data_10284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10284 _Entry.Title ; Solution structure of the second homeobox domain of AT-binding transcription factor 1 (ATBF1) ; _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 . . . 10284 2 T. Kigawa . . . 10284 3 N. Tochio . . . 10284 4 S. Koshiba . . . 10284 5 M. Inoue . . . 10284 6 S. Yokoyama . . . 10284 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' 10284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 10284 '15N chemical shifts' 67 10284 '1H chemical shifts' 439 10284 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 . 10284 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DA2 'BMRB Entry Tracking System' 10284 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10284 _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 AT-binding transcription factor 1 (ATBF1) ; _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 . . . 10284 1 2 T. Kigawa . . . 10284 1 3 N. Tochio . . . 10284 1 4 S. Koshiba . . . 10284 1 5 M. Inoue . . . 10284 1 6 S. Yokoyama . . . 10284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10284 _Assembly.ID 1 _Assembly.Name 'Alpha-fetoprotein enhancer binding 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 'The second homeobox domain' 1 $entity_1 . . yes native no no . . . 10284 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 2DA2 . . . . . . 10284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10284 _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 ; GSSGSSGRSSRTRFTDYQLR VLQDFFDANAYPKDDEFEQL SNLLNLPTRVIVVWFQNARQ KARKSGPSSG ; _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 70 _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 2DA2 . "Solution Structure Of The Second Homeobox Domain Of At- Binding Transcription Factor 1 (Atbf1)" . . . . . 100.00 70 100.00 100.00 2.82e-42 . . . . 10284 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' . 10284 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 . 10284 1 2 . SER . 10284 1 3 . SER . 10284 1 4 . GLY . 10284 1 5 . SER . 10284 1 6 . SER . 10284 1 7 . GLY . 10284 1 8 . ARG . 10284 1 9 . SER . 10284 1 10 . SER . 10284 1 11 . ARG . 10284 1 12 . THR . 10284 1 13 . ARG . 10284 1 14 . PHE . 10284 1 15 . THR . 10284 1 16 . ASP . 10284 1 17 . TYR . 10284 1 18 . GLN . 10284 1 19 . LEU . 10284 1 20 . ARG . 10284 1 21 . VAL . 10284 1 22 . LEU . 10284 1 23 . GLN . 10284 1 24 . ASP . 10284 1 25 . PHE . 10284 1 26 . PHE . 10284 1 27 . ASP . 10284 1 28 . ALA . 10284 1 29 . ASN . 10284 1 30 . ALA . 10284 1 31 . TYR . 10284 1 32 . PRO . 10284 1 33 . LYS . 10284 1 34 . ASP . 10284 1 35 . ASP . 10284 1 36 . GLU . 10284 1 37 . PHE . 10284 1 38 . GLU . 10284 1 39 . GLN . 10284 1 40 . LEU . 10284 1 41 . SER . 10284 1 42 . ASN . 10284 1 43 . LEU . 10284 1 44 . LEU . 10284 1 45 . ASN . 10284 1 46 . LEU . 10284 1 47 . PRO . 10284 1 48 . THR . 10284 1 49 . ARG . 10284 1 50 . VAL . 10284 1 51 . ILE . 10284 1 52 . VAL . 10284 1 53 . VAL . 10284 1 54 . TRP . 10284 1 55 . PHE . 10284 1 56 . GLN . 10284 1 57 . ASN . 10284 1 58 . ALA . 10284 1 59 . ARG . 10284 1 60 . GLN . 10284 1 61 . LYS . 10284 1 62 . ALA . 10284 1 63 . ARG . 10284 1 64 . LYS . 10284 1 65 . SER . 10284 1 66 . GLY . 10284 1 67 . PRO . 10284 1 68 . SER . 10284 1 69 . SER . 10284 1 70 . GLY . 10284 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 10284 1 . SER 2 2 10284 1 . SER 3 3 10284 1 . GLY 4 4 10284 1 . SER 5 5 10284 1 . SER 6 6 10284 1 . GLY 7 7 10284 1 . ARG 8 8 10284 1 . SER 9 9 10284 1 . SER 10 10 10284 1 . ARG 11 11 10284 1 . THR 12 12 10284 1 . ARG 13 13 10284 1 . PHE 14 14 10284 1 . THR 15 15 10284 1 . ASP 16 16 10284 1 . TYR 17 17 10284 1 . GLN 18 18 10284 1 . LEU 19 19 10284 1 . ARG 20 20 10284 1 . VAL 21 21 10284 1 . LEU 22 22 10284 1 . GLN 23 23 10284 1 . ASP 24 24 10284 1 . PHE 25 25 10284 1 . PHE 26 26 10284 1 . ASP 27 27 10284 1 . ALA 28 28 10284 1 . ASN 29 29 10284 1 . ALA 30 30 10284 1 . TYR 31 31 10284 1 . PRO 32 32 10284 1 . LYS 33 33 10284 1 . ASP 34 34 10284 1 . ASP 35 35 10284 1 . GLU 36 36 10284 1 . PHE 37 37 10284 1 . GLU 38 38 10284 1 . GLN 39 39 10284 1 . LEU 40 40 10284 1 . SER 41 41 10284 1 . ASN 42 42 10284 1 . LEU 43 43 10284 1 . LEU 44 44 10284 1 . ASN 45 45 10284 1 . LEU 46 46 10284 1 . PRO 47 47 10284 1 . THR 48 48 10284 1 . ARG 49 49 10284 1 . VAL 50 50 10284 1 . ILE 51 51 10284 1 . VAL 52 52 10284 1 . VAL 53 53 10284 1 . TRP 54 54 10284 1 . PHE 55 55 10284 1 . GLN 56 56 10284 1 . ASN 57 57 10284 1 . ALA 58 58 10284 1 . ARG 59 59 10284 1 . GLN 60 60 10284 1 . LYS 61 61 10284 1 . ALA 62 62 10284 1 . ARG 63 63 10284 1 . LYS 64 64 10284 1 . SER 65 65 10284 1 . GLY 66 66 10284 1 . PRO 67 67 10284 1 . SER 68 68 10284 1 . SER 69 69 10284 1 . GLY 70 70 10284 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 10284 _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 . . . . . . . . . . . . . . . . . . . . . 10284 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 10284 _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 . . P050620-20 . . . . . . 10284 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10284 _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 1.1 . . mM . . . . 10284 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10284 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10284 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10284 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10284 1 6 H2O . . . . . . solvent 90 . . % . . . . 10284 1 7 D2O . . . . . . solvent 10 . . % . . . . 10284 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 10284 _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 10284 1 pH 7.0 0.05 pH 10284 1 pressure 1 0.001 atm 10284 1 temperature 296 0.1 K 10284 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10284 _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 . . 10284 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10284 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10284 _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.' . . 10284 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10284 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10284 _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.' . . 10284 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10284 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10284 _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.' . . 10284 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10284 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10284 _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.' . . 10284 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10284 5 'structure solution' 10284 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 10284 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10284 _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 . 900 . . . 10284 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 10284 _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 . . . . . . . . . . . . . . . . 10284 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10284 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 10284 _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 . . . . . . . . . 10284 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10284 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10284 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 10284 _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 10284 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10284 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 10 10 SER HA H 1 4.461 0.030 . 1 . . . . 10 SER HA . 10284 1 2 . 1 1 10 10 SER HB2 H 1 3.861 0.030 . 1 . . . . 10 SER HB2 . 10284 1 3 . 1 1 10 10 SER HB3 H 1 3.861 0.030 . 1 . . . . 10 SER HB3 . 10284 1 4 . 1 1 10 10 SER C C 13 174.492 0.300 . 1 . . . . 10 SER C . 10284 1 5 . 1 1 10 10 SER CA C 13 58.479 0.300 . 1 . . . . 10 SER CA . 10284 1 6 . 1 1 10 10 SER CB C 13 63.932 0.300 . 1 . . . . 10 SER CB . 10284 1 7 . 1 1 11 11 ARG H H 1 8.318 0.030 . 1 . . . . 11 ARG H . 10284 1 8 . 1 1 11 11 ARG HA H 1 4.391 0.030 . 1 . . . . 11 ARG HA . 10284 1 9 . 1 1 11 11 ARG HB2 H 1 1.863 0.030 . 