300 . 1 . . . . 37 ILE CG1 . 11301 1 415 . 1 1 37 37 ILE CG2 C 13 18.135 0.300 . 1 . . . . 37 ILE CG2 . 11301 1 416 . 1 1 37 37 ILE N N 15 117.969 0.300 . 1 . . . . 37 ILE N . 11301 1 417 . 1 1 38 38 ILE H H 1 7.488 0.030 . 1 . . . . 38 ILE H . 11301 1 418 . 1 1 38 38 ILE HA H 1 4.054 0.030 . 1 . . . . 38 ILE HA . 11301 1 419 . 1 1 38 38 ILE HB H 1 2.026 0.030 . 1 . . . . 38 ILE HB . 11301 1 420 . 1 1 38 38 ILE HD11 H 1 1.081 0.030 . 1 . . . . 38 ILE HD1 . 11301 1 421 . 1 1 38 38 ILE HD12 H 1 1.081 0.030 . 1 . . . . 38 ILE HD1 . 11301 1 422 . 1 1 38 38 ILE HD13 H 1 1.081 0.030 . 1 . . . . 38 ILE HD1 . 11301 1 423 . 1 1 38 38 ILE HG12 H 1 1.622 0.030 . 2 . . . . 38 ILE HG12 . 11301 1 424 . 1 1 38 38 ILE HG13 H 1 1.502 0.030 . 2 . . . . 38 ILE HG13 . 11301 1 425 . 1 1 38 38 ILE HG21 H 1 0.979 0.030 . 1 . . . . 38 ILE HG2 . 11301 1 426 . 1 1 38 38 ILE HG22 H 1 0.979 0.030 . 1 . . . . 38 ILE HG2 . 11301 1 427 . 1 1 38 38 ILE HG23 H 1 0.979 0.030 . 1 . . . . 38 ILE HG2 . 11301 1 428 . 1 1 38 38 ILE C C 13 176.399 0.300 . 1 . . . . 38 ILE C . 11301 1 429 . 1 1 38 38 ILE CA C 13 61.096 0.300 . 1 . . . . 38 ILE CA . 11301 1 430 . 1 1 38 38 ILE CB C 13 38.196 0.300 . 1 . . . . 38 ILE CB . 11301 1 431 . 1 1 38 38 ILE CD1 C 13 12.401 0.300 . 1 . . . . 38 ILE CD1 . 11301 1 432 . 1 1 38 38 ILE CG1 C 13 28.346 0.300 . 1 . . . . 38 ILE CG1 . 11301 1 433 . 1 1 38 38 ILE CG2 C 13 18.041 0.300 . 1 . . . . 38 ILE CG2 . 11301 1 434 . 1 1 38 38 ILE N N 15 116.726 0.300 . 1 . . . . 38 ILE N . 11301 1 435 . 1 1 39 39 GLY H H 1 8.688 0.030 . 1 . . . . 39 GLY H . 11301 1 436 . 1 1 39 39 GLY HA2 H 1 4.113 0.030 . 2 . . . . 39 GLY HA2 . 11301 1 437 . 1 1 39 39 GLY HA3 H 1 3.703 0.030 . 2 . . . . 39 GLY HA3 . 11301 1 438 . 1 1 39 39 GLY C C 13 174.285 0.300 . 1 . . . . 39 GLY C . 11301 1 439 . 1 1 39 39 GLY CA C 13 45.723 0.300 . 1 . . . . 39 GLY CA . 11301 1 440 . 1 1 39 39 GLY N N 15 108.626 0.300 . 1 . . . . 39 GLY N . 11301 1 441 . 1 1 40 40 ARG H H 1 7.121 0.030 . 1 . . . . 40 ARG H . 11301 1 442 . 1 1 40 40 ARG HA H 1 4.739 0.030 . 1 . . . . 40 ARG HA . 11301 1 443 . 1 1 40 40 ARG HB2 H 1 2.073 0.030 . 2 . . . . 40 ARG HB2 . 11301 1 444 . 1 1 40 40 ARG HB3 H 1 1.218 0.030 . 2 . . . . 40 ARG HB3 . 11301 1 445 . 1 1 40 40 ARG HD2 H 1 2.610 0.030 . 2 . . . . 40 ARG HD2 . 11301 1 446 . 1 1 40 40 ARG HD3 H 1 2.061 0.030 . 2 . . . . 40 ARG HD3 . 11301 1 447 . 1 1 40 40 ARG HE H 1 6.448 0.030 . 1 . . . . 40 ARG HE . 11301 1 448 . 1 1 40 40 ARG HG2 H 1 1.169 0.030 . 2 . . . . 40 ARG HG2 . 11301 1 449 . 1 1 40 40 ARG HG3 H 1 0.965 0.030 . 2 . . . . 40 ARG HG3 . 11301 1 450 . 1 1 40 40 ARG C C 13 175.140 0.300 . 1 . . . . 