data_10285 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10285 _Entry.Title ; Solution structure of the third 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 . . . 10285 2 T. Kigawa . . . 10285 3 T. Tomizawa . . . 10285 4 S. Koshiba . . . 10285 5 M. Inoue . . . 10285 6 S. Yokoyama . . . 10285 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' 10285 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10285 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 332 10285 '15N chemical shifts' 76 10285 '1H chemical shifts' 531 10285 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 . 10285 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DA3 'BMRB Entry Tracking System' 10285 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10285 _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 third 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 . . . 10285 1 2 T. Kigawa . . . 10285 1 3 T. Tomizawa . . . 10285 1 4 S. Koshiba . . . 10285 1 5 M. Inoue . . . 10285 1 6 S. Yokoyama . . . 10285 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10285 _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 third homeobox domain' 1 $entity_1 . . yes native no no . . . 10285 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 2DA3 . . . . . . 10285 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10285 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The third 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 ; GSSGSSGGTGGEEPQRDKRL RTTITPEQLEILYQKYLLDS NPTRKMLDHIAHEVGLKKRV VQVWFQNTRARERKSGPSSG ; _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 80 _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 2DA3 . "Solution Structure Of The Third Homeobox Domain Of At- Binding Transcription Factor 1 (Atbf1)" . . . . . 100.00 80 100.00 100.00 2.09e-50 . . . . 10285 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'The third homeobox domain' . 10285 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 . 10285 1 2 . SER . 10285 1 3 . SER . 10285 1 4 . GLY . 10285 1 5 . SER . 10285 1 6 . SER . 10285 1 7 . GLY . 10285 1 8 . GLY . 10285 1 9 . THR . 10285 1 10 . GLY . 10285 1 11 . GLY . 10285 1 12 . GLU . 10285 1 13 . GLU . 10285 1 14 . PRO . 10285 1 15 . GLN . 10285 1 16 . ARG . 10285 1 17 . ASP . 10285 1 18 . LYS . 10285 1 19 . ARG . 10285 1 20 . LEU . 10285 1 21 . ARG . 10285 1 22 . THR . 10285 1 23 . THR . 10285 1 24 . ILE . 10285 1 25 . THR . 10285 1 26 . PRO . 10285 1 27 . GLU . 10285 1 28 . GLN . 10285 1 29 . LEU . 10285 1 30 . GLU . 10285 1 31 . ILE . 10285 1 32 . LEU . 10285 1 33 . TYR . 10285 1 34 . GLN . 10285 1 35 . LYS . 10285 1 36 . TYR . 10285 1 37 . LEU . 10285 1 38 . LEU . 10285 1 39 . ASP . 10285 1 40 . SER . 10285 1 41 . ASN . 10285 1 42 . PRO . 10285 1 43 . THR . 10285 1 44 . ARG . 10285 1 45 . LYS . 10285 1 46 . MET . 10285 1 47 . LEU . 10285 1 48 . ASP . 10285 1 49 . HIS . 10285 1 50 . ILE . 10285 1 51 . ALA . 10285 1 52 . HIS . 10285 1 53 . GLU . 10285 1 54 . VAL . 10285 1 55 . GLY . 10285 1 56 . LEU . 10285 1 57 . LYS . 10285 1 58 . LYS . 10285 1 59 . ARG . 10285 1 60 . VAL . 10285 1 61 . VAL . 10285 1 62 . GLN . 10285 1 63 . VAL . 10285 1 64 . TRP . 10285 1 65 . PHE . 10285 1 66 . GLN . 10285 1 67 . ASN . 10285 1 68 . THR . 10285 1 69 . ARG . 10285 1 70 . ALA . 10285 1 71 . ARG . 10285 1 72 . GLU . 10285 1 73 . ARG . 10285 1 74 . LYS . 10285 1 75 . SER . 10285 1 76 . GLY . 10285 1 77 . PRO . 10285 1 78 . SER . 10285 1 79 . SER . 10285 1 80 . GLY . 10285 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 10285 1 . SER 2 2 10285 1 . SER 3 3 10285 1 . GLY 4 4 10285 1 . SER 5 5 10285 1 . SER 6 6 10285 1 . GLY 7 7 10285 1 . GLY 8 8 10285 1 . THR 9 9 10285 1 . GLY 10 10 10285 1 . GLY 11 11 10285 1 . GLU 12 12 10285 1 . GLU 13 13 10285 1 . PRO 14 14 10285 1 . GLN 15 15 10285 1 . ARG 16 16 10285 1 . ASP 17 17 10285 1 . LYS 18 18 10285 1 . ARG 19 19 10285 1 . LEU 20 20 10285 1 . ARG 21 21 10285 1 . THR 22 22 10285 1 . THR 23 23 10285 1 . ILE 24 24 10285 1 . THR 25 25 10285 1 . PRO 26 26 10285 1 . GLU 27 27 10285 1 . GLN 28 28 10285 1 . LEU 29 29 10285 1 . GLU 30 30 10285 1 . ILE 31 31 10285 1 . LEU 32 32 10285 1 . TYR 33 33 10285 1 . GLN 34 34 10285 1 . LYS 35 35 10285 1 . TYR 36 36 10285 1 . LEU 37 37 10285 1 . LEU 38 38 10285 1 . ASP 39 39 10285 1 . SER 40 40 10285 1 . ASN 41 41 10285 1 . PRO 42 42 10285 1 . THR 43 43 10285 