2 . . . . 11 ARG HB2 . 10284 1 10 . 1 1 11 11 ARG HB3 H 1 1.764 0.030 . 2 . . . . 11 ARG HB3 . 10284 1 11 . 1 1 11 11 ARG HD2 H 1 3.190 0.030 . 1 . . . . 11 ARG HD2 . 10284 1 12 . 1 1 11 11 ARG HD3 H 1 3.190 0.030 . 1 . . . . 11 ARG HD3 . 10284 1 13 . 1 1 11 11 ARG HG2 H 1 1.624 0.030 . 1 . . . . 11 ARG HG2 . 10284 1 14 . 1 1 11 11 ARG HG3 H 1 1.624 0.030 . 1 . . . . 11 ARG HG3 . 10284 1 15 . 1 1 11 11 ARG C C 13 176.264 0.300 . 1 . . . . 11 ARG C . 10284 1 16 . 1 1 11 11 ARG CA C 13 56.118 0.300 . 1 . . . . 11 ARG CA . 10284 1 17 . 1 1 11 11 ARG CB C 13 30.849 0.300 . 1 . . . . 11 ARG CB . 10284 1 18 . 1 1 11 11 ARG CD C 13 43.372 0.300 . 1 . . . . 11 ARG CD . 10284 1 19 . 1 1 11 11 ARG CG C 13 26.973 0.300 . 1 . . . . 11 ARG CG . 10284 1 20 . 1 1 11 11 ARG N N 15 122.795 0.300 . 1 . . . . 11 ARG N . 10284 1 21 . 1 1 12 12 THR H H 1 8.159 0.030 . 1 . . . . 12 THR H . 10284 1 22 . 1 1 12 12 THR HA H 1 4.150 0.030 . 1 . . . . 12 THR HA . 10284 1 23 . 1 1 12 12 THR HB H 1 3.932 0.030 . 1 . . . . 12 THR HB . 10284 1 24 . 1 1 12 12 THR HG21 H 1 0.924 0.030 . 1 . . . . 12 THR HG2 . 10284 1 25 . 1 1 12 12 THR HG22 H 1 0.924 0.030 . 1 . . . . 12 THR HG2 . 10284 1 26 . 1 1 12 12 THR HG23 H 1 0.924 0.030 . 1 . . . . 12 THR HG2 . 10284 1 27 . 1 1 12 12 THR C C 13 173.740 0.300 . 1 . . . . 12 THR C . 10284 1 28 . 1 1 12 12 THR CA C 13 62.463 0.300 . 1 . . . . 12 THR CA . 10284 1 29 . 1 1 12 12 THR CB C 13 69.770 0.300 . 1 . . . . 12 THR CB . 10284 1 30 . 1 1 12 12 THR CG2 C 13 21.548 0.300 . 1 . . . . 12 THR CG2 . 10284 1 31 . 1 1 12 12 THR N N 15 117.261 0.300 . 1 . . . . 12 THR N . 10284 1 32 . 1 1 13 13 ARG H H 1 8.319 0.030 . 1 . . . . 13 ARG H . 10284 1 33 . 1 1 13 13 ARG HA H 1 4.332 0.030 . 1 . . . . 13 ARG HA . 10284 1 34 . 1 1 13 13 ARG HB2 H 1 1.653 0.030 . 2 . . . . 13 ARG HB2 . 10284 1 35 . 1 1 13 13 ARG HB3 H 1 1.709 0.030 . 2 . . . . 13 ARG HB3 . 10284 1 36 . 1 1 13 13 ARG HD2 H 1 3.117 0.030 . 1 . . . . 13 ARG HD2 . 10284 1 37 . 1 1 13 13 ARG HD3 H 1 3.117 0.030 . 1 . . . . 13 ARG HD3 . 10284 1 38 . 1 1 13 13 ARG HG2 H 1 1.474 0.030 . 1 . . . . 13 ARG HG2 . 10284 1 39 . 1 1 13 13 ARG HG3 H 1 1.474 0.030 . 1 . . . . 13 ARG HG3 . 10284 1 40 . 1 1 13 13 ARG C C 13 175.560 0.300 . 1 . . . . 13 ARG C . 10284 1 41 . 1 1 13 13 ARG CA C 13 55.518 0.300 . 1 . . . . 13 ARG CA . 10284 1 42 . 1 1 13 13 ARG CB C 13 30.763 0.300 . 1 . . . . 13 ARG CB . 10284 1 43 . 1 1 13 13 ARG CD C 13 43.372 0.300 . 1 . . . . 13 ARG CD . 10284 1 44 . 1 1 13 13 ARG CG C 13 26.830 0.300 . 1 . . . . 13 ARG CG . 10284 1 45 . 1 1 13 13 ARG N N 15 125.163 0.300 . 1 . . . . 13 ARG N . 10284 1 46 . 1 1 14 14 PHE H H 1 8.195 0.030 . 1 . . . . 14 PHE H . 10284 1 47 . 1 1 14 14 PHE HA H 1 4.952 0.030 . 1 . . . . 14 PHE HA . 10284 1 48 . 1 1 14 14 PHE HB2 H 1 2.760 0.030 . 2 . . . . 14 PHE HB2 . 10284 1 49 . 1 1 14 14 PHE HB3 H 1 3.184 0.030 . 2 . . . . 14 PHE HB3 . 10284 1 50 . 1 1 14 14 PHE HD1 H 1 7.105 0.030 . 1 . . . . 14 PHE HD1 . 10284 1 51 . 1 1 14 14 PHE HD2 H 1 7.105 0.030 . 1 . . . . 14 PHE HD2 . 10284 1 52 . 1 1 14 14 PHE HE1 H 1 7.140 0.030 . 1 . . . . 14 PHE HE1 . 10284 1 53 . 1 1 14 14 PHE HE2 H 1 7.140 0.030 . 1 . . . . 14 PHE HE2 . 10284 1 54 . 1 1 14 14 PHE HZ H 1 7.259 0.030 . 1 . . . . 14 PHE HZ . 10284 1 55 . 1 1 14 14 PHE C C 13 176.993 0.300 . 1 . . . . 14 PHE C . 10284 1 56 . 1 1 14 14 PHE CA C 13 56.859 0.300 . 1 . . . . 14 PHE CA . 10284 1 57 . 1 1 14 14 PHE CB C 13 41.107 0.300 . 1 . . . . 14 PHE CB . 10284 1 58 . 1 1 14 14 PHE CD1 C 13 131.235 0.300 . 1 . . . . 14 PHE CD1 . 10284 1 59 . 1 1 14 14 PHE CD2 C 13 131.235 0.300 . 1 . . . . 14 PHE CD2 . 10284 1 60 . 1 1 14 14 PHE CE1 C 13 131.180 0.300 . 1 . . . . 14 PHE CE1 . 10284 1 61 . 1 1 14 14 PHE CE2 C 13 131.180 0.300 . 1 . . . . 14 PHE CE2 . 10284 1 62 . 1 1 14 14 PHE CZ C 13 129.184 0.300 . 1 . . . . 14 PHE CZ . 10284 1 63 . 1 1 14 14 PHE N N 15 121.558 0.300 . 1 . . . . 14 PHE N . 10284 1 64 . 1 1 15 15 THR H H 1 8.999 0.030 . 1 . . . . 15 THR H . 10284 1 65 . 1 1 15 15 THR HA H 1 4.491 0.030 . 1 . . . . 15 THR HA . 10284 1 66 . 1 1 15 15 THR HB H 1 4.808 0.030 . 1 . . . . 15 THR HB . 10284 1 67 . 1 1 15 15 THR HG21 H 1 1.358 0.030 . 1 . . . . 15 THR HG2 . 10284 1 68 . 1 1 15 15 THR HG22 H 1 1.358 0.030 . 1 . . . . 15 THR HG2 . 10284 1 69 . 1 1 15 15 THR HG23 H 1 1.358 0.030 . 1 . . . . 15 THR HG2 . 10284 1 70 . 1 1 15 15 THR C C 13 174.856 0.300 . 1 . . . . 15 THR C . 10284 1 71 . 1 1 15 15 THR CA C 13 60.559 0.300 . 1 . . . . 15 THR CA . 10284 1 72 . 1 1 15 15 THR CB C 13 70.890 0.300 . 1 . . . . 15 THR CB . 10284 1 73 . 1 1 15 15 THR CG2 C 13 21.824 0.300 . 1 . . . . 15 THR CG2 . 10284 1 74 . 1 1 15 15 THR N N 15 113.369 0.300 . 1 . . . . 15 THR N . 10284 1 75 . 1 1 16 16 ASP H H 1 8.906 0.030 . 1 . . . . 16 ASP H . 10284 1 76 . 1 1 16 16 ASP HA H 1 4.333 0.030 . 1 . . . . 16 ASP HA . 10284 1 77 . 1 1 16 16 ASP HB2 H 1 2.696 0.030 . 1 . . . . 16 ASP HB2 . 10284 1 78 . 1 1 16 16 ASP HB3 H 1 2.696 0.030 . 1 . . . . 16 ASP HB3 . 10284 1 79 . 1 1 16 16 ASP C C 13 178.764 0.300 . 1 . . . . 16 ASP C . 10284 1 80 . 1 1 16 16 ASP CA C 13 57.911 0.300 . 1 . . . . 16 ASP CA . 10284 1 81 . 1 1 16 16 ASP CB C 13 39.994 0.300 . 1 . . . . 16 ASP CB . 10284 1 82 . 1 1 16 16 ASP N N 15 120.884 0.300 . 1 . . . . 16 ASP N . 10284 1 83 . 1 1 17 17 TYR H H 1 8.356 0.030 . 1 . . . . 17 TYR H . 10284 1 84 . 1 1 17 17 TYR HA H 1 4.211 0.030 . 1 . . . . 17 TYR HA . 10284 1 85 . 1 1 17 17 TYR HB2 H 1 2.706 0.030 . 2 . . . . 17 TYR HB2 . 10284 1 86 . 1 1 17 17 TYR HB3 H 1 3.267 0.030 . 2 . . . . 17 TYR HB3 . 10284 1 87 . 1 1 17 17 TYR HD1 H 1 7.034 0.030 . 1 . . . . 17 TYR HD1 . 10284 1 88 . 1 1 17 17 TYR HD2 H 1 7.034 0.030 . 1 . . . . 17 TYR HD2 . 10284 1 89 . 1 1 17 17 TYR HE1 H 1 6.706 0.030 . 1 . . . . 17 TYR HE1 . 10284 1 90 . 1 1 17 17 TYR HE2 H 1 6.706 0.030 . 1 . . . . 17 TYR HE2 . 10284 1 91 . 1 1 17 17 TYR C C 13 176.264 0.300 . 1 . . . . 17 TYR C . 10284 1 92 . 1 1 17 17 TYR CA C 13 61.045 0.300 . 1 . . . . 17 TYR CA . 10284 1 93 . 1 1 17 17 TYR CB C 13 38.666 0.300 . 1 . . . . 17 TYR CB . 10284 1 94 . 1 1 17 17 TYR CD1 C 13 132.920 0.300 . 1 . . . . 17 TYR CD1 . 10284 1 95 . 1 1 17 17 TYR CD2 C 13 132.920 0.300 . 1 . . . . 17 TYR CD2 . 10284 1 96 . 1 1 17 17 TYR CE1 C 13 118.432 0.300 . 1 . . . . 17 TYR CE1 . 10284 1 97 . 1 1 17 17 TYR CE2 C 13 118.432 0.300 . 1 . . . . 17 TYR CE2 . 10284 1 98 . 1 1 17 17 TYR N N 15 119.909 0.300 . 1 . . . . 17 TYR N . 10284 1 99 . 1 1 18 18 GLN H H 1 7.582 0.030 . 1 . . . . 18 GLN H . 10284 1 100 . 1 1 18 18 GLN HA H 1 3.482 0.030 . 1 . . . . 18 GLN HA . 10284 1 101 . 1 1 18 18 GLN HB2 H 1 1.517 0.030 . 2 . . . . 18 GLN HB2 . 10284 1 102 . 1 1 18 18 GLN HB3 H 1 2.585 0.030 . 2 . . . . 18 GLN HB3 . 10284 1 103 . 1 1 18 18 GLN HE21 H 1 7.631 0.030 . 2 . . . . 18 GLN HE21 . 10284 1 104 . 1 1 18 18 GLN HE22 H 1 6.871 0.030 . 2 . . . . 18 GLN HE22 . 10284 1 105 . 1 1 18 18 GLN HG2 H 1 2.769 0.030 . 2 . . . . 18 GLN HG2 . 10284 1 106 . 1 1 18 18 GLN HG3 H 1 2.416 0.030 . 2 . . . . 18 GLN HG3 . 10284 1 107 . 1 1 18 18 GLN C C 13 177.502 0.300 . 1 . . . . 18 GLN C . 10284 1 108 . 1 1 18 18 GLN CA C 13 58.726 0.300 . 1 . . . . 18 GLN CA . 10284 1 109 . 1 1 18 18 GLN CB C 13 27.717 0.300 . 1 . . . . 18 GLN CB . 10284 1 110 . 1 1 18 18 GLN CG C 13 34.969 0.300 . 1 . . . . 18 GLN CG . 10284 1 111 . 1 1 18 18 GLN N N 15 116.647 0.300 . 1 . . . . 18 GLN N . 10284 1 112 . 1 1 18 18 GLN NE2 N 15 111.142 0.300 . 1 . . . . 18 GLN NE2 . 10284 1 113 . 1 1 19 19 LEU H H 1 8.170 0.030 . 1 . . . . 19 LEU H . 10284 1 114 . 1 1 19 19 LEU HA H 1 3.508 0.030 . 1 . . . . 19 LEU HA . 10284 1 115 . 1 1 19 19 LEU HB2 H 1 1.442 0.030 . 2 . . . . 19 LEU HB2 . 10284 1 116 . 1 1 19 19 LEU HB3 H 1 1.711 0.030 . 2 . . . . 19 LEU HB3 . 10284 1 117 . 1 1 19 19 LEU HD11 H 1 0.907 0.030 . 1 . . . . 19 LEU HD1 . 10284 1 118 . 1 1 19 19 LEU HD12 H 1 0.907 0.030 . 1 . . . . 19 LEU HD1 . 10284 1 119 . 1 1 19 19 LEU HD13 H 1 0.907 0.030 . 1 . . . . 19 LEU HD1 . 10284 1 120 . 1 1 19 19 LEU HD21 H 1 0.717 0.030 . 1 . . . . 19 LEU HD2 . 10284 1 121 . 1 1 19 19 LEU HD22 H 1 0.717 0.030 . 1 . . . . 19 LEU HD2 . 10284 1 122 . 