data_10287 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10287 _Entry.Title ; Solution structure of the second homeobox domain of Zinc fingers and homeoboxes protein 3 (Triple homeobox 1 protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 S. Ohnishi . . . 10287 2 T. Kigawa . . . 10287 3 K. Saito . . . 10287 4 S. Koshiba . . . 10287 5 M. Inoue . . . 10287 6 S. Yokoyama . . . 10287 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 10287 '15N chemical shifts' 69 10287 '1H chemical shifts' 470 10287 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 . . 2009-12-17 2008-12-17 original author . 10287 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DA5 'BMRB Entry Tracking System' 10287 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10287 _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 second homeobox domain of Zinc fingers and homeoboxes protein 3 (Triple homeobox 1 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 S. Ohnishi . . . 10287 1 2 T. Kigawa . . . 10287 1 3 K. Saito . . . 10287 1 4 S. Koshiba . . . 10287 1 5 M. Inoue . . . 10287 1 6 S. Yokoyama . . . 10287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10287 _Assembly.ID 1 _Assembly.Name 'Zinc fingers and homeoboxes protein 3' _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 'The second homeobox domain' 1 $entity_1 . . yes native no no . . . 10287 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 . PDB 2DA5 . . . . . . 10287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10287 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The second homeobox domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPTKYKERAPEQLR ALESSFAQNPLPLDEELDRL RSETKMTRREIDSWFSERRK KVNAEETKKSGPSSG ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 2DA5 . "Solution Structure Of The Second Homeobox Domain Of Zinc Fingers And Homeoboxes Protein 3 (Triple Homeobox 1 Protein)" . . . . . 100.00 75 100.00 100.00 2.42e-44 . . . . 10287 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'The second homeobox domain' . 10287 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 . 10287 1 2 . SER . 10287 1 3 . SER . 10287 1 4 . GLY . 10287 1 5 . SER . 10287 1 6 . SER . 10287 1 7 . GLY . 10287 1 8 . PRO . 10287 1 9 . THR . 10287 1 10 . LYS . 10287 1 11 . TYR . 10287 1 12 . LYS . 10287 1 13 . GLU . 10287 1 14 . ARG . 10287 1 15 . ALA . 10287 1 16 . PRO . 10287 1 17 . GLU . 10287 1 18 . GLN . 10287 1 19 . LEU . 10287 1 20 . ARG . 10287 1 21 . ALA . 10287 1 22 . LEU . 10287 1 23 . GLU . 10287 1 24 . SER . 10287 1 25 . SER . 10287 1 26 . PHE . 10287 1 27 . ALA . 10287 1 28 . GLN . 10287 1 29 . ASN . 10287 1 30 . PRO . 10287 1 31 . LEU . 10287 1 32 . PRO . 10287 1 33 . LEU . 10287 1 34 . ASP . 10287 1 35 . GLU . 10287 1 36 . GLU . 10287 1 37 . LEU . 10287 1 38 . ASP . 10287 1 39 . ARG . 10287 1 40 . LEU . 10287 1 41 . ARG . 10287 1 42 . SER . 10287 1 43 . GLU . 10287 1 44 . THR . 10287 1 45 . LYS . 10287 1 46 . MET . 10287 1 47 . THR . 10287 1 48 . ARG . 10287 1 49 . ARG . 10287 1 50 . GLU . 10287 1 51 . ILE . 10287 1 52 . ASP . 10287 1 53 . SER . 10287 1 54 . TRP . 10287 1 55 . PHE . 10287 1 56 . SER . 10287 1 57 . GLU . 10287 1 58 . ARG . 10287 1 59 . ARG . 10287 1 60 . LYS . 10287 1 61 . LYS . 10287 1 62 . VAL . 10287 1 63 . ASN . 10287 1 64 . ALA . 10287 1 65 . GLU . 10287 1 66 . GLU . 10287 1 67 . THR . 10287 1 68 . LYS . 10287 1 69 . LYS . 10287 1 70 . SER . 10287 1 71 . GLY . 10287 1 72 . PRO . 10287 1 73 . SER . 10287 1 74 . SER . 10287 1 75 . GLY . 10287 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 10287 1 . SER 2 2 10287 1 . SER 3 3 10287 1 . GLY 4 4 10287 1 . SER 5 5 10287 1 . SER 6 6 10287 1 . GLY 7 7 10287 1 . PRO 8 8 10287 1 . THR 9 9 10287 1 . LYS 10 10 10287 1 . TYR 11 11 10287 1 . LYS 12 12 10287 1 . GLU 13 13 10287 1 . ARG 14 14 10287 1 . ALA 15 15 10287 1 . PRO 16 16 10287 1 . GLU 17 17 10287 1 . GLN 18 18 10287 1 . LEU 19 19 10287 1 . ARG 20 20 10287 1 . ALA 21 21 10287 1 . LEU 22 22 10287 1 . GLU 23 23 10287 1 . SER 24 24 10287 1 . SER 25 25 10287 1 . PHE 26 26 10287 1 . ALA 27 27 10287 1 . GLN 28 28 10287 1 . ASN 29 29 10287 1 . PRO 30 30 10287 1 . LEU 31 31 10287 1 . PRO 32 32 10287 1 . LEU 33 33 10287 1 . ASP 34 34 10287 1 . GLU 35 35 10287 1 . GLU 36 36 10287 1 . LEU 37 37 10287 1 . ASP 38 38 10287 1 . ARG 39 39 10287 1 . LEU 40 40 10287 1 . ARG 41 41 10287 1 . SER 42 42 10287 1 . GLU 43 43 10287 1 . THR 44 44 10287 1 . LYS 45 45 10287 1 . MET 46 46 10287 1 . THR 47 47 10287 1 . ARG 48 48 10287 1 . ARG 49 49 10287 1 . GLU 50 50 10287 1 . ILE 51 51 10287 1 . ASP 52 52 10287 1 . SER 53 53 10287 1 . TRP 54 54 10287 1 . PHE 55 55 10287 1 . SER 56 56 10287 1 . GLU 57 57 10287 1 . ARG 58 58 10287 1 . ARG 59 59 10287 1 . LYS 60 60 10287 1 . LYS 61 61 10287 1 . VAL 62 62 10287 1 . ASN 63 63 10287 1 . ALA 64 64 10287 1 . GLU 65 65 10287 1 . GLU 66 66 10287 1 . THR 67 67 10287 1 . LYS 68 68 10287 1 . LYS 69 69 10287 1 . SER 70 70 10287 1 . GLY 71 71 10287 1 . PRO 72 72 10287 1 . SER 73 73 10287 1 . SER 74 74 10287 1 . GLY 75 75 10287 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 10287 _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 . . . . . . . . . . . . . . . . . . . . . 10287 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 10287 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P050404-23 . . . . . . 10287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10287 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'The second homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.2 . . mM . . . . 10287 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10287 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10287 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10287 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10287 1 6 H2O . . . . . . solvent 90 . . % . . . . 10287 1 7 D2O . . . . . . solvent 10 . . % . . . . 10287 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 10287 _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 10287 1 pH 7.0 0.05 pH 10287 1 pressure 1 0.001 atm 10287 1 temperature 298 0.1 K 10287 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10287 _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 . . 10287 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10287 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10287 _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.' . . 10287 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10287 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10287 _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.' . . 10287 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10287 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10287 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10287 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10287 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10287 _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.' . . 10287 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10287 5 'structure solution' 10287 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 10287 _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 10287 _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 . . . 10287 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 10287 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10287 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10287 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 10287 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 98K) 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 . . . . . . . . . 10287 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10287 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10287 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 10287 _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 13C-separated NOESY' 1 $sample_1 isotropic 10287 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10287 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 7 7 GLY HA2 H 1 4.146 0.030 . 2 . . . . 7 GLY HA2 . 10287 1 2 . 1 1 7 7 GLY CA C 13 44.691 0.300 . 1 . . . . 7 GLY CA . 10287 1 3 . 1 1 8 8 PRO HA H 1 4.512 0.030 . 1 . . . . 8 PRO HA . 10287 1 4 . 1 1 8 8 PRO HB2 H 1 1.952 0.030 . 2 . . . . 8 PRO HB2 . 10287 1 5 . 1 1 8 8 PRO HB3 H 1 2.319 0.030 . 2 . . . . 8 PRO HB3 . 10287 1 6 . 1 1 8 8 PRO HD2 H 1 3.658 0.030 . 1 . . . . 8 PRO HD2 . 10287 1 7 . 1 1 8 8 PRO HD3 H 1 3.658 0.030 . 1 . . . . 8 PRO HD3 . 10287 1 8 . 1 1 8 8 PRO HG2 H 1 2.037 0.030 . 1 . . . . 8 PRO HG2 . 10287 1 9 . 1 1 8 8 PRO HG3 H 1 2.037 0.030 . 1 . . . . 8 PRO HG3 . 10287 1 10 . 