1 . ARG 44 44 10285 1 . LYS 45 45 10285 1 . MET 46 46 10285 1 . LEU 47 47 10285 1 . ASP 48 48 10285 1 . HIS 49 49 10285 1 . ILE 50 50 10285 1 . ALA 51 51 10285 1 . HIS 52 52 10285 1 . GLU 53 53 10285 1 . VAL 54 54 10285 1 . GLY 55 55 10285 1 . LEU 56 56 10285 1 . LYS 57 57 10285 1 . LYS 58 58 10285 1 . ARG 59 59 10285 1 . VAL 60 60 10285 1 . VAL 61 61 10285 1 . GLN 62 62 10285 1 . VAL 63 63 10285 1 . TRP 64 64 10285 1 . PHE 65 65 10285 1 . GLN 66 66 10285 1 . ASN 67 67 10285 1 . THR 68 68 10285 1 . ARG 69 69 10285 1 . ALA 70 70 10285 1 . ARG 71 71 10285 1 . GLU 72 72 10285 1 . ARG 73 73 10285 1 . LYS 74 74 10285 1 . SER 75 75 10285 1 . GLY 76 76 10285 1 . PRO 77 77 10285 1 . SER 78 78 10285 1 . SER 79 79 10285 1 . GLY 80 80 10285 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 10285 _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 . . . . . . . . . . . . . . . . . . . . . 10285 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 10285 _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 . . P050322-09 . . . . . . 10285 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10285 _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 third homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.1 . . mM . . . . 10285 1 2 d-TrisHCl . . . . . . buffer 20 . . mM . . . . 10285 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10285 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10285 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10285 1 6 H2O . . . . . . solvent 90 . . % . . . . 10285 1 7 D2O . . . . . . solvent 10 . . % . . . . 10285 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 10285 _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 10285 1 pH 7.0 0.05 pH 10285 1 pressure 1 0.001 atm 10285 1 temperature 298 0.1 K 10285 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10285 _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 . . 10285 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10285 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10285 _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.' . . 10285 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10285 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10285 _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.' . . 10285 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10285 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10285 _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.' . . 10285 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10285 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10285 _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.' . . 10285 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10285 5 'structure solution' 10285 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 10285 _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 10285 _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 . . . 10285 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 10285 _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 . . . . . . . . . . . . . . . . 10285 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10285 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 10285 _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 . . . . . . . . . 10285 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10285 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10285 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 10285 _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 10285 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10285 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 GLY HA2 H 1 4.031 0.030 . 1 . . . . 8 GLY HA2 . 10285 1 2 . 1 1 8 8 GLY HA3 H 1 4.031 0.030 . 1 . . . . 8 GLY HA3 . 10285 1 3 . 1 1 8 8 GLY C C 13 174.729 0.300 . 1 . . . . 8 GLY C . 10285 1 4 . 1 1 8 8 GLY CA C 13 45.278 0.300 . 1 . . . . 8 GLY CA . 10285 1 5 . 1 1 9 9 THR H H 1 8.248 0.030 . 1 . . . . 9 THR H . 10285 1 6 . 1 1 9 9 THR HA H 1 4.376 0.030 . 1 . . . . 9 THR HA . 10285 1 7 . 1 1 9 9 THR HB H 1 4.291 0.030 . 1 . . . . 9 THR HB . 10285 1 8 . 1 1 9 9 THR HG21 H 1 1.175 0.030 . 1 . . . . 9 THR HG2 . 10285 1 9 . 1 1 9 9 THR HG22 H 1 1.175 0.030 . 1 . . . . 9 THR HG2 . 10285 1 10 . 1 1 9 9 THR HG23 H 1 1.175 0.030 . 1 . . . . 9 THR HG2 . 10285 1 11 . 1 1 9 9 THR C C 13 175.485 0.300 . 1 . . . . 