1 1 19 19 LEU HD23 H 1 0.717 0.030 . 1 . . . . 19 LEU HD2 . 10284 1 123 . 1 1 19 19 LEU HG H 1 1.626 0.030 . 1 . . . . 19 LEU HG . 10284 1 124 . 1 1 19 19 LEU C C 13 178.546 0.300 . 1 . . . . 19 LEU C . 10284 1 125 . 1 1 19 19 LEU CA C 13 57.625 0.300 . 1 . . . . 19 LEU CA . 10284 1 126 . 1 1 19 19 LEU CB C 13 41.812 0.300 . 1 . . . . 19 LEU CB . 10284 1 127 . 1 1 19 19 LEU CD1 C 13 25.123 0.300 . 2 . . . . 19 LEU CD1 . 10284 1 128 . 1 1 19 19 LEU CD2 C 13 23.443 0.300 . 2 . . . . 19 LEU CD2 . 10284 1 129 . 1 1 19 19 LEU CG C 13 26.795 0.300 . 1 . . . . 19 LEU CG . 10284 1 130 . 1 1 19 19 LEU N N 15 115.406 0.300 . 1 . . . . 19 LEU N . 10284 1 131 . 1 1 20 20 ARG H H 1 7.792 0.030 . 1 . . . . 20 ARG H . 10284 1 132 . 1 1 20 20 ARG HA H 1 3.917 0.030 . 1 . . . . 20 ARG HA . 10284 1 133 . 1 1 20 20 ARG HB2 H 1 1.850 0.030 . 2 . . . . 20 ARG HB2 . 10284 1 134 . 1 1 20 20 ARG HB3 H 1 1.909 0.030 . 2 . . . . 20 ARG HB3 . 10284 1 135 . 1 1 20 20 ARG HD2 H 1 3.187 0.030 . 2 . . . . 20 ARG HD2 . 10284 1 136 . 1 1 20 20 ARG HG2 H 1 1.633 0.030 . 1 . . . . 20 ARG HG2 . 10284 1 137 . 1 1 20 20 ARG HG3 H 1 1.633 0.030 . 1 . . . . 20 ARG HG3 . 10284 1 138 . 1 1 20 20 ARG C C 13 178.036 0.300 . 1 . . . . 20 ARG C . 10284 1 139 . 1 1 20 20 ARG CA C 13 59.026 0.300 . 1 . . . . 20 ARG CA . 10284 1 140 . 1 1 20 20 ARG CB C 13 29.861 0.300 . 1 . . . . 20 ARG CB . 10284 1 141 . 1 1 20 20 ARG CD C 13 43.537 0.300 . 1 . . . . 20 ARG CD . 10284 1 142 . 1 1 20 20 ARG CG C 13 26.812 0.300 . 1 . . . . 20 ARG CG . 10284 1 143 . 1 1 20 20 ARG N N 15 120.360 0.300 . 1 . . . . 20 ARG N . 10284 1 144 . 1 1 21 21 VAL H H 1 7.601 0.030 . 1 . . . . 21 VAL H . 10284 1 145 . 1 1 21 21 VAL HA H 1 3.533 0.030 . 1 . . . . 21 VAL HA . 10284 1 146 . 1 1 21 21 VAL HB H 1 1.679 0.030 . 1 . . . . 21 VAL HB . 10284 1 147 . 1 1 21 21 VAL HG11 H 1 0.758 0.030 . 1 . . . . 21 VAL HG1 . 10284 1 148 . 1 1 21 21 VAL HG12 H 1 0.758 0.030 . 1 . . . . 21 VAL HG1 . 10284 1 149 . 1 1 21 21 VAL HG13 H 1 0.758 0.030 . 1 . . . . 21 VAL HG1 . 10284 1 150 . 1 1 21 21 VAL HG21 H 1 0.484 0.030 . 1 . . . . 21 VAL HG2 . 10284 1 151 . 1 1 21 21 VAL HG22 H 1 0.484 0.030 . 1 . . . . 21 VAL HG2 . 10284 1 152 . 1 1 21 21 VAL HG23 H 1 0.484 0.030 . 1 . . . . 21 VAL HG2 . 10284 1 153 . 1 1 21 21 VAL C C 13 179.541 0.300 . 1 . . . . 21 VAL C . 10284 1 154 . 1 1 21 21 VAL CA C 13 66.327 0.300 . 1 . . . . 21 VAL CA . 10284 1 155 . 1 1 21 21 VAL CB C 13 31.509 0.300 . 1 . . . . 21 VAL CB . 10284 1 156 . 1 1 21 21 VAL CG1 C 13 21.454 0.300 . 2 . . . . 21 VAL CG1 . 10284 1 157 . 1 1 21 21 VAL CG2 C 13 22.115 0.300 . 2 . . . . 21 VAL CG2 . 10284 1 158 . 1 1 21 21 VAL N N 15 119.151 0.300 . 1 . . . . 21 VAL N . 10284 1 159 . 1 1 22 22 LEU H H 1 7.898 0.030 . 1 . . . . 22 LEU H . 10284 1 160 . 1 1 22 22 LEU HA H 1 3.513 0.030 . 1 . . . . 22 LEU HA . 10284 1 161 . 1 1 22 22 LEU HB2 H 1 -0.779 0.030 . 2 . . . . 22 LEU HB2 . 10284 1 162 . 1 1 22 22 LEU HB3 H 1 0.560 0.030 . 2 . . . . 22 LEU HB3 . 10284 1 163 . 1 1 22 22 LEU HD11 H 1 -0.663 0.030 . 1 . . . . 22 LEU HD1 . 10284 1 164 . 1 1 22 22 LEU HD12 H 1 -0.663 0.030 . 1 . . . . 22 LEU HD1 . 10284 1 165 . 1 1 22 22 LEU HD13 H 1 -0.663 0.030 . 1 . . . . 22 LEU HD1 . 10284 1 166 . 1 1 22 22 LEU HD21 H 1 0.445 0.030 . 1 . . . . 22 LEU HD2 . 10284 1 167 . 1 1 22 22 LEU HD22 H 1 0.445 0.030 . 1 . . . . 22 LEU HD2 . 10284 1 168 . 1 1 22 22 LEU HD23 H 1 0.445 0.030 . 1 . . . . 22 LEU HD2 . 10284 1 169 . 1 1 22 22 LEU HG H 1 1.175 0.030 . 1 . . . . 22 LEU HG . 10284 1 170 . 1 1 22 22 LEU C C 13 177.527 0.300 . 1 . . . . 22 LEU C . 10284 1 171 . 1 1 22 22 LEU CA C 13 58.181 0.300 . 1 . . . . 22 LEU CA . 10284 1 172 . 1 1 22 22 LEU CB C 13 38.573 0.300 . 1 . . . . 22 LEU CB . 10284 1 173 . 1 1 22 22 LEU CD1 C 13 23.842 0.300 . 2 . . . . 22 LEU CD1 . 10284 1 174 . 1 1 22 22 LEU CD2 C 13 23.735 0.300 . 2 . . . . 22 LEU CD2 . 10284 1 175 . 1 1 22 22 LEU CG C 13 25.712 0.300 . 1 . . . . 22 LEU CG . 10284 1 176 . 1 1 22 22 LEU N N 15 119.825 0.300 . 1 . . . . 22 LEU N . 10284 1 177 . 1 1 23 23 GLN H H 1 8.171 0.030 . 1 . . . . 23 GLN H . 10284 1 178 . 1 1 23 23 GLN HA H 1 3.925 0.030 . 1 . . . . 23 GLN HA . 10284 1 179 . 1 1 23 23 GLN HB2 H 1 2.249 0.030 . 2 . . . . 23 GLN HB2 . 10284 1 180 . 1 1 23 23 GLN HB3 H 1 2.104 0.030 . 2 . . . . 23 GLN HB3 . 10284 1 181 . 1 1 23 23 GLN HE21 H 1 8.062 0.030 . 2 . . . . 23 GLN HE21 . 10284 1 182 . 1 1 23 23 GLN HE22 H 1 6.510 0.030 . 2 . . . . 23 GLN HE22 . 10284 1 183 . 1 1 23 23 GLN HG2 H 1 2.551 0.030 . 2 . . . . 23 GLN HG2 . 10284 1 184 . 1 1 23 23 GLN HG3 H 1 2.393 0.030 . 2 . . . . 23 GLN HG3 . 10284 1 185 . 1 1 23 23 GLN C C 13 178.061 0.300 . 1 . . . . 23 GLN C . 10284 1 186 . 1 1 23 23 GLN CA C 13 58.832 0.300 . 1 . . . . 23 GLN CA . 10284 1 187 . 1 1 23 23 GLN CB C 13 28.769 0.300 . 1 . . . . 23 GLN CB . 10284 1 188 . 1 1 23 23 GLN CG C 13 34.145 0.300 . 1 . . . . 23 GLN CG . 10284 1 189 . 1 1 23 23 GLN N N 15 118.186 0.300 . 1 . . . . 23 GLN N . 10284 1 190 . 1 1 23 23 GLN NE2 N 15 114.674 0.300 . 1 . . . . 23 GLN NE2 . 10284 1 191 . 1 1 24 24 ASP H H 1 8.446 0.030 . 1 . . . . 24 ASP H . 10284 1 192 . 1 1 24 24 ASP HA H 1 4.373 0.030 . 1 . . . . 24 ASP HA . 10284 1 193 . 1 1 24 24 ASP HB2 H 1 2.580 0.030 . 2 . . . . 24 ASP HB2 . 10284 1 194 . 1 1 24 24 ASP HB3 H 1 2.853 0.030 . 2 . . . . 24 ASP HB3 . 10284 1 195 . 1 1 24 24 ASP C C 13 179.347 0.300 . 1 . . . . 24 ASP C . 10284 1 196 . 1 1 24 24 ASP CA C 13 57.294 0.300 . 1 . . . . 24 ASP CA . 10284 1 197 . 1 1 24 24 ASP CB C 13 40.035 0.300 . 1 . . . . 24 ASP CB . 10284 1 198 . 1 1 24 24 ASP N N 15 118.634 0.300 . 1 . . . . 24 ASP N . 10284 1 199 . 1 1 25 25 PHE H H 1 8.224 0.030 . 1 . . . . 25 PHE H . 10284 1 200 . 1 1 25 25 PHE HA H 1 4.062 0.030 . 1 . . . . 25 PHE HA . 10284 1 201 . 1 1 25 25 PHE HB2 H 1 3.182 0.030 . 2 . . . . 25 PHE HB2 . 10284 1 202 . 1 1 25 25 PHE HB3 H 1 3.515 0.030 . 2 . . . . 25 PHE HB3 . 10284 1 203 . 1 1 25 25 PHE HD1 H 1 7.395 0.030 . 1 . . . . 25 PHE HD1 . 10284 1 204 . 1 1 25 25 PHE HD2 H 1 7.395 0.030 . 1 . . . . 25 PHE HD2 . 10284 1 205 . 1 1 25 25 PHE HE1 H 1 7.139 0.030 . 1 . . . . 25 PHE HE1 . 10284 1 206 . 1 1 25 25 PHE HE2 H 1 7.139 0.030 . 1 . . . . 25 PHE HE2 . 10284 1 207 . 1 1 25 25 PHE HZ H 1 7.062 0.030 . 1 . . . . 25 PHE HZ . 10284 1 208 . 1 1 25 25 PHE C C 13 177.891 0.300 . 1 . . . . 25 PHE C . 10284 1 209 . 1 1 25 25 PHE CA C 13 61.546 0.300 . 1 . . . . 25 PHE CA . 10284 1 210 . 1 1 25 25 PHE CB C 13 39.246 0.300 . 1 . . . . 25 PHE CB . 10284 1 211 . 1 1 25 25 PHE CD1 C 13 132.601 0.300 . 1 . . . . 25 PHE CD1 . 10284 1 212 . 1 1 25 25 PHE CD2 C 13 132.601 0.300 . 1 . . . . 25 PHE CD2 . 10284 1 213 . 1 1 25 25 PHE CE1 C 13 131.294 0.300 . 1 . . . . 25 PHE CE1 . 10284 1 214 . 1 1 25 25 PHE CE2 C 13 131.294 0.300 . 1 . . . . 25 PHE CE2 . 10284 1 215 . 1 1 25 25 PHE CZ C 13 129.522 0.300 . 1 . . . . 25 PHE CZ . 10284 1 216 . 1 1 25 25 PHE N N 15 121.633 0.300 . 1 . . . . 25 PHE N . 10284 1 217 . 1 1 26 26 PHE H H 1 9.167 0.030 . 1 . . . . 26 PHE H . 10284 1 218 . 1 1 26 26 PHE HA H 1 4.302 0.030 . 1 . . . . 26 PHE HA . 10284 1 219 . 1 1 26 26 PHE HB2 H 1 3.298 0.030 . 2 . . . . 26 PHE HB2 . 10284 1 220 . 1 1 26 26 PHE HB3 H 1 3.148 0.030 . 2 . . . . 26 PHE HB3 . 10284 1 221 . 1 1 26 26 PHE HD1 H 1 7.189 0.030 . 1 . . . . 26 PHE HD1 . 10284 1 222 . 1 1 26 26 PHE HD2 H 1 7.189 0.030 . 1 . . . . 26 PHE HD2 . 10284 1 223 . 1 1 26 26 PHE HE1 H 1 7.190 0.030 . 1 . . . . 26 PHE HE1 . 10284 1 224 . 1 1 26 26 PHE HE2 H 1 7.190 0.030 . 1 . . . . 26 PHE HE2 . 10284 1 225 . 1 1 26 26 PHE HZ H 1 6.853 0.030 . 1 . . . . 26 PHE HZ . 10284 1 226 . 1 1 26 26 PHE C C 13 176.531 0.300 . 1 . . . . 26 PHE C . 10284 1 227 . 1 1 26 26 PHE CA C 13 61.476 0.300 . 1 . . . . 26 PHE CA . 10284 1 228 . 1 1 26 26 PHE CB C 13 39.471 0.300 . 1 . . . . 26 PHE CB . 10284 1 229 . 1 1 26 26 PHE CD1 C 13 131.986 0.300 . 1 . . . . 26 PHE CD1 . 10284 1 230 . 1 1 26 26 PHE CD2 C 13 131.986 0.300 . 1 . . . . 26 PHE CD2 . 10284 1 231 . 1 1 26 26 PHE CE1 C 13 131.106 0.300 . 1 . . . . 26 PHE CE1 . 10284 1 232 . 1 1 26 26 PHE CE2 C 13 131.106 0.300 . 1 . . . . 26 PHE CE2 . 10284 1 233 . 1 1 26 26 PHE CZ C 13 128.523 0.300 . 