1 1 8 8 PRO C C 13 177.365 0.300 . 1 . . . . 8 PRO C . 10287 1 11 . 1 1 8 8 PRO CA C 13 63.297 0.300 . 1 . . . . 8 PRO CA . 10287 1 12 . 1 1 8 8 PRO CB C 13 32.239 0.300 . 1 . . . . 8 PRO CB . 10287 1 13 . 1 1 8 8 PRO CD C 13 49.853 0.300 . 1 . . . . 8 PRO CD . 10287 1 14 . 1 1 8 8 PRO CG C 13 27.198 0.300 . 1 . . . . 8 PRO CG . 10287 1 15 . 1 1 9 9 THR H H 1 8.295 0.030 . 1 . . . . 9 THR H . 10287 1 16 . 1 1 9 9 THR HA H 1 4.271 0.030 . 1 . . . . 9 THR HA . 10287 1 17 . 1 1 9 9 THR HB H 1 4.140 0.030 . 1 . . . . 9 THR HB . 10287 1 18 . 1 1 9 9 THR HG21 H 1 1.167 0.030 . 1 . . . . 9 THR HG2 . 10287 1 19 . 1 1 9 9 THR HG22 H 1 1.167 0.030 . 1 . . . . 9 THR HG2 . 10287 1 20 . 1 1 9 9 THR HG23 H 1 1.167 0.030 . 1 . . . . 9 THR HG2 . 10287 1 21 . 1 1 9 9 THR C C 13 174.452 0.300 . 1 . . . . 9 THR C . 10287 1 22 . 1 1 9 9 THR CA C 13 62.276 0.300 . 1 . . . . 9 THR CA . 10287 1 23 . 1 1 9 9 THR CB C 13 69.790 0.300 . 1 . . . . 9 THR CB . 10287 1 24 . 1 1 9 9 THR CG2 C 13 21.721 0.300 . 1 . . . . 9 THR CG2 . 10287 1 25 . 1 1 9 9 THR N N 15 114.885 0.300 . 1 . . . . 9 THR N . 10287 1 26 . 1 1 10 10 LYS H H 1 8.284 0.030 . 1 . . . . 10 LYS H . 10287 1 27 . 1 1 10 10 LYS HA H 1 4.281 0.030 . 1 . . . . 10 LYS HA . 10287 1 28 . 1 1 10 10 LYS HB2 H 1 1.679 0.030 . 1 . . . . 10 LYS HB2 . 10287 1 29 . 1 1 10 10 LYS HB3 H 1 1.679 0.030 . 1 . . . . 10 LYS HB3 . 10287 1 30 . 1 1 10 10 LYS HD2 H 1 1.646 0.030 . 1 . . . . 10 LYS HD2 . 10287 1 31 . 1 1 10 10 LYS HD3 H 1 1.646 0.030 . 1 . . . . 10 LYS HD3 . 10287 1 32 . 1 1 10 10 LYS HE2 H 1 2.975 0.030 . 2 . . . . 10 LYS HE2 . 10287 1 33 . 1 1 10 10 LYS HG2 H 1 1.295 0.030 . 1 . . . . 10 LYS HG2 . 10287 1 34 . 1 1 10 10 LYS HG3 H 1 1.295 0.030 . 1 . . . . 10 LYS HG3 . 10287 1 35 . 1 1 10 10 LYS C C 13 176.103 0.300 . 1 . . . . 10 LYS C . 10287 1 36 . 1 1 10 10 LYS CA C 13 56.316 0.300 . 1 . . . . 10 LYS CA . 10287 1 37 . 1 1 10 10 LYS CB C 13 33.062 0.300 . 1 . . . . 10 LYS CB . 10287 1 38 . 1 1 10 10 LYS CD C 13 29.069 0.300 . 1 . . . . 10 LYS CD . 10287 1 39 . 1 1 10 10 LYS CE C 13 42.142 0.300 . 1 . . . . 10 LYS CE . 10287 1 40 . 1 1 10 10 LYS CG C 13 24.625 0.300 . 1 . . . . 10 LYS CG . 10287 1 41 . 1 1 10 10 LYS N N 15 123.812 0.300 . 1 . . . . 10 LYS N . 10287 1 42 . 1 1 11 11 TYR H H 1 8.198 0.030 . 1 . . . . 11 TYR H . 10287 1 43 . 1 1 11 11 TYR HA H 1 4.569 0.030 . 1 . . . . 11 TYR HA . 10287 1 44 . 1 1 11 11 TYR HB2 H 1 2.957 0.030 . 2 . . . . 11 TYR HB2 . 10287 1 45 . 1 1 11 11 TYR HB3 H 1 3.054 0.030 . 2 . . . . 11 TYR HB3 . 10287 1 46 . 1 1 11 11 TYR HD1 H 1 7.140 0.030 . 1 . . . . 11 TYR HD1 . 10287 1 47 . 1 1 11 11 TYR HD2 H 1 7.140 0.030 . 1 . . . . 11 TYR HD2 . 10287 1 48 . 1 1 11 11 TYR HE1 H 1 6.845 0.030 . 1 . . . . 11 TYR HE1 . 10287 1 49 . 1 1 11 11 TYR HE2 H 1 6.845 0.030 . 1 . . . . 11 TYR HE2 . 10287 1 50 . 1 1 11 11 TYR C C 13 175.496 0.300 . 1 . . . . 11 TYR C . 10287 1 51 . 1 1 11 11 TYR CA C 13 58.044 0.300 . 1 . . . . 11 TYR CA . 10287 1 52 . 1 1 11 11 TYR CB C 13 38.842 0.300 . 1 . . . . 11 TYR CB . 10287 1 53 . 1 1 11 11 TYR CD1 C 13 133.239 0.300 . 1 . . . . 11 TYR CD1 . 10287 1 54 . 1 1 11 11 TYR CD2 C 13 133.239 0.300 . 1 . . . . 11 TYR CD2 . 10287 1 55 . 1 1 11 11 TYR CE1 C 13 118.228 0.300 . 1 . . . . 11 TYR CE1 . 10287 1 56 . 1 1 11 11 TYR CE2 C 13 118.228 0.300 . 1 . . . . 11 TYR CE2 . 10287 1 57 . 1 1 11 11 TYR N N 15 121.375 0.300 . 1 . . . . 11 TYR N . 10287 1 58 . 1 1 12 12 LYS H H 1 8.168 0.030 . 1 . . . . 12 LYS H . 10287 1 59 . 1 1 12 12 LYS HA H 1 4.255 0.030 . 1 . . . . 12 LYS HA . 10287 1 60 . 1 1 12 12 LYS HB2 H 1 1.794 0.030 . 2 . . . . 12 LYS HB2 . 10287 1 61 . 1 1 12 12 LYS HB3 H 1 1.721 0.030 . 2 . . . . 12 LYS HB3 . 10287 1 62 . 1 1 12 12 LYS HD2 H 1 1.702 0.030 . 1 . . . . 12 LYS HD2 . 10287 1 63 . 1 1 12 12 LYS HD3 H 1 1.702 0.030 . 1 . . . . 12 LYS HD3 . 10287 1 64 . 1 1 12 12 LYS HE2 H 1 3.017 0.030 . 1 . . . . 12 LYS HE2 . 10287 1 65 . 1 1 12 12 LYS HE3 H 1 3.017 0.030 . 1 . . . . 12 LYS HE3 . 10287 1 66 . 1 1 12 12 LYS HG2 H 1 1.392 0.030 . 1 . . . . 12 LYS HG2 . 10287 1 67 . 1 1 12 12 LYS HG3 H 1 1.392 0.030 . 1 . . . . 12 LYS HG3 . 10287 1 68 . 1 1 12 12 LYS C C 13 175.861 0.300 . 1 . . . . 12 LYS C . 10287 1 69 . 1 1 12 12 LYS CA C 13 56.050 0.300 . 1 . . . . 12 LYS CA . 10287 1 70 . 1 1 12 12 LYS CB C 13 33.145 0.300 . 1 . . . . 12 LYS CB . 10287 1 71 . 1 1 12 12 LYS CD C 13 29.157 0.300 . 1 . . . . 12 LYS CD . 10287 1 72 . 1 1 12 12 LYS CE C 13 42.164 0.300 . 1 . . . . 12 LYS CE . 10287 1 73 . 1 1 12 12 LYS CG C 13 24.790 0.300 . 1 . . . . 12 LYS CG . 10287 1 74 . 1 1 12 12 LYS N N 15 123.375 0.300 . 1 . . . . 12 LYS N . 10287 1 75 . 1 1 13 13 GLU H H 1 8.386 0.030 . 1 . . . . 13 GLU H . 10287 1 76 . 1 1 13 13 GLU HA H 1 4.285 0.030 . 1 . . . . 13 GLU HA . 10287 1 77 . 1 1 13 13 GLU HB2 H 1 2.055 0.030 . 2 . . . . 13 GLU HB2 . 10287 1 78 . 1 1 13 13 GLU HB3 H 1 1.957 0.030 . 2 . . . . 13 GLU HB3 . 10287 1 79 . 1 1 13 13 GLU HG2 H 1 2.324 0.030 . 1 . . . . 13 GLU HG2 . 10287 1 80 . 1 1 13 13 GLU HG3 H 1 2.324 0.030 . 1 . . . . 13 GLU HG3 . 10287 1 81 . 1 1 13 13 GLU C C 13 176.419 0.300 . 1 . . . . 13 GLU C . 10287 1 82 . 1 1 13 13 GLU CA C 13 56.519 0.300 . 1 . . . . 13 GLU CA . 10287 1 83 . 1 1 13 13 GLU CB C 13 30.261 0.300 . 1 . . . . 13 GLU CB . 10287 1 84 . 1 1 13 13 GLU CG C 13 36.325 0.300 . 1 . . . . 13 GLU CG . 10287 1 85 . 1 1 13 13 GLU N N 15 122.385 0.300 . 1 . . . . 13 GLU N . 10287 1 86 . 1 1 14 14 ARG H H 1 8.451 0.030 . 1 . . . . 14 ARG H . 10287 1 87 . 1 1 14 14 ARG HA H 1 4.424 0.030 . 1 . . . . 14 ARG HA . 10287 1 88 . 1 1 14 14 ARG HB2 H 1 1.828 0.030 . 2 . . . . 14 ARG HB2 . 10287 1 89 . 1 1 14 14 ARG HB3 H 1 1.796 0.030 . 2 . . . . 14 ARG HB3 . 10287 1 90 . 1 1 14 14 ARG HD2 H 1 3.125 0.030 . 2 . . . . 14 ARG HD2 . 10287 1 91 . 1 1 14 14 ARG HD3 H 1 3.160 0.030 . 2 . . . . 14 ARG HD3 . 10287 1 92 . 1 1 14 14 ARG HG2 H 1 1.687 0.030 . 2 . . . . 14 ARG HG2 . 10287 1 93 . 1 1 14 14 ARG HG3 H 1 1.744 0.030 . 2 . . . . 14 ARG HG3 . 10287 1 94 . 1 1 14 14 ARG C C 13 175.230 0.300 . 1 . . . . 14 ARG C . 10287 1 95 . 1 1 14 14 ARG CA C 13 55.188 0.300 . 1 . . . . 14 ARG CA . 10287 1 96 . 1 1 14 14 ARG CB C 13 31.003 0.300 . 1 . . . . 14 ARG CB . 10287 1 97 . 1 1 14 14 ARG CD C 13 43.163 0.300 . 1 . . . . 14 ARG CD . 10287 1 98 . 1 1 14 14 ARG CG C 13 27.015 0.300 . 1 . . . . 14 ARG CG . 10287 1 99 . 1 1 14 14 ARG N N 15 121.822 0.300 . 1 . . . . 14 ARG N . 10287 1 100 . 1 1 15 15 ALA H H 1 8.444 0.030 . 1 . . . . 15 ALA H . 10287 1 101 . 1 1 15 15 ALA HA H 1 4.633 0.030 . 1 . . . . 15 ALA HA . 10287 1 102 . 1 1 15 15 ALA HB1 H 1 1.497 0.030 . 1 . . . . 15 ALA HB . 10287 1 103 . 1 1 15 15 ALA HB2 H 1 1.497 0.030 . 1 . . . . 15 ALA HB . 10287 1 104 . 1 1 15 15 ALA HB3 H 1 1.497 0.030 . 1 . . . . 15 ALA HB . 10287 1 105 . 1 1 15 15 ALA C C 13 176.808 0.300 . 1 . . . . 15 ALA C . 10287 1 106 . 1 1 15 15 ALA CA C 13 50.852 0.300 . 1 . . . . 15 ALA CA . 10287 1 107 . 1 1 15 15 ALA CB C 13 17.938 0.300 . 1 . . . . 15 ALA CB . 10287 1 108 . 1 1 15 15 ALA N N 15 125.225 0.300 . 1 . . . . 15 ALA N . 10287 1 109 . 1 1 16 16 PRO HA H 1 4.240 0.030 . 1 . . . . 16 PRO HA . 10287 1 110 . 1 1 16 16 PRO HB2 H 1 1.965 0.030 . 2 . . . . 16 PRO HB2 . 10287 1 111 . 1 1 16 16 PRO HB3 H 1 2.421 0.030 . 2 . . . . 16 PRO HB3 . 10287 1 112 . 1 1 16 16 PRO HD2 H 1 3.931 0.030 . 2 . . . . 16 PRO HD2 . 10287 1 113 . 1 1 16 16 PRO HD3 H 1 3.844 0.030 . 2 . . . . 16 PRO HD3 . 10287 1 114 . 1 1 16 16 PRO HG2 H 1 2.116 0.030 . 2 . . . . 16 PRO HG2 . 10287 1 115 . 1 1 16 16 PRO HG3 H 1 2.229 0.030 . 2 . . . . 16 PRO HG3 . 10287 1 116 . 1 1 16 16 PRO C C 13 178.993 0.300 . 1 . . . . 16 PRO C . 10287 1 117 . 1 1 16 16 PRO CA C 13 65.731 0.300 . 1 . . . . 16 PRO CA . 10287 1 118 . 1 1 16 16 PRO CB C 13 31.966 0.300 . 1 . . . . 16 PRO CB . 10287 1 119 . 1 1 16 16 PRO CD C 13 50.498 0.300 . 1 . . . . 16 PRO CD . 10287 1 120 . 1 1 16 16 PRO CG C 13 27.817 0.300 . 1 . . . . 16 PRO CG . 10287 1 121 . 1 1 17 17 GLU H H 1 9.453 0.030 . 1 . . . . 17 GLU H . 10287 1 122 . 1 1 17 17 GLU HA H 1 4.051 0.030 . 1 . . . . 17 GLU HA . 10287 1 123 . 1 1 17 17 GLU HB2 H 1 2.054 0.030 . 1 . . . . 17 GLU HB2 . 10287 1 124 . 1 1 17 17 GLU HB3 H 1 2.054 0.030 . 1 . . . . 17 GLU HB3 . 10287 1 125 . 1 1 17 17 GLU HG2 H 1 2.361 0.030 . 1 . . . . 17 GLU HG2 . 10287 1 126 . 1 1 17 17 GLU HG3 H 1 2.361 0.030 . 1 . . . . 17 GLU HG3 . 10287 1 127 . 1 1 17 17 GLU C C 13 179.550 0.300 . 1 . . . . 17 GLU C . 10287 1 128 . 1 1 17 17 GLU CA C 13 59.568 0.300 . 1 . . . . 17 GLU CA . 10287 1 129 . 1 1 17 17 GLU CB C 13 28.613 0.300 . 1 . . . . 17 GLU CB . 10287 1 130 . 1 1 17 17 GLU CG C 13 36.383 0.300 . 1 . . . . 17 GLU CG . 