9 THR C . 10285 1 12 . 1 1 9 9 THR CA C 13 61.837 0.300 . 1 . . . . 9 THR CA . 10285 1 13 . 1 1 9 9 THR CB C 13 69.737 0.300 . 1 . . . . 9 THR CB . 10285 1 14 . 1 1 9 9 THR CG2 C 13 21.645 0.300 . 1 . . . . 9 THR CG2 . 10285 1 15 . 1 1 9 9 THR N N 15 112.908 0.300 . 1 . . . . 9 THR N . 10285 1 16 . 1 1 10 10 GLY H H 1 8.581 0.030 . 1 . . . . 10 GLY H . 10285 1 17 . 1 1 10 10 GLY HA2 H 1 3.985 0.030 . 1 . . . . 10 GLY HA2 . 10285 1 18 . 1 1 10 10 GLY HA3 H 1 3.985 0.030 . 1 . . . . 10 GLY HA3 . 10285 1 19 . 1 1 10 10 GLY C C 13 174.705 0.300 . 1 . . . . 10 GLY C . 10285 1 20 . 1 1 10 10 GLY CA C 13 45.455 0.300 . 1 . . . . 10 GLY CA . 10285 1 21 . 1 1 10 10 GLY N N 15 111.487 0.300 . 1 . . . . 10 GLY N . 10285 1 22 . 1 1 11 11 GLY H H 1 8.286 0.030 . 1 . . . . 11 GLY H . 10285 1 23 . 1 1 11 11 GLY HA2 H 1 3.958 0.030 . 1 . . . . 11 GLY HA2 . 10285 1 24 . 1 1 11 11 GLY HA3 H 1 3.958 0.030 . 1 . . . . 11 GLY HA3 . 10285 1 25 . 1 1 11 11 GLY C C 13 174.071 0.300 . 1 . . . . 11 GLY C . 10285 1 26 . 1 1 11 11 GLY CA C 13 45.101 0.300 . 1 . . . . 11 GLY CA . 10285 1 27 . 1 1 11 11 GLY N N 15 108.887 0.300 . 1 . . . . 11 GLY N . 10285 1 28 . 1 1 12 12 GLU H H 1 8.333 0.030 . 1 . . . . 12 GLU H . 10285 1 29 . 1 1 12 12 GLU HA H 1 4.271 0.030 . 1 . . . . 12 GLU HA . 10285 1 30 . 1 1 12 12 GLU HB2 H 1 1.877 0.030 . 2 . . . . 12 GLU HB2 . 10285 1 31 . 1 1 12 12 GLU HB3 H 1 1.995 0.030 . 2 . . . . 12 GLU HB3 . 10285 1 32 . 1 1 12 12 GLU HG2 H 1 2.216 0.030 . 1 . . . . 12 GLU HG2 . 10285 1 33 . 1 1 12 12 GLU HG3 H 1 2.216 0.030 . 1 . . . . 12 GLU HG3 . 10285 1 34 . 1 1 12 12 GLU C C 13 176.435 0.300 . 1 . . . . 12 GLU C . 10285 1 35 . 1 1 12 12 GLU CA C 13 56.278 0.300 . 1 . . . . 12 GLU CA . 10285 1 36 . 1 1 12 12 GLU CB C 13 30.358 0.300 . 1 . . . . 12 GLU CB . 10285 1 37 . 1 1 12 12 GLU CG C 13 36.197 0.300 . 1 . . . . 12 GLU CG . 10285 1 38 . 1 1 12 12 GLU N N 15 120.407 0.300 . 1 . . . . 12 GLU N . 10285 1 39 . 1 1 13 13 GLU H H 1 8.546 0.030 . 1 . . . . 13 GLU H . 10285 1 40 . 1 1 13 13 GLU HA H 1 4.521 0.030 . 1 . . . . 13 GLU HA . 10285 1 41 . 1 1 13 13 GLU HB2 H 1 1.881 0.030 . 2 . . . . 13 GLU HB2 . 10285 1 42 . 1 1 13 13 GLU HB3 H 1 1.996 0.030 . 2 . . . . 13 GLU HB3 . 10285 1 43 . 1 1 13 13 GLU HG2 H 1 2.259 0.030 . 1 . . . . 13 GLU HG2 . 10285 1 44 . 1 1 13 13 GLU HG3 H 1 2.259 0.030 . 1 . . . . 13 GLU HG3 . 10285 1 45 . 1 1 13 13 GLU C C 13 174.648 0.300 . 1 . . . . 13 GLU C . 10285 1 46 . 1 1 13 13 GLU CA C 13 54.687 0.300 . 1 . . . . 13 GLU CA . 10285 1 47 . 1 1 13 13 GLU CB C 13 29.688 0.300 . 1 . . . . 13 GLU CB . 10285 1 48 . 1 1 13 13 GLU CG C 13 35.933 0.300 . 1 . . . . 13 GLU CG . 10285 1 49 . 1 1 13 13 GLU N N 15 123.832 0.300 . 1 . . . . 13 GLU N . 10285 1 50 . 1 1 14 14 PRO HA H 1 4.375 0.030 . 1 . . . . 14 PRO HA . 10285 1 51 . 1 1 14 14 PRO HB2 H 1 1.847 0.030 . 2 . . . . 14 PRO HB2 . 10285 1 52 . 1 1 14 14 PRO HB3 H 1 2.267 0.030 . 2 . . . . 14 PRO HB3 . 10285 1 53 . 1 1 14 14 PRO HD2 H 1 3.790 0.030 . 2 . . . . 14 PRO HD2 . 10285 1 54 . 1 1 14 14 PRO HD3 H 1 3.666 0.030 . 2 . . . . 14 PRO HD3 . 10285 1 55 . 1 1 14 14 PRO HG2 H 1 1.990 0.030 . 1 . . . . 14 PRO HG2 . 10285 1 56 . 1 1 14 14 PRO HG3 H 1 1.990 0.030 . 1 . . . . 14 PRO HG3 . 10285 1 57 . 1 1 14 14 PRO C C 13 177.117 0.300 . 1 . . . . 14 PRO C . 10285 1 58 . 1 1 14 14 PRO CA C 13 63.379 0.300 . 1 . . . . 14 PRO CA . 10285 1 59 . 1 1 14 14 PRO CB C 13 32.003 0.300 . 1 . . . . 14 PRO CB . 10285 1 60 . 1 1 14 14 PRO CD C 13 50.694 0.300 . 1 . . . . 14 PRO CD . 10285 1 61 . 1 1 14 14 PRO CG C 13 27.312 0.300 . 1 . . . . 14 PRO CG . 10285 1 62 . 1 1 15 15 GLN H H 1 8.543 0.030 . 1 . . . . 15 GLN H . 10285 1 63 . 1 1 15 15 GLN HA H 1 4.230 0.030 . 1 . . . . 15 GLN HA . 10285 1 64 . 1 1 15 15 GLN HB2 H 1 1.972 0.030 . 2 . . . . 15 GLN HB2 . 10285 1 65 . 1 1 15 15 GLN HB3 H 1 2.081 0.030 . 2 . . . . 15 GLN HB3 . 10285 1 66 . 1 1 15 15 GLN HE21 H 1 7.604 0.030 . 2 . . . . 15 GLN HE21 . 10285 1 67 . 1 1 15 15 GLN HE22 H 1 6.893 0.030 . 2 . . . . 15 GLN HE22 . 10285 1 68 . 1 1 15 15 GLN HG2 H 1 2.371 0.030 . 1 . . . . 15 GLN HG2 . 10285 1 69 . 1 1 15 15 GLN HG3 H 1 2.371 0.030 . 1 . . . . 15 GLN HG3 . 10285 1 70 . 1 1 15 15 GLN C C 13 176.459 0.300 . 1 . . . . 15 GLN C . 10285 1 71 . 1 1 15 15 GLN CA C 13 56.171 0.300 . 1 . . . . 15 GLN CA . 10285 1 72 . 1 1 15 15 GLN CB C 13 28.935 0.300 . 1 . . . . 