1 . . . . 26 PHE CZ . 10284 1 234 . 1 1 26 26 PHE N N 15 121.265 0.300 . 1 . . . . 26 PHE N . 10284 1 235 . 1 1 27 27 ASP H H 1 8.654 0.030 . 1 . . . . 27 ASP H . 10284 1 236 . 1 1 27 27 ASP HA H 1 4.238 0.030 . 1 . . . . 27 ASP HA . 10284 1 237 . 1 1 27 27 ASP HB2 H 1 2.769 0.030 . 2 . . . . 27 ASP HB2 . 10284 1 238 . 1 1 27 27 ASP HB3 H 1 2.637 0.030 . 2 . . . . 27 ASP HB3 . 10284 1 239 . 1 1 27 27 ASP C C 13 177.429 0.300 . 1 . . . . 27 ASP C . 10284 1 240 . 1 1 27 27 ASP CA C 13 56.717 0.300 . 1 . . . . 27 ASP CA . 10284 1 241 . 1 1 27 27 ASP CB C 13 40.406 0.300 . 1 . . . . 27 ASP CB . 10284 1 242 . 1 1 27 27 ASP N N 15 116.555 0.300 . 1 . . . . 27 ASP N . 10284 1 243 . 1 1 28 28 ALA H H 1 7.262 0.030 . 1 . . . . 28 ALA H . 10284 1 244 . 1 1 28 28 ALA HA H 1 4.316 0.030 . 1 . . . . 28 ALA HA . 10284 1 245 . 1 1 28 28 ALA HB1 H 1 1.278 0.030 . 1 . . . . 28 ALA HB . 10284 1 246 . 1 1 28 28 ALA HB2 H 1 1.278 0.030 . 1 . . . . 28 ALA HB . 10284 1 247 . 1 1 28 28 ALA HB3 H 1 1.278 0.030 . 1 . . . . 28 ALA HB . 10284 1 248 . 1 1 28 28 ALA C C 13 177.891 0.300 . 1 . . . . 28 ALA C . 10284 1 249 . 1 1 28 28 ALA CA C 13 52.839 0.300 . 1 . . . . 28 ALA CA . 10284 1 250 . 1 1 28 28 ALA CB C 13 19.698 0.300 . 1 . . . . 28 ALA CB . 10284 1 251 . 1 1 28 28 ALA N N 15 120.441 0.300 . 1 . . . . 28 ALA N . 10284 1 252 . 1 1 29 29 ASN H H 1 8.346 0.030 . 1 . . . . 29 ASN H . 10284 1 253 . 1 1 29 29 ASN HA H 1 4.432 0.030 . 1 . . . . 29 ASN HA . 10284 1 254 . 1 1 29 29 ASN HB2 H 1 2.571 0.030 . 2 . . . . 29 ASN HB2 . 10284 1 255 . 1 1 29 29 ASN HB3 H 1 2.500 0.030 . 2 . . . . 29 ASN HB3 . 10284 1 256 . 1 1 29 29 ASN HD21 H 1 7.328 0.030 . 2 . . . . 29 ASN HD21 . 10284 1 257 . 1 1 29 29 ASN HD22 H 1 6.667 0.030 . 2 . . . . 29 ASN HD22 . 10284 1 258 . 1 1 29 29 ASN C C 13 172.259 0.300 . 1 . . . . 29 ASN C . 10284 1 259 . 1 1 29 29 ASN CA C 13 52.943 0.300 . 1 . . . . 29 ASN CA . 10284 1 260 . 1 1 29 29 ASN CB C 13 38.435 0.300 . 1 . . . . 29 ASN CB . 10284 1 261 . 1 1 29 29 ASN N N 15 118.701 0.300 . 1 . . . . 29 ASN N . 10284 1 262 . 1 1 29 29 ASN ND2 N 15 111.313 0.300 . 1 . . . . 29 ASN ND2 . 10284 1 263 . 1 1 30 30 ALA H H 1 8.177 0.030 . 1 . . . . 30 ALA H . 10284 1 264 . 1 1 30 30 ALA HA H 1 4.010 0.030 . 1 . . . . 30 ALA HA . 10284 1 265 . 1 1 30 30 ALA HB1 H 1 0.836 0.030 . 1 . . . . 30 ALA HB . 10284 1 266 . 1 1 30 30 ALA HB2 H 1 0.836 0.030 . 1 . . . . 30 ALA HB . 10284 1 267 . 1 1 30 30 ALA HB3 H 1 0.836 0.030 . 1 . . . . 30 ALA HB . 10284 1 268 . 1 1 30 30 ALA C C 13 176.798 0.300 . 1 . . . . 30 ALA C . 10284 1 269 . 1 1 30 30 ALA CA C 13 52.980 0.300 . 1 . . . . 30 ALA CA . 10284 1 270 . 1 1 30 30 ALA CB C 13 19.233 0.300 . 1 . . . . 30 ALA CB . 10284 1 271 . 1 1 30 30 ALA N N 15 124.112 0.300 . 1 . . . . 30 ALA N . 10284 1 272 . 1 1 31 31 TYR H H 1 7.984 0.030 . 1 . . . . 31 TYR H . 10284 1 273 . 1 1 31 31 TYR HA H 1 4.672 0.030 . 1 . . . . 31 TYR HA . 10284 1 274 . 1 1 31 31 TYR HB2 H 1 2.994 0.030 . 2 . . . . 31 TYR HB2 . 10284 1 275 . 1 1 31 31 TYR HB3 H 1 2.731 0.030 . 2 . . . . 31 TYR HB3 . 10284 1 276 . 1 1 31 31 TYR HD1 H 1 7.125 0.030 . 1 . . . . 31 TYR HD1 . 10284 1 277 . 1 1 31 31 TYR HD2 H 1 7.125 0.030 . 1 . . . . 31 TYR HD2 . 10284 1 278 . 1 1 31 31 TYR HE1 H 1 6.810 0.030 . 1 . . . . 31 TYR HE1 . 10284 1 279 . 1 1 31 31 TYR HE2 H 1 6.810 0.030 . 1 . . . . 31 TYR HE2 . 10284 1 280 . 1 1 31 31 TYR C C 13 172.283 0.300 . 1 . . . . 31 TYR C . 10284 1 281 . 1 1 31 31 TYR CA C 13 55.483 0.300 . 1 . . . . 31 TYR CA . 10284 1 282 . 1 1 31 31 TYR CB C 13 39.058 0.300 . 1 . . . . 31 TYR CB . 10284 1 283 . 1 1 31 31 TYR CD1 C 13 133.708 0.300 . 1 . . . . 31 TYR CD1 . 10284 1 284 . 1 1 31 31 TYR CD2 C 13 133.708 0.300 . 1 . . . . 31 TYR CD2 . 10284 1 285 . 1 1 31 31 TYR CE1 C 13 117.919 0.300 . 1 . . . . 31 TYR CE1 . 10284 1 286 . 1 1 31 31 TYR CE2 C 13 117.919 0.300 . 1 . . . . 31 TYR CE2 . 10284 1 287 . 1 1 31 31 TYR N N 15 115.568 0.300 . 1 . . . . 31 TYR N . 10284 1 288 . 1 1 32 32 PRO HA H 1 4.249 0.030 . 1 . . . . 32 PRO HA . 10284 1 289 . 1 1 32 32 PRO HB2 H 1 -0.099 0.030 . 2 . . . . 32 PRO HB2 . 10284 1 290 . 1 1 32 32 PRO HB3 H 1 1.272 0.030 . 2 . . . . 32 PRO HB3 . 10284 1 291 . 1 1 32 32 PRO HD2 H 1 3.290 0.030 . 2 . . . . 32 PRO HD2 . 10284 1 292 . 1 1 32 32 PRO HD3 H 1 2.708 0.030 . 2 . . . . 32 PRO HD3 . 10284 1 293 . 1 1 32 32 PRO HG2 H 1 0.846 0.030 . 2 . . . . 32 PRO HG2 . 10284 1 294 . 1 1 32 32 PRO HG3 H 1 -0.039 0.030 . 2 . . . . 32 PRO HG3 . 10284 1 295 . 1 1 32 32 PRO C C 13 176.871 0.300 . 1 . . . . 32 PRO C . 10284 1 296 . 1 1 32 32 PRO CA C 13 62.710 0.300 . 1 . . . . 32 PRO CA . 10284 1 297 . 1 1 32 32 PRO CB C 13 29.959 0.300 . 1 . . . . 32 PRO CB . 10284 1 298 . 1 1 32 32 PRO CD C 13 49.662 0.300 . 1 . . . . 32 PRO CD . 10284 1 299 . 1 1 32 32 PRO CG C 13 27.472 0.300 . 1 . . . . 32 PRO CG . 10284 1 300 . 1 1 33 33 LYS H H 1 9.168 0.030 . 1 . . . . 33 LYS H . 10284 1 301 . 1 1 33 33 LYS HA H 1 4.426 0.030 . 1 . . . . 33 LYS HA . 10284 1 302 . 1 1 33 33 LYS HB2 H 1 1.727 0.030 . 2 . . . . 33 LYS HB2 . 10284 1 303 . 1 1 33 33 LYS HB3 H 1 2.138 0.030 . 2 . . . . 33 LYS HB3 . 10284 1 304 . 1 1 33 33 LYS HD2 H 1 1.773 0.030 . 2 . . . . 33 LYS HD2 . 10284 1 305 . 1 1 33 33 LYS HD3 H 1 1.699 0.030 . 2 . . . . 33 LYS HD3 . 10284 1 306 . 1 1 33 33 LYS HE2 H 1 3.041 0.030 . 1 . . . . 33 LYS HE2 . 10284 1 307 . 1 1 33 33 LYS HE3 H 1 3.041 0.030 . 1 . . . . 33 LYS HE3 . 10284 1 308 . 1 1 33 33 LYS HG2 H 1 1.647 0.030 . 2 . . . . 33 LYS HG2 . 10284 1 309 . 1 1 33 33 LYS HG3 H 1 1.558 0.030 . 2 . . . . 33 LYS HG3 . 10284 1 310 . 1 1 33 33 LYS C C 13 178.061 0.300 . 1 . . . . 33 LYS C . 10284 1 311 . 1 1 33 33 LYS CA C 13 55.236 0.300 . 1 . . . . 33 LYS CA . 10284 1 312 . 1 1 33 33 LYS CB C 13 33.980 0.300 . 1 . . . . 33 LYS CB . 10284 1 313 . 1 1 33 33 LYS CD C 13 28.901 0.300 . 1 . . . . 33 LYS CD . 10284 1 314 . 1 1 33 33 LYS CE C 13 42.093 0.300 . 1 . . . . 33 LYS CE . 10284 1 315 . 1 1 33 33 LYS CG C 13 25.412 0.300 . 1 . . . . 33 LYS CG . 10284 1 316 . 1 1 33 33 LYS N N 15 121.451 0.300 . 1 . . . . 33 LYS N . 10284 1 317 . 1 1 34 34 ASP H H 1 9.017 0.030 . 1 . . . . 34 ASP H . 10284 1 318 . 1 1 34 34 ASP HA H 1 4.566 0.030 . 1 . . . . 34 ASP HA . 10284 1 319 . 1 1 34 34 ASP HB2 H 1 2.719 0.030 . 2 . . . . 34 ASP HB2 . 10284 1 320 . 1 1 34 34 ASP HB3 H 1 2.825 0.030 . 2 . . . . 34 ASP HB3 . 10284 1 321 . 1 1 34 34 ASP C C 13 179.007 0.300 . 1 . . . . 34 ASP C . 10284 1 322 . 1 1 34 34 ASP CA C 13 58.973 0.300 . 1 . . . . 34 ASP CA . 10284 1 323 . 1 1 34 34 ASP CB C 13 39.834 0.300 . 1 . . . . 34 ASP CB . 10284 1 324 . 1 1 34 34 ASP N N 15 122.268 0.300 . 1 . . . . 34 ASP N . 10284 1 325 . 1 1 35 35 ASP H H 1 8.955 0.030 . 1 . . . . 35 ASP H . 10284 1 326 . 1 1 35 35 ASP HA H 1 4.408 0.030 . 1 . . . . 35 ASP HA . 10284 1 327 . 1 1 35 35 ASP HB2 H 1 2.685 0.030 . 2 . . . . 35 ASP HB2 . 10284 1 328 . 1 1 35 35 ASP HB3 H 1 2.610 0.030 . 2 . . . . 35 ASP HB3 . 10284 1 329 . 1 1 35 35 ASP C C 13 178.837 0.300 . 1 . . . . 35 ASP C . 10284 1 330 . 1 1 35 35 ASP CA C 13 56.611 0.300 . 1 . . . . 35 ASP CA . 10284 1 331 . 1 1 35 35 ASP CB C 13 39.609 0.300 . 1 . . . . 35 ASP CB . 10284 1 332 . 1 1 35 35 ASP N N 15 116.861 0.300 . 1 . . . . 35 ASP N . 10284 1 333 . 1 1 36 36 GLU H H 1 7.208 0.030 . 1 . . . . 36 GLU H . 10284 1 334 . 1 1 36 36 GLU HA H 1 4.051 0.030 . 1 . . . . 36 GLU HA . 10284 1 335 . 1 1 36 36 GLU HB2 H 1 1.734 0.030 . 2 . . . . 36 GLU HB2 . 10284 1 336 . 1 1 36 36 GLU HB3 H 1 2.277 0.030 . 2 . . . . 36 GLU HB3 . 10284 1 337 . 1 1 36 36 GLU HG2 H 1 2.305 0.030 . 2 . . . . 36 GLU HG2 . 10284 1 338 . 1 1 36 36 GLU HG3 H 1 2.280 0.030 . 2 . . . . 36 GLU HG3 . 10284 1 339 . 1 1 36 36 GLU C C 13 179.226 0.300 . 1 . . . . 36 GLU C . 10284 1 340 . 1 1 36 36 GLU CA C 13 58.761 0.300 . 1 . . . . 36 GLU CA . 10284 1 341 . 1 1 36 36 GLU CB C 13 29.689 0.300 . 1 . . . . 36 GLU CB . 10284 1 342 . 1 1 36 36 GLU CG C 13 37.808 0.300 . 1 . . . . 36 GLU CG . 10284 1 343 . 1 1 36 36 GLU N N 15 121.585 0.300 . 1 . . . . 36 GLU N . 10284 1 344 . 1 1 37 37 PHE H H 1 7.997 0.030 . 1 . . . . 37 PHE H . 10284 1 345 . 1 1 37 37 PHE HA H 1 4.164 0.030 . 1 . . . . 