10287 1 131 . 1 1 17 17 GLU N N 15 116.527 0.300 . 1 . . . . 17 GLU N . 10287 1 132 . 1 1 18 18 GLN H H 1 7.529 0.030 . 1 . . . . 18 GLN H . 10287 1 133 . 1 1 18 18 GLN HA H 1 4.036 0.030 . 1 . . . . 18 GLN HA . 10287 1 134 . 1 1 18 18 GLN HB2 H 1 1.917 0.030 . 2 . . . . 18 GLN HB2 . 10287 1 135 . 1 1 18 18 GLN HB3 H 1 2.460 0.030 . 2 . . . . 18 GLN HB3 . 10287 1 136 . 1 1 18 18 GLN HE21 H 1 7.870 0.030 . 2 . . . . 18 GLN HE21 . 10287 1 137 . 1 1 18 18 GLN HE22 H 1 7.078 0.030 . 2 . . . . 18 GLN HE22 . 10287 1 138 . 1 1 18 18 GLN HG2 H 1 2.356 0.030 . 2 . . . . 18 GLN HG2 . 10287 1 139 . 1 1 18 18 GLN HG3 H 1 2.508 0.030 . 2 . . . . 18 GLN HG3 . 10287 1 140 . 1 1 18 18 GLN C C 13 176.977 0.300 . 1 . . . . 18 GLN C . 10287 1 141 . 1 1 18 18 GLN CA C 13 58.785 0.300 . 1 . . . . 18 GLN CA . 10287 1 142 . 1 1 18 18 GLN CB C 13 28.860 0.300 . 1 . . . . 18 GLN CB . 10287 1 143 . 1 1 18 18 GLN CG C 13 35.011 0.300 . 1 . . . . 18 GLN CG . 10287 1 144 . 1 1 18 18 GLN N N 15 119.048 0.300 . 1 . . . . 18 GLN N . 10287 1 145 . 1 1 18 18 GLN NE2 N 15 112.892 0.300 . 1 . . . . 18 GLN NE2 . 10287 1 146 . 1 1 19 19 LEU H H 1 7.664 0.030 . 1 . . . . 19 LEU H . 10287 1 147 . 1 1 19 19 LEU HA H 1 3.755 0.030 . 1 . . . . 19 LEU HA . 10287 1 148 . 1 1 19 19 LEU HB2 H 1 1.659 0.030 . 1 . . . . 19 LEU HB2 . 10287 1 149 . 1 1 19 19 LEU HB3 H 1 1.659 0.030 . 1 . . . . 19 LEU HB3 . 10287 1 150 . 1 1 19 19 LEU HD11 H 1 0.993 0.030 . 1 . . . . 19 LEU HD1 . 10287 1 151 . 1 1 19 19 LEU HD12 H 1 0.993 0.030 . 1 . . . . 19 LEU HD1 . 10287 1 152 . 1 1 19 19 LEU HD13 H 1 0.993 0.030 . 1 . . . . 19 LEU HD1 . 10287 1 153 . 1 1 19 19 LEU HD21 H 1 0.906 0.030 . 1 . . . . 19 LEU HD2 . 10287 1 154 . 1 1 19 19 LEU HD22 H 1 0.906 0.030 . 1 . . . . 19 LEU HD2 . 10287 1 155 . 1 1 19 19 LEU HD23 H 1 0.906 0.030 . 1 . . . . 19 LEU HD2 . 10287 1 156 . 1 1 19 19 LEU HG H 1 1.594 0.030 . 1 . . . . 19 LEU HG . 10287 1 157 . 1 1 19 19 LEU C C 13 178.410 0.300 . 1 . . . . 19 LEU C . 10287 1 158 . 1 1 19 19 LEU CA C 13 57.516 0.300 . 1 . . . . 19 LEU CA . 10287 1 159 . 1 1 19 19 LEU CB C 13 41.276 0.300 . 1 . . . . 19 LEU CB . 10287 1 160 . 1 1 19 19 LEU CD1 C 13 24.890 0.300 . 2 . . . . 19 LEU CD1 . 10287 1 161 . 1 1 19 19 LEU CD2 C 13 23.471 0.300 . 2 . . . . 19 LEU CD2 . 10287 1 162 . 1 1 19 19 LEU CG C 13 26.738 0.300 . 1 . . . . 19 LEU CG . 10287 1 163 . 1 1 19 19 LEU N N 15 117.171 0.300 . 1 . . . . 19 LEU N . 10287 1 164 . 1 1 20 20 ARG H H 1 8.188 0.030 . 1 . . . . 20 ARG H . 10287 1 165 . 1 1 20 20 ARG HA H 1 3.998 0.030 . 1 . . . . 20 ARG HA . 10287 1 166 . 1 1 20 20 ARG HB2 H 1 1.804 0.030 . 2 . . . . 20 ARG HB2 . 10287 1 167 . 1 1 20 20 ARG HB3 H 1 1.857 0.030 . 2 . . . . 20 ARG HB3 . 10287 1 168 . 1 1 20 20 ARG HD2 H 1 3.223 0.030 . 1 . . . . 20 ARG HD2 . 10287 1 169 . 1 1 20 20 ARG HD3 H 1 3.223 0.030 . 1 . . . . 20 ARG HD3 . 10287 1 170 . 1 1 20 20 ARG HG2 H 1 1.608 0.030 . 2 . . . . 20 ARG HG2 . 10287 1 171 . 1 1 20 20 ARG HG3 H 1 1.742 0.030 . 2 . . . . 20 ARG HG3 . 10287 1 172 . 1 1 20 20 ARG C C 13 178.993 0.300 . 1 . . . . 20 ARG C . 10287 1 173 . 1 1 20 20 ARG CA C 13 59.333 0.300 . 1 . . . . 20 ARG CA . 10287 1 174 . 1 1 20 20 ARG CB C 13 30.096 0.300 . 1 . . . . 20 ARG CB . 10287 1 175 . 1 1 20 20 ARG CD C 13 43.413 0.300 . 1 . . . . 20 ARG CD . 10287 1 176 . 1 1 20 20 ARG CG C 13 27.262 0.300 . 1 . . . . 20 ARG CG . 10287 1 177 . 1 1 20 20 ARG N N 15 117.090 0.300 . 1 . . . . 20 ARG N . 10287 1 178 . 1 1 21 21 ALA H H 1 7.176 0.030 . 1 . . . . 21 ALA H . 10287 1 179 . 1 1 21 21 ALA HA H 1 4.092 0.030 . 1 . . . . 21 ALA HA . 10287 1 180 . 1 1 21 21 ALA HB1 H 1 1.354 0.030 . 1 . . . . 21 ALA HB . 10287 1 181 . 1 1 21 21 ALA HB2 H 1 1.354 0.030 . 1 . . . . 21 ALA HB . 10287 1 182 . 1 1 21 21 ALA HB3 H 1 1.354 0.030 . 1 . . . . 21 ALA HB . 10287 1 183 . 1 1 21 21 ALA C C 13 180.571 0.300 . 1 . . . . 21 ALA C . 10287 1 184 . 1 1 21 21 ALA CA C 13 54.941 0.300 . 1 . . . . 21 ALA CA . 10287 1 185 . 1 1 21 21 ALA CB C 13 17.858 0.300 . 1 . . . . 21 ALA CB . 10287 1 186 . 1 1 21 21 ALA N N 15 121.201 0.300 . 1 . . . . 21 ALA N . 10287 1 187 . 1 1 22 22 LEU H H 1 7.528 0.030 . 1 . . . . 22 LEU H . 10287 1 188 . 1 1 22 22 LEU HA H 1 3.576 0.030 . 1 . . . . 22 LEU HA . 10287 1 189 . 1 1 22 22 LEU HB2 H 1 -0.842 0.030 . 2 . . . . 22 LEU HB2 . 10287 1 190 . 1 1 22 22 LEU HB3 H 1 0.678 0.030 . 2 . . . . 22 LEU HB3 . 10287 1 191 . 1 1 22 22 LEU HD11 H 1 -0.282 0.030 . 1 . . . . 22 LEU HD1 . 10287 1 192 . 1 1 22 22 LEU HD12 H 1 -0.282 0.030 . 1 . . . . 22 LEU HD1 . 10287 1 193 . 1 1 22 22 LEU HD13 H 1 -0.282 0.030 . 1 . . . . 22 LEU HD1 . 10287 1 194 . 1 1 22 22 LEU HD21 H 1 0.585 0.030 . 1 . . . . 22 LEU HD2 . 10287 1 195 . 1 1 22 22 LEU HD22 H 1 0.585 0.030 . 1 . . . . 22 LEU HD2 . 10287 1 196 . 1 1 22 22 LEU HD23 H 1 0.585 0.030 . 1 . . . . 22 LEU HD2 . 10287 1 197 . 1 1 22 22 LEU HG H 1 1.361 0.030 . 1 . . . . 22 LEU HG . 10287 1 198 . 1 1 22 22 LEU C C 13 177.779 0.300 . 1 . . . . 22 LEU C . 10287 1 199 . 1 1 22 22 LEU CA C 13 58.185 0.300 . 1 . . . . 22 LEU CA . 10287 1 200 . 1 1 22 22 LEU CB C 13 38.666 0.300 . 1 . . . . 22 LEU CB . 10287 1 201 . 1 1 22 22 LEU CD1 C 13 23.762 0.300 . 2 . . . . 22 LEU CD1 . 10287 1 202 . 1 1 22 22 LEU CD2 C 13 22.678 0.300 . 2 . . . . 22 LEU CD2 . 10287 1 203 . 1 1 22 22 LEU CG C 13 25.886 0.300 . 1 . . . . 22 LEU CG . 10287 1 204 . 1 1 22 22 LEU N N 15 119.669 0.300 . 1 . . . . 22 LEU N . 10287 1 205 . 1 1 23 23 GLU H H 1 8.516 0.030 . 1 . . . . 23 GLU H . 10287 1 206 . 1 1 23 23 GLU HA H 1 4.221 0.030 . 1 . . . . 23 GLU HA . 10287 1 207 . 1 1 23 23 GLU HB2 H 1 2.088 0.030 . 1 . . . . 23 GLU HB2 . 10287 1 208 . 1 1 23 23 GLU HB3 H 1 2.088 0.030 . 1 . . . . 23 GLU HB3 . 10287 1 209 . 1 1 23 23 GLU HG2 H 1 2.454 0.030 . 1 . . . . 23 GLU HG2 . 10287 1 210 . 1 1 23 23 GLU HG3 H 1 2.454 0.030 . 1 . . . . 23 GLU HG3 . 10287 1 211 . 1 1 23 23 GLU C C 13 180.352 0.300 . 1 . . . . 23 GLU C . 10287 1 212 . 1 1 23 23 GLU CA C 13 59.489 0.300 . 1 . . . . 23 GLU CA . 10287 1 213 . 1 1 23 23 GLU CB C 13 29.317 0.300 . 1 . . . . 23 GLU CB . 10287 1 214 . 1 1 23 23 GLU CG C 13 35.831 0.300 . 1 . . . . 23 GLU CG . 10287 1 215 . 1 1 23 23 GLU N N 15 117.420 0.300 . 1 . . . . 23 GLU N . 10287 1 216 . 1 1 24 24 SER H H 1 8.209 0.030 . 1 . . . . 24 SER H . 10287 1 217 . 1 1 24 24 SER HA H 1 4.303 0.030 . 1 . . . . 24 SER HA . 10287 1 218 . 1 1 24 24 SER HB2 H 1 3.994 0.030 . 2 . . . . 24 SER HB2 . 10287 1 219 . 1 1 24 24 SER HB3 H 1 3.948 0.030 . 2 . . . . 24 SER HB3 . 10287 1 220 . 1 1 24 24 SER C C 13 176.710 0.300 . 1 . . . . 24 SER C . 10287 1 221 . 1 1 24 24 SER CA C 13 61.852 0.300 . 1 . . . . 24 SER CA . 10287 1 222 . 1 1 24 24 SER CB C 13 62.767 0.300 . 1 . . . . 24 SER CB . 10287 1 223 . 1 1 24 24 SER N N 15 114.551 0.300 . 1 . . . . 24 SER N . 10287 1 224 . 1 1 25 25 SER H H 1 7.396 0.030 . 1 . . . . 25 SER H . 10287 1 225 . 1 1 25 25 SER HA H 1 4.388 0.030 . 1 . . . . 25 SER HA . 10287 1 226 . 1 1 25 25 SER HB2 H 1 4.046 0.030 . 2 . . . . 25 SER HB2 . 10287 1 227 . 1 1 25 25 SER HB3 H 1 4.297 0.030 . 2 . . . . 25 SER HB3 . 10287 1 228 . 1 1 25 25 SER C C 13 177.415 0.300 . 1 . . . . 25 SER C . 10287 1 229 . 1 1 25 25 SER CA C 13 61.428 0.300 . 1 . . . . 25 SER CA . 10287 1 230 . 1 1 25 25 SER CB C 13 63.319 0.300 . 1 . . . . 25 SER CB . 10287 1 231 . 1 1 25 25 SER N N 15 115.081 0.300 . 1 . . . . 25 SER N . 10287 1 232 . 1 1 26 26 PHE H H 1 9.019 0.030 . 1 . . . . 26 PHE H . 10287 1 233 . 1 1 26 26 PHE HA H 1 4.201 0.030 . 1 . . . . 26 PHE HA . 10287 1 234 . 1 1 26 26 PHE HB2 H 1 3.216 0.030 . 2 . . . . 26 PHE HB2 . 10287 1 235 . 1 1 26 26 PHE HB3 H 1 3.253 0.030 . 2 . . . . 26 PHE HB3 . 10287 1 236 . 1 1 26 26 PHE HD1 H 1 7.283 0.030 . 1 . . . . 26 PHE HD1 . 10287 1 237 . 1 1 26 26 PHE HD2 H 1 7.283 0.030 . 1 . . . . 26 PHE HD2 . 10287 1 238 . 1 1 26 26 PHE HE1 H 1 7.350 0.030 . 1 . . . . 26 PHE HE1 . 10287 1 239 . 1 1 26 26 PHE HE2 H 1 7.350 0.030 . 1 . . . . 26 PHE HE2 . 10287 1 240 . 1 1 26 26 PHE HZ H 1 7.137 0.030 . 1 . . . . 26 PHE HZ . 10287 1 241 . 1 1 26 26 PHE C C 13 176.419 0.300 . 1 . . . . 26 PHE C . 10287 1 242 . 1 1 26 26 PHE CA C 13 62.239 0.300 . 1 . . . . 26 PHE CA . 10287 1 243 . 1 1 26 26 PHE CB C 13 39.437 0.300 . 1 . . . . 26 PHE CB . 10287 1 244 . 1 1 26 26 PHE CD1 C 13 131.995 0.300 . 1 . . . . 26 PHE CD1 . 10287 1 245 . 1 1 26 26 PHE CD2 C 13 131.995 0.300 . 1 . . . . 26 PHE CD2 . 10287 1 246 . 1 1 26 26 PHE CE1 C 13 131.399 0.300 . 1 . . . . 26 PHE CE1 . 10287 1 247 . 1 1 26 26 PHE CE2 C 13 131.399 0.300 . 1 . . . . 26 PHE CE2 . 10287 1 248 . 1 1 26 26 PHE CZ C 13 129.615 0.300 . 1 . . . . 26 PHE CZ . 10287 1 249 . 