15 GLN CB . 10285 1 73 . 1 1 15 15 GLN CG C 13 33.817 0.300 . 1 . . . . 15 GLN CG . 10285 1 74 . 1 1 15 15 GLN N N 15 120.153 0.300 . 1 . . . . 15 GLN N . 10285 1 75 . 1 1 15 15 GLN NE2 N 15 112.997 0.300 . 1 . . . . 15 GLN NE2 . 10285 1 76 . 1 1 16 16 ARG H H 1 8.337 0.030 . 1 . . . . 16 ARG H . 10285 1 77 . 1 1 16 16 ARG HA H 1 4.219 0.030 . 1 . . . . 16 ARG HA . 10285 1 78 . 1 1 16 16 ARG HB2 H 1 1.767 0.030 . 1 . . . . 16 ARG HB2 . 10285 1 79 . 1 1 16 16 ARG HB3 H 1 1.767 0.030 . 1 . . . . 16 ARG HB3 . 10285 1 80 . 1 1 16 16 ARG HD2 H 1 3.192 0.030 . 1 . . . . 16 ARG HD2 . 10285 1 81 . 1 1 16 16 ARG HD3 H 1 3.192 0.030 . 1 . . . . 16 ARG HD3 . 10285 1 82 . 1 1 16 16 ARG HG2 H 1 1.604 0.030 . 1 . . . . 16 ARG HG2 . 10285 1 83 . 1 1 16 16 ARG HG3 H 1 1.604 0.030 . 1 . . . . 16 ARG HG3 . 10285 1 84 . 1 1 16 16 ARG C C 13 176.216 0.300 . 1 . . . . 16 ARG C . 10285 1 85 . 1 1 16 16 ARG CA C 13 56.809 0.300 . 1 . . . . 16 ARG CA . 10285 1 86 . 1 1 16 16 ARG CB C 13 30.666 0.300 . 1 . . . . 16 ARG CB . 10285 1 87 . 1 1 16 16 ARG CD C 13 43.353 0.300 . 1 . . . . 16 ARG CD . 10285 1 88 . 1 1 16 16 ARG CG C 13 27.159 0.300 . 1 . . . . 16 ARG CG . 10285 1 89 . 1 1 16 16 ARG N N 15 122.090 0.300 . 1 . . . . 16 ARG N . 10285 1 90 . 1 1 17 17 ASP H H 1 8.313 0.030 . 1 . . . . 17 ASP H . 10285 1 91 . 1 1 17 17 ASP HA H 1 4.523 0.030 . 1 . . . . 17 ASP HA . 10285 1 92 . 1 1 17 17 ASP HB2 H 1 2.617 0.030 . 2 . . . . 17 ASP HB2 . 10285 1 93 . 1 1 17 17 ASP HB3 H 1 2.713 0.030 . 2 . . . . 17 ASP HB3 . 10285 1 94 . 1 1 17 17 ASP C C 13 176.727 0.300 . 1 . . . . 17 ASP C . 10285 1 95 . 1 1 17 17 ASP CA C 13 54.591 0.300 . 1 . . . . 17 ASP CA . 10285 1 96 . 1 1 17 17 ASP CB C 13 41.097 0.300 . 1 . . . . 17 ASP CB . 10285 1 97 . 1 1 17 17 ASP N N 15 120.664 0.300 . 1 . . . . 17 ASP N . 10285 1 98 . 1 1 18 18 LYS H H 1 8.276 0.030 . 1 . . . . 18 LYS H . 10285 1 99 . 1 1 18 18 LYS HA H 1 4.175 0.030 . 1 . . . . 18 LYS HA . 10285 1 100 . 1 1 18 18 LYS HB2 H 1 1.858 0.030 . 2 . . . . 18 LYS HB2 . 10285 1 101 . 1 1 18 18 LYS HB3 H 1 1.745 0.030 . 2 . . . . 18 LYS HB3 . 10285 1 102 . 1 1 18 18 LYS HD2 H 1 1.650 0.030 . 1 . . . . 18 LYS HD2 . 10285 1 103 . 1 1 18 18 LYS HD3 H 1 1.650 0.030 . 1 . . . . 18 LYS HD3 . 10285 1 104 . 1 1 18 18 LYS HE2 H 1 2.969 0.030 . 1 . . . . 18 LYS HE2 . 10285 1 105 . 1 1 18 18 LYS HE3 H 1 2.969 0.030 . 1 . . . . 18 LYS HE3 . 10285 1 106 . 1 1 18 18 LYS HG2 H 1 1.375 0.030 . 2 . . . . 18 LYS HG2 . 10285 1 107 . 1 1 18 18 LYS HG3 H 1 1.437 0.030 . 2 . . . . 18 LYS HG3 . 10285 1 108 . 1 1 18 18 LYS C C 13 176.971 0.300 . 1 . . . . 18 LYS C . 10285 1 109 . 1 1 18 18 LYS CA C 13 56.971 0.300 . 1 . . . . 18 LYS CA . 10285 1 110 . 1 1 18 18 LYS CB C 13 32.562 0.300 . 1 . . . . 18 LYS CB . 10285 1 111 . 1 1 18 18 LYS CD C 13 29.129 0.300 . 1 . . . . 18 LYS CD . 10285 1 112 . 1 1 18 18 LYS CE C 13 42.091 0.300 . 1 . . . . 18 LYS CE . 10285 1 113 . 1 1 18 18 LYS CG C 13 24.830 0.300 . 1 . . . . 18 LYS CG . 10285 1 114 . 1 1 18 18 LYS N N 15 122.504 0.300 . 1 . . . . 18 LYS N . 10285 1 115 . 1 1 19 19 ARG H H 1 8.240 0.030 . 1 . . . . 19 ARG H . 10285 1 116 . 1 1 19 19 ARG HA H 1 4.205 0.030 . 1 . . . . 19 ARG HA . 10285 1 117 . 1 1 19 19 ARG HB2 H 1 1.807 0.030 . 1 . . . . 19 ARG HB2 . 10285 1 118 . 1 1 19 19 ARG HB3 H 1 1.807 0.030 . 1 . . . . 19 ARG HB3 . 10285 1 119 . 1 1 19 19 ARG HD2 H 1 3.157 0.030 . 1 . . . . 19 ARG HD2 . 10285 1 120 . 1 1 19 19 ARG HD3 H 1 3.157 0.030 . 1 . . . . 19 ARG HD3 . 10285 1 121 . 1 1 19 19 ARG HG2 H 1 1.607 0.030 . 1 . . . . 19 ARG HG2 . 10285 1 122 . 1 1 19 19 ARG HG3 H 1 1.607 0.030 . 1 . . . . 19 ARG HG3 . 10285 1 123 . 1 1 19 19 ARG C C 13 176.532 0.300 . 1 . . . . 19 ARG C . 10285 1 124 . 1 1 19 19 ARG CA C 13 56.632 0.300 . 1 . . . . 19 ARG CA . 10285 1 125 . 1 1 19 19 ARG CB C 13 30.647 0.300 . 1 . . . . 19 ARG CB . 10285 1 126 . 1 1 19 19 ARG CD C 13 43.360 0.300 . 1 . . . . 19 ARG CD . 10285 1 127 . 1 1 19 19 ARG CG C 13 27.159 0.300 . 1 . . . . 19 ARG CG . 10285 1 128 . 1 1 19 19 ARG N N 15 120.296 0.300 . 1 . . . . 19 ARG N . 10285 1 129 . 1 1 20 20 LEU H H 1 8.068 0.030 . 1 . . . . 20 LEU H . 10285 1 130 . 1 1 20 20 LEU HA H 1 4.262 0.030 . 1 . . . . 20 LEU HA . 10285 1 131 . 1 1 20 20 LEU HB2 H 1 1.483 0.030 . 2 . . . . 20 LEU HB2 . 10285 1 132 . 1 1 20 20 LEU HB3 H 1 1.674 0.030 . 2 . . . . 20 LEU HB3 . 10285 1 133 . 