40 ARG C . 11301 1 451 . 1 1 40 40 ARG CA C 13 53.404 0.300 . 1 . . . . 40 ARG CA . 11301 1 452 . 1 1 40 40 ARG CB C 13 34.517 0.300 . 1 . . . . 40 ARG CB . 11301 1 453 . 1 1 40 40 ARG CD C 13 42.939 0.300 . 1 . . . . 40 ARG CD . 11301 1 454 . 1 1 40 40 ARG CG C 13 27.639 0.300 . 1 . . . . 40 ARG CG . 11301 1 455 . 1 1 40 40 ARG N N 15 118.710 0.300 . 1 . . . . 40 ARG N . 11301 1 456 . 1 1 40 40 ARG NE N 15 84.208 0.300 . 1 . . . . 40 ARG NE . 11301 1 457 . 1 1 41 41 THR H H 1 8.288 0.030 . 1 . . . . 41 THR H . 11301 1 458 . 1 1 41 41 THR HA H 1 4.449 0.030 . 1 . . . . 41 THR HA . 11301 1 459 . 1 1 41 41 THR HB H 1 4.758 0.030 . 1 . . . . 41 THR HB . 11301 1 460 . 1 1 41 41 THR HG21 H 1 1.291 0.030 . 1 . . . . 41 THR HG2 . 11301 1 461 . 1 1 41 41 THR HG22 H 1 1.291 0.030 . 1 . . . . 41 THR HG2 . 11301 1 462 . 1 1 41 41 THR HG23 H 1 1.291 0.030 . 1 . . . . 41 THR HG2 . 11301 1 463 . 1 1 41 41 THR C C 13 176.431 0.300 . 1 . . . . 41 THR C . 11301 1 464 . 1 1 41 41 THR CA C 13 61.442 0.300 . 1 . . . . 41 THR CA . 11301 1 465 . 1 1 41 41 THR CB C 13 70.820 0.300 . 1 . . . . 41 THR CB . 11301 1 466 . 1 1 41 41 THR CG2 C 13 21.756 0.300 . 1 . . . . 41 THR CG2 . 11301 1 467 . 1 1 41 41 THR N N 15 109.303 0.300 . 1 . . . . 41 THR N . 11301 1 468 . 1 1 42 42 ALA H H 1 9.279 0.030 . 1 . . . . 42 ALA H . 11301 1 469 . 1 1 42 42 ALA HA H 1 4.009 0.030 . 1 . . . . 42 ALA HA . 11301 1 470 . 1 1 42 42 ALA HB1 H 1 1.468 0.030 . 1 . . . . 42 ALA HB . 11301 1 471 . 1 1 42 42 ALA HB2 H 1 1.468 0.030 . 1 . . . . 42 ALA HB . 11301 1 472 . 1 1 42 42 ALA HB3 H 1 1.468 0.030 . 1 . . . . 42 ALA HB . 11301 1 473 . 1 1 42 42 ALA C C 13 179.436 0.300 . 1 . . . . 42 ALA C . 11301 1 474 . 1 1 42 42 ALA CA C 13 56.658 0.300 . 1 . . . . 42 ALA CA . 11301 1 475 . 1 1 42 42 ALA CB C 13 17.833 0.300 . 1 . . . . 42 ALA CB . 11301 1 476 . 1 1 42 42 ALA N N 15 125.873 0.300 . 1 . . . . 42 ALA N . 11301 1 477 . 1 1 43 43 ALA H H 1 8.485 0.030 . 1 . . . . 43 ALA H . 11301 1 478 . 1 1 43 43 ALA HA H 1 3.967 0.030 . 1 . . . . 43 ALA HA . 11301 1 479 . 1 1 43 43 ALA HB1 H 1 1.407 0.030 . 1 . . . . 43 ALA HB . 11301 1 480 . 1 1 43 43 ALA HB2 H 1 1.407 0.030 . 1 . . . . 43 ALA HB . 11301 1 481 . 1 1 43 43 ALA HB3 H 1 1.407 0.030 . 1 . . . . 43 ALA HB . 11301 1 482 . 1 1 43 43 ALA C C 13 180.575 0.300 . 1 . . . . 43 ALA C . 11301 1 483 . 1 1 43 43 ALA CA C 13 55.177 0.300 . 1 . . . . 43 ALA CA . 11301 1 484 . 1 1 43 43 ALA CB C 13 18.387 0.300 . 1 . . . . 43 ALA CB . 11301 1 485 . 1 1 43 43 ALA N N 15 118.905 0.300 . 1 . . . . 43 ALA N . 11301 1 486 . 1 1 44 44 GLN H H 1 7.853 0.030 . 1 . . . . 44 GLN H . 11301 1 487 . 1 1 44 44 GLN HA H 1 4.189 0.030 . 