1 1 26 26 PHE N N 15 120.609 0.300 . 1 . . . . 26 PHE N . 10287 1 250 . 1 1 27 27 ALA H H 1 8.045 0.030 . 1 . . . . 27 ALA H . 10287 1 251 . 1 1 27 27 ALA HA H 1 4.062 0.030 . 1 . . . . 27 ALA HA . 10287 1 252 . 1 1 27 27 ALA HB1 H 1 1.585 0.030 . 1 . . . . 27 ALA HB . 10287 1 253 . 1 1 27 27 ALA HB2 H 1 1.585 0.030 . 1 . . . . 27 ALA HB . 10287 1 254 . 1 1 27 27 ALA HB3 H 1 1.585 0.030 . 1 . . . . 27 ALA HB . 10287 1 255 . 1 1 27 27 ALA C C 13 179.478 0.300 . 1 . . . . 27 ALA C . 10287 1 256 . 1 1 27 27 ALA CA C 13 53.940 0.300 . 1 . . . . 27 ALA CA . 10287 1 257 . 1 1 27 27 ALA CB C 13 18.395 0.300 . 1 . . . . 27 ALA CB . 10287 1 258 . 1 1 27 27 ALA N N 15 116.245 0.300 . 1 . . . . 27 ALA N . 10287 1 259 . 1 1 28 28 GLN H H 1 7.416 0.030 . 1 . . . . 28 GLN H . 10287 1 260 . 1 1 28 28 GLN HA H 1 4.198 0.030 . 1 . . . . 28 GLN HA . 10287 1 261 . 1 1 28 28 GLN HB2 H 1 2.350 0.030 . 2 . . . . 28 GLN HB2 . 10287 1 262 . 1 1 28 28 GLN HB3 H 1 2.278 0.030 . 2 . . . . 28 GLN HB3 . 10287 1 263 . 1 1 28 28 GLN HE21 H 1 7.454 0.030 . 2 . . . . 28 GLN HE21 . 10287 1 264 . 1 1 28 28 GLN HE22 H 1 6.877 0.030 . 2 . . . . 28 GLN HE22 . 10287 1 265 . 1 1 28 28 GLN HG2 H 1 2.571 0.030 . 2 . . . . 28 GLN HG2 . 10287 1 266 . 1 1 28 28 GLN HG3 H 1 2.456 0.030 . 2 . . . . 28 GLN HG3 . 10287 1 267 . 1 1 28 28 GLN C C 13 177.124 0.300 . 1 . . . . 28 GLN C . 10287 1 268 . 1 1 28 28 GLN CA C 13 57.586 0.300 . 1 . . . . 28 GLN CA . 10287 1 269 . 1 1 28 28 GLN CB C 13 29.250 0.300 . 1 . . . . 28 GLN CB . 10287 1 270 . 1 1 28 28 GLN CG C 13 34.023 0.300 . 1 . . . . 28 GLN CG . 10287 1 271 . 1 1 28 28 GLN N N 15 115.857 0.300 . 1 . . . . 28 GLN N . 10287 1 272 . 1 1 28 28 GLN NE2 N 15 112.141 0.300 . 1 . . . . 28 GLN NE2 . 10287 1 273 . 1 1 29 29 ASN H H 1 8.006 0.030 . 1 . . . . 29 ASN H . 10287 1 274 . 1 1 29 29 ASN HA H 1 4.780 0.030 . 1 . . . . 29 ASN HA . 10287 1 275 . 1 1 29 29 ASN HB2 H 1 3.012 0.030 . 2 . . . . 29 ASN HB2 . 10287 1 276 . 1 1 29 29 ASN HB3 H 1 2.786 0.030 . 2 . . . . 29 ASN HB3 . 10287 1 277 . 1 1 29 29 ASN HD21 H 1 7.527 0.030 . 2 . . . . 29 ASN HD21 . 10287 1 278 . 1 1 29 29 ASN HD22 H 1 6.432 0.030 . 2 . . . . 29 ASN HD22 . 10287 1 279 . 1 1 29 29 ASN C C 13 172.728 0.300 . 1 . . . . 29 ASN C . 10287 1 280 . 1 1 29 29 ASN CA C 13 51.028 0.300 . 1 . . . . 29 ASN CA . 10287 1 281 . 1 1 29 29 ASN CB C 13 39.656 0.300 . 1 . . . . 29 ASN CB . 10287 1 282 . 1 1 29 29 ASN N N 15 114.892 0.300 . 1 . . . . 29 ASN N . 10287 1 283 . 1 1 29 29 ASN ND2 N 15 111.209 0.300 . 1 . . . . 29 ASN ND2 . 10287 1 284 . 1 1 30 30 PRO HA H 1 4.218 0.030 . 1 . . . . 30 PRO HA . 10287 1 285 . 1 1 30 30 PRO HB2 H 1 1.446 0.030 . 2 . . . . 30 PRO HB2 . 10287 1 286 . 1 1 30 30 PRO HB3 H 1 1.845 0.030 . 2 . . . . 30 PRO HB3 . 10287 1 287 . 1 1 30 30 PRO HD2 H 1 3.872 0.030 . 2 . . . . 30 PRO HD2 . 10287 1 288 . 1 1 30 30 PRO HD3 H 1 3.442 0.030 . 2 . . . . 30 PRO HD3 . 10287 1 289 . 1 1 30 30 PRO HG2 H 1 1.753 0.030 . 1 . . . . 30 PRO HG2 . 10287 1 290 . 1 1 30 30 PRO HG3 H 1 1.753 0.030 . 1 . . . . 30 PRO HG3 . 10287 1 291 . 1 1 30 30 PRO C C 13 174.525 0.300 . 1 . . . . 30 PRO C . 10287 1 292 . 1 1 30 30 PRO CA C 13 63.827 0.300 . 1 . . . . 30 PRO CA . 10287 1 293 . 1 1 30 30 PRO CB C 13 33.212 0.300 . 1 . . . . 30 PRO CB . 10287 1 294 . 1 1 30 30 PRO CD C 13 50.639 0.300 . 1 . . . . 30 PRO CD . 10287 1 295 . 1 1 30 30 PRO CG C 13 26.355 0.300 . 1 . . . . 30 PRO CG . 10287 1 296 . 1 1 31 31 LEU H H 1 7.568 0.030 . 1 . . . . 31 LEU H . 10287 1 297 . 1 1 31 31 LEU HA H 1 4.709 0.030 . 1 . . . . 31 LEU HA . 10287 1 298 . 1 1 31 31 LEU HB2 H 1 1.566 0.030 . 2 . . . . 31 LEU HB2 . 10287 1 299 . 1 1 31 31 LEU HB3 H 1 1.455 0.030 . 2 . . . . 31 LEU HB3 . 10287 1 300 . 1 1 31 31 LEU HD11 H 1 0.871 0.030 . 1 . . . . 31 LEU HD1 . 10287 1 301 . 1 1 31 31 LEU HD12 H 1 0.871 0.030 . 1 . . . . 31 LEU HD1 . 10287 1 302 . 1 1 31 31 LEU HD13 H 1 0.871 0.030 . 1 . . . . 31 LEU HD1 . 10287 1 303 . 1 1 31 31 LEU HD21 H 1 0.915 0.030 . 1 . . . . 31 LEU HD2 . 10287 1 304 . 1 1 31 31 LEU HD22 H 1 0.915 0.030 . 1 . . . . 31 LEU HD2 . 10287 1 305 . 1 1 31 31 LEU HD23 H 1 0.915 0.030 . 1 . . . . 31 LEU HD2 . 10287 1 306 . 1 1 31 31 LEU HG H 1 1.428 0.030 . 1 . . . . 31 LEU HG . 10287 1 307 . 1 1 31 31 LEU C C 13 172.607 0.300 . 1 . . . . 31 LEU C . 10287 1 308 . 1 1 31 31 LEU CA C 13 51.944 0.300 . 1 . . . . 31 LEU CA . 10287 1 309 . 1 1 31 31 LEU CB C 13 42.822 0.300 . 1 . . . . 31 LEU CB . 10287 1 310 . 1 1 31 31 LEU CD1 C 13 23.794 0.300 . 2 . . . . 31 LEU CD1 . 10287 1 311 . 1 1 31 31 LEU CD2 C 13 25.462 0.300 . 2 . . . . 31 LEU CD2 . 10287 1 312 . 1 1 31 31 LEU CG C 13 26.608 0.300 . 1 . . . . 31 LEU CG . 10287 1 313 . 1 1 31 31 LEU N N 15 120.819 0.300 . 1 . . . . 31 LEU N . 10287 1 314 . 1 1 32 32 PRO HA H 1 4.073 0.030 . 1 . . . . 32 PRO HA . 10287 1 315 . 1 1 32 32 PRO HB2 H 1 1.506 0.030 . 2 . . . . 32 PRO HB2 . 10287 1 316 . 1 1 32 32 PRO HB3 H 1 2.348 0.030 . 2 . . . . 32 PRO HB3 . 10287 1 317 . 1 1 32 32 PRO HD2 H 1 3.196 0.030 . 2 . . . . 32 PRO HD2 . 10287 1 318 . 1 1 32 32 PRO HD3 H 1 3.253 0.030 . 2 . . . . 32 PRO HD3 . 10287 1 319 . 1 1 32 32 PRO HG2 H 1 0.532 0.030 . 2 . . . . 32 PRO HG2 . 10287 1 320 . 1 1 32 32 PRO HG3 H 1 1.198 0.030 . 2 . . . . 32 PRO HG3 . 10287 1 321 . 1 1 32 32 PRO C C 13 177.293 0.300 . 1 . . . . 32 PRO C . 10287 1 322 . 1 1 32 32 PRO CA C 13 62.627 0.300 . 1 . . . . 32 PRO CA . 10287 1 323 . 1 1 32 32 PRO CB C 13 31.663 0.300 . 1 . . . . 32 PRO CB . 10287 1 324 . 1 1 32 32 PRO CD C 13 51.240 0.300 . 1 . . . . 32 PRO CD . 10287 1 325 . 1 1 32 32 PRO CG C 13 26.520 0.300 . 1 . . . . 32 PRO CG . 10287 1 326 . 1 1 33 33 LEU H H 1 8.254 0.030 . 1 . . . . 33 LEU H . 10287 1 327 . 1 1 33 33 LEU HA H 1 4.410 0.030 . 1 . . . . 33 LEU HA . 10287 1 328 . 1 1 33 33 LEU HB2 H 1 1.879 0.030 . 2 . . . . 33 LEU HB2 . 10287 1 329 . 1 1 33 33 LEU HB3 H 1 1.720 0.030 . 2 . . . . 33 LEU HB3 . 10287 1 330 . 1 1 33 33 LEU HD11 H 1 0.981 0.030 . 1 . . . . 33 LEU HD1 . 10287 1 331 . 1 1 33 33 LEU HD12 H 1 0.981 0.030 . 1 . . . . 33 LEU HD1 . 10287 1 332 . 1 1 33 33 LEU HD13 H 1 0.981 0.030 . 1 . . . . 33 LEU HD1 . 10287 1 333 . 1 1 33 33 LEU HD21 H 1 0.930 0.030 . 1 . . . . 33 LEU HD2 . 10287 1 334 . 1 1 33 33 LEU HD22 H 1 0.930 0.030 . 1 . . . . 33 LEU HD2 . 10287 1 335 . 1 1 33 33 LEU HD23 H 1 0.930 0.030 . 1 . . . . 33 LEU HD2 . 10287 1 336 . 1 1 33 33 LEU HG H 1 1.780 0.030 . 1 . . . . 33 LEU HG . 10287 1 337 . 1 1 33 33 LEU C C 13 178.312 0.300 . 1 . . . . 33 LEU C . 10287 1 338 . 1 1 33 33 LEU CA C 13 53.742 0.300 . 1 . . . . 33 LEU CA . 10287 1 339 . 1 1 33 33 LEU CB C 13 42.620 0.300 . 1 . . . . 33 LEU CB . 10287 1 340 . 1 1 33 33 LEU CD1 C 13 25.340 0.300 . 2 . . . . 33 LEU CD1 . 10287 1 341 . 1 1 33 33 LEU CD2 C 13 22.448 0.300 . 2 . . . . 33 LEU CD2 . 10287 1 342 . 1 1 33 33 LEU CG C 13 27.340 0.300 . 1 . . . . 33 LEU CG . 10287 1 343 . 1 1 33 33 LEU N N 15 119.030 0.300 . 1 . . . . 33 LEU N . 10287 1 344 . 1 1 34 34 ASP H H 1 8.532 0.030 . 1 . . . . 34 ASP H . 10287 1 345 . 1 1 34 34 ASP HA H 1 4.187 0.030 . 1 . . . . 34 ASP HA . 10287 1 346 . 1 1 34 34 ASP HB2 H 1 2.680 0.030 . 2 . . . . 34 ASP HB2 . 10287 1 347 . 1 1 34 34 ASP HB3 H 1 2.608 0.030 . 2 . . . . 34 ASP HB3 . 10287 1 348 . 1 1 34 34 ASP C C 13 177.731 0.300 . 1 . . . . 34 ASP C . 10287 1 349 . 1 1 34 34 ASP CA C 13 58.678 0.300 . 1 . . . . 34 ASP CA . 10287 1 350 . 1 1 34 34 ASP CB C 13 40.871 0.300 . 1 . . . . 34 ASP CB . 10287 1 351 . 1 1 34 34 ASP N N 15 120.283 0.300 . 1 . . . . 34 ASP N . 10287 1 352 . 1 1 35 35 GLU H H 1 8.841 0.030 . 1 . . . . 35 GLU H . 10287 1 353 . 1 1 35 35 GLU HA H 1 4.135 0.030 . 1 . . . . 35 GLU HA . 10287 1 354 . 1 1 35 35 GLU HB2 H 1 2.097 0.030 . 2 . . . . 35 GLU HB2 . 10287 1 355 . 1 1 35 35 GLU HB3 H 1 2.023 0.030 . 2 . . . . 35 GLU HB3 . 10287 1 356 . 1 1 35 35 GLU HG2 H 1 2.352 0.030 . 1 . . . . 35 GLU HG2 . 10287 1 357 . 1 1 35 35 GLU HG3 H 1 2.352 0.030 . 1 . . . . 35 GLU HG3 . 10287 1 358 . 1 1 35 35 GLU C C 13 178.919 0.300 . 1 . . . . 35 GLU C . 10287 1 359 . 1 1 35 35 GLU CA C 13 59.801 0.300 . 1 . . . . 35 GLU CA . 10287 1 360 . 1 1 35 35 GLU CB C 13 28.860 0.300 . 1 . . . . 35 GLU CB . 10287 1 361 . 1 1 35 35 GLU CG C 13 36.408 0.300 . 1 . . . . 35 GLU CG . 10287 1 362 . 1 1 35 35 GLU N N 15 116.076 0.300 . 1 . . . . 35 GLU N . 10287 1 363 . 1 1 36 36 GLU H H 1 7.242 0.030 . 1 . . . . 36 GLU H . 10287 1 364 . 1 1 36 36 GLU HA H 1 4.762 0.030 . 1 . . . . 36 GLU HA . 10287 1 365 . 1 1 36 36 GLU HB2 H 1 2.120 0.030 . 2 . . . . 36 GLU HB2 . 10287 1 366 . 1 1 36 36 GLU HB3 H 1 1.919 0.030 . 2 . . . . 36 GLU HB3 . 10287 1 367 . 1 1 36 36 GLU HG2 H 1 2.643 0.030 . 2 . . . . 