1 1 20 20 LEU HD11 H 1 0.813 0.030 . 1 . . . . 20 LEU HD1 . 10285 1 134 . 1 1 20 20 LEU HD12 H 1 0.813 0.030 . 1 . . . . 20 LEU HD1 . 10285 1 135 . 1 1 20 20 LEU HD13 H 1 0.813 0.030 . 1 . . . . 20 LEU HD1 . 10285 1 136 . 1 1 20 20 LEU HD21 H 1 0.905 0.030 . 1 . . . . 20 LEU HD2 . 10285 1 137 . 1 1 20 20 LEU HD22 H 1 0.905 0.030 . 1 . . . . 20 LEU HD2 . 10285 1 138 . 1 1 20 20 LEU HD23 H 1 0.905 0.030 . 1 . . . . 20 LEU HD2 . 10285 1 139 . 1 1 20 20 LEU HG H 1 1.603 0.030 . 1 . . . . 20 LEU HG . 10285 1 140 . 1 1 20 20 LEU C C 13 177.288 0.300 . 1 . . . . 20 LEU C . 10285 1 141 . 1 1 20 20 LEU CA C 13 55.110 0.300 . 1 . . . . 20 LEU CA . 10285 1 142 . 1 1 20 20 LEU CB C 13 42.081 0.300 . 1 . . . . 20 LEU CB . 10285 1 143 . 1 1 20 20 LEU CD1 C 13 23.339 0.300 . 2 . . . . 20 LEU CD1 . 10285 1 144 . 1 1 20 20 LEU CD2 C 13 25.087 0.300 . 2 . . . . 20 LEU CD2 . 10285 1 145 . 1 1 20 20 LEU CG C 13 26.985 0.300 . 1 . . . . 20 LEU CG . 10285 1 146 . 1 1 20 20 LEU N N 15 121.867 0.300 . 1 . . . . 20 LEU N . 10285 1 147 . 1 1 21 21 ARG H H 1 8.226 0.030 . 1 . . . . 21 ARG H . 10285 1 148 . 1 1 21 21 ARG HA H 1 4.413 0.030 . 1 . . . . 21 ARG HA . 10285 1 149 . 1 1 21 21 ARG HB2 H 1 1.928 0.030 . 2 . . . . 21 ARG HB2 . 10285 1 150 . 1 1 21 21 ARG HB3 H 1 1.832 0.030 . 2 . . . . 21 ARG HB3 . 10285 1 151 . 1 1 21 21 ARG HD2 H 1 3.193 0.030 . 1 . . . . 21 ARG HD2 . 10285 1 152 . 1 1 21 21 ARG HD3 H 1 3.193 0.030 . 1 . . . . 21 ARG HD3 . 10285 1 153 . 1 1 21 21 ARG HG2 H 1 1.678 0.030 . 2 . . . . 21 ARG HG2 . 10285 1 154 . 1 1 21 21 ARG HG3 H 1 1.623 0.030 . 2 . . . . 21 ARG HG3 . 10285 1 155 . 1 1 21 21 ARG C C 13 176.313 0.300 . 1 . . . . 21 ARG C . 10285 1 156 . 1 1 21 21 ARG CA C 13 56.194 0.300 . 1 . . . . 21 ARG CA . 10285 1 157 . 1 1 21 21 ARG CB C 13 30.996 0.300 . 1 . . . . 21 ARG CB . 10285 1 158 . 1 1 21 21 ARG CD C 13 43.352 0.300 . 1 . . . . 21 ARG CD . 10285 1 159 . 1 1 21 21 ARG CG C 13 27.360 0.300 . 1 . . . . 21 ARG CG . 10285 1 160 . 1 1 21 21 ARG N N 15 121.612 0.300 . 1 . . . . 21 ARG N . 10285 1 161 . 1 1 22 22 THR H H 1 8.215 0.030 . 1 . . . . 22 THR H . 10285 1 162 . 1 1 22 22 THR HA H 1 4.405 0.030 . 1 . . . . 22 THR HA . 10285 1 163 . 1 1 22 22 THR HB H 1 4.209 0.030 . 1 . . . . 22 THR HB . 10285 1 164 . 1 1 22 22 THR HG21 H 1 1.185 0.030 . 1 . . . . 22 THR HG2 . 10285 1 165 . 1 1 22 22 THR HG22 H 1 1.185 0.030 . 1 . . . . 22 THR HG2 . 10285 1 166 . 1 1 22 22 THR HG23 H 1 1.185 0.030 . 1 . . . . 22 THR HG2 . 10285 1 167 . 1 1 22 22 THR C C 13 174.169 0.300 . 1 . . . . 22 THR C . 10285 1 168 . 1 1 22 22 THR CA C 13 61.963 0.300 . 1 . . . . 22 THR CA . 10285 1 169 . 1 1 22 22 THR CB C 13 69.779 0.300 . 1 . . . . 22 THR CB . 10285 1 170 . 1 1 22 22 THR CG2 C 13 21.674 0.300 . 1 . . . . 22 THR CG2 . 10285 1 171 . 1 1 22 22 THR N N 15 114.661 0.300 . 1 . . . . 22 THR N . 10285 1 172 . 1 1 23 23 THR H H 1 8.087 0.030 . 1 . . . . 23 THR H . 10285 1 173 . 1 1 23 23 THR HA H 1 4.308 0.030 . 1 . . . . 23 THR HA . 10285 1 174 . 1 1 23 23 THR HB H 1 4.114 0.030 . 1 . . . . 23 THR HB . 10285 1 175 . 1 1 23 23 THR HG21 H 1 1.173 0.030 . 1 . . . . 23 THR HG2 . 10285 1 176 . 1 1 23 23 THR HG22 H 1 1.173 0.030 . 1 . . . . 23 THR HG2 . 10285 1 177 . 1 1 23 23 THR HG23 H 1 1.173 0.030 . 1 . . . . 23 THR HG2 . 10285 1 178 . 1 1 23 23 THR C C 13 173.413 0.300 . 1 . . . . 23 THR C . 10285 1 179 . 1 1 23 23 THR CA C 13 62.158 0.300 . 1 . . . . 23 THR CA . 10285 1 180 . 1 1 23 23 THR CB C 13 69.916 0.300 . 1 . . . . 23 THR CB . 10285 1 181 . 1 1 23 23 THR CG2 C 13 21.599 0.300 . 1 . . . . 23 THR CG2 . 10285 1 182 . 1 1 23 23 THR N N 15 118.008 0.300 . 1 . . . . 23 THR N . 10285 1 183 . 1 1 24 24 ILE H H 1 8.110 0.030 . 1 . . . . 24 ILE H . 10285 1 184 . 1 1 24 24 ILE HA H 1 4.200 0.030 . 1 . . . . 24 ILE HA . 10285 1 185 . 1 1 24 24 ILE HB H 1 1.607 0.030 . 1 . . . . 24 ILE HB . 10285 1 186 . 1 1 24 24 ILE HD11 H 1 0.631 0.030 . 1 . . . . 24 ILE HD1 . 10285 1 187 . 1 1 24 24 ILE HD12 H 1 0.631 0.030 . 1 . . . . 24 ILE HD1 . 10285 1 188 . 1 1 24 24 ILE HD13 H 1 0.631 0.030 . 1 . . . . 24 ILE HD1 . 10285 1 189 . 1 1 24 24 ILE HG12 H 1 0.719 0.030 . 2 . . . . 24 ILE HG12 . 10285 1 190 . 1 1 24 24 ILE HG13 H 1 1.566 0.030 . 2 . . . . 24 ILE HG13 . 10285 1 191 . 1 1 24 24 ILE HG21 H 1 0.735 0.030 . 1 . . . . 24 ILE HG2 . 10285 1 192 . 1 1 24 24 ILE HG22 H 1 0.735 0.030 . 1 . . . . 24 ILE HG2 . 