1 . . . . 44 GLN HA . 11301 1 488 . 1 1 44 44 GLN HB2 H 1 2.536 0.030 . 2 . . . . 44 GLN HB2 . 11301 1 489 . 1 1 44 44 GLN HB3 H 1 2.178 0.030 . 2 . . . . 44 GLN HB3 . 11301 1 490 . 1 1 44 44 GLN HE21 H 1 7.630 0.030 . 2 . . . . 44 GLN HE21 . 11301 1 491 . 1 1 44 44 GLN HE22 H 1 6.925 0.030 . 2 . . . . 44 GLN HE22 . 11301 1 492 . 1 1 44 44 GLN HG2 H 1 2.599 0.030 . 1 . . . . 44 GLN HG2 . 11301 1 493 . 1 1 44 44 GLN HG3 H 1 2.599 0.030 . 1 . . . . 44 GLN HG3 . 11301 1 494 . 1 1 44 44 GLN C C 13 180.315 0.300 . 1 . . . . 44 GLN C . 11301 1 495 . 1 1 44 44 GLN CA C 13 58.890 0.300 . 1 . . . . 44 GLN CA . 11301 1 496 . 1 1 44 44 GLN CB C 13 28.939 0.300 . 1 . . . . 44 GLN CB . 11301 1 497 . 1 1 44 44 GLN CG C 13 35.017 0.300 . 1 . . . . 44 GLN CG . 11301 1 498 . 1 1 44 44 GLN N N 15 117.587 0.300 . 1 . . . . 44 GLN N . 11301 1 499 . 1 1 44 44 GLN NE2 N 15 111.645 0.300 . 1 . . . . 44 GLN NE2 . 11301 1 500 . 1 1 45 45 CYS H H 1 8.380 0.030 . 1 . . . . 45 CYS H . 11301 1 501 . 1 1 45 45 CYS HA H 1 4.324 0.030 . 1 . . . . 45 CYS HA . 11301 1 502 . 1 1 45 45 CYS HB2 H 1 3.476 0.030 . 2 . . . . 45 CYS HB2 . 11301 1 503 . 1 1 45 45 CYS HB3 H 1 2.841 0.030 . 2 . . . . 45 CYS HB3 . 11301 1 504 . 1 1 45 45 CYS C C 13 174.594 0.300 . 1 . . . . 45 CYS C . 11301 1 505 . 1 1 45 45 CYS CA C 13 64.933 0.300 . 1 . . . . 45 CYS CA . 11301 1 506 . 1 1 45 45 CYS CB C 13 27.536 0.300 . 1 . . . . 45 CYS CB . 11301 1 507 . 1 1 45 45 CYS N N 15 118.365 0.300 . 1 . . . . 45 CYS N . 11301 1 508 . 1 1 46 46 LEU H H 1 7.531 0.030 . 1 . . . . 46 LEU H . 11301 1 509 . 1 1 46 46 LEU HA H 1 2.618 0.030 . 1 . . . . 46 LEU HA . 11301 1 510 . 1 1 46 46 LEU HB2 H 1 1.206 0.030 . 2 . . . . 46 LEU HB2 . 11301 1 511 . 1 1 46 46 LEU HB3 H 1 0.142 0.030 . 2 . . . . 46 LEU HB3 . 11301 1 512 . 1 1 46 46 LEU HD11 H 1 0.638 0.030 . 1 . . . . 46 LEU HD1 . 11301 1 513 . 1 1 46 46 LEU HD12 H 1 0.638 0.030 . 1 . . . . 46 LEU HD1 . 11301 1 514 . 1 1 46 46 LEU HD13 H 1 0.638 0.030 . 1 . . . . 46 LEU HD1 . 11301 1 515 . 1 1 46 46 LEU HD21 H 1 0.641 0.030 . 1 . . . . 46 LEU HD2 . 11301 1 516 . 1 1 46 46 LEU HD22 H 1 0.641 0.030 . 1 . . . . 46 LEU HD2 . 11301 1 517 . 1 1 46 46 LEU HD23 H 1 0.641 0.030 . 1 . . . . 46 LEU HD2 . 11301 1 518 . 1 1 46 46 LEU HG H 1 1.148 0.030 . 1 . . . . 46 LEU HG . 11301 1 519 . 1 1 46 46 LEU C C 13 177.845 0.300 . 1 . . . . 46 LEU C . 11301 1 520 . 1 1 46 46 LEU CA C 13 57.883 0.300 . 1 . . . . 46 LEU CA . 11301 1 521 . 1 1 46 46 LEU CB C 13 40.976 0.300 . 1 . . . . 46 LEU CB . 11301 1 522 . 1 1 46 46 LEU CD1 C 13 25.282 0.300 . 2 . . . . 46 LEU CD1 . 11301 1 523 . 1 1 46 46 LEU CD2 C 13 22.724 0.300 . 