36 GLU HG2 . 10287 1 368 . 1 1 36 36 GLU HG3 H 1 2.054 0.030 . 2 . . . . 36 GLU HG3 . 10287 1 369 . 1 1 36 36 GLU C C 13 178.264 0.300 . 1 . . . . 36 GLU C . 10287 1 370 . 1 1 36 36 GLU CA C 13 57.303 0.300 . 1 . . . . 36 GLU CA . 10287 1 371 . 1 1 36 36 GLU CB C 13 28.799 0.300 . 1 . . . . 36 GLU CB . 10287 1 372 . 1 1 36 36 GLU CG C 13 33.303 0.300 . 1 . . . . 36 GLU CG . 10287 1 373 . 1 1 36 36 GLU N N 15 121.997 0.300 . 1 . . . . 36 GLU N . 10287 1 374 . 1 1 37 37 LEU H H 1 7.778 0.030 . 1 . . . . 37 LEU H . 10287 1 375 . 1 1 37 37 LEU HA H 1 3.956 0.030 . 1 . . . . 37 LEU HA . 10287 1 376 . 1 1 37 37 LEU HB2 H 1 1.950 0.030 . 2 . . . . 37 LEU HB2 . 10287 1 377 . 1 1 37 37 LEU HB3 H 1 1.235 0.030 . 2 . . . . 37 LEU HB3 . 10287 1 378 . 1 1 37 37 LEU HD11 H 1 0.753 0.030 . 1 . . . . 37 LEU HD1 . 10287 1 379 . 1 1 37 37 LEU HD12 H 1 0.753 0.030 . 1 . . . . 37 LEU HD1 . 10287 1 380 . 1 1 37 37 LEU HD13 H 1 0.753 0.030 . 1 . . . . 37 LEU HD1 . 10287 1 381 . 1 1 37 37 LEU HD21 H 1 0.533 0.030 . 1 . . . . 37 LEU HD2 . 10287 1 382 . 1 1 37 37 LEU HD22 H 1 0.533 0.030 . 1 . . . . 37 LEU HD2 . 10287 1 383 . 1 1 37 37 LEU HD23 H 1 0.533 0.030 . 1 . . . . 37 LEU HD2 . 10287 1 384 . 1 1 37 37 LEU HG H 1 1.369 0.030 . 1 . . . . 37 LEU HG . 10287 1 385 . 1 1 37 37 LEU C C 13 179.381 0.300 . 1 . . . . 37 LEU C . 10287 1 386 . 1 1 37 37 LEU CA C 13 58.608 0.300 . 1 . . . . 37 LEU CA . 10287 1 387 . 1 1 37 37 LEU CB C 13 41.227 0.300 . 1 . . . . 37 LEU CB . 10287 1 388 . 1 1 37 37 LEU CD1 C 13 25.733 0.300 . 2 . . . . 37 LEU CD1 . 10287 1 389 . 1 1 37 37 LEU CD2 C 13 23.494 0.300 . 2 . . . . 37 LEU CD2 . 10287 1 390 . 1 1 37 37 LEU CG C 13 27.000 0.300 . 1 . . . . 37 LEU CG . 10287 1 391 . 1 1 37 37 LEU N N 15 120.816 0.300 . 1 . . . . 37 LEU N . 10287 1 392 . 1 1 38 38 ASP H H 1 8.446 0.030 . 1 . . . . 38 ASP H . 10287 1 393 . 1 1 38 38 ASP HA H 1 4.455 0.030 . 1 . . . . 38 ASP HA . 10287 1 394 . 1 1 38 38 ASP HB2 H 1 2.751 0.030 . 2 . . . . 38 ASP HB2 . 10287 1 395 . 1 1 38 38 ASP HB3 H 1 2.676 0.030 . 2 . . . . 38 ASP HB3 . 10287 1 396 . 1 1 38 38 ASP C C 13 179.162 0.300 . 1 . . . . 38 ASP C . 10287 1 397 . 1 1 38 38 ASP CA C 13 57.550 0.300 . 1 . . . . 38 ASP CA . 10287 1 398 . 1 1 38 38 ASP CB C 13 40.313 0.300 . 1 . . . . 38 ASP CB . 10287 1 399 . 1 1 38 38 ASP N N 15 118.274 0.300 . 1 . . . . 38 ASP N . 10287 1 400 . 1 1 39 39 ARG H H 1 7.964 0.030 . 1 . . . . 39 ARG H . 10287 1 401 . 1 1 39 39 ARG HA H 1 4.066 0.030 . 1 . . . . 39 ARG HA . 10287 1 402 . 1 1 39 39 ARG HB2 H 1 2.126 0.030 . 2 . . . . 39 ARG HB2 . 10287 1 403 . 1 1 39 39 ARG HB3 H 1 2.013 0.030 . 2 . . . . 39 ARG HB3 . 10287 1 404 . 1 1 39 39 ARG HD2 H 1 3.025 0.030 . 2 . . . . 39 ARG HD2 . 10287 1 405 . 1 1 39 39 ARG HD3 H 1 3.436 0.030 . 2 . . . . 39 ARG HD3 . 10287 1 406 . 1 1 39 39 ARG HE H 1 8.588 0.030 . 1 . . . . 39 ARG HE . 10287 1 407 . 1 1 39 39 ARG HG2 H 1 1.731 0.030 . 2 . . . . 39 ARG HG2 . 10287 1 408 . 1 1 39 39 ARG HG3 H 1 1.525 0.030 . 2 . . . . 39 ARG HG3 . 10287 1 409 . 1 1 39 39 ARG C C 13 179.867 0.300 . 1 . . . . 39 ARG C . 10287 1 410 . 1 1 39 39 ARG CA C 13 59.801 0.300 . 1 . . . . 39 ARG CA . 10287 1 411 . 1 1 39 39 ARG CB C 13 29.849 0.300 . 1 . . . . 39 ARG CB . 10287 1 412 . 1 1 39 39 ARG CD C 13 42.490 0.300 . 1 . . . . 39 ARG CD . 10287 1 413 . 1 1 39 39 ARG CG C 13 26.939 0.300 . 1 . . . . 39 ARG CG . 10287 1 414 . 1 1 39 39 ARG N N 15 123.855 0.300 . 1 . . . . 39 ARG N . 10287 1 415 . 1 1 39 39 ARG NE N 15 96.363 0.300 . 1 . . . . 39 ARG NE . 10287 1 416 . 1 1 40 40 LEU H H 1 8.686 0.030 . 1 . . . . 40 LEU H . 10287 1 417 . 1 1 40 40 LEU HA H 1 4.045 0.030 . 1 . . . . 40 LEU HA . 10287 1 418 . 1 1 40 40 LEU HB2 H 1 1.282 0.030 . 2 . . . . 40 LEU HB2 . 10287 1 419 . 1 1 40 40 LEU HB3 H 1 2.240 0.030 . 2 . . . . 40 LEU HB3 . 10287 1 420 . 1 1 40 40 LEU HD11 H 1 1.182 0.030 . 1 . . . . 40 LEU HD1 . 10287 1 421 . 1 1 40 40 LEU HD12 H 1 1.182 0.030 . 1 . . . . 40 LEU HD1 . 10287 1 422 . 1 1 40 40 LEU HD13 H 1 1.182 0.030 . 1 . . . . 40 LEU HD1 . 10287 1 423 . 1 1 40 40 LEU HD21 H 1 0.860 0.030 . 1 . . . . 40 LEU HD2 . 10287 1 424 . 1 1 40 40 LEU HD22 H 1 0.860 0.030 . 1 . . . . 40 LEU HD2 . 10287 1 425 . 1 1 40 40 LEU HD23 H 1 0.860 0.030 . 1 . . . . 40 LEU HD2 . 10287 1 426 . 1 1 40 40 LEU HG H 1 1.862 0.030 . 1 . . . . 40 LEU HG . 10287 1 427 . 1 1 40 40 LEU C C 13 180.716 0.300 . 1 . . . . 40 LEU C . 10287 1 428 . 1 1 40 40 LEU CA C 13 57.782 0.300 . 1 . . . . 40 LEU CA . 10287 1 429 . 1 1 40 40 LEU CB C 13 43.153 0.300 . 1 . . . . 40 LEU CB . 10287 1 430 . 1 1 40 40 LEU CD1 C 13 26.355 0.300 . 2 . . . . 40 LEU CD1 . 10287 1 431 . 1 1 40 40 LEU CD2 C 13 23.477 0.300 . 2 . . . . 40 LEU CD2 . 10287 1 432 . 1 1 40 40 LEU CG C 13 27.206 0.300 . 1 . . . . 40 LEU CG . 10287 1 433 . 1 1 40 40 LEU N N 15 118.936 0.300 . 1 . . . . 40 LEU N . 10287 1 434 . 1 1 41 41 ARG H H 1 8.500 0.030 . 1 . . . . 41 ARG H . 10287 1 435 . 1 1 41 41 ARG HA H 1 4.078 0.030 . 1 . . . . 41 ARG HA . 10287 1 436 . 1 1 41 41 ARG HB2 H 1 1.862 0.030 . 2 . . . . 41 ARG HB2 . 10287 1 437 . 1 1 41 41 ARG HB3 H 1 2.205 0.030 . 2 . . . . 41 ARG HB3 . 10287 1 438 . 1 1 41 41 ARG HD2 H 1 3.175 0.030 . 2 . . . . 41 ARG HD2 . 10287 1 439 . 1 1 41 41 ARG HD3 H 1 3.322 0.030 . 2 . . . . 41 ARG HD3 . 10287 1 440 . 1 1 41 41 ARG HG2 H 1 2.057 0.030 . 2 . . . . 41 ARG HG2 . 10287 1 441 . 1 1 41 41 ARG HG3 H 1 1.680 0.030 . 2 . . . . 41 ARG HG3 . 10287 1 442 . 1 1 41 41 ARG C C 13 178.702 0.300 . 1 . . . . 41 ARG C . 10287 1 443 . 1 1 41 41 ARG CA C 13 60.336 0.300 . 1 . . . . 41 ARG CA . 10287 1 444 . 1 1 41 41 ARG CB C 13 29.767 0.300 . 1 . . . . 41 ARG CB . 10287 1 445 . 1 1 41 41 ARG CD C 13 44.014 0.300 . 1 . . . . 41 ARG CD . 10287 1 446 . 1 1 41 41 ARG CG C 13 26.355 0.300 . 1 . . . . 41 ARG CG . 10287 1 447 . 1 1 41 41 ARG N N 15 125.386 0.300 . 1 . . . . 41 ARG N . 10287 1 448 . 1 1 42 42 SER H H 1 7.762 0.030 . 1 . . . . 42 SER H . 10287 1 449 . 1 1 42 42 SER HA H 1 4.238 0.030 . 1 . . . . 42 SER HA . 10287 1 450 . 1 1 42 42 SER HB2 H 1 4.071 0.030 . 1 . . . . 42 SER HB2 . 10287 1 451 . 1 1 42 42 SER HB3 H 1 4.071 0.030 . 1 . . . . 42 SER HB3 . 10287 1 452 . 1 1 42 42 SER C C 13 176.030 0.300 . 1 . . . . 42 SER C . 10287 1 453 . 1 1 42 42 SER CA C 13 61.535 0.300 . 1 . . . . 42 SER CA . 10287 1 454 . 1 1 42 42 SER CB C 13 62.892 0.300 . 1 . . . . 42 SER CB . 10287 1 455 . 1 1 42 42 SER N N 15 114.493 0.300 . 1 . . . . 42 SER N . 10287 1 456 . 1 1 43 43 GLU H H 1 8.031 0.030 . 1 . . . . 43 GLU H . 10287 1 457 . 1 1 43 43 GLU HA H 1 4.220 0.030 . 1 . . . . 43 GLU HA . 10287 1 458 . 1 1 43 43 GLU HB2 H 1 2.065 0.030 . 2 . . . . 43 GLU HB2 . 10287 1 459 . 1 1 43 43 GLU HB3 H 1 2.038 0.030 . 2 . . . . 43 GLU HB3 . 10287 1 460 . 1 1 43 43 GLU HG2 H 1 2.302 0.030 . 2 . . . . 43 GLU HG2 . 10287 1 461 . 1 1 43 43 GLU HG3 H 1 2.247 0.030 . 2 . . . . 43 GLU HG3 . 10287 1 462 . 1 1 43 43 GLU C C 13 178.264 0.300 . 1 . . . . 43 GLU C . 10287 1 463 . 1 1 43 43 GLU CA C 13 58.855 0.300 . 1 . . . . 43 GLU CA . 10287 1 464 . 1 1 43 43 GLU CB C 13 30.959 0.300 . 1 . . . . 43 GLU CB . 10287 1 465 . 1 1 43 43 GLU CG C 13 35.920 0.300 . 1 . . . . 43 GLU CG . 10287 1 466 . 1 1 43 43 GLU N N 15 118.451 0.300 . 1 . . . . 43 GLU N . 10287 1 467 . 1 1 44 44 THR H H 1 8.387 0.030 . 1 . . . . 44 THR H . 10287 1 468 . 1 1 44 44 THR HA H 1 4.333 0.030 . 1 . . . . 44 THR HA . 10287 1 469 . 1 1 44 44 THR HB H 1 4.071 0.030 . 1 . . . . 44 THR HB . 10287 1 470 . 1 1 44 44 THR HG21 H 1 1.283 0.030 . 1 . . . . 44 THR HG2 . 10287 1 471 . 1 1 44 44 THR HG22 H 1 1.283 0.030 . 1 . . . . 44 THR HG2 . 10287 1 472 . 1 1 44 44 THR HG23 H 1 1.283 0.030 . 1 . . . . 44 THR HG2 . 10287 1 473 . 1 1 44 44 THR C C 13 175.787 0.300 . 1 . . . . 44 THR C . 10287 1 474 . 1 1 44 44 THR CA C 13 63.333 0.300 . 1 . . . . 44 THR CA . 10287 1 475 . 1 1 44 44 THR CB C 13 72.112 0.300 . 1 . . . . 44 THR CB . 10287 1 476 . 1 1 44 44 THR CG2 C 13 21.328 0.300 . 1 . . . . 44 THR CG2 . 10287 1 477 . 1 1 44 44 THR N N 15 105.689 0.300 . 1 . . . . 44 THR N . 10287 1 478 . 1 1 45 45 LYS H H 1 7.962 0.030 . 1 . . . . 45 LYS H . 10287 1 479 . 1 1 45 45 LYS HA H 1 4.042 0.030 . 1 . . . . 45 LYS HA . 10287 1 480 . 1 1 45 45 LYS HB2 H 1 2.078 0.030 . 2 . . . . 45 LYS HB2 . 10287 1 481 . 1 1 45 45 LYS HB3 H 1 2.228 0.030 . 2 . . . . 45 LYS HB3 . 10287 1 482 . 1 1 45 45 LYS HD2 H 1 1.653 0.030 . 2 . . . . 45 LYS HD2 . 10287 1 483 . 1 1 45 45 LYS HD3 H 1 1.710 0.030 . 2 . . . . 45 LYS HD3 . 10287 1 484 . 1 1 45 45 LYS HE2 H 1 3.027 0.030 . 2 . . . . 45 LYS HE2 . 10287 1 485 . 1 1 45 45 LYS HE3 H 1 3.070 0.030 . 2 . . . . 45 LYS HE3 . 10287 1 486 . 