10285 1 193 . 1 1 24 24 ILE HG23 H 1 0.735 0.030 . 1 . . . . 24 ILE HG2 . 10285 1 194 . 1 1 24 24 ILE C C 13 176.654 0.300 . 1 . . . . 24 ILE C . 10285 1 195 . 1 1 24 24 ILE CA C 13 61.690 0.300 . 1 . . . . 24 ILE CA . 10285 1 196 . 1 1 24 24 ILE CB C 13 39.487 0.300 . 1 . . . . 24 ILE CB . 10285 1 197 . 1 1 24 24 ILE CD1 C 13 13.198 0.300 . 1 . . . . 24 ILE CD1 . 10285 1 198 . 1 1 24 24 ILE CG1 C 13 27.535 0.300 . 1 . . . . 24 ILE CG1 . 10285 1 199 . 1 1 24 24 ILE CG2 C 13 18.436 0.300 . 1 . . . . 24 ILE CG2 . 10285 1 200 . 1 1 24 24 ILE N N 15 124.852 0.300 . 1 . . . . 24 ILE N . 10285 1 201 . 1 1 25 25 THR H H 1 9.023 0.030 . 1 . . . . 25 THR H . 10285 1 202 . 1 1 25 25 THR HA H 1 4.564 0.030 . 1 . . . . 25 THR HA . 10285 1 203 . 1 1 25 25 THR HB H 1 4.766 0.030 . 1 . . . . 25 THR HB . 10285 1 204 . 1 1 25 25 THR HG21 H 1 1.280 0.030 . 1 . . . . 25 THR HG2 . 10285 1 205 . 1 1 25 25 THR HG22 H 1 1.280 0.030 . 1 . . . . 25 THR HG2 . 10285 1 206 . 1 1 25 25 THR HG23 H 1 1.280 0.030 . 1 . . . . 25 THR HG2 . 10285 1 207 . 1 1 25 25 THR C C 13 173.433 0.300 . 1 . . . . 25 THR C . 10285 1 208 . 1 1 25 25 THR CA C 13 60.759 0.300 . 1 . . . . 25 THR CA . 10285 1 209 . 1 1 25 25 THR CB C 13 68.089 0.300 . 1 . . . . 25 THR CB . 10285 1 210 . 1 1 25 25 THR CG2 C 13 21.713 0.300 . 1 . . . . 25 THR CG2 . 10285 1 211 . 1 1 25 25 THR N N 15 120.568 0.300 . 1 . . . . 25 THR N . 10285 1 212 . 1 1 26 26 PRO HA H 1 4.172 0.030 . 1 . . . . 26 PRO HA . 10285 1 213 . 1 1 26 26 PRO HB2 H 1 1.890 0.030 . 2 . . . . 26 PRO HB2 . 10285 1 214 . 1 1 26 26 PRO HB3 H 1 2.372 0.030 . 2 . . . . 26 PRO HB3 . 10285 1 215 . 1 1 26 26 PRO HD2 H 1 3.897 0.030 . 2 . . . . 26 PRO HD2 . 10285 1 216 . 1 1 26 26 PRO HD3 H 1 3.897 0.030 . 2 . . . . 26 PRO HD3 . 10285 1 217 . 1 1 26 26 PRO HG2 H 1 2.223 0.030 . 2 . . . . 26 PRO HG2 . 10285 1 218 . 1 1 26 26 PRO HG3 H 1 2.001 0.030 . 2 . . . . 26 PRO HG3 . 10285 1 219 . 1 1 26 26 PRO C C 13 179.237 0.300 . 1 . . . . 26 PRO C . 10285 1 220 . 1 1 26 26 PRO CA C 13 65.917 0.300 . 1 . . . . 26 PRO CA . 10285 1 221 . 1 1 26 26 PRO CB C 13 31.725 0.300 . 1 . . . . 26 PRO CB . 10285 1 222 . 1 1 26 26 PRO CD C 13 50.285 0.300 . 1 . . . . 26 PRO CD . 10285 1 223 . 1 1 26 26 PRO CG C 13 28.215 0.300 . 1 . . . . 26 PRO CG . 10285 1 224 . 1 1 27 27 GLU H H 1 8.722 0.030 . 1 . . . . 27 GLU H . 10285 1 225 . 1 1 27 27 GLU HA H 1 4.006 0.030 . 1 . . . . 27 GLU HA . 10285 1 226 . 1 1 27 27 GLU HB2 H 1 1.888 0.030 . 2 . . . . 27 GLU HB2 . 10285 1 227 . 1 1 27 27 GLU HB3 H 1 2.028 0.030 . 2 . . . . 27 GLU HB3 . 10285 1 228 . 1 1 27 27 GLU HG2 H 1 2.404 0.030 . 2 . . . . 27 GLU HG2 . 10285 1 229 . 1 1 27 27 GLU HG3 H 1 2.231 0.030 . 2 . . . . 27 GLU HG3 . 10285 1 230 . 1 1 27 27 GLU C C 13 179.749 0.300 . 1 . . . . 27 GLU C . 10285 1 231 . 1 1 27 27 GLU CA C 13 60.353 0.300 . 1 . . . . 27 GLU CA . 10285 1 232 . 1 1 27 27 GLU CB C 13 28.851 0.300 . 1 . . . . 27 GLU CB . 10285 1 233 . 1 1 27 27 GLU CG C 13 37.172 0.300 . 1 . . . . 27 GLU CG . 10285 1 234 . 1 1 27 27 GLU N N 15 117.087 0.300 . 1 . . . . 27 GLU N . 10285 1 235 . 1 1 28 28 GLN H H 1 7.666 0.030 . 1 . . . . 28 GLN H . 10285 1 236 . 1 1 28 28 GLN HA H 1 3.767 0.030 . 1 . . . . 28 GLN HA . 10285 1 237 . 1 1 28 28 GLN HB2 H 1 1.295 0.030 . 2 . . . . 28 GLN HB2 . 10285 1 238 . 1 1 28 28 GLN HB3 H 1 2.483 0.030 . 2 . . . . 28 GLN HB3 . 10285 1 239 . 1 1 28 28 GLN HE21 H 1 7.477 0.030 . 2 . . . . 28 GLN HE21 . 10285 1 240 . 1 1 28 28 GLN HE22 H 1 6.085 0.030 . 2 . . . . 28 GLN HE22 . 10285 1 241 . 1 1 28 28 GLN HG2 H 1 2.469 0.030 . 2 . . . . 28 GLN HG2 . 10285 1 242 . 1 1 28 28 GLN HG3 H 1 2.375 0.030 . 2 . . . . 28 GLN HG3 . 10285 1 243 . 1 1 28 28 GLN C C 13 177.872 0.300 . 1 . . . . 28 GLN C . 10285 1 244 . 1 1 28 28 GLN CA C 13 58.821 0.300 . 1 . . . . 28 GLN CA . 10285 1 245 . 1 1 28 28 GLN CB C 13 29.401 0.300 . 1 . . . . 28 GLN CB . 10285 1 246 . 1 1 28 28 GLN CG C 13 34.732 0.300 . 1 . . . . 28 GLN CG . 10285 1 247 . 1 1 28 28 GLN N N 15 119.298 0.300 . 1 . . . . 28 GLN N . 10285 1 248 . 1 1 28 28 GLN NE2 N 15 110.170 0.300 . 1 . . . . 28 GLN NE2 . 10285 1 249 . 1 1 29 29 LEU H H 1 8.453 0.030 . 1 . . . . 29 LEU H . 10285 1 250 . 1 1 29 29 LEU HA H 1 3.484 0.030 . 1 . . . . 29 LEU HA . 10285 1 251 . 1 1 29 29 LEU HB2 H 1 1.668 0.030 . 2 . . . . 29 LEU HB2 . 10285 1 252 . 1 1 29 29 LEU HB3 H 1 1.587 0.030 . 2 . . . . 