37 PHE HA . 10284 1 346 . 1 1 37 37 PHE HB2 H 1 2.872 0.030 . 2 . . . . 37 PHE HB2 . 10284 1 347 . 1 1 37 37 PHE HB3 H 1 3.118 0.030 . 2 . . . . 37 PHE HB3 . 10284 1 348 . 1 1 37 37 PHE HD1 H 1 6.924 0.030 . 1 . . . . 37 PHE HD1 . 10284 1 349 . 1 1 37 37 PHE HD2 H 1 6.924 0.030 . 1 . . . . 37 PHE HD2 . 10284 1 350 . 1 1 37 37 PHE HE1 H 1 6.907 0.030 . 1 . . . . 37 PHE HE1 . 10284 1 351 . 1 1 37 37 PHE HE2 H 1 6.907 0.030 . 1 . . . . 37 PHE HE2 . 10284 1 352 . 1 1 37 37 PHE HZ H 1 7.085 0.030 . 1 . . . . 37 PHE HZ . 10284 1 353 . 1 1 37 37 PHE C C 13 178.400 0.300 . 1 . . . . 37 PHE C . 10284 1 354 . 1 1 37 37 PHE CA C 13 61.915 0.300 . 1 . . . . 37 PHE CA . 10284 1 355 . 1 1 37 37 PHE CB C 13 38.320 0.300 . 1 . . . . 37 PHE CB . 10284 1 356 . 1 1 37 37 PHE CD1 C 13 130.513 0.300 . 1 . . . . 37 PHE CD1 . 10284 1 357 . 1 1 37 37 PHE CD2 C 13 130.513 0.300 . 1 . . . . 37 PHE CD2 . 10284 1 358 . 1 1 37 37 PHE CE1 C 13 131.913 0.300 . 1 . . . . 37 PHE CE1 . 10284 1 359 . 1 1 37 37 PHE CE2 C 13 131.913 0.300 . 1 . . . . 37 PHE CE2 . 10284 1 360 . 1 1 37 37 PHE CZ C 13 129.457 0.300 . 1 . . . . 37 PHE CZ . 10284 1 361 . 1 1 37 37 PHE N N 15 118.258 0.300 . 1 . . . . 37 PHE N . 10284 1 362 . 1 1 38 38 GLU H H 1 7.806 0.030 . 1 . . . . 38 GLU H . 10284 1 363 . 1 1 38 38 GLU HA H 1 4.027 0.030 . 1 . . . . 38 GLU HA . 10284 1 364 . 1 1 38 38 GLU HB2 H 1 2.132 0.030 . 1 . . . . 38 GLU HB2 . 10284 1 365 . 1 1 38 38 GLU HB3 H 1 2.132 0.030 . 1 . . . . 38 GLU HB3 . 10284 1 366 . 1 1 38 38 GLU HG2 H 1 2.376 0.030 . 2 . . . . 38 GLU HG2 . 10284 1 367 . 1 1 38 38 GLU HG3 H 1 2.323 0.030 . 2 . . . . 38 GLU HG3 . 10284 1 368 . 1 1 38 38 GLU C C 13 178.764 0.300 . 1 . . . . 38 GLU C . 10284 1 369 . 1 1 38 38 GLU CA C 13 59.325 0.300 . 1 . . . . 38 GLU CA . 10284 1 370 . 1 1 38 38 GLU CB C 13 29.083 0.300 . 1 . . . . 38 GLU CB . 10284 1 371 . 1 1 38 38 GLU CG C 13 35.786 0.300 . 1 . . . . 38 GLU CG . 10284 1 372 . 1 1 38 38 GLU N N 15 118.433 0.300 . 1 . . . . 38 GLU N . 10284 1 373 . 1 1 39 39 GLN H H 1 7.845 0.030 . 1 . . . . 39 GLN H . 10284 1 374 . 1 1 39 39 GLN HA H 1 4.149 0.030 . 1 . . . . 39 GLN HA . 10284 1 375 . 1 1 39 39 GLN HB2 H 1 2.246 0.030 . 2 . . . . 39 GLN HB2 . 10284 1 376 . 1 1 39 39 GLN HB3 H 1 2.207 0.030 . 2 . . . . 39 GLN HB3 . 10284 1 377 . 1 1 39 39 GLN HE21 H 1 7.429 0.030 . 2 . . . . 39 GLN HE21 . 10284 1 378 . 1 1 39 39 GLN HE22 H 1 6.832 0.030 . 2 . . . . 39 GLN HE22 . 10284 1 379 . 1 1 39 39 GLN HG2 H 1 2.568 0.030 . 2 . . . . 39 GLN HG2 . 10284 1 380 . 1 1 39 39 GLN HG3 H 1 2.423 0.030 . 2 . . . . 39 GLN HG3 . 10284 1 381 . 1 1 39 39 GLN C C 13 179.541 0.300 . 1 . . . . 39 GLN C . 10284 1 382 . 1 1 39 39 GLN CA C 13 59.184 0.300 . 1 . . . . 39 GLN CA . 10284 1 383 . 1 1 39 39 GLN CB C 13 28.097 0.300 . 1 . . . . 39 GLN CB . 10284 1 384 . 1 1 39 39 GLN CG C 13 33.782 0.300 . 1 . . . . 39 GLN CG . 10284 1 385 . 1 1 39 39 GLN N N 15 119.859 0.300 . 1 . . . . 39 GLN N . 10284 1 386 . 1 1 39 39 GLN NE2 N 15 111.090 0.300 . 1 . . . . 39 GLN NE2 . 10284 1 387 . 1 1 40 40 LEU H H 1 8.130 0.030 . 1 . . . . 40 LEU H . 10284 1 388 . 1 1 40 40 LEU HA H 1 3.938 0.030 . 1 . . . . 40 LEU HA . 10284 1 389 . 1 1 40 40 LEU HB2 H 1 1.139 0.030 . 2 . . . . 40 LEU HB2 . 10284 1 390 . 1 1 40 40 LEU HB3 H 1 1.929 0.030 . 2 . . . . 40 LEU HB3 . 10284 1 391 . 1 1 40 40 LEU HD11 H 1 0.116 0.030 . 1 . . . . 40 LEU HD1 . 10284 1 392 . 1 1 40 40 LEU HD12 H 1 0.116 0.030 . 1 . . . . 40 LEU HD1 . 10284 1 393 . 1 1 40 40 LEU HD13 H 1 0.116 0.030 . 1 . . . . 40 LEU HD1 . 10284 1 394 . 1 1 40 40 LEU HD21 H 1 0.508 0.030 . 1 . . . . 40 LEU HD2 . 10284 1 395 . 1 1 40 40 LEU HD22 H 1 0.508 0.030 . 1 . . . . 40 LEU HD2 . 10284 1 396 . 1 1 40 40 LEU HD23 H 1 0.508 0.030 . 1 . . . . 40 LEU HD2 . 10284 1 397 . 1 1 40 40 LEU HG H 1 1.363 0.030 . 1 . . . . 40 LEU HG . 10284 1 398 . 1 1 40 40 LEU C C 13 178.158 0.300 . 1 . . . . 40 LEU C . 10284 1 399 . 1 1 40 40 LEU CA C 13 58.092 0.300 . 1 . . . . 40 LEU CA . 10284 1 400 . 1 1 40 40 LEU CB C 13 43.194 0.300 . 1 . . . . 40 LEU CB . 10284 1 401 . 1 1 40 40 LEU CD1 C 13 24.423 0.300 . 2 . . . . 40 LEU CD1 . 10284 1 402 . 1 1 40 40 LEU CD2 C 13 22.623 0.300 . 2 . . . . 40 LEU CD2 . 10284 1 403 . 1 1 40 40 LEU CG C 13 26.758 0.300 . 1 . . . . 40 LEU CG . 10284 1 404 . 1 1 40 40 LEU N N 15 120.785 0.300 . 1 . . . . 40 LEU N . 10284 1 405 . 1 1 41 41 SER H H 1 8.241 0.030 . 1 . . . . 41 SER H . 10284 1 406 . 1 1 41 41 SER HA H 1 4.251 0.030 . 1 . . . . 41 SER HA . 10284 1 407 . 1 1 41 41 SER HB2 H 1 4.068 0.030 . 2 . . . . 41 SER HB2 . 10284 1 408 . 1 1 41 41 SER HB3 H 1 4.050 0.030 . 2 . . . . 41 SER HB3 . 10284 1 409 . 1 1 41 41 SER C C 13 177.891 0.300 . 1 . . . . 41 SER C . 10284 1 410 . 1 1 41 41 SER CA C 13 61.194 0.300 . 1 . . . . 41 SER CA . 10284 1 411 . 1 1 41 41 SER CB C 13 63.501 0.300 . 1 . . . . 41 SER CB . 10284 1 412 . 1 1 41 41 SER N N 15 114.804 0.300 . 1 . . . . 41 SER N . 10284 1 413 . 1 1 42 42 ASN H H 1 7.969 0.030 . 1 . . . . 42 ASN H . 10284 1 414 . 1 1 42 42 ASN HA H 1 4.515 0.030 . 1 . . . . 42 ASN HA . 10284 1 415 . 1 1 42 42 ASN HB2 H 1 2.901 0.030 . 2 . . . . 42 ASN HB2 . 10284 1 416 . 1 1 42 42 ASN HB3 H 1 2.841 0.030 . 2 . . . . 42 ASN HB3 . 10284 1 417 . 1 1 42 42 ASN HD21 H 1 7.096 0.030 . 2 . . . . 42 ASN HD21 . 10284 1 418 . 1 1 42 42 ASN HD22 H 1 7.588 0.030 . 2 . . . . 42 ASN HD22 . 10284 1 419 . 1 1 42 42 ASN C C 13 177.381 0.300 . 1 . . . . 42 ASN C . 10284 1 420 . 1 1 42 42 ASN CA C 13 55.871 0.300 . 1 . . . . 42 ASN CA . 10284 1 421 . 1 1 42 42 ASN CB C 13 38.920 0.300 . 1 . . . . 42 ASN CB . 10284 1 422 . 1 1 42 42 ASN N N 15 118.051 0.300 . 1 . . . . 42 ASN N . 10284 1 423 . 1 1 42 42 ASN ND2 N 15 113.360 0.300 . 1 . . . . 42 ASN ND2 . 10284 1 424 . 1 1 43 43 LEU H H 1 8.169 0.030 . 1 . . . . 43 LEU H . 10284 1 425 . 1 1 43 43 LEU HA H 1 4.189 0.030 . 1 . . . . 43 LEU HA . 10284 1 426 . 1 1 43 43 LEU HB2 H 1 1.787 0.030 . 1 . . . . 43 LEU HB2 . 10284 1 427 . 1 1 43 43 LEU HB3 H 1 1.787 0.030 . 1 . . . . 43 LEU HB3 . 10284 1 428 . 1 1 43 43 LEU HD11 H 1 0.978 0.030 . 1 . . . . 43 LEU HD1 . 10284 1 429 . 1 1 43 43 LEU HD12 H 1 0.978 0.030 . 1 . . . . 43 LEU HD1 . 10284 1 430 . 1 1 43 43 LEU HD13 H 1 0.978 0.030 . 1 . . . . 43 LEU HD1 . 10284 1 431 . 1 1 43 43 LEU HD21 H 1 0.942 0.030 . 1 . . . . 43 LEU HD2 . 10284 1 432 . 1 1 43 43 LEU HD22 H 1 0.942 0.030 . 1 . . . . 43 LEU HD2 . 10284 1 433 . 1 1 43 43 LEU HD23 H 1 0.942 0.030 . 1 . . . . 43 LEU HD2 . 10284 1 434 . 1 1 43 43 LEU HG H 1 1.655 0.030 . 1 . . . . 43 LEU HG . 10284 1 435 . 1 1 43 43 LEU C C 13 178.837 0.300 . 1 . . . . 43 LEU C . 10284 1 436 . 1 1 43 43 LEU CA C 13 57.845 0.300 . 1 . . . . 43 LEU CA . 10284 1 437 . 1 1 43 43 LEU CB C 13 43.382 0.300 . 1 . . . . 43 LEU CB . 10284 1 438 . 1 1 43 43 LEU CD1 C 13 23.691 0.300 . 2 . . . . 43 LEU CD1 . 10284 1 439 . 1 1 43 43 LEU CD2 C 13 25.525 0.300 . 2 . . . . 43 LEU CD2 . 10284 1 440 . 1 1 43 43 LEU CG C 13 26.954 0.300 . 1 . . . . 43 LEU CG . 10284 1 441 . 1 1 43 43 LEU N N 15 120.419 0.300 . 1 . . . . 43 LEU N . 10284 1 442 . 1 1 44 44 LEU H H 1 8.185 0.030 . 1 . . . . 44 LEU H . 10284 1 443 . 1 1 44 44 LEU HA H 1 4.445 0.030 . 1 . . . . 44 LEU HA . 10284 1 444 . 1 1 44 44 LEU HB2 H 1 1.445 0.030 . 2 . . . . 44 LEU HB2 . 10284 1 445 . 1 1 44 44 LEU HB3 H 1 1.766 0.030 . 2 . . . . 44 LEU HB3 . 10284 1 446 . 1 1 44 44 LEU HD11 H 1 0.664 0.030 . 1 . . . . 44 LEU HD1 . 10284 1 447 . 1 1 44 44 LEU HD12 H 1 0.664 0.030 . 1 . . . . 44 LEU HD1 . 10284 1 448 . 1 1 44 44 LEU HD13 H 1 0.664 0.030 . 1 . . . . 44 LEU HD1 . 10284 1 449 . 1 1 44 44 LEU HD21 H 1 0.759 0.030 . 1 . . . . 44 LEU HD2 . 10284 1 450 . 1 1 44 44 LEU HD22 H 1 0.759 0.030 . 1 . . . . 44 LEU HD2 . 10284 1 451 . 1 1 44 44 LEU HD23 H 1 0.759 0.030 . 1 . . . . 44 LEU HD2 . 10284 1 452 . 1 1 44 44 LEU HG H 1 1.853 0.030 . 1 . . . . 44 LEU HG . 10284 1 453 . 1 1 44 44 LEU C C 13 176.677 0.300 . 1 . . . . 44 LEU C . 10284 1 454 . 1 1 44 44 LEU CA C 13 54.397 0.300 . 1 . . . . 44 LEU CA . 10284 1 455 . 1 1 44 44 LEU CB C 13 43.111 0.300 . 1 . . . . 44 LEU CB . 10284 1 456 . 1 1 44 44 LEU CD1 C 13 25.882 0.300 . 2 . . . . 44 LEU CD1 . 10284 1 457 . 