1 1 45 45 LYS HG2 H 1 1.364 0.030 . 2 . . . . 45 LYS HG2 . 10287 1 487 . 1 1 45 45 LYS HG3 H 1 1.424 0.030 . 2 . . . . 45 LYS HG3 . 10287 1 488 . 1 1 45 45 LYS C C 13 176.298 0.300 . 1 . . . . 45 LYS C . 10287 1 489 . 1 1 45 45 LYS CA C 13 57.934 0.300 . 1 . . . . 45 LYS CA . 10287 1 490 . 1 1 45 45 LYS CB C 13 29.024 0.300 . 1 . . . . 45 LYS CB . 10287 1 491 . 1 1 45 45 LYS CD C 13 28.848 0.300 . 1 . . . . 45 LYS CD . 10287 1 492 . 1 1 45 45 LYS CE C 13 42.670 0.300 . 1 . . . . 45 LYS CE . 10287 1 493 . 1 1 45 45 LYS CG C 13 25.201 0.300 . 1 . . . . 45 LYS CG . 10287 1 494 . 1 1 45 45 LYS N N 15 115.260 0.300 . 1 . . . . 45 LYS N . 10287 1 495 . 1 1 46 46 MET H H 1 7.750 0.030 . 1 . . . . 46 MET H . 10287 1 496 . 1 1 46 46 MET HA H 1 4.498 0.030 . 1 . . . . 46 MET HA . 10287 1 497 . 1 1 46 46 MET HB2 H 1 1.795 0.030 . 2 . . . . 46 MET HB2 . 10287 1 498 . 1 1 46 46 MET HB3 H 1 2.323 0.030 . 2 . . . . 46 MET HB3 . 10287 1 499 . 1 1 46 46 MET HE1 H 1 1.810 0.030 . 1 . . . . 46 MET HE . 10287 1 500 . 1 1 46 46 MET HE2 H 1 1.810 0.030 . 1 . . . . 46 MET HE . 10287 1 501 . 1 1 46 46 MET HE3 H 1 1.810 0.030 . 1 . . . . 46 MET HE . 10287 1 502 . 1 1 46 46 MET HG2 H 1 2.512 0.030 . 2 . . . . 46 MET HG2 . 10287 1 503 . 1 1 46 46 MET HG3 H 1 2.258 0.030 . 2 . . . . 46 MET HG3 . 10287 1 504 . 1 1 46 46 MET C C 13 176.127 0.300 . 1 . . . . 46 MET C . 10287 1 505 . 1 1 46 46 MET CA C 13 55.788 0.300 . 1 . . . . 46 MET CA . 10287 1 506 . 1 1 46 46 MET CB C 13 36.233 0.300 . 1 . . . . 46 MET CB . 10287 1 507 . 1 1 46 46 MET CE C 13 16.052 0.300 . 1 . . . . 46 MET CE . 10287 1 508 . 1 1 46 46 MET CG C 13 32.426 0.300 . 1 . . . . 46 MET CG . 10287 1 509 . 1 1 46 46 MET N N 15 119.026 0.300 . 1 . . . . 46 MET N . 10287 1 510 . 1 1 47 47 THR H H 1 8.712 0.030 . 1 . . . . 47 THR H . 10287 1 511 . 1 1 47 47 THR HA H 1 4.376 0.030 . 1 . . . . 47 THR HA . 10287 1 512 . 1 1 47 47 THR HB H 1 4.737 0.030 . 1 . . . . 47 THR HB . 10287 1 513 . 1 1 47 47 THR HG21 H 1 1.381 0.030 . 1 . . . . 47 THR HG2 . 10287 1 514 . 1 1 47 47 THR HG22 H 1 1.381 0.030 . 1 . . . . 47 THR HG2 . 10287 1 515 . 1 1 47 47 THR HG23 H 1 1.381 0.030 . 1 . . . . 47 THR HG2 . 10287 1 516 . 1 1 47 47 THR C C 13 175.812 0.300 . 1 . . . . 47 THR C . 10287 1 517 . 1 1 47 47 THR CA C 13 61.011 0.300 . 1 . . . . 47 THR CA . 10287 1 518 . 1 1 47 47 THR CB C 13 70.885 0.300 . 1 . . . . 47 THR CB . 10287 1 519 . 1 1 47 47 THR CG2 C 13 22.026 0.300 . 1 . . . . 47 THR CG2 . 10287 1 520 . 1 1 47 47 THR N N 15 109.504 0.300 . 1 . . . . 47 THR N . 10287 1 521 . 1 1 48 48 ARG H H 1 9.074 0.030 . 1 . . . . 48 ARG H . 10287 1 522 . 1 1 48 48 ARG HA H 1 3.910 0.030 . 1 . . . . 48 ARG HA . 10287 1 523 . 1 1 48 48 ARG HB2 H 1 1.925 0.030 . 1 . . . . 48 ARG HB2 . 10287 1 524 . 1 1 48 48 ARG HB3 H 1 1.925 0.030 . 1 . . . . 48 ARG HB3 . 10287 1 525 . 1 1 48 48 ARG HD2 H 1 3.192 0.030 . 1 . . . . 48 ARG HD2 . 10287 1 526 . 1 1 48 48 ARG HD3 H 1 3.192 0.030 . 1 . . . . 48 ARG HD3 . 10287 1 527 . 1 1 48 48 ARG HE H 1 8.081 0.030 . 1 . . . . 48 ARG HE . 10287 1 528 . 1 1 48 48 ARG HG2 H 1 1.676 0.030 . 1 . . . . 48 ARG HG2 . 10287 1 529 . 1 1 48 48 ARG HG3 H 1 1.676 0.030 . 1 . . . . 48 ARG HG3 . 10287 1 530 . 1 1 48 48 ARG C C 13 178.119 0.300 . 1 . . . . 48 ARG C . 10287 1 531 . 1 1 48 48 ARG CA C 13 59.242 0.300 . 1 . . . . 48 ARG CA . 10287 1 532 . 1 1 48 48 ARG CB C 13 29.189 0.300 . 1 . . . . 48 ARG CB . 10287 1 533 . 1 1 48 48 ARG CD C 13 41.846 0.300 . 1 . . . . 48 ARG CD . 10287 1 534 . 1 1 48 48 ARG CG C 13 27.951 0.300 . 1 . . . . 48 ARG CG . 10287 1 535 . 1 1 48 48 ARG N N 15 120.559 0.300 . 1 . . . . 48 ARG N . 10287 1 536 . 1 1 48 48 ARG NE N 15 84.849 0.300 . 1 . . . . 48 ARG NE . 10287 1 537 . 1 1 49 49 ARG H H 1 8.384 0.030 . 1 . . . . 49 ARG H . 10287 1 538 . 1 1 49 49 ARG HA H 1 4.237 0.030 . 1 . . . . 49 ARG HA . 10287 1 539 . 1 1 49 49 ARG HB2 H 1 1.837 0.030 . 2 . . . . 49 ARG HB2 . 10287 1 540 . 1 1 49 49 ARG HB3 H 1 1.926 0.030 . 2 . . . . 49 ARG HB3 . 10287 1 541 . 1 1 49 49 ARG HD2 H 1 3.278 0.030 . 1 . . . . 49 ARG HD2 . 10287 1 542 . 1 1 49 49 ARG HD3 H 1 3.278 0.030 . 1 . . . . 49 ARG HD3 . 10287 1 543 . 1 1 49 49 ARG HG2 H 1 1.779 0.030 . 2 . . . . 49 ARG HG2 . 10287 1 544 . 1 1 49 49 ARG HG3 H 1 1.729 0.030 . 2 . . . . 49 ARG HG3 . 10287 1 545 . 1 1 49 49 ARG C C 13 179.478 0.300 . 1 . . . . 49 ARG C . 10287 1 546 . 1 1 49 49 ARG CA C 13 59.419 0.300 . 1 . . . . 49 ARG CA . 10287 1 547 . 1 1 49 49 ARG CB C 13 30.014 0.300 . 1 . . . . 49 ARG CB . 10287 1 548 . 1 1 49 49 ARG CD C 13 43.330 0.300 . 1 . . . . 49 ARG CD . 10287 1 549 . 1 1 49 49 ARG CG C 13 27.096 0.300 . 1 . . . . 49 ARG CG . 10287 1 550 . 1 1 49 49 ARG N N 15 117.267 0.300 . 1 . . . . 49 ARG N . 10287 1 551 . 1 1 50 50 GLU H H 1 7.869 0.030 . 1 . . . . 50 GLU H . 10287 1 552 . 1 1 50 50 GLU HA H 1 4.073 0.030 . 1 . . . . 50 GLU HA . 10287 1 553 . 1 1 50 50 GLU HB2 H 1 1.972 0.030 . 2 . . . . 50 GLU HB2 . 10287 1 554 . 1 1 50 50 GLU HB3 H 1 2.474 0.030 . 2 . . . . 50 GLU HB3 . 10287 1 555 . 1 1 50 50 GLU HG2 H 1 2.301 0.030 . 2 . . . . 50 GLU HG2 . 10287 1 556 . 1 1 50 50 GLU HG3 H 1 2.443 0.030 . 2 . . . . 50 GLU HG3 . 10287 1 557 . 1 1 50 50 GLU C C 13 180.036 0.300 . 1 . . . . 50 GLU C . 10287 1 558 . 1 1 50 50 GLU CA C 13 59.419 0.300 . 1 . . . . 50 GLU CA . 10287 1 559 . 1 1 50 50 GLU CB C 13 30.672 0.300 . 1 . . . . 50 GLU CB . 10287 1 560 . 1 1 50 50 GLU CG C 13 37.758 0.300 . 1 . . . . 50 GLU CG . 10287 1 561 . 1 1 50 50 GLU N N 15 119.568 0.300 . 1 . . . . 50 GLU N . 10287 1 562 . 1 1 51 51 ILE H H 1 8.451 0.030 . 1 . . . . 51 ILE H . 10287 1 563 . 1 1 51 51 ILE HA H 1 3.795 0.030 . 1 . . . . 51 ILE HA . 10287 1 564 . 1 1 51 51 ILE HB H 1 1.940 0.030 . 1 . . . . 51 ILE HB . 10287 1 565 . 1 1 51 51 ILE HD11 H 1 0.736 0.030 . 1 . . . . 51 ILE HD1 . 10287 1 566 . 1 1 51 51 ILE HD12 H 1 0.736 0.030 . 1 . . . . 51 ILE HD1 . 10287 1 567 . 1 1 51 51 ILE HD13 H 1 0.736 0.030 . 1 . . . . 51 ILE HD1 . 10287 1 568 . 1 1 51 51 ILE HG12 H 1 0.900 0.030 . 2 . . . . 51 ILE HG12 . 10287 1 569 . 1 1 51 51 ILE HG13 H 1 1.903 0.030 . 2 . . . . 51 ILE HG13 . 10287 1 570 . 1 1 51 51 ILE HG21 H 1 1.196 0.030 . 1 . . . . 51 ILE HG2 . 10287 1 571 . 1 1 51 51 ILE HG22 H 1 1.196 0.030 . 1 . . . . 51 ILE HG2 . 10287 1 572 . 1 1 51 51 ILE HG23 H 1 1.196 0.030 . 1 . . . . 51 ILE HG2 . 10287 1 573 . 1 1 51 51 ILE C C 13 177.706 0.300 . 1 . . . . 51 ILE C . 10287 1 574 . 1 1 51 51 ILE CA C 13 66.329 0.300 . 1 . . . . 51 ILE CA . 10287 1 575 . 1 1 51 51 ILE CB C 13 38.715 0.300 . 1 . . . . 51 ILE CB . 10287 1 576 . 1 1 51 51 ILE CD1 C 13 13.976 0.300 . 1 . . . . 51 ILE CD1 . 10287 1 577 . 1 1 51 51 ILE CG1 C 13 30.230 0.300 . 1 . . . . 51 ILE CG1 . 10287 1 578 . 1 1 51 51 ILE CG2 C 13 19.680 0.300 . 1 . . . . 51 ILE CG2 . 10287 1 579 . 1 1 51 51 ILE N N 15 122.516 0.300 . 1 . . . . 51 ILE N . 10287 1 580 . 1 1 52 52 ASP H H 1 9.078 0.030 . 1 . . . . 52 ASP H . 10287 1 581 . 1 1 52 52 ASP HA H 1 4.561 0.030 . 1 . . . . 52 ASP HA . 10287 1 582 . 1 1 52 52 ASP HB2 H 1 2.772 0.030 . 2 . . . . 52 ASP HB2 . 10287 1 583 . 1 1 52 52 ASP HB3 H 1 2.877 0.030 . 2 . . . . 52 ASP HB3 . 10287 1 584 . 1 1 52 52 ASP C C 13 180.085 0.300 . 1 . . . . 52 ASP C . 10287 1 585 . 1 1 52 52 ASP CA C 13 58.249 0.300 . 1 . . . . 52 ASP CA . 10287 1 586 . 1 1 52 52 ASP CB C 13 40.908 0.300 . 1 . . . . 52 ASP CB . 10287 1 587 . 1 1 52 52 ASP N N 15 121.201 0.300 . 1 . . . . 52 ASP N . 10287 1 588 . 1 1 53 53 SER H H 1 8.298 0.030 . 1 . . . . 53 SER H . 10287 1 589 . 1 1 53 53 SER HA H 1 4.362 0.030 . 1 . . . . 53 SER HA . 10287 1 590 . 1 1 53 53 SER HB2 H 1 4.050 0.030 . 2 . . . . 53 SER HB2 . 10287 1 591 . 1 1 53 53 SER HB3 H 1 4.308 0.030 . 2 . . . . 53 SER HB3 . 10287 1 592 . 1 1 53 53 SER C C 13 175.934 0.300 . 1 . . . . 53 SER C . 10287 1 593 . 1 1 53 53 SER CA C 13 61.928 0.300 . 1 . . . . 53 SER CA . 10287 1 594 . 1 1 53 53 SER CB C 13 62.974 0.300 . 1 . . . . 53 SER CB . 10287 1 595 . 1 1 53 53 SER N N 15 114.616 0.300 . 1 . . . . 53 SER N . 10287 1 596 . 1 1 54 54 TRP H H 1 8.315 0.030 . 1 . . . . 54 TRP H . 10287 1 597 . 1 1 54 54 TRP HA H 1 3.993 0.030 . 1 . . . . 54 TRP HA . 10287 1 598 . 1 1 54 54 TRP HB2 H 1 3.268 0.030 . 2 . . . . 54 TRP HB2 . 10287 1 599 . 1 1 54 54 TRP HB3 H 1 3.687 0.030 . 2 . . . . 54 TRP HB3 . 10287 1 600 . 1 1 54 54 TRP HD1 H 1 7.163 0.030 . 1 . . . . 54 TRP HD1 . 10287 1 601 . 1 1 54 54 TRP HE1 H 1 9.674 0.030 . 1 . . . . 54 TRP HE1 . 10287 1 602 . 1 1 54 54 TRP HE3 H 1 6.862 0.030 . 1 . . . . 54 TRP HE3 . 10287 1 603 . 1 1 54 54 TRP HH2 H 1 6.391 0.030 . 1 . . . . 54 TRP HH2 . 10287 1 604 . 1 1 54 54 TRP HZ2 H 1 7.241 0.030 . 1 . . . . 54 TRP HZ2 . 10287 1 605 . 