29 LEU HB3 . 10285 1 253 . 1 1 29 29 LEU HD11 H 1 0.873 0.030 . 1 . . . . 29 LEU HD1 . 10285 1 254 . 1 1 29 29 LEU HD12 H 1 0.873 0.030 . 1 . . . . 29 LEU HD1 . 10285 1 255 . 1 1 29 29 LEU HD13 H 1 0.873 0.030 . 1 . . . . 29 LEU HD1 . 10285 1 256 . 1 1 29 29 LEU HD21 H 1 0.857 0.030 . 1 . . . . 29 LEU HD2 . 10285 1 257 . 1 1 29 29 LEU HD22 H 1 0.857 0.030 . 1 . . . . 29 LEU HD2 . 10285 1 258 . 1 1 29 29 LEU HD23 H 1 0.857 0.030 . 1 . . . . 29 LEU HD2 . 10285 1 259 . 1 1 29 29 LEU HG H 1 1.575 0.030 . 1 . . . . 29 LEU HG . 10285 1 260 . 1 1 29 29 LEU C C 13 178.092 0.300 . 1 . . . . 29 LEU C . 10285 1 261 . 1 1 29 29 LEU CA C 13 57.737 0.300 . 1 . . . . 29 LEU CA . 10285 1 262 . 1 1 29 29 LEU CB C 13 41.578 0.300 . 1 . . . . 29 LEU CB . 10285 1 263 . 1 1 29 29 LEU CD1 C 13 24.813 0.300 . 2 . . . . 29 LEU CD1 . 10285 1 264 . 1 1 29 29 LEU CD2 C 13 24.681 0.300 . 2 . . . . 29 LEU CD2 . 10285 1 265 . 1 1 29 29 LEU CG C 13 26.497 0.300 . 1 . . . . 29 LEU CG . 10285 1 266 . 1 1 29 29 LEU N N 15 120.145 0.300 . 1 . . . . 29 LEU N . 10285 1 267 . 1 1 30 30 GLU H H 1 7.607 0.030 . 1 . . . . 30 GLU H . 10285 1 268 . 1 1 30 30 GLU HA H 1 4.069 0.030 . 1 . . . . 30 GLU HA . 10285 1 269 . 1 1 30 30 GLU HB2 H 1 2.097 0.030 . 2 . . . . 30 GLU HB2 . 10285 1 270 . 1 1 30 30 GLU HB3 H 1 2.036 0.030 . 2 . . . . 30 GLU HB3 . 10285 1 271 . 1 1 30 30 GLU HG2 H 1 2.366 0.030 . 2 . . . . 30 GLU HG2 . 10285 1 272 . 1 1 30 30 GLU HG3 H 1 2.270 0.030 . 2 . . . . 30 GLU HG3 . 10285 1 273 . 1 1 30 30 GLU C C 13 179.140 0.300 . 1 . . . . 30 GLU C . 10285 1 274 . 1 1 30 30 GLU CA C 13 59.334 0.300 . 1 . . . . 30 GLU CA . 10285 1 275 . 1 1 30 30 GLU CB C 13 29.512 0.300 . 1 . . . . 30 GLU CB . 10285 1 276 . 1 1 30 30 GLU CG C 13 35.988 0.300 . 1 . . . . 30 GLU CG . 10285 1 277 . 1 1 30 30 GLU N N 15 116.903 0.300 . 1 . . . . 30 GLU N . 10285 1 278 . 1 1 31 31 ILE H H 1 7.070 0.030 . 1 . . . . 31 ILE H . 10285 1 279 . 1 1 31 31 ILE HA H 1 3.692 0.030 . 1 . . . . 31 ILE HA . 10285 1 280 . 1 1 31 31 ILE HB H 1 1.810 0.030 . 1 . . . . 31 ILE HB . 10285 1 281 . 1 1 31 31 ILE HD11 H 1 0.809 0.030 . 1 . . . . 31 ILE HD1 . 10285 1 282 . 1 1 31 31 ILE HD12 H 1 0.809 0.030 . 1 . . . . 31 ILE HD1 . 10285 1 283 . 1 1 31 31 ILE HD13 H 1 0.809 0.030 . 1 . . . . 31 ILE HD1 . 10285 1 284 . 1 1 31 31 ILE HG12 H 1 1.126 0.030 . 2 . . . . 31 ILE HG12 . 10285 1 285 . 1 1 31 31 ILE HG13 H 1 1.698 0.030 . 2 . . . . 31 ILE HG13 . 10285 1 286 . 1 1 31 31 ILE HG21 H 1 0.768 0.030 . 1 . . . . 31 ILE HG2 . 10285 1 287 . 1 1 31 31 ILE HG22 H 1 0.768 0.030 . 1 . . . . 31 ILE HG2 . 10285 1 288 . 1 1 31 31 ILE HG23 H 1 0.768 0.030 . 1 . . . . 31 ILE HG2 . 10285 1 289 . 1 1 31 31 ILE C C 13 178.287 0.300 . 1 . . . . 31 ILE C . 10285 1 290 . 1 1 31 31 ILE CA C 13 64.416 0.300 . 1 . . . . 31 ILE CA . 10285 1 291 . 1 1 31 31 ILE CB C 13 37.777 0.300 . 1 . . . . 31 ILE CB . 10285 1 292 . 1 1 31 31 ILE CD1 C 13 12.797 0.300 . 1 . . . . 31 ILE CD1 . 10285 1 293 . 1 1 31 31 ILE CG1 C 13 28.431 0.300 . 1 . . . . 31 ILE CG1 . 10285 1 294 . 1 1 31 31 ILE CG2 C 13 17.994 0.300 . 1 . . . . 31 ILE CG2 . 10285 1 295 . 1 1 31 31 ILE N N 15 118.947 0.300 . 1 . . . . 31 ILE N . 10285 1 296 . 1 1 32 32 LEU H H 1 8.126 0.030 . 1 . . . . 32 LEU H . 10285 1 297 . 1 1 32 32 LEU HA H 1 3.418 0.030 . 1 . . . . 32 LEU HA . 10285 1 298 . 1 1 32 32 LEU HB2 H 1 -0.746 0.030 . 2 . . . . 32 LEU HB2 . 10285 1 299 . 1 1 32 32 LEU HB3 H 1 0.735 0.030 . 2 . . . . 32 LEU HB3 . 10285 1 300 . 1 1 32 32 LEU HD11 H 1 -0.316 0.030 . 1 . . . . 32 LEU HD1 . 10285 1 301 . 1 1 32 32 LEU HD12 H 1 -0.316 0.030 . 1 . . . . 32 LEU HD1 . 10285 1 302 . 1 1 32 32 LEU HD13 H 1 -0.316 0.030 . 1 . . . . 32 LEU HD1 . 10285 1 303 . 1 1 32 32 LEU HD21 H 1 0.425 0.030 . 1 . . . . 32 LEU HD2 . 10285 1 304 . 1 1 32 32 LEU HD22 H 1 0.425 0.030 . 1 . . . . 32 LEU HD2 . 10285 1 305 . 1 1 32 32 LEU HD23 H 1 0.425 0.030 . 1 . . . . 32 LEU HD2 . 10285 1 306 . 1 1 32 32 LEU HG H 1 1.215 0.030 . 1 . . . . 32 LEU HG . 10285 1 307 . 1 1 32 32 LEU C C 13 178.311 0.300 . 1 . . . . 32 LEU C . 10285 1 308 . 1 1 32 32 LEU CA C 13 58.497 0.300 . 1 . . . . 32 LEU CA . 10285 1 309 . 1 1 32 32 LEU CB C 13 38.146 0.300 . 1 . . . . 32 LEU CB . 10285 1 310 . 1 1 32 32 LEU CD1 C 13 24.118 0.300 . 2 . . . . 32 LEU CD1 . 10285 1 311 . 1 1 32 32 LEU CD2 C 13 22.810 0.300 . 2 . . . . 32 LEU CD2 . 10285 1 312 . 