1 1 44 44 LEU CD2 C 13 22.611 0.300 . 2 . . . . 44 LEU CD2 . 10284 1 458 . 1 1 44 44 LEU CG C 13 26.667 0.300 . 1 . . . . 44 LEU CG . 10284 1 459 . 1 1 44 44 LEU N N 15 113.030 0.300 . 1 . . . . 44 LEU N . 10284 1 460 . 1 1 45 45 ASN H H 1 8.100 0.030 . 1 . . . . 45 ASN H . 10284 1 461 . 1 1 45 45 ASN HA H 1 4.440 0.030 . 1 . . . . 45 ASN HA . 10284 1 462 . 1 1 45 45 ASN HB2 H 1 2.741 0.030 . 2 . . . . 45 ASN HB2 . 10284 1 463 . 1 1 45 45 ASN HB3 H 1 3.243 0.030 . 2 . . . . 45 ASN HB3 . 10284 1 464 . 1 1 45 45 ASN HD21 H 1 7.482 0.030 . 2 . . . . 45 ASN HD21 . 10284 1 465 . 1 1 45 45 ASN HD22 H 1 6.794 0.030 . 2 . . . . 45 ASN HD22 . 10284 1 466 . 1 1 45 45 ASN C C 13 174.395 0.300 . 1 . . . . 45 ASN C . 10284 1 467 . 1 1 45 45 ASN CA C 13 54.073 0.300 . 1 . . . . 45 ASN CA . 10284 1 468 . 1 1 45 45 ASN CB C 13 36.970 0.300 . 1 . . . . 45 ASN CB . 10284 1 469 . 1 1 45 45 ASN N N 15 117.438 0.300 . 1 . . . . 45 ASN N . 10284 1 470 . 1 1 45 45 ASN ND2 N 15 111.417 0.300 . 1 . . . . 45 ASN ND2 . 10284 1 471 . 1 1 46 46 LEU H H 1 7.476 0.030 . 1 . . . . 46 LEU H . 10284 1 472 . 1 1 46 46 LEU HA H 1 4.980 0.030 . 1 . . . . 46 LEU HA . 10284 1 473 . 1 1 46 46 LEU HB2 H 1 1.175 0.030 . 2 . . . . 46 LEU HB2 . 10284 1 474 . 1 1 46 46 LEU HB3 H 1 1.300 0.030 . 2 . . . . 46 LEU HB3 . 10284 1 475 . 1 1 46 46 LEU HD11 H 1 0.636 0.030 . 1 . . . . 46 LEU HD1 . 10284 1 476 . 1 1 46 46 LEU HD12 H 1 0.636 0.030 . 1 . . . . 46 LEU HD1 . 10284 1 477 . 1 1 46 46 LEU HD13 H 1 0.636 0.030 . 1 . . . . 46 LEU HD1 . 10284 1 478 . 1 1 46 46 LEU HD21 H 1 0.969 0.030 . 1 . . . . 46 LEU HD2 . 10284 1 479 . 1 1 46 46 LEU HD22 H 1 0.969 0.030 . 1 . . . . 46 LEU HD2 . 10284 1 480 . 1 1 46 46 LEU HD23 H 1 0.969 0.030 . 1 . . . . 46 LEU HD2 . 10284 1 481 . 1 1 46 46 LEU HG H 1 1.554 0.030 . 1 . . . . 46 LEU HG . 10284 1 482 . 1 1 46 46 LEU C C 13 173.691 0.300 . 1 . . . . 46 LEU C . 10284 1 483 . 1 1 46 46 LEU CA C 13 51.032 0.300 . 1 . . . . 46 LEU CA . 10284 1 484 . 1 1 46 46 LEU CB C 13 46.668 0.300 . 1 . . . . 46 LEU CB . 10284 1 485 . 1 1 46 46 LEU CD1 C 13 25.843 0.300 . 2 . . . . 46 LEU CD1 . 10284 1 486 . 1 1 46 46 LEU CD2 C 13 23.438 0.300 . 2 . . . . 46 LEU CD2 . 10284 1 487 . 1 1 46 46 LEU CG C 13 25.817 0.300 . 1 . . . . 46 LEU CG . 10284 1 488 . 1 1 46 46 LEU N N 15 117.604 0.300 . 1 . . . . 46 LEU N . 10284 1 489 . 1 1 47 47 PRO HA H 1 4.515 0.030 . 1 . . . . 47 PRO HA . 10284 1 490 . 1 1 47 47 PRO HB2 H 1 1.840 0.030 . 2 . . . . 47 PRO HB2 . 10284 1 491 . 1 1 47 47 PRO HB3 H 1 2.538 0.030 . 2 . . . . 47 PRO HB3 . 10284 1 492 . 1 1 47 47 PRO HD2 H 1 3.987 0.030 . 2 . . . . 47 PRO HD2 . 10284 1 493 . 1 1 47 47 PRO HD3 H 1 3.416 0.030 . 2 . . . . 47 PRO HD3 . 10284 1 494 . 1 1 47 47 PRO HG2 H 1 2.146 0.030 . 2 . . . . 47 PRO HG2 . 10284 1 495 . 1 1 47 47 PRO HG3 H 1 2.082 0.030 . 2 . . . . 47 PRO HG3 . 10284 1 496 . 1 1 47 47 PRO C C 13 177.915 0.300 . 1 . . . . 47 PRO C . 10284 1 497 . 1 1 47 47 PRO CA C 13 62.392 0.300 . 1 . . . . 47 PRO CA . 10284 1 498 . 1 1 47 47 PRO CB C 13 32.592 0.300 . 1 . . . . 47 PRO CB . 10284 1 499 . 1 1 47 47 PRO CD C 13 50.668 0.300 . 1 . . . . 47 PRO CD . 10284 1 500 . 1 1 47 47 PRO CG C 13 27.767 0.300 . 1 . . . . 47 PRO CG . 10284 1 501 . 1 1 48 48 THR H H 1 8.818 0.030 . 1 . . . . 48 THR H . 10284 1 502 . 1 1 48 48 THR HA H 1 3.590 0.030 . 1 . . . . 48 THR HA . 10284 1 503 . 1 1 48 48 THR HB H 1 3.977 0.030 . 1 . . . . 48 THR HB . 10284 1 504 . 1 1 48 48 THR HG21 H 1 1.126 0.030 . 1 . . . . 48 THR HG2 . 10284 1 505 . 1 1 48 48 THR HG22 H 1 1.126 0.030 . 1 . . . . 48 THR HG2 . 10284 1 506 . 1 1 48 48 THR HG23 H 1 1.126 0.030 . 1 . . . . 48 THR HG2 . 10284 1 507 . 1 1 48 48 THR C C 13 176.628 0.300 . 1 . . . . 48 THR C . 10284 1 508 . 1 1 48 48 THR CA C 13 67.384 0.300 . 1 . . . . 48 THR CA . 10284 1 509 . 1 1 48 48 THR CB C 13 67.996 0.300 . 1 . . . . 48 THR CB . 10284 1 510 . 1 1 48 48 THR CG2 C 13 23.107 0.300 . 1 . . . . 48 THR CG2 . 10284 1 511 . 1 1 48 48 THR N N 15 120.240 0.300 . 1 . . . . 48 THR N . 10284 1 512 . 1 1 49 49 ARG H H 1 8.750 0.030 . 1 . . . . 49 ARG H . 10284 1 513 . 1 1 49 49 ARG HA H 1 3.899 0.030 . 1 . . . . 49 ARG HA . 10284 1 514 . 1 1 49 49 ARG HB2 H 1 1.871 0.030 . 2 . . . . 49 ARG HB2 . 10284 1 515 . 1 1 49 49 ARG HB3 H 1 1.734 0.030 . 2 . . . . 49 ARG HB3 . 10284 1 516 . 1 1 49 49 ARG HD2 H 1 3.181 0.030 . 2 . . . . 49 ARG HD2 . 10284 1 517 . 1 1 49 49 ARG HD3 H 1 3.129 0.030 . 2 . . . . 49 ARG HD3 . 10284 1 518 . 1 1 49 49 ARG HG2 H 1 1.634 0.030 . 1 . . . . 49 ARG HG2 . 10284 1 519 . 1 1 49 49 ARG HG3 H 1 1.634 0.030 . 1 . . . . 49 ARG HG3 . 10284 1 520 . 1 1 49 49 ARG C C 13 178.012 0.300 . 1 . . . . 49 ARG C . 10284 1 521 . 1 1 49 49 ARG CA C 13 59.079 0.300 . 1 . . . . 49 ARG CA . 10284 1 522 . 1 1 49 49 ARG CB C 13 29.474 0.300 . 1 . . . . 49 ARG CB . 10284 1 523 . 1 1 49 49 ARG CD C 13 42.968 0.300 . 1 . . . . 49 ARG CD . 10284 1 524 . 1 1 49 49 ARG CG C 13 26.660 0.300 . 1 . . . . 49 ARG CG . 10284 1 525 . 1 1 49 49 ARG N N 15 117.541 0.300 . 1 . . . . 49 ARG N . 10284 1 526 . 1 1 50 50 VAL H H 1 6.994 0.030 . 1 . . . . 50 VAL H . 10284 1 527 . 1 1 50 50 VAL HA H 1 3.885 0.030 . 1 . . . . 50 VAL HA . 10284 1 528 . 1 1 50 50 VAL HB H 1 2.374 0.030 . 1 . . . . 50 VAL HB . 10284 1 529 . 1 1 50 50 VAL HG11 H 1 1.138 0.030 . 1 . . . . 50 VAL HG1 . 10284 1 530 . 1 1 50 50 VAL HG12 H 1 1.138 0.030 . 1 . . . . 50 VAL HG1 . 10284 1 531 . 1 1 50 50 VAL HG13 H 1 1.138 0.030 . 1 . . . . 50 VAL HG1 . 10284 1 532 . 1 1 50 50 VAL HG21 H 1 1.143 0.030 . 1 . . . . 50 VAL HG2 . 10284 1 533 . 1 1 50 50 VAL HG22 H 1 1.143 0.030 . 1 . . . . 50 VAL HG2 . 10284 1 534 . 1 1 50 50 VAL HG23 H 1 1.143 0.030 . 1 . . . . 50 VAL HG2 . 10284 1 535 . 1 1 50 50 VAL C C 13 178.400 0.300 . 1 . . . . 50 VAL C . 10284 1 536 . 1 1 50 50 VAL CA C 13 65.099 0.300 . 1 . . . . 50 VAL CA . 10284 1 537 . 1 1 50 50 VAL CB C 13 31.909 0.300 . 1 . . . . 50 VAL CB . 10284 1 538 . 1 1 50 50 VAL CG1 C 13 21.844 0.300 . 2 . . . . 50 VAL CG1 . 10284 1 539 . 1 1 50 50 VAL CG2 C 13 22.507 0.300 . 2 . . . . 50 VAL CG2 . 10284 1 540 . 1 1 50 50 VAL N N 15 115.765 0.300 . 1 . . . . 50 VAL N . 10284 1 541 . 1 1 51 51 ILE H H 1 7.358 0.030 . 1 . . . . 51 ILE H . 10284 1 542 . 1 1 51 51 ILE HA H 1 3.814 0.030 . 1 . . . . 51 ILE HA . 10284 1 543 . 1 1 51 51 ILE HB H 1 2.106 0.030 . 1 . . . . 51 ILE HB . 10284 1 544 . 1 1 51 51 ILE HD11 H 1 0.808 0.030 . 1 . . . . 51 ILE HD1 . 10284 1 545 . 1 1 51 51 ILE HD12 H 1 0.808 0.030 . 1 . . . . 51 ILE HD1 . 10284 1 546 . 1 1 51 51 ILE HD13 H 1 0.808 0.030 . 1 . . . . 51 ILE HD1 . 10284 1 547 . 1 1 51 51 ILE HG12 H 1 1.723 0.030 . 2 . . . . 51 ILE HG12 . 10284 1 548 . 1 1 51 51 ILE HG13 H 1 0.878 0.030 . 2 . . . . 51 ILE HG13 . 10284 1 549 . 1 1 51 51 ILE HG21 H 1 1.247 0.030 . 1 . . . . 51 ILE HG2 . 10284 1 550 . 1 1 51 51 ILE HG22 H 1 1.247 0.030 . 1 . . . . 51 ILE HG2 . 10284 1 551 . 1 1 51 51 ILE HG23 H 1 1.247 0.030 . 1 . . . . 51 ILE HG2 . 10284 1 552 . 1 1 51 51 ILE C C 13 177.648 0.300 . 1 . . . . 51 ILE C . 10284 1 553 . 1 1 51 51 ILE CA C 13 65.318 0.300 . 1 . . . . 51 ILE CA . 10284 1 554 . 1 1 51 51 ILE CB C 13 38.017 0.300 . 1 . . . . 51 ILE CB . 10284 1 555 . 1 1 51 51 ILE CD1 C 13 13.799 0.300 . 1 . . . . 51 ILE CD1 . 10284 1 556 . 1 1 51 51 ILE CG1 C 13 28.642 0.300 . 1 . . . . 51 ILE CG1 . 10284 1 557 . 1 1 51 51 ILE CG2 C 13 19.256 0.300 . 1 . . . . 51 ILE CG2 . 10284 1 558 . 1 1 51 51 ILE N N 15 122.170 0.300 . 1 . . . . 51 ILE N . 10284 1 559 . 1 1 52 52 VAL H H 1 8.401 0.030 . 1 . . . . 52 VAL H . 10284 1 560 . 1 1 52 52 VAL HA H 1 3.290 0.030 . 1 . . . . 52 VAL HA . 10284 1 561 . 1 1 52 52 VAL HB H 1 1.854 0.030 . 1 . . . . 52 VAL HB . 10284 1 562 . 1 1 52 52 VAL HG11 H 1 0.689 0.030 . 1 . . . . 52 VAL HG1 . 10284 1 563 . 1 1 52 52 VAL HG12 H 1 0.689 0.030 . 1 . . . . 52 VAL HG1 . 10284 1 564 . 1 1 52 52 VAL HG13 H 1 0.689 0.030 . 1 . . . . 52 VAL HG1 . 10284 1 565 . 1 1 52 52 VAL HG21 H 1 -0.003 0.030 . 1 . . . . 52 VAL HG2 . 10284 1 566 . 1 1 52 52 VAL HG22 H 1 -0.003 0.030 . 1 . . . . 52 VAL HG2 . 10284 1 567 . 1 1 52 52 VAL HG23 H 1 -0.003 0.030 . 1 . . . . 52 VAL HG2 . 10284 1 568 . 1 1 52 52 VAL C C 13 179.177 0.300 . 