2 . . . . 46 LEU CD2 . 11301 1 524 . 1 1 46 46 LEU CG C 13 26.929 0.300 . 1 . . . . 46 LEU CG . 11301 1 525 . 1 1 46 46 LEU N N 15 121.105 0.300 . 1 . . . . 46 LEU N . 11301 1 526 . 1 1 47 47 GLU H H 1 7.922 0.030 . 1 . . . . 47 GLU H . 11301 1 527 . 1 1 47 47 GLU HA H 1 3.964 0.030 . 1 . . . . 47 GLU HA . 11301 1 528 . 1 1 47 47 GLU HB2 H 1 2.084 0.030 . 2 . . . . 47 GLU HB2 . 11301 1 529 . 1 1 47 47 GLU HB3 H 1 2.041 0.030 . 2 . . . . 47 GLU HB3 . 11301 1 530 . 1 1 47 47 GLU HG2 H 1 2.358 0.030 . 2 . . . . 47 GLU HG2 . 11301 1 531 . 1 1 47 47 GLU HG3 H 1 2.196 0.030 . 2 . . . . 47 GLU HG3 . 11301 1 532 . 1 1 47 47 GLU C C 13 179.542 0.300 . 1 . . . . 47 GLU C . 11301 1 533 . 1 1 47 47 GLU CA C 13 59.103 0.300 . 1 . . . . 47 GLU CA . 11301 1 534 . 1 1 47 47 GLU CB C 13 29.866 0.300 . 1 . . . . 47 GLU CB . 11301 1 535 . 1 1 47 47 GLU CG C 13 36.301 0.300 . 1 . . . . 47 GLU CG . 11301 1 536 . 1 1 47 47 GLU N N 15 116.858 0.300 . 1 . . . . 47 GLU N . 11301 1 537 . 1 1 48 48 HIS H H 1 8.157 0.030 . 1 . . . . 48 HIS H . 11301 1 538 . 1 1 48 48 HIS HA H 1 4.260 0.030 . 1 . . . . 48 HIS HA . 11301 1 539 . 1 1 48 48 HIS HB2 H 1 2.776 0.030 . 2 . . . . 48 HIS HB2 . 11301 1 540 . 1 1 48 48 HIS HB3 H 1 2.080 0.030 . 2 . . . . 48 HIS HB3 . 11301 1 541 . 1 1 48 48 HIS HD2 H 1 5.241 0.030 . 1 . . . . 48 HIS HD2 . 11301 1 542 . 1 1 48 48 HIS HE1 H 1 7.778 0.030 . 1 . . . . 48 HIS HE1 . 11301 1 543 . 1 1 48 48 HIS C C 13 176.220 0.300 . 1 . . . . 48 HIS C . 11301 1 544 . 1 1 48 48 HIS CA C 13 58.936 0.300 . 1 . . . . 48 HIS CA . 11301 1 545 . 1 1 48 48 HIS CB C 13 29.458 0.300 . 1 . . . . 48 HIS CB . 11301 1 546 . 1 1 48 48 HIS CD2 C 13 116.574 0.300 . 1 . . . . 48 HIS CD2 . 11301 1 547 . 1 1 48 48 HIS CE1 C 13 137.366 0.300 . 1 . . . . 48 HIS CE1 . 11301 1 548 . 1 1 48 48 HIS N N 15 118.753 0.300 . 1 . . . . 48 HIS N . 11301 1 549 . 1 1 49 49 TYR H H 1 8.334 0.030 . 1 . . . . 49 TYR H . 11301 1 550 . 1 1 49 49 TYR HA H 1 3.891 0.030 . 1 . . . . 49 TYR HA . 11301 1 551 . 1 1 49 49 TYR HB2 H 1 3.064 0.030 . 1 . . . . 49 TYR HB2 . 11301 1 552 . 1 1 49 49 TYR HB3 H 1 3.064 0.030 . 1 . . . . 49 TYR HB3 . 11301 1 553 . 1 1 49 49 TYR HD1 H 1 6.993 0.030 . 1 . . . . 49 TYR HD1 . 11301 1 554 . 1 1 49 49 TYR HD2 H 1 6.993 0.030 . 1 . . . . 49 TYR HD2 . 11301 1 555 . 1 1 49 49 TYR HE1 H 1 6.923 0.030 . 1 . . . . 49 TYR HE1 . 11301 1 556 . 1 1 49 49 TYR HE2 H 1 6.923 0.030 . 1 . . . . 49 TYR HE2 . 11301 1 557 . 1 1 49 49 TYR C C 13 176.406 0.300 . 1 . . . . 49 TYR C . 11301 1 558 . 1 1 49 49 TYR CA C 13 62.003 0.300 . 1 . . . . 49 TYR CA . 11301 1 559 . 1 1 49 49 TYR CB C 13 39.313 0.300 . 1 . . . . 49 TYR CB . 