1 1 54 54 TRP HZ3 H 1 5.723 0.030 . 1 . . . . 54 TRP HZ3 . 10287 1 606 . 1 1 54 54 TRP C C 13 179.453 0.300 . 1 . . . . 54 TRP C . 10287 1 607 . 1 1 54 54 TRP CA C 13 63.191 0.300 . 1 . . . . 54 TRP CA . 10287 1 608 . 1 1 54 54 TRP CB C 13 28.777 0.300 . 1 . . . . 54 TRP CB . 10287 1 609 . 1 1 54 54 TRP CD1 C 13 126.644 0.300 . 1 . . . . 54 TRP CD1 . 10287 1 610 . 1 1 54 54 TRP CE3 C 13 121.311 0.300 . 1 . . . . 54 TRP CE3 . 10287 1 611 . 1 1 54 54 TRP CH2 C 13 123.430 0.300 . 1 . . . . 54 TRP CH2 . 10287 1 612 . 1 1 54 54 TRP CZ2 C 13 114.059 0.300 . 1 . . . . 54 TRP CZ2 . 10287 1 613 . 1 1 54 54 TRP CZ3 C 13 121.135 0.300 . 1 . . . . 54 TRP CZ3 . 10287 1 614 . 1 1 54 54 TRP N N 15 123.444 0.300 . 1 . . . . 54 TRP N . 10287 1 615 . 1 1 54 54 TRP NE1 N 15 128.228 0.300 . 1 . . . . 54 TRP NE1 . 10287 1 616 . 1 1 55 55 PHE H H 1 9.110 0.030 . 1 . . . . 55 PHE H . 10287 1 617 . 1 1 55 55 PHE HA H 1 3.880 0.030 . 1 . . . . 55 PHE HA . 10287 1 618 . 1 1 55 55 PHE HB2 H 1 3.345 0.030 . 2 . . . . 55 PHE HB2 . 10287 1 619 . 1 1 55 55 PHE HB3 H 1 3.528 0.030 . 2 . . . . 55 PHE HB3 . 10287 1 620 . 1 1 55 55 PHE HD1 H 1 7.901 0.030 . 1 . . . . 55 PHE HD1 . 10287 1 621 . 1 1 55 55 PHE HD2 H 1 7.901 0.030 . 1 . . . . 55 PHE HD2 . 10287 1 622 . 1 1 55 55 PHE HE1 H 1 7.447 0.030 . 1 . . . . 55 PHE HE1 . 10287 1 623 . 1 1 55 55 PHE HE2 H 1 7.447 0.030 . 1 . . . . 55 PHE HE2 . 10287 1 624 . 1 1 55 55 PHE HZ H 1 7.553 0.030 . 1 . . . . 55 PHE HZ . 10287 1 625 . 1 1 55 55 PHE C C 13 178.119 0.300 . 1 . . . . 55 PHE C . 10287 1 626 . 1 1 55 55 PHE CA C 13 63.563 0.300 . 1 . . . . 55 PHE CA . 10287 1 627 . 1 1 55 55 PHE CB C 13 39.721 0.300 . 1 . . . . 55 PHE CB . 10287 1 628 . 1 1 55 55 PHE CD1 C 13 132.173 0.300 . 1 . . . . 55 PHE CD1 . 10287 1 629 . 1 1 55 55 PHE CD2 C 13 132.173 0.300 . 1 . . . . 55 PHE CD2 . 10287 1 630 . 1 1 55 55 PHE CE1 C 13 131.865 0.300 . 1 . . . . 55 PHE CE1 . 10287 1 631 . 1 1 55 55 PHE CE2 C 13 131.865 0.300 . 1 . . . . 55 PHE CE2 . 10287 1 632 . 1 1 55 55 PHE CZ C 13 130.210 0.300 . 1 . . . . 55 PHE CZ . 10287 1 633 . 1 1 55 55 PHE N N 15 119.065 0.300 . 1 . . . . 55 PHE N . 10287 1 634 . 1 1 56 56 SER H H 1 8.330 0.030 . 1 . . . . 56 SER H . 10287 1 635 . 1 1 56 56 SER HA H 1 4.173 0.030 . 1 . . . . 56 SER HA . 10287 1 636 . 1 1 56 56 SER HB2 H 1 4.093 0.030 . 1 . . . . 56 SER HB2 . 10287 1 637 . 1 1 56 56 SER HB3 H 1 4.093 0.030 . 1 . . . . 56 SER HB3 . 10287 1 638 . 1 1 56 56 SER C C 13 177.851 0.300 . 1 . . . . 56 SER C . 10287 1 639 . 1 1 56 56 SER CA C 13 61.958 0.300 . 1 . . . . 56 SER CA . 10287 1 640 . 1 1 56 56 SER CB C 13 62.727 0.300 . 1 . . . . 56 SER CB . 10287 1 641 . 1 1 56 56 SER N N 15 113.028 0.300 . 1 . . . . 56 SER N . 10287 1 642 . 1 1 57 57 GLU H H 1 8.070 0.030 . 1 . . . . 57 GLU H . 10287 1 643 . 1 1 57 57 GLU HA H 1 3.922 0.030 . 1 . . . . 57 GLU HA . 10287 1 644 . 1 1 57 57 GLU HB2 H 1 1.892 0.030 . 2 . . . . 57 GLU HB2 . 10287 1 645 . 1 1 57 57 GLU HB3 H 1 1.838 0.030 . 2 . . . . 57 GLU HB3 . 10287 1 646 . 1 1 57 57 GLU HG2 H 1 2.241 0.030 . 1 . . . . 57 GLU HG2 . 10287 1 647 . 1 1 57 57 GLU HG3 H 1 2.241 0.030 . 1 . . . . 57 GLU HG3 . 10287 1 648 . 1 1 57 57 GLU C C 13 178.895 0.300 . 1 . . . . 57 GLU C . 10287 1 649 . 1 1 57 57 GLU CA C 13 58.629 0.300 . 1 . . . . 57 GLU CA . 10287 1 650 . 1 1 57 57 GLU CB C 13 29.107 0.300 . 1 . . . . 57 GLU CB . 10287 1 651 . 1 1 57 57 GLU CG C 13 36.161 0.300 . 1 . . . . 57 GLU CG . 10287 1 652 . 1 1 57 57 GLU N N 15 119.996 0.300 . 1 . . . . 57 GLU N . 10287 1 653 . 1 1 58 58 ARG H H 1 8.048 0.030 . 1 . . . . 58 ARG H . 10287 1 654 . 1 1 58 58 ARG HA H 1 3.489 0.030 . 1 . . . . 58 ARG HA . 10287 1 655 . 1 1 58 58 ARG HB2 H 1 0.835 0.030 . 2 . . . . 58 ARG HB2 . 10287 1 656 . 1 1 58 58 ARG HB3 H 1 -0.140 0.030 . 2 . . . . 58 ARG HB3 . 10287 1 657 . 1 1 58 58 ARG HD2 H 1 2.053 0.030 . 2 . . . . 58 ARG HD2 . 10287 1 658 . 1 1 58 58 ARG HD3 H 1 2.464 0.030 . 2 . . . . 58 ARG HD3 . 10287 1 659 . 1 1 58 58 ARG HE H 1 8.427 0.030 . 1 . . . . 58 ARG HE . 10287 1 660 . 1 1 58 58 ARG HG2 H 1 -0.179 0.030 . 2 . . . . 58 ARG HG2 . 10287 1 661 . 1 1 58 58 ARG HG3 H 1 -0.280 0.030 . 2 . . . . 58 ARG HG3 . 10287 1 662 . 1 1 58 58 ARG C C 13 179.186 0.300 . 1 . . . . 58 ARG C . 10287 1 663 . 1 1 58 58 ARG CA C 13 56.770 0.300 . 1 . . . . 58 ARG CA . 10287 1 664 . 1 1 58 58 ARG CB C 13 28.145 0.300 . 1 . . . . 58 ARG CB . 10287 1 665 . 1 1 58 58 ARG CD C 13 41.023 0.300 . 1 . . . . 58 ARG CD . 10287 1 666 . 1 1 58 58 ARG CG C 13 24.131 0.300 . 1 . . . . 58 ARG CG . 10287 1 667 . 1 1 58 58 ARG N N 15 122.160 0.300 . 1 . . . . 58 ARG N . 10287 1 668 . 1 1 58 58 ARG NE N 15 86.529 0.300 . 1 . . . . 58 ARG NE . 10287 1 669 . 1 1 59 59 ARG H H 1 8.093 0.030 . 1 . . . . 59 ARG H . 10287 1 670 . 1 1 59 59 ARG HA H 1 4.212 0.030 . 1 . . . . 59 ARG HA . 10287 1 671 . 1 1 59 59 ARG HB2 H 1 1.952 0.030 . 2 . . . . 59 ARG HB2 . 10287 1 672 . 1 1 59 59 ARG HB3 H 1 2.182 0.030 . 2 . . . . 59 ARG HB3 . 10287 1 673 . 1 1 59 59 ARG HD2 H 1 3.287 0.030 . 2 . . . . 59 ARG HD2 . 10287 1 674 . 1 1 59 59 ARG HD3 H 1 3.623 0.030 . 2 . . . . 59 ARG HD3 . 10287 1 675 . 1 1 59 59 ARG HG2 H 1 1.910 0.030 . 2 . . . . 59 ARG HG2 . 10287 1 676 . 1 1 59 59 ARG HG3 H 1 2.507 0.030 . 2 . . . . 59 ARG HG3 . 10287 1 677 . 1 1 59 59 ARG C C 13 178.458 0.300 . 1 . . . . 59 ARG C . 10287 1 678 . 1 1 59 59 ARG CA C 13 60.019 0.300 . 1 . . . . 59 ARG CA . 10287 1 679 . 1 1 59 59 ARG CB C 13 31.689 0.300 . 1 . . . . 59 ARG CB . 10287 1 680 . 1 1 59 59 ARG CD C 13 43.855 0.300 . 1 . . . . 59 ARG CD . 10287 1 681 . 1 1 59 59 ARG CG C 13 30.392 0.300 . 1 . . . . 59 ARG CG . 10287 1 682 . 1 1 59 59 ARG N N 15 116.818 0.300 . 1 . . . . 59 ARG N . 10287 1 683 . 1 1 60 60 LYS H H 1 7.418 0.030 . 1 . . . . 60 LYS H . 10287 1 684 . 1 1 60 60 LYS HA H 1 4.154 0.030 . 1 . . . . 60 LYS HA . 10287 1 685 . 1 1 60 60 LYS HB2 H 1 1.935 0.030 . 2 . . . . 60 LYS HB2 . 10287 1 686 . 1 1 60 60 LYS HB3 H 1 1.886 0.030 . 2 . . . . 60 LYS HB3 . 10287 1 687 . 1 1 60 60 LYS HD2 H 1 1.680 0.030 . 1 . . . . 60 LYS HD2 . 10287 1 688 . 1 1 60 60 LYS HD3 H 1 1.680 0.030 . 1 . . . . 60 LYS HD3 . 10287 1 689 . 1 1 60 60 LYS HE2 H 1 2.947 0.030 . 1 . . . . 60 LYS HE2 . 10287 1 690 . 1 1 60 60 LYS HE3 H 1 2.947 0.030 . 1 . . . . 60 LYS HE3 . 10287 1 691 . 1 1 60 60 LYS HG2 H 1 1.666 0.030 . 2 . . . . 60 LYS HG2 . 10287 1 692 . 1 1 60 60 LYS HG3 H 1 1.434 0.030 . 2 . . . . 60 LYS HG3 . 10287 1 693 . 1 1 60 60 LYS C C 13 177.803 0.300 . 1 . . . . 60 LYS C . 10287 1 694 . 1 1 60 60 LYS CA C 13 58.327 0.300 . 1 . . . . 60 LYS CA . 10287 1 695 . 1 1 60 60 LYS CB C 13 32.651 0.300 . 1 . . . . 60 LYS CB . 10287 1 696 . 1 1 60 60 LYS CD C 13 29.569 0.300 . 1 . . . . 60 LYS CD . 10287 1 697 . 1 1 60 60 LYS CE C 13 42.176 0.300 . 1 . . . . 60 LYS CE . 10287 1 698 . 1 1 60 60 LYS CG C 13 25.366 0.300 . 1 . . . . 60 LYS CG . 10287 1 699 . 1 1 60 60 LYS N N 15 117.893 0.300 . 1 . . . . 60 LYS N . 10287 1 700 . 1 1 61 61 LYS H H 1 7.510 0.030 . 1 . . . . 61 LYS H . 10287 1 701 . 1 1 61 61 LYS HA H 1 4.177 0.030 . 1 . . . . 61 LYS HA . 10287 1 702 . 1 1 61 61 LYS HB2 H 1 1.750 0.030 . 2 . . . . 61 LYS HB2 . 10287 1 703 . 1 1 61 61 LYS HB3 H 1 1.850 0.030 . 2 . . . . 61 LYS HB3 . 10287 1 704 . 1 1 61 61 LYS HD2 H 1 1.548 0.030 . 1 . . . . 61 LYS HD2 . 10287 1 705 . 1 1 61 61 LYS HD3 H 1 1.548 0.030 . 1 . . . . 61 LYS HD3 . 10287 1 706 . 1 1 61 61 LYS HE2 H 1 2.884 0.030 . 1 . . . . 61 LYS HE2 . 10287 1 707 . 1 1 61 61 LYS HE3 H 1 2.884 0.030 . 1 . . . . 61 LYS HE3 . 10287 1 708 . 1 1 61 61 LYS HG2 H 1 1.354 0.030 . 2 . . . . 61 LYS HG2 . 10287 1 709 . 1 1 61 61 LYS HG3 H 1 1.448 0.030 . 2 . . . . 61 LYS HG3 . 10287 1 710 . 1 1 61 61 LYS C C 13 177.317 0.300 . 1 . . . . 61 LYS C . 10287 1 711 . 1 1 61 61 LYS CA C 13 57.516 0.300 . 1 . . . . 61 LYS CA . 10287 1 712 . 1 1 61 61 LYS CB C 13 32.809 0.300 . 1 . . . . 61 LYS CB . 10287 1 713 . 1 1 61 61 LYS CD C 13 29.198 0.300 . 1 . . . . 61 LYS CD . 10287 1 714 . 1 1 61 61 LYS CE C 13 42.093 0.300 . 1 . . . . 61 LYS CE . 10287 1 715 . 1 1 61 61 LYS CG C 13 24.790 0.300 . 1 . . . . 61 LYS CG . 10287 1 716 . 1 1 61 61 LYS N N 15 119.359 0.300 . 1 . . . . 61 LYS N . 10287 1 717 . 1 1 62 62 VAL H H 1 7.805 0.030 . 1 . . . . 62 VAL H . 10287 1 718 . 1 1 62 62 VAL HA H 1 4.013 0.030 . 1 . . . . 62 VAL HA . 10287 1 719 . 1 1 62 62 VAL HB H 1 2.199 0.030 . 1 . . . . 62 VAL HB . 10287 1 720 . 1 1 62 62 VAL HG11 H 1 1.018 0.030 . 1 . . . . 62 VAL HG1 . 10287 1 721 . 1 1 62 62 VAL HG12 H 1 1.018 0.030 . 1 . . . . 62 VAL HG1 . 10287 1 722 . 1 1 62 62 VAL HG13 H 1 1.018 0.030 . 1 . . . . 62 VAL HG1 . 10287 1 723 . 