1 . . . . 52 VAL C . 10284 1 569 . 1 1 52 52 VAL CA C 13 67.021 0.300 . 1 . . . . 52 VAL CA . 10284 1 570 . 1 1 52 52 VAL CB C 13 31.583 0.300 . 1 . . . . 52 VAL CB . 10284 1 571 . 1 1 52 52 VAL CG1 C 13 20.656 0.300 . 2 . . . . 52 VAL CG1 . 10284 1 572 . 1 1 52 52 VAL CG2 C 13 20.706 0.300 . 2 . . . . 52 VAL CG2 . 10284 1 573 . 1 1 52 52 VAL N N 15 121.321 0.300 . 1 . . . . 52 VAL N . 10284 1 574 . 1 1 53 53 VAL H H 1 7.691 0.030 . 1 . . . . 53 VAL H . 10284 1 575 . 1 1 53 53 VAL HA H 1 3.711 0.030 . 1 . . . . 53 VAL HA . 10284 1 576 . 1 1 53 53 VAL HB H 1 2.153 0.030 . 1 . . . . 53 VAL HB . 10284 1 577 . 1 1 53 53 VAL HG11 H 1 1.002 0.030 . 1 . . . . 53 VAL HG1 . 10284 1 578 . 1 1 53 53 VAL HG12 H 1 1.002 0.030 . 1 . . . . 53 VAL HG1 . 10284 1 579 . 1 1 53 53 VAL HG13 H 1 1.002 0.030 . 1 . . . . 53 VAL HG1 . 10284 1 580 . 1 1 53 53 VAL HG21 H 1 1.096 0.030 . 1 . . . . 53 VAL HG2 . 10284 1 581 . 1 1 53 53 VAL HG22 H 1 1.096 0.030 . 1 . . . . 53 VAL HG2 . 10284 1 582 . 1 1 53 53 VAL HG23 H 1 1.096 0.030 . 1 . . . . 53 VAL HG2 . 10284 1 583 . 1 1 53 53 VAL C C 13 177.648 0.300 . 1 . . . . 53 VAL C . 10284 1 584 . 1 1 53 53 VAL CA C 13 66.531 0.300 . 1 . . . . 53 VAL CA . 10284 1 585 . 1 1 53 53 VAL CB C 13 31.936 0.300 . 1 . . . . 53 VAL CB . 10284 1 586 . 1 1 53 53 VAL CG1 C 13 21.510 0.300 . 2 . . . . 53 VAL CG1 . 10284 1 587 . 1 1 53 53 VAL CG2 C 13 23.352 0.300 . 2 . . . . 53 VAL CG2 . 10284 1 588 . 1 1 53 53 VAL N N 15 119.305 0.300 . 1 . . . . 53 VAL N . 10284 1 589 . 1 1 54 54 TRP H H 1 8.127 0.030 . 1 . . . . 54 TRP H . 10284 1 590 . 1 1 54 54 TRP HA H 1 4.016 0.030 . 1 . . . . 54 TRP HA . 10284 1 591 . 1 1 54 54 TRP HB2 H 1 3.717 0.030 . 2 . . . . 54 TRP HB2 . 10284 1 592 . 1 1 54 54 TRP HB3 H 1 3.290 0.030 . 2 . . . . 54 TRP HB3 . 10284 1 593 . 1 1 54 54 TRP HD1 H 1 6.774 0.030 . 1 . . . . 54 TRP HD1 . 10284 1 594 . 1 1 54 54 TRP HE1 H 1 9.156 0.030 . 1 . . . . 54 TRP HE1 . 10284 1 595 . 1 1 54 54 TRP HE3 H 1 6.765 0.030 . 1 . . . . 54 TRP HE3 . 10284 1 596 . 1 1 54 54 TRP HH2 H 1 6.202 0.030 . 1 . . . . 54 TRP HH2 . 10284 1 597 . 1 1 54 54 TRP HZ2 H 1 6.979 0.030 . 1 . . . . 54 TRP HZ2 . 10284 1 598 . 1 1 54 54 TRP HZ3 H 1 5.620 0.030 . 1 . . . . 54 TRP HZ3 . 10284 1 599 . 1 1 54 54 TRP C C 13 180.100 0.300 . 1 . . . . 54 TRP C . 10284 1 600 . 1 1 54 54 TRP CA C 13 63.534 0.300 . 1 . . . . 54 TRP CA . 10284 1 601 . 1 1 54 54 TRP CB C 13 28.747 0.300 . 1 . . . . 54 TRP CB . 10284 1 602 . 1 1 54 54 TRP CD1 C 13 126.824 0.300 . 1 . . . . 54 TRP CD1 . 10284 1 603 . 1 1 54 54 TRP CE3 C 13 120.802 0.300 . 1 . . . . 54 TRP CE3 . 10284 1 604 . 1 1 54 54 TRP CH2 C 13 123.081 0.300 . 1 . . . . 54 TRP CH2 . 10284 1 605 . 1 1 54 54 TRP CZ2 C 13 113.619 0.300 . 1 . . . . 54 TRP CZ2 . 10284 1 606 . 1 1 54 54 TRP CZ3 C 13 120.975 0.300 . 1 . . . . 54 TRP CZ3 . 10284 1 607 . 1 1 54 54 TRP N N 15 122.197 0.300 . 1 . . . . 54 TRP N . 10284 1 608 . 1 1 54 54 TRP NE1 N 15 127.494 0.300 . 1 . . . . 54 TRP NE1 . 10284 1 609 . 1 1 55 55 PHE H H 1 8.964 0.030 . 1 . . . . 55 PHE H . 10284 1 610 . 1 1 55 55 PHE HA H 1 3.843 0.030 . 1 . . . . 55 PHE HA . 10284 1 611 . 1 1 55 55 PHE HB2 H 1 3.212 0.030 . 2 . . . . 55 PHE HB2 . 10284 1 612 . 1 1 55 55 PHE HB3 H 1 3.697 0.030 . 2 . . . . 55 PHE HB3 . 10284 1 613 . 1 1 55 55 PHE HD1 H 1 7.967 0.030 . 1 . . . . 55 PHE HD1 . 10284 1 614 . 1 1 55 55 PHE HD2 H 1 7.967 0.030 . 1 . . . . 55 PHE HD2 . 10284 1 615 . 1 1 55 55 PHE HE1 H 1 7.546 0.030 . 1 . . . . 55 PHE HE1 . 10284 1 616 . 1 1 55 55 PHE HE2 H 1 7.546 0.030 . 1 . . . . 55 PHE HE2 . 10284 1 617 . 1 1 55 55 PHE HZ H 1 7.293 0.030 . 1 . . . . 55 PHE HZ . 10284 1 618 . 1 1 55 55 PHE C C 13 178.158 0.300 . 1 . . . . 55 PHE C . 10284 1 619 . 1 1 55 55 PHE CA C 13 63.309 0.300 . 1 . . . . 55 PHE CA . 10284 1 620 . 1 1 55 55 PHE CB C 13 39.818 0.300 . 1 . . . . 55 PHE CB . 10284 1 621 . 1 1 55 55 PHE CD1 C 13 132.257 0.300 . 1 . . . . 55 PHE CD1 . 10284 1 622 . 1 1 55 55 PHE CD2 C 13 132.257 0.300 . 1 . . . . 55 PHE CD2 . 10284 1 623 . 1 1 55 55 PHE CE1 C 13 132.063 0.300 . 1 . . . . 55 PHE CE1 . 10284 1 624 . 1 1 55 55 PHE CE2 C 13 132.063 0.300 . 1 . . . . 55 PHE CE2 . 10284 1 625 . 1 1 55 55 PHE CZ C 13 130.209 0.300 . 1 . . . . 55 PHE CZ . 10284 1 626 . 1 1 55 55 PHE N N 15 119.663 0.300 . 1 . . . . 55 PHE N . 10284 1 627 . 1 1 56 56 GLN H H 1 8.412 0.030 . 1 . . . . 56 GLN H . 10284 1 628 . 1 1 56 56 GLN HA H 1 3.984 0.030 . 1 . . . . 56 GLN HA . 10284 1 629 . 1 1 56 56 GLN HB2 H 1 2.103 0.030 . 2 . . . . 56 GLN HB2 . 10284 1 630 . 1 1 56 56 GLN HB3 H 1 2.379 0.030 . 2 . . . . 56 GLN HB3 . 10284 1 631 . 1 1 56 56 GLN HE21 H 1 7.434 0.030 . 2 . . . . 56 GLN HE21 . 10284 1 632 . 1 1 56 56 GLN HE22 H 1 6.779 0.030 . 2 . . . . 56 GLN HE22 . 10284 1 633 . 1 1 56 56 GLN HG2 H 1 2.680 0.030 . 2 . . . . 56 GLN HG2 . 10284 1 634 . 1 1 56 56 GLN HG3 H 1 2.428 0.030 . 2 . . . . 56 GLN HG3 . 10284 1 635 . 1 1 56 56 GLN C C 13 179.420 0.300 . 1 . . . . 56 GLN C . 10284 1 636 . 1 1 56 56 GLN CA C 13 59.678 0.300 . 1 . . . . 56 GLN CA . 10284 1 637 . 1 1 56 56 GLN CB C 13 27.981 0.300 . 1 . . . . 56 GLN CB . 10284 1 638 . 1 1 56 56 GLN CG C 13 33.963 0.300 . 1 . . . . 56 GLN CG . 10284 1 639 . 1 1 56 56 GLN N N 15 118.932 0.300 . 1 . . . . 56 GLN N . 10284 1 640 . 1 1 56 56 GLN NE2 N 15 110.645 0.300 . 1 . . . . 56 GLN NE2 . 10284 1 641 . 1 1 57 57 ASN H H 1 8.358 0.030 . 1 . . . . 57 ASN H . 10284 1 642 . 1 1 57 57 ASN HA H 1 4.302 0.030 . 1 . . . . 57 ASN HA . 10284 1 643 . 1 1 57 57 ASN HB2 H 1 2.462 0.030 . 2 . . . . 57 ASN HB2 . 10284 1 644 . 1 1 57 57 ASN HB3 H 1 2.634 0.030 . 2 . . . . 57 ASN HB3 . 10284 1 645 . 1 1 57 57 ASN HD21 H 1 6.887 0.030 . 2 . . . . 57 ASN HD21 . 10284 1 646 . 1 1 57 57 ASN HD22 H 1 7.466 0.030 . 2 . . . . 57 ASN HD22 . 10284 1 647 . 1 1 57 57 ASN C C 13 177.308 0.300 . 1 . . . . 57 ASN C . 10284 1 648 . 1 1 57 57 ASN CA C 13 55.836 0.300 . 1 . . . . 57 ASN CA . 10284 1 649 . 1 1 57 57 ASN CB C 13 38.123 0.300 . 1 . . . . 57 ASN CB . 10284 1 650 . 1 1 57 57 ASN N N 15 118.552 0.300 . 1 . . . . 57 ASN N . 10284 1 651 . 1 1 57 57 ASN ND2 N 15 113.194 0.300 . 1 . . . . 57 ASN ND2 . 10284 1 652 . 1 1 58 58 ALA H H 1 8.097 0.030 . 1 . . . . 58 ALA H . 10284 1 653 . 1 1 58 58 ALA HA H 1 3.280 0.030 . 1 . . . . 58 ALA HA . 10284 1 654 . 1 1 58 58 ALA HB1 H 1 -0.379 0.030 . 1 . . . . 58 ALA HB . 10284 1 655 . 1 1 58 58 ALA HB2 H 1 -0.379 0.030 . 1 . . . . 58 ALA HB . 10284 1 656 . 1 1 58 58 ALA HB3 H 1 -0.379 0.030 . 1 . . . . 58 ALA HB . 10284 1 657 . 1 1 58 58 ALA C C 13 180.512 0.300 . 1 . . . . 58 ALA C . 10284 1 658 . 1 1 58 58 ALA CA C 13 54.711 0.300 . 1 . . . . 58 ALA CA . 10284 1 659 . 1 1 58 58 ALA CB C 13 16.685 0.300 . 1 . . . . 58 ALA CB . 10284 1 660 . 1 1 58 58 ALA N N 15 125.426 0.300 . 1 . . . . 58 ALA N . 10284 1 661 . 1 1 59 59 ARG H H 1 8.104 0.030 . 1 . . . . 59 ARG H . 10284 1 662 . 1 1 59 59 ARG HA H 1 4.159 0.030 . 1 . . . . 59 ARG HA . 10284 1 663 . 1 1 59 59 ARG HB2 H 1 2.087 0.030 . 2 . . . . 59 ARG HB2 . 10284 1 664 . 1 1 59 59 ARG HB3 H 1 1.921 0.030 . 2 . . . . 59 ARG HB3 . 10284 1 665 . 1 1 59 59 ARG HD2 H 1 2.953 0.030 . 1 . . . . 59 ARG HD2 . 10284 1 666 . 1 1 59 59 ARG HD3 H 1 2.953 0.030 . 1 . . . . 59 ARG HD3 . 10284 1 667 . 1 1 59 59 ARG HG2 H 1 2.325 0.030 . 2 . . . . 59 ARG HG2 . 10284 1 668 . 1 1 59 59 ARG HG3 H 1 1.633 0.030 . 2 . . . . 59 ARG HG3 . 10284 1 669 . 1 1 59 59 ARG C C 13 178.570 0.300 . 1 . . . . 59 ARG C . 10284 1 670 . 1 1 59 59 ARG CA C 13 59.916 0.300 . 1 . . . . 59 ARG CA . 10284 1 671 . 1 1 59 59 ARG CB C 13 31.344 0.300 . 1 . . . . 59 ARG CB . 10284 1 672 . 1 1 59 59 ARG CD C 13 44.196 0.300 . 1 . . . . 59 ARG CD . 10284 1 673 . 1 1 59 59 ARG CG C 13 29.568 0.300 . 1 . . . . 59 ARG CG . 10284 1 674 . 1 1 59 59 ARG N N 15 117.308 0.300 . 1 . . . . 59 ARG N . 10284 1 675 . 1 1 60 60 GLN H H 1 7.532 0.030 . 1 . . . . 60 GLN H . 10284 1 676 . 1 1 60 60 GLN HA H 1 4.118 0.030 . 1 . . . . 60 GLN HA . 10284 1 677 . 1 1 60 60 GLN HB2 H 1 2.149 0.030 . 1 . . . . 60 GLN HB2 . 10284 1 678 . 1 1 60 60 GLN HB3 H 1 2.149 0.030 . 1 . . . . 60 GLN HB3 . 10284 1 679 . 1 1 60 60 GLN HE21 H 1 6.865 0.030 . 2 . . . . 60 GLN HE21 . 