11301 1 560 . 1 1 49 49 TYR CD1 C 13 132.691 0.300 . 1 . . . . 49 TYR CD1 . 11301 1 561 . 1 1 49 49 TYR CD2 C 13 132.691 0.300 . 1 . . . . 49 TYR CD2 . 11301 1 562 . 1 1 49 49 TYR CE1 C 13 118.779 0.300 . 1 . . . . 49 TYR CE1 . 11301 1 563 . 1 1 49 49 TYR CE2 C 13 118.779 0.300 . 1 . . . . 49 TYR CE2 . 11301 1 564 . 1 1 49 49 TYR N N 15 120.387 0.300 . 1 . . . . 49 TYR N . 11301 1 565 . 1 1 50 50 GLU H H 1 8.111 0.030 . 1 . . . . 50 GLU H . 11301 1 566 . 1 1 50 50 GLU HA H 1 3.632 0.030 . 1 . . . . 50 GLU HA . 11301 1 567 . 1 1 50 50 GLU HB2 H 1 2.055 0.030 . 2 . . . . 50 GLU HB2 . 11301 1 568 . 1 1 50 50 GLU HB3 H 1 1.937 0.030 . 2 . . . . 50 GLU HB3 . 11301 1 569 . 1 1 50 50 GLU HG2 H 1 2.614 0.030 . 2 . . . . 50 GLU HG2 . 11301 1 570 . 1 1 50 50 GLU HG3 H 1 2.175 0.030 . 2 . . . . 50 GLU HG3 . 11301 1 571 . 1 1 50 50 GLU C C 13 179.263 0.300 . 1 . . . . 50 GLU C . 11301 1 572 . 1 1 50 50 GLU CA C 13 59.943 0.300 . 1 . . . . 50 GLU CA . 11301 1 573 . 1 1 50 50 GLU CB C 13 29.112 0.300 . 1 . . . . 50 GLU CB . 11301 1 574 . 1 1 50 50 GLU CG C 13 37.331 0.300 . 1 . . . . 50 GLU CG . 11301 1 575 . 1 1 50 50 GLU N N 15 116.379 0.300 . 1 . . . . 50 GLU N . 11301 1 576 . 1 1 51 51 PHE H H 1 7.580 0.030 . 1 . . . . 51 PHE H . 11301 1 577 . 1 1 51 51 PHE HA H 1 4.197 0.030 . 1 . . . . 51 PHE HA . 11301 1 578 . 1 1 51 51 PHE HB2 H 1 3.137 0.030 . 2 . . . . 51 PHE HB2 . 11301 1 579 . 1 1 51 51 PHE HB3 H 1 2.981 0.030 . 2 . . . . 51 PHE HB3 . 11301 1 580 . 1 1 51 51 PHE HD1 H 1 6.826 0.030 . 1 . . . . 51 PHE HD1 . 11301 1 581 . 1 1 51 51 PHE HD2 H 1 6.826 0.030 . 1 . . . . 51 PHE HD2 . 11301 1 582 . 1 1 51 51 PHE HE1 H 1 7.290 0.030 . 1 . . . . 51 PHE HE1 . 11301 1 583 . 1 1 51 51 PHE HE2 H 1 7.290 0.030 . 1 . . . . 51 PHE HE2 . 11301 1 584 . 1 1 51 51 PHE HZ H 1 7.288 0.030 . 1 . . . . 51 PHE HZ . 11301 1 585 . 1 1 51 51 PHE C C 13 177.334 0.300 . 1 . . . . 51 PHE C . 11301 1 586 . 1 1 51 51 PHE CA C 13 60.773 0.300 . 1 . . . . 51 PHE CA . 11301 1 587 . 1 1 51 51 PHE CB C 13 38.478 0.300 . 1 . . . . 51 PHE CB . 11301 1 588 . 1 1 51 51 PHE CD1 C 13 131.953 0.300 . 1 . . . . 51 PHE CD1 . 11301 1 589 . 1 1 51 51 PHE CD2 C 13 131.953 0.300 . 1 . . . . 51 PHE CD2 . 11301 1 590 . 1 1 51 51 PHE CE1 C 13 131.215 0.300 . 1 . . . . 51 PHE CE1 . 11301 1 591 . 1 1 51 51 PHE CE2 C 13 131.215 0.300 . 1 . . . . 51 PHE CE2 . 11301 1 592 . 1 1 51 51 PHE CZ C 13 129.902 0.300 . 1 . . . . 51 PHE CZ . 11301 1 593 . 1 1 51 51 PHE N N 15 120.661 0.300 . 1 . . . . 51 PHE N . 11301 1 594 . 1 1 52 52 LEU H H 1 8.117 0.030 . 1 . . . . 52 LEU H . 11301 1 595 . 1 1 52 52 LEU HA H 1 3.517 0.030 . 1 . . . . 52 LEU HA . 11301 1 596 . 