1 1 62 62 VAL HG21 H 1 1.129 0.030 . 1 . . . . 62 VAL HG2 . 10287 1 724 . 1 1 62 62 VAL HG22 H 1 1.129 0.030 . 1 . . . . 62 VAL HG2 . 10287 1 725 . 1 1 62 62 VAL HG23 H 1 1.129 0.030 . 1 . . . . 62 VAL HG2 . 10287 1 726 . 1 1 62 62 VAL C C 13 176.784 0.300 . 1 . . . . 62 VAL C . 10287 1 727 . 1 1 62 62 VAL CA C 13 63.755 0.300 . 1 . . . . 62 VAL CA . 10287 1 728 . 1 1 62 62 VAL CB C 13 32.365 0.300 . 1 . . . . 62 VAL CB . 10287 1 729 . 1 1 62 62 VAL CG1 C 13 21.203 0.300 . 2 . . . . 62 VAL CG1 . 10287 1 730 . 1 1 62 62 VAL CG2 C 13 21.407 0.300 . 2 . . . . 62 VAL CG2 . 10287 1 731 . 1 1 62 62 VAL N N 15 119.337 0.300 . 1 . . . . 62 VAL N . 10287 1 732 . 1 1 63 63 ASN H H 1 8.282 0.030 . 1 . . . . 63 ASN H . 10287 1 733 . 1 1 63 63 ASN HA H 1 4.700 0.030 . 1 . . . . 63 ASN HA . 10287 1 734 . 1 1 63 63 ASN HB2 H 1 2.814 0.030 . 2 . . . . 63 ASN HB2 . 10287 1 735 . 1 1 63 63 ASN HB3 H 1 2.900 0.030 . 2 . . . . 63 ASN HB3 . 10287 1 736 . 1 1 63 63 ASN HD21 H 1 7.658 0.030 . 2 . . . . 63 ASN HD21 . 10287 1 737 . 1 1 63 63 ASN HD22 H 1 6.960 0.030 . 2 . . . . 63 ASN HD22 . 10287 1 738 . 1 1 63 63 ASN C C 13 175.594 0.300 . 1 . . . . 63 ASN C . 10287 1 739 . 1 1 63 63 ASN CA C 13 53.962 0.300 . 1 . . . . 63 ASN CA . 10287 1 740 . 1 1 63 63 ASN CB C 13 38.913 0.300 . 1 . . . . 63 ASN CB . 10287 1 741 . 1 1 63 63 ASN N N 15 120.443 0.300 . 1 . . . . 63 ASN N . 10287 1 742 . 1 1 63 63 ASN ND2 N 15 112.423 0.300 . 1 . . . . 63 ASN ND2 . 10287 1 743 . 1 1 64 64 ALA H H 1 8.225 0.030 . 1 . . . . 64 ALA H . 10287 1 744 . 1 1 64 64 ALA HA H 1 4.290 0.030 . 1 . . . . 64 ALA HA . 10287 1 745 . 1 1 64 64 ALA HB1 H 1 1.456 0.030 . 1 . . . . 64 ALA HB . 10287 1 746 . 1 1 64 64 ALA HB2 H 1 1.456 0.030 . 1 . . . . 64 ALA HB . 10287 1 747 . 1 1 64 64 ALA HB3 H 1 1.456 0.030 . 1 . . . . 64 ALA HB . 10287 1 748 . 1 1 64 64 ALA C C 13 178.312 0.300 . 1 . . . . 64 ALA C . 10287 1 749 . 1 1 64 64 ALA CA C 13 53.319 0.300 . 1 . . . . 64 ALA CA . 10287 1 750 . 1 1 64 64 ALA CB C 13 19.055 0.300 . 1 . . . . 64 ALA CB . 10287 1 751 . 1 1 64 64 ALA N N 15 123.747 0.300 . 1 . . . . 64 ALA N . 10287 1 752 . 1 1 65 65 GLU H H 1 8.262 0.030 . 1 . . . . 65 GLU H . 10287 1 753 . 1 1 65 65 GLU HA H 1 4.233 0.030 . 1 . . . . 65 GLU HA . 10287 1 754 . 1 1 65 65 GLU HB2 H 1 2.044 0.030 . 2 . . . . 65 GLU HB2 . 10287 1 755 . 1 1 65 65 GLU HB3 H 1 2.088 0.030 . 2 . . . . 65 GLU HB3 . 10287 1 756 . 1 1 65 65 GLU HG2 H 1 2.297 0.030 . 2 . . . . 65 GLU HG2 . 10287 1 757 . 1 1 65 65 GLU HG3 H 1 2.359 0.030 . 2 . . . . 65 GLU HG3 . 10287 1 758 . 1 1 65 65 GLU C C 13 177.244 0.300 . 1 . . . . 65 GLU C . 10287 1 759 . 1 1 65 65 GLU CA C 13 57.269 0.300 . 1 . . . . 65 GLU CA . 10287 1 760 . 1 1 65 65 GLU CB C 13 30.114 0.300 . 1 . . . . 65 GLU CB . 10287 1 761 . 1 1 65 65 GLU CG C 13 36.408 0.300 . 1 . . . . 65 GLU CG . 10287 1 762 . 1 1 65 65 GLU N N 15 118.780 0.300 . 1 . . . . 65 GLU N . 10287 1 763 . 1 1 66 66 GLU H H 1 8.327 0.030 . 1 . . . . 66 GLU H . 10287 1 764 . 1 1 66 66 GLU HA H 1 4.301 0.030 . 1 . . . . 66 GLU HA . 10287 1 765 . 1 1 66 66 GLU HB2 H 1 2.049 0.030 . 2 . . . . 66 GLU HB2 . 10287 1 766 . 1 1 66 66 GLU HB3 H 1 2.095 0.030 . 2 . . . . 66 GLU HB3 . 10287 1 767 . 1 1 66 66 GLU HG2 H 1 2.323 0.030 . 1 . . . . 66 GLU HG2 . 10287 1 768 . 1 1 66 66 GLU HG3 H 1 2.323 0.030 . 1 . . . . 66 GLU HG3 . 10287 1 769 . 1 1 66 66 GLU C C 13 177.244 0.300 . 1 . . . . 66 GLU C . 10287 1 770 . 1 1 66 66 GLU CA C 13 57.197 0.300 . 1 . . . . 66 GLU CA . 10287 1 771 . 1 1 66 66 GLU CB C 13 30.227 0.300 . 1 . . . . 66 GLU CB . 10287 1 772 . 1 1 66 66 GLU CG C 13 36.408 0.300 . 1 . . . . 66 GLU CG . 10287 1 773 . 1 1 66 66 GLU N N 15 120.955 0.300 . 1 . . . . 66 GLU N . 10287 1 774 . 1 1 67 67 THR H H 1 8.135 0.030 . 1 . . . . 67 THR H . 10287 1 775 . 1 1 67 67 THR HA H 1 4.280 0.030 . 1 . . . . 67 THR HA . 10287 1 776 . 1 1 67 67 THR HB H 1 4.233 0.030 . 1 . . . . 67 THR HB . 10287 1 777 . 1 1 67 67 THR HG21 H 1 1.248 0.030 . 1 . . . . 67 THR HG2 . 10287 1 778 . 1 1 67 67 THR HG22 H 1 1.248 0.030 . 1 . . . . 67 THR HG2 . 10287 1 779 . 1 1 67 67 THR HG23 H 1 1.248 0.030 . 1 . . . . 67 THR HG2 . 10287 1 780 . 1 1 67 67 THR C C 13 174.816 0.300 . 1 . . . . 67 THR C . 10287 1 781 . 1 1 67 67 THR CA C 13 62.615 0.300 . 1 . . . . 67 THR CA . 10287 1 782 . 1 1 67 67 THR CB C 13 69.648 0.300 . 1 . . . . 67 THR CB . 10287 1 783 . 1 1 67 67 THR CG2 C 13 21.759 0.300 . 1 . . . . 67 THR CG2 . 10287 1 784 . 1 1 67 67 THR N N 15 114.856 0.300 . 1 . . . . 67 THR N . 10287 1 785 . 1 1 68 68 LYS H H 1 8.202 0.030 . 1 . . . . 68 LYS H . 10287 1 786 . 1 1 68 68 LYS HA H 1 4.327 0.030 . 1 . . . . 68 LYS HA . 10287 1 787 . 1 1 68 68 LYS HB2 H 1 1.873 0.030 . 2 . . . . 68 LYS HB2 . 10287 1 788 . 1 1 68 68 LYS HB3 H 1 1.803 0.030 . 2 . . . . 68 LYS HB3 . 10287 1 789 . 1 1 68 68 LYS HD2 H 1 1.703 0.030 . 1 . . . . 68 LYS HD2 . 10287 1 790 . 1 1 68 68 LYS HD3 H 1 1.703 0.030 . 1 . . . . 68 LYS HD3 . 10287 1 791 . 1 1 68 68 LYS HE2 H 1 3.018 0.030 . 1 . . . . 68 LYS HE2 . 10287 1 792 . 1 1 68 68 LYS HE3 H 1 3.018 0.030 . 1 . . . . 68 LYS HE3 . 10287 1 793 . 1 1 68 68 LYS HG2 H 1 1.439 0.030 . 2 . . . . 68 LYS HG2 . 10287 1 794 . 1 1 68 68 LYS HG3 H 1 1.484 0.030 . 2 . . . . 68 LYS HG3 . 10287 1 795 . 1 1 68 68 LYS C C 13 176.637 0.300 . 1 . . . . 68 LYS C . 10287 1 796 . 1 1 68 68 LYS CA C 13 56.599 0.300 . 1 . . . . 68 LYS CA . 10287 1 797 . 1 1 68 68 LYS CB C 13 32.898 0.300 . 1 . . . . 68 LYS CB . 10287 1 798 . 1 1 68 68 LYS CD C 13 29.075 0.300 . 1 . . . . 68 LYS CD . 10287 1 799 . 1 1 68 68 LYS CE C 13 42.258 0.300 . 1 . . . . 68 LYS CE . 10287 1 800 . 1 1 68 68 LYS CG C 13 24.771 0.300 . 1 . . . . 68 LYS CG . 10287 1 801 . 1 1 68 68 LYS N N 15 123.462 0.300 . 1 . . . . 68 LYS N . 10287 1 802 . 1 1 69 69 LYS H H 1 8.300 0.030 . 1 . . . . 69 LYS H . 10287 1 803 . 1 1 69 69 LYS HA H 1 4.375 0.030 . 1 . . . . 69 LYS HA . 10287 1 804 . 1 1 69 69 LYS HB2 H 1 1.842 0.030 . 1 . . . . 69 LYS HB2 . 10287 1 805 . 1 1 69 69 LYS HB3 H 1 1.842 0.030 . 1 . . . . 69 LYS HB3 . 10287 1 806 . 1 1 69 69 LYS HD2 H 1 1.703 0.030 . 1 . . . . 69 LYS HD2 . 10287 1 807 . 1 1 69 69 LYS HD3 H 1 1.703 0.030 . 1 . . . . 69 LYS HD3 . 10287 1 808 . 1 1 69 69 LYS HE2 H 1 3.017 0.030 . 1 . . . . 69 LYS HE2 . 10287 1 809 . 1 1 69 69 LYS HE3 H 1 3.017 0.030 . 1 . . . . 69 LYS HE3 . 10287 1 810 . 1 1 69 69 LYS HG2 H 1 1.447 0.030 . 2 . . . . 69 LYS HG2 . 10287 1 811 . 1 1 69 69 LYS HG3 H 1 1.498 0.030 . 2 . . . . 69 LYS HG3 . 10287 1 812 . 1 1 69 69 LYS C C 13 176.661 0.300 . 1 . . . . 69 LYS C . 10287 1 813 . 1 1 69 69 LYS CA C 13 56.458 0.300 . 1 . . . . 69 LYS CA . 10287 1 814 . 1 1 69 69 LYS CB C 13 33.145 0.300 . 1 . . . . 69 LYS CB . 10287 1 815 . 1 1 69 69 LYS CD C 13 29.075 0.300 . 1 . . . . 69 LYS CD . 10287 1 816 . 1 1 69 69 LYS CE C 13 42.258 0.300 . 1 . . . . 69 LYS CE . 10287 1 817 . 1 1 69 69 LYS CG C 13 24.790 0.300 . 1 . . . . 69 LYS CG . 10287 1 818 . 1 1 69 69 LYS N N 15 122.321 0.300 . 1 . . . . 69 LYS N . 10287 1 819 . 1 1 70 70 SER H H 1 8.330 0.030 . 1 . . . . 70 SER H . 10287 1 820 . 1 1 70 70 SER HA H 1 4.536 0.030 . 1 . . . . 70 SER HA . 10287 1 821 . 1 1 70 70 SER HB2 H 1 3.904 0.030 . 1 . . . . 70 SER HB2 . 10287 1 822 . 1 1 70 70 SER HB3 H 1 3.904 0.030 . 1 . . . . 70 SER HB3 . 10287 1 823 . 1 1 70 70 SER C C 13 174.525 0.300 . 1 . . . . 70 SER C . 10287 1 824 . 1 1 70 70 SER CA C 13 58.361 0.300 . 1 . . . . 70 SER CA . 10287 1 825 . 1 1 70 70 SER CB C 13 64.022 0.300 . 1 . . . . 70 SER CB . 10287 1 826 . 1 1 70 70 SER N N 15 116.687 0.300 . 1 . . . . 70 SER N . 10287 1 827 . 1 1 71 71 GLY H H 1 8.250 0.030 . 1 . . . . 71 GLY H . 10287 1 828 . 1 1 71 71 GLY C C 13 171.782 0.300 . 1 . . . . 71 GLY C . 10287 1 829 . 1 1 71 71 GLY CA C 13 44.717 0.300 . 1 . . . . 71 GLY CA . 10287 1 830 . 1 1 71 71 GLY N N 15 110.366 0.300 . 1 . . . . 71 GLY N . 10287 1 831 . 1 1 72 72 PRO HA H 1 4.141 0.030 . 1 . . . . 72 PRO HA . 10287 1 832 . 1 1 74 74 SER HA H 1 4.526 0.030 . 1 . . . . 74 SER HA . 10287 1 833 . 1 1 74 74 SER HB2 H 1 3.930 0.030 . 1 . . . . 74 SER HB2 . 10287 1 834 . 1 1 74 74 SER HB3 H 1 3.930 0.030 . 1 . . . . 74 SER HB3 . 10287 1 835 . 1 1 74 74 SER C C 13 173.918 0.300 . 1 . . . . 74 SER C . 10287 1 836 . 1 1 74 74 SER CA C 13 58.528 0.300 . 1 . . . . 74 SER CA . 10287 1 837 . 1 1 74 74 SER CB C 13 63.972 0.300 . 1 . . . . 74 SER CB . 10287 1 838 . 1 1 75 75 GLY H H 1 8.058 0.030 . 1 . . . . 75 GLY H . 10287 1 839 . 1 1 75 75 GLY C C 13 179.042 0.300 . 1 . . . . 75 GLY C . 10287 1 840 . 1 1 75 75 GLY CA C 13 46.233 0.300 . 1 . . . . 75 GLY CA . 10287 1 841 . 1 1 75 75 GLY N N 15 116.568 0.300 . 1 . . . . 75 GLY N . 10287 1 stop_ save_