10284 1 680 . 1 1 60 60 GLN HE22 H 1 7.429 0.030 . 2 . . . . 60 GLN HE22 . 10284 1 681 . 1 1 60 60 GLN HG2 H 1 2.502 0.030 . 2 . . . . 60 GLN HG2 . 10284 1 682 . 1 1 60 60 GLN HG3 H 1 2.412 0.030 . 2 . . . . 60 GLN HG3 . 10284 1 683 . 1 1 60 60 GLN C C 13 178.036 0.300 . 1 . . . . 60 GLN C . 10284 1 684 . 1 1 60 60 GLN CA C 13 58.021 0.300 . 1 . . . . 60 GLN CA . 10284 1 685 . 1 1 60 60 GLN CB C 13 28.460 0.300 . 1 . . . . 60 GLN CB . 10284 1 686 . 1 1 60 60 GLN CG C 13 33.776 0.300 . 1 . . . . 60 GLN CG . 10284 1 687 . 1 1 60 60 GLN N N 15 118.195 0.300 . 1 . . . . 60 GLN N . 10284 1 688 . 1 1 60 60 GLN NE2 N 15 111.883 0.300 . 1 . . . . 60 GLN NE2 . 10284 1 689 . 1 1 61 61 LYS H H 1 7.738 0.030 . 1 . . . . 61 LYS H . 10284 1 690 . 1 1 61 61 LYS HA H 1 4.038 0.030 . 1 . . . . 61 LYS HA . 10284 1 691 . 1 1 61 61 LYS HB2 H 1 1.751 0.030 . 2 . . . . 61 LYS HB2 . 10284 1 692 . 1 1 61 61 LYS HB3 H 1 1.678 0.030 . 2 . . . . 61 LYS HB3 . 10284 1 693 . 1 1 61 61 LYS HD2 H 1 1.509 0.030 . 1 . . . . 61 LYS HD2 . 10284 1 694 . 1 1 61 61 LYS HD3 H 1 1.509 0.030 . 1 . . . . 61 LYS HD3 . 10284 1 695 . 1 1 61 61 LYS HE2 H 1 2.820 0.030 . 1 . . . . 61 LYS HE2 . 10284 1 696 . 1 1 61 61 LYS HE3 H 1 2.820 0.030 . 1 . . . . 61 LYS HE3 . 10284 1 697 . 1 1 61 61 LYS HG2 H 1 1.336 0.030 . 2 . . . . 61 LYS HG2 . 10284 1 698 . 1 1 61 61 LYS HG3 H 1 1.414 0.030 . 2 . . . . 61 LYS HG3 . 10284 1 699 . 1 1 61 61 LYS C C 13 177.454 0.300 . 1 . . . . 61 LYS C . 10284 1 700 . 1 1 61 61 LYS CA C 13 57.938 0.300 . 1 . . . . 61 LYS CA . 10284 1 701 . 1 1 61 61 LYS CB C 13 32.497 0.300 . 1 . . . . 61 LYS CB . 10284 1 702 . 1 1 61 61 LYS CD C 13 29.099 0.300 . 1 . . . . 61 LYS CD . 10284 1 703 . 1 1 61 61 LYS CE C 13 41.966 0.300 . 1 . . . . 61 LYS CE . 10284 1 704 . 1 1 61 61 LYS CG C 13 24.859 0.300 . 1 . . . . 61 LYS CG . 10284 1 705 . 1 1 61 61 LYS N N 15 119.476 0.300 . 1 . . . . 61 LYS N . 10284 1 706 . 1 1 62 62 ALA H H 1 7.699 0.030 . 1 . . . . 62 ALA H . 10284 1 707 . 1 1 62 62 ALA HA H 1 4.265 0.030 . 1 . . . . 62 ALA HA . 10284 1 708 . 1 1 62 62 ALA HB1 H 1 1.517 0.030 . 1 . . . . 62 ALA HB . 10284 1 709 . 1 1 62 62 ALA HB2 H 1 1.517 0.030 . 1 . . . . 62 ALA HB . 10284 1 710 . 1 1 62 62 ALA HB3 H 1 1.517 0.030 . 1 . . . . 62 ALA HB . 10284 1 711 . 1 1 62 62 ALA C C 13 177.818 0.300 . 1 . . . . 62 ALA C . 10284 1 712 . 1 1 62 62 ALA CA C 13 52.945 0.300 . 1 . . . . 62 ALA CA . 10284 1 713 . 1 1 62 62 ALA CB C 13 18.904 0.300 . 1 . . . . 62 ALA CB . 10284 1 714 . 1 1 62 62 ALA N N 15 121.322 0.300 . 1 . . . . 62 ALA N . 10284 1 715 . 1 1 63 63 ARG H H 1 7.831 0.030 . 1 . . . . 63 ARG H . 10284 1 716 . 1 1 63 63 ARG HA H 1 4.237 0.030 . 1 . . . . 63 ARG HA . 10284 1 717 . 1 1 63 63 ARG HB2 H 1 1.897 0.030 . 1 . . . . 63 ARG HB2 . 10284 1 718 . 1 1 63 63 ARG HB3 H 1 1.897 0.030 . 1 . . . . 63 ARG HB3 . 10284 1 719 . 1 1 63 63 ARG HD2 H 1 3.229 0.030 . 2 . . . . 63 ARG HD2 . 10284 1 720 . 1 1 63 63 ARG HG2 H 1 1.724 0.030 . 2 . . . . 63 ARG HG2 . 10284 1 721 . 1 1 63 63 ARG HG3 H 1 1.663 0.030 . 2 . . . . 63 ARG HG3 . 10284 1 722 . 1 1 63 63 ARG C C 13 176.580 0.300 . 1 . . . . 63 ARG C . 10284 1 723 . 1 1 63 63 ARG CA C 13 56.717 0.300 . 1 . . . . 63 ARG CA . 10284 1 724 . 1 1 63 63 ARG CB C 13 30.124 0.300 . 1 . . . . 63 ARG CB . 10284 1 725 . 1 1 63 63 ARG CD C 13 43.503 0.300 . 1 . . . . 63 ARG CD . 10284 1 726 . 1 1 63 63 ARG CG C 13 27.282 0.300 . 1 . . . . 63 ARG CG . 10284 1 727 . 1 1 63 63 ARG N N 15 118.592 0.300 . 1 . . . . 63 ARG N . 10284 1 728 . 1 1 64 64 LYS H H 1 8.213 0.030 . 1 . . . . 64 LYS H . 10284 1 729 . 1 1 64 64 LYS HA H 1 4.365 0.030 . 1 . . . . 64 LYS HA . 10284 1 730 . 1 1 64 64 LYS HB2 H 1 1.914 0.030 . 2 . . . . 64 LYS HB2 . 10284 1 731 . 1 1 64 64 LYS HB3 H 1 1.778 0.030 . 2 . . . . 64 LYS HB3 . 10284 1 732 . 1 1 64 64 LYS HD2 H 1 1.671 0.030 . 1 . . . . 64 LYS HD2 . 10284 1 733 . 1 1 64 64 LYS HD3 H 1 1.671 0.030 . 1 . . . . 64 LYS HD3 . 10284 1 734 . 1 1 64 64 LYS HE2 H 1 2.981 0.030 . 1 . . . . 64 LYS HE2 . 10284 1 735 . 1 1 64 64 LYS HE3 H 1 2.981 0.030 . 1 . . . . 64 LYS HE3 . 10284 1 736 . 1 1 64 64 LYS HG2 H 1 1.474 0.030 . 1 . . . . 64 LYS HG2 . 10284 1 737 . 1 1 64 64 LYS HG3 H 1 1.474 0.030 . 1 . . . . 64 LYS HG3 . 10284 1 738 . 1 1 64 64 LYS C C 13 176.677 0.300 . 1 . . . . 64 LYS C . 10284 1 739 . 1 1 64 64 LYS CA C 13 56.329 0.300 . 1 . . . . 64 LYS CA . 10284 1 740 . 1 1 64 64 LYS CB C 13 32.906 0.300 . 1 . . . . 64 LYS CB . 10284 1 741 . 1 1 64 64 LYS CD C 13 29.037 0.300 . 1 . . . . 64 LYS CD . 10284 1 742 . 1 1 64 64 LYS CE C 13 42.164 0.300 . 1 . . . . 64 LYS CE . 10284 1 743 . 1 1 64 64 LYS CG C 13 24.853 0.300 . 1 . . . . 64 LYS CG . 10284 1 744 . 1 1 64 64 LYS N N 15 121.456 0.300 . 1 . . . . 64 LYS N . 10284 1 745 . 1 1 65 65 SER H H 1 8.289 0.030 . 1 . . . . 65 SER H . 10284 1 746 . 1 1 65 65 SER HA H 1 4.510 0.030 . 1 . . . . 65 SER HA . 10284 1 747 . 1 1 65 65 SER HB2 H 1 3.883 0.030 . 1 . . . . 65 SER HB2 . 10284 1 748 . 1 1 65 65 SER HB3 H 1 3.883 0.030 . 1 . . . . 65 SER HB3 . 10284 1 749 . 1 1 65 65 SER C C 13 174.492 0.300 . 1 . . . . 65 SER C . 10284 1 750 . 1 1 65 65 SER CA C 13 58.303 0.300 . 1 . . . . 65 SER CA . 10284 1 751 . 1 1 65 65 SER CB C 13 64.052 0.300 . 1 . . . . 65 SER CB . 10284 1 752 . 1 1 65 65 SER N N 15 116.719 0.300 . 1 . . . . 65 SER N . 10284 1 753 . 1 1 66 66 GLY H H 1 8.242 0.030 . 1 . . . . 66 GLY H . 10284 1 754 . 1 1 66 66 GLY HA2 H 1 4.120 0.030 . 2 . . . . 66 GLY HA2 . 10284 1 755 . 1 1 66 66 GLY HA3 H 1 4.148 0.030 . 2 . . . . 66 GLY HA3 . 10284 1 756 . 1 1 66 66 GLY C C 13 171.798 0.300 . 1 . . . . 66 GLY C . 10284 1 757 . 1 1 66 66 GLY CA C 13 44.687 0.300 . 1 . . . . 66 GLY CA . 10284 1 758 . 1 1 66 66 GLY N N 15 110.632 0.300 . 1 . . . . 66 GLY N . 10284 1 759 . 1 1 67 67 PRO HA H 1 4.458 0.030 . 1 . . . . 67 PRO HA . 10284 1 760 . 1 1 67 67 PRO HB2 H 1 1.972 0.030 . 2 . . . . 67 PRO HB2 . 10284 1 761 . 1 1 67 67 PRO HB3 H 1 2.274 0.030 . 2 . . . . 67 PRO HB3 . 10284 1 762 . 1 1 67 67 PRO HD2 H 1 3.589 0.030 . 2 . . . . 67 PRO HD2 . 10284 1 763 . 1 1 67 67 PRO HD3 H 1 3.624 0.030 . 2 . . . . 67 PRO HD3 . 10284 1 764 . 1 1 67 67 PRO HG2 H 1 2.003 0.030 . 1 . . . . 67 PRO HG2 . 10284 1 765 . 1 1 67 67 PRO HG3 H 1 2.003 0.030 . 1 . . . . 67 PRO HG3 . 10284 1 766 . 1 1 67 67 PRO C C 13 177.429 0.300 . 1 . . . . 67 PRO C . 10284 1 767 . 1 1 67 67 PRO CA C 13 63.309 0.300 . 1 . . . . 67 PRO CA . 10284 1 768 . 1 1 67 67 PRO CB C 13 32.200 0.300 . 1 . . . . 67 PRO CB . 10284 1 769 . 1 1 67 67 PRO CD C 13 49.781 0.300 . 1 . . . . 67 PRO CD . 10284 1 770 . 1 1 67 67 PRO CG C 13 27.142 0.300 . 1 . . . . 67 PRO CG . 10284 1 771 . 1 1 68 68 SER H H 1 8.535 0.030 . 1 . . . . 68 SER H . 10284 1 772 . 1 1 68 68 SER HA H 1 4.482 0.030 . 1 . . . . 68 SER HA . 10284 1 773 . 1 1 68 68 SER HB2 H 1 3.896 0.030 . 1 . . . . 68 SER HB2 . 10284 1 774 . 1 1 68 68 SER HB3 H 1 3.896 0.030 . 1 . . . . 68 SER HB3 . 10284 1 775 . 1 1 68 68 SER C C 13 174.638 0.300 . 1 . . . . 68 SER C . 10284 1 776 . 1 1 68 68 SER CA C 13 58.444 0.300 . 1 . . . . 68 SER CA . 10284 1 777 . 1 1 68 68 SER CB C 13 63.838 0.300 . 1 . . . . 68 SER CB . 10284 1 778 . 1 1 68 68 SER N N 15 116.359 0.300 . 1 . . . . 68 SER N . 10284 1 779 . 1 1 69 69 SER H H 1 8.300 0.030 . 1 . . . . 69 SER H . 10284 1 780 . 1 1 69 69 SER HA H 1 4.477 0.030 . 1 . . . . 69 SER HA . 10284 1 781 . 1 1 69 69 SER HB2 H 1 3.878 0.030 . 1 . . . . 69 SER HB2 . 10284 1 782 . 1 1 69 69 SER HB3 H 1 3.878 0.030 . 1 . . . . 69 SER HB3 . 10284 1 783 . 1 1 69 69 SER C C 13 173.934 0.300 . 1 . . . . 69 SER C . 10284 1 784 . 1 1 69 69 SER CA C 13 58.374 0.300 . 1 . . . . 69 SER CA . 10284 1 785 . 1 1 69 69 SER CB C 13 64.134 0.300 . 1 . . . . 69 SER CB . 10284 1 786 . 1 1 69 69 SER N N 15 117.715 0.300 . 1 . . . . 69 SER N . 10284 1 787 . 1 1 70 70 GLY H H 1 8.049 0.030 . 1 . . . . 70 GLY H . 10284 1 788 . 1 1 70 70 GLY HA2 H 1 4.479 0.030 . 2 . . . . 70 GLY HA2 . 10284 1 789 . 1 1 70 70 GLY C C 13 179.007 0.300 . 1 . . . . 70 GLY C . 10284 1 790 . 1 1 70 70 GLY CA C 13 46.177 0.300 . 1 . . . . 70 GLY CA . 10284 1 791 . 1 1 70 70 GLY N N 15 116.845 0.300 . 1 . . . . 70 GLY N . 10284 1 stop_ save_