1 1 52 52 LEU HB2 H 1 1.783 0.030 . 2 . . . . 52 LEU HB2 . 11301 1 597 . 1 1 52 52 LEU HB3 H 1 1.167 0.030 . 2 . . . . 52 LEU HB3 . 11301 1 598 . 1 1 52 52 LEU HD11 H 1 0.703 0.030 . 1 . . . . 52 LEU HD1 . 11301 1 599 . 1 1 52 52 LEU HD12 H 1 0.703 0.030 . 1 . . . . 52 LEU HD1 . 11301 1 600 . 1 1 52 52 LEU HD13 H 1 0.703 0.030 . 1 . . . . 52 LEU HD1 . 11301 1 601 . 1 1 52 52 LEU HD21 H 1 0.687 0.030 . 1 . . . . 52 LEU HD2 . 11301 1 602 . 1 1 52 52 LEU HD22 H 1 0.687 0.030 . 1 . . . . 52 LEU HD2 . 11301 1 603 . 1 1 52 52 LEU HD23 H 1 0.687 0.030 . 1 . . . . 52 LEU HD2 . 11301 1 604 . 1 1 52 52 LEU HG H 1 1.355 0.030 . 1 . . . . 52 LEU HG . 11301 1 605 . 1 1 52 52 LEU C C 13 180.186 0.300 . 1 . . . . 52 LEU C . 11301 1 606 . 1 1 52 52 LEU CA C 13 57.145 0.300 . 1 . . . . 52 LEU CA . 11301 1 607 . 1 1 52 52 LEU CB C 13 41.376 0.300 . 1 . . . . 52 LEU CB . 11301 1 608 . 1 1 52 52 LEU CD1 C 13 26.398 0.300 . 2 . . . . 52 LEU CD1 . 11301 1 609 . 1 1 52 52 LEU CD2 C 13 21.750 0.300 . 2 . . . . 52 LEU CD2 . 11301 1 610 . 1 1 52 52 LEU CG C 13 26.115 0.300 . 1 . . . . 52 LEU CG . 11301 1 611 . 1 1 52 52 LEU N N 15 120.481 0.300 . 1 . . . . 52 LEU N . 11301 1 612 . 1 1 53 53 LEU H H 1 7.947 0.030 . 1 . . . . 53 LEU H . 11301 1 613 . 1 1 53 53 LEU HA H 1 3.818 0.030 . 1 . . . . 53 LEU HA . 11301 1 614 . 1 1 53 53 LEU HB2 H 1 1.449 0.030 . 2 . . . . 53 LEU HB2 . 11301 1 615 . 1 1 53 53 LEU HB3 H 1 1.306 0.030 . 2 . . . . 53 LEU HB3 . 11301 1 616 . 1 1 53 53 LEU HD11 H 1 0.513 0.030 . 1 . . . . 53 LEU HD1 . 11301 1 617 . 1 1 53 53 LEU HD12 H 1 0.513 0.030 . 1 . . . . 53 LEU HD1 . 11301 1 618 . 1 1 53 53 LEU HD13 H 1 0.513 0.030 . 1 . . . . 53 LEU HD1 . 11301 1 619 . 1 1 53 53 LEU HD21 H 1 0.542 0.030 . 1 . . . . 53 LEU HD2 . 11301 1 620 . 1 1 53 53 LEU HD22 H 1 0.542 0.030 . 1 . . . . 53 LEU HD2 . 11301 1 621 . 1 1 53 53 LEU HD23 H 1 0.542 0.030 . 1 . . . . 53 LEU HD2 . 11301 1 622 . 1 1 53 53 LEU HG H 1 1.226 0.030 . 1 . . . . 53 LEU HG . 11301 1 623 . 1 1 53 53 LEU C C 13 179.491 0.300 . 1 . . . . 53 LEU C . 11301 1 624 . 1 1 53 53 LEU CA C 13 57.250 0.300 . 1 . . . . 53 LEU CA . 11301 1 625 . 1 1 53 53 LEU CB C 13 41.196 0.300 . 1 . . . . 53 LEU CB . 11301 1 626 . 1 1 53 53 LEU CD1 C 13 24.707 0.300 . 2 . . . . 53 LEU CD1 . 11301 1 627 . 1 1 53 53 LEU CD2 C 13 22.461 0.300 . 2 . . . . 53 LEU CD2 . 11301 1 628 . 1 1 53 53 LEU CG C 13 26.929 0.300 . 1 . . . . 53 LEU CG . 11301 1 629 . 1 1 53 53 LEU N N 15 120.977 0.300 . 1 . . . . 53 LEU N . 11301 1 630 . 1 1 54 54 ASP H H 1 7.660 0.030 . 1 . . . . 54 ASP H . 11301 1 631 . 1 1 54 54 ASP HA H 1 4.332 0.030 . 1 . . . . 54 ASP HA . 11301 1 632 . 1 1 54 54 ASP HB2 H 1 2.593 0.030 . 2 . . . . 54 ASP HB2 . 11301 1 633 . 1 1 54 54 ASP HB3 H 1 2.570 0.030 . 2 . . . . 54 ASP HB3 . 11301 1 634 . 1 1 54 54 ASP C C 13 177.914 0.300 . 1 . . . . 54 ASP C . 11301 1 635 . 1 1 54 54 ASP CA C 13 56.424 0.300 . 1 . . . . 54 ASP CA . 11301 1 636 . 1 1 54 54 ASP CB C 13 41.155 0.300 . 1 . . . . 54 ASP CB . 11301 1 637 . 1 1 54 54 ASP N N 15 120.245 0.300 . 1 . . . . 54 ASP N . 11301 1 638 . 1 1 55 55 LYS H H 1 7.820 0.030 . 1 . . . . 55 LYS H . 11301 1 639 . 1 1 55 55 LYS HA H 1 3.857 0.030 . 1 . . . . 55 LYS HA . 11301 1 640 . 1 1 55 55 LYS HB2 H 1 1.590 0.030 . 2 . . . . 55 LYS HB2 . 11301 1 641 . 1 1 55 55 LYS HB3 H 1 1.461 0.030 . 2 . . . . 55 LYS HB3 . 11301 1 642 . 1 1 55 55 LYS HD2 H 1 1.437 0.030 . 1 . . . . 55 LYS HD2 . 11301 1 643 . 1 1 55 55 LYS HD3 H 1 1.437 0.030 . 1 . . . . 55 LYS HD3 . 11301 1 644 . 1 1 55 55 LYS HE2 H 1 2.847 0.030 . 2 . . . . 55 LYS HE2 . 11301 1 645 . 1 1 55 55 LYS HE3 H 1 2.763 0.030 . 2 . . . . 55 LYS HE3 . 11301 1 646 . 1 1 55 55 LYS HG2 H 1 1.170 0.030 . 2 . . . . 55 LYS HG2 . 11301 1 647 . 1 1 55 55 LYS HG3 H 1 1.110 0.030 . 2 . . . . 55 LYS HG3 . 11301 1 648 . 1 1 55 55 LYS C C 13 178.466 0.300 . 1 . . . . 55 LYS C . 11301 1 649 . 1 1 55 55 LYS CA C 13 57.898 0.300 . 1 . . . . 55 LYS CA . 11301 1 650 . 1 1 55 55 LYS CB C 13 31.987 0.300 . 1 . . . . 55 LYS CB . 11301 1 651 . 1 1 55 55 LYS CD C 13 28.927 0.300 . 1 . . . . 55 LYS CD . 11301 1 652 . 1 1 55 55 LYS CE C 13 42.006 0.300 . 1 . . . . 55 LYS CE . 11301 1 653 . 1 1 55 55 LYS CG C 13 24.296 0.300 . 1 . . . . 55 LYS CG . 11301 1 654 . 1 1 55 55 LYS N N 15 119.701 0.300 . 1 . . . . 55 LYS N . 11301 1 655 . 1 1 56 56 ALA H H 1 7.722 0.030 . 1 . . . . 56 ALA H . 11301 1 656 . 1 1 56 56 ALA HA H 1 4.087 0.030 . 1 . . . . 56 ALA HA . 11301 1 657 . 1 1 56 56 ALA HB1 H 1 1.371 0.030 . 1 . . . . 56 ALA HB . 11301 1 658 . 1 1 56 56 ALA HB2 H 1 1.371 0.030 . 1 . . . . 56 ALA HB . 11301 1 659 . 1 1 56 56 ALA HB3 H 1 1.371 0.030 . 1 . . . . 56 ALA HB . 11301 1 660 . 1 1 56 56 ALA C C 13 178.481 0.300 . 1 . . . . 56 ALA C . 11301 1 661 . 1 1 56 56 ALA CA C 13 53.700 0.300 . 1 . . . . 56 ALA CA . 11301 1 662 . 1 1 56 56 ALA CB C 13 18.495 0.300 . 1 . . . . 56 ALA CB . 11301 1 663 . 1 1 56 56 ALA N N 15 121.502 0.300 . 1 . . . . 56 ALA N . 11301 1 664 . 1 1 57 57 ALA H H 1 7.692 0.030 . 1 . . . . 57 ALA H . 11301 1 665 . 1 1 57 57 ALA HA H 1 4.193 0.030 . 1 . . . . 57 ALA HA . 11301 1 666 . 1 1 57 57 ALA HB1 H 1 1.407 0.030 . 1 . . . . 57 ALA HB . 11301 1 667 . 1 1 57 57 ALA HB2 H 1 1.407 0.030 . 1 . . . . 57 ALA HB . 11301 1 668 . 1 1 57 57 ALA HB3 H 1 1.407 0.030 . 1 . . . . 57 ALA HB . 11301 1 669 . 1 1 57 57 ALA CA C 13 53.227 0.300 . 1 . . . . 57 ALA CA . 11301 1 670 . 1 1 57 57 ALA CB C 13 18.665 0.300 . 1 . . . . 57 ALA CB . 11301 1 671 . 1 1 57 57 ALA N N 15 120.754 0.300 . 1 . . . . 57 ALA N . 11301 1 672 . 1 1 58 58 GLN H H 1 7.839 0.030 . 1 . . . . 58 GLN H . 11301 1 673 . 1 1 58 58 GLN HA H 1 4.201 0.030 . 1 . . . . 58 GLN HA . 11301 1 674 . 1 1 58 58 GLN HB2 H 1 2.127 0.030 . 2 . . . . 58 GLN HB2 . 11301 1 675 . 1 1 58 58 GLN HB3 H 1 1.973 0.030 . 2 . . . . 58 GLN HB3 . 11301 1 676 . 1 1 58 58 GLN HE21 H 1 7.454 0.030 . 2 . . . . 58 GLN HE21 . 11301 1 677 . 1 1 58 58 GLN HE22 H 1 6.751 0.030 . 2 . . . . 58 GLN HE22 . 11301 1 678 . 1 1 58 58 GLN HG2 H 1 2.394 0.030 . 2 . . . . 58 GLN HG2 . 11301 1 679 . 1 1 58 58 GLN HG3 H 1 2.363 0.030 . 2 . . . . 58 GLN HG3 . 11301 1 680 . 1 1 58 58 GLN CA C 13 56.246 0.300 . 1 . . . . 58 GLN CA . 11301 1 681 . 1 1 58 58 GLN CB C 13 28.866 0.300 . 1 . . . . 58 GLN CB . 11301 1 682 . 1 1 58 58 GLN CG C 13 33.771 0.300 . 1 . . . . 58 GLN CG . 11301 1 683 . 1 1 58 58 GLN N N 15 117.642 0.300 . 1 . . . . 58 GLN N . 11301 1 684 . 1 1 58 58 GLN NE2 N 15 112.740 0.300 . 1 . . . . 58 GLN NE2 . 11301 1 685 . 1 1 59 59 ARG H H 1 8.032 0.030 . 1 . . . . 59 ARG H . 11301 1 686 . 1 1 59 59 ARG HA H 1 4.276 0.030 . 1 . . . . 59 ARG HA . 11301 1 687 . 1 1 59 59 ARG HB2 H 1 1.858 0.030 . 2 . . . . 59 ARG HB2 . 11301 1 688 . 1 1 59 59 ARG HB3 H 1 1.779 0.030 . 2 . . . . 59 ARG HB3 . 11301 1 689 . 1 1 59 59 ARG HD2 H 1 3.176 0.030 . 1 . . . . 59 ARG HD2 . 11301 1 690 . 1 1 59 59 ARG HD3 H 1 3.176 0.030 . 1 . . . . 59 ARG HD3 . 11301 1 691 . 1 1 59 59 ARG HG2 H 1 1.647 0.030 . 2 . . . . 59 ARG HG2 . 11301 1 692 . 1 1 59 59 ARG HG3 H 1 1.596 0.030 . 2 . . . . 59 ARG HG3 . 11301 1 693 . 1 1 59 59 ARG CA C 13 56.592 0.300 . 1 . . . . 59 ARG CA . 11301 1 694 . 1 1 59 59 ARG CB C 13 30.879 0.300 . 1 . . . . 59 ARG CB . 11301 1 695 . 1 1 59 59 ARG CD C 13 43.390 0.300 . 1 . . . . 59 ARG CD . 11301 1 696 . 1 1 59 59 ARG CG C 13 27.083 0.300 . 1 . . . . 59 ARG CG . 11301 1 697 . 1 1 59 59 ARG N N 15 121.171 0.300 . 1 . . . . 59 ARG N . 11301 1 698 . 1 1 60 60 ASP H H 1 8.312 0.030 . 1 . . . . 60 ASP H . 11301 1 699 . 1 1 60 60 ASP HA H 1 4.634 0.030 . 1 . . . . 60 ASP HA . 11301 1 700 . 1 1 60 60 ASP HB2 H 1 2.735 0.030 . 2 . . . . 60 ASP HB2 . 11301 1 701 . 1 1 60 60 ASP HB3 H 1 2.634 0.030 . 2 . . . . 60 ASP HB3 . 11301 1 702 . 1 1 60 60 ASP CA C 13 54.622 0.300 . 1 . . . . 60 ASP CA . 11301 1 703 . 1 1 60 60 ASP CB C 13 41.245 0.300 . 1 . . . . 60 ASP CB . 11301 1 704 . 1 1 60 60 ASP N N 15 120.931 0.300 . 1 . . . . 60 ASP N . 11301 1 stop_ save_