1 1 32 32 LEU CG C 13 25.866 0.300 . 1 . . . . 32 LEU CG . 10285 1 313 . 1 1 32 32 LEU N N 15 120.437 0.300 . 1 . . . . 32 LEU N . 10285 1 314 . 1 1 33 33 TYR H H 1 8.312 0.030 . 1 . . . . 33 TYR H . 10285 1 315 . 1 1 33 33 TYR HA H 1 4.358 0.030 . 1 . . . . 33 TYR HA . 10285 1 316 . 1 1 33 33 TYR HB2 H 1 3.024 0.030 . 1 . . . . 33 TYR HB2 . 10285 1 317 . 1 1 33 33 TYR HB3 H 1 3.024 0.030 . 1 . . . . 33 TYR HB3 . 10285 1 318 . 1 1 33 33 TYR HD1 H 1 7.116 0.030 . 1 . . . . 33 TYR HD1 . 10285 1 319 . 1 1 33 33 TYR HD2 H 1 7.116 0.030 . 1 . . . . 33 TYR HD2 . 10285 1 320 . 1 1 33 33 TYR HE1 H 1 6.701 0.030 . 1 . . . . 33 TYR HE1 . 10285 1 321 . 1 1 33 33 TYR HE2 H 1 6.701 0.030 . 1 . . . . 33 TYR HE2 . 10285 1 322 . 1 1 33 33 TYR C C 13 178.214 0.300 . 1 . . . . 33 TYR C . 10285 1 323 . 1 1 33 33 TYR CA C 13 62.645 0.300 . 1 . . . . 33 TYR CA . 10285 1 324 . 1 1 33 33 TYR CB C 13 37.807 0.300 . 1 . . . . 33 TYR CB . 10285 1 325 . 1 1 33 33 TYR CD1 C 13 132.780 0.300 . 1 . . . . 33 TYR CD1 . 10285 1 326 . 1 1 33 33 TYR CD2 C 13 132.780 0.300 . 1 . . . . 33 TYR CD2 . 10285 1 327 . 1 1 33 33 TYR CE1 C 13 118.201 0.300 . 1 . . . . 33 TYR CE1 . 10285 1 328 . 1 1 33 33 TYR CE2 C 13 118.201 0.300 . 1 . . . . 33 TYR CE2 . 10285 1 329 . 1 1 33 33 TYR N N 15 117.248 0.300 . 1 . . . . 33 TYR N . 10285 1 330 . 1 1 34 34 GLN H H 1 7.750 0.030 . 1 . . . . 34 GLN H . 10285 1 331 . 1 1 34 34 GLN HA H 1 3.967 0.030 . 1 . . . . 34 GLN HA . 10285 1 332 . 1 1 34 34 GLN HB2 H 1 2.176 0.030 . 2 . . . . 34 GLN HB2 . 10285 1 333 . 1 1 34 34 GLN HB3 H 1 2.362 0.030 . 2 . . . . 34 GLN HB3 . 10285 1 334 . 1 1 34 34 GLN HE21 H 1 7.631 0.030 . 2 . . . . 34 GLN HE21 . 10285 1 335 . 1 1 34 34 GLN HE22 H 1 6.815 0.030 . 2 . . . . 34 GLN HE22 . 10285 1 336 . 1 1 34 34 GLN HG2 H 1 2.642 0.030 . 2 . . . . 34 GLN HG2 . 10285 1 337 . 1 1 34 34 GLN HG3 H 1 2.514 0.030 . 2 . . . . 34 GLN HG3 . 10285 1 338 . 1 1 34 34 GLN C C 13 180.065 0.300 . 1 . . . . 34 GLN C . 10285 1 339 . 1 1 34 34 GLN CA C 13 59.143 0.300 . 1 . . . . 34 GLN CA . 10285 1 340 . 1 1 34 34 GLN CB C 13 27.781 0.300 . 1 . . . . 34 GLN CB . 10285 1 341 . 1 1 34 34 GLN CG C 13 33.770 0.300 . 1 . . . . 34 GLN CG . 10285 1 342 . 1 1 34 34 GLN N N 15 117.509 0.300 . 1 . . . . 34 GLN N . 10285 1 343 . 1 1 34 34 GLN NE2 N 15 112.016 0.300 . 1 . . . . 34 GLN NE2 . 10285 1 344 . 1 1 35 35 LYS H H 1 8.381 0.030 . 1 . . . . 35 LYS H . 10285 1 345 . 1 1 35 35 LYS HA H 1 4.132 0.030 . 1 . . . . 35 LYS HA . 10285 1 346 . 1 1 35 35 LYS HB2 H 1 2.043 0.030 . 2 . . . . 35 LYS HB2 . 10285 1 347 . 1 1 35 35 LYS HB3 H 1 2.444 0.030 . 2 . . . . 35 LYS HB3 . 10285 1 348 . 1 1 35 35 LYS HD2 H 1 1.517 0.030 . 2 . . . . 35 LYS HD2 . 10285 1 349 . 1 1 35 35 LYS HD3 H 1 1.716 0.030 . 2 . . . . 35 LYS HD3 . 10285 1 350 . 1 1 35 35 LYS HE2 H 1 2.738 0.030 . 1 . . . . 35 LYS HE2 . 10285 1 351 . 1 1 35 35 LYS HE3 H 1 2.738 0.030 . 1 . . . . 35 LYS HE3 . 10285 1 352 . 1 1 35 35 LYS HG2 H 1 1.929 0.030 . 2 . . . . 35 LYS HG2 . 10285 1 353 . 1 1 35 35 LYS HG3 H 1 1.348 0.030 . 2 . . . . 35 LYS HG3 . 10285 1 354 . 1 1 35 35 LYS C C 13 179.456 0.300 . 1 . . . . 35 LYS C . 10285 1 355 . 1 1 35 35 LYS CA C 13 57.839 0.300 . 1 . . . . 35 LYS CA . 10285 1 356 . 1 1 35 35 LYS CB C 13 31.487 0.300 . 1 . . . . 35 LYS CB . 10285 1 357 . 1 1 35 35 LYS CD C 13 28.003 0.300 . 1 . . . . 35 LYS CD . 10285 1 358 . 1 1 35 35 LYS CE C 13 42.355 0.300 . 1 . . . . 35 LYS CE . 10285 1 359 . 1 1 35 35 LYS CG C 13 24.931 0.300 . 1 . . . . 35 LYS CG . 10285 1 360 . 1 1 35 35 LYS N N 15 117.671 0.300 . 1 . . . . 35 LYS N . 10285 1 361 . 1 1 36 36 TYR H H 1 9.036 0.030 . 1 . . . . 36 TYR H . 10285 1 362 . 1 1 36 36 TYR HA H 1 4.164 0.030 . 1 . . . . 36 TYR HA . 10285 1 363 . 1 1 36 36 TYR HB2 H 1 3.030 0.030 . 2 . . . . 36 TYR HB2 . 10285 1 364 . 1 1 36 36 TYR HB3 H 1 3.293 0.030 . 2 . . . . 36 TYR HB3 . 10285 1 365 . 1 1 36 36 TYR HD1 H 1 6.783 0.030 . 1 . . . . 36 TYR HD1 . 10285 1 366 . 1 1 36 36 TYR HD2 H 1 6.783 0.030 . 1 . . . . 36 TYR HD2 . 10285 1 367 . 1 1 36 36 TYR HE1 H 1 6.706 0.030 . 1 . . . . 36 TYR HE1 . 10285 1 368 . 1 1 36 36 TYR HE2 H 1 6.706 0.030 . 1 . . . . 36 TYR HE2 . 10285 1 369 . 1 1 36 36 TYR C C 13 176.630 0.300 . 1 . . . . 36 TYR C . 10285 1 370 . 1 1 36 36 TYR CA C 13 61.726 0.300 . 1 . . . . 36 TYR CA . 10285 1 371 . 1 1 36 36 TYR CB C 13 38.579 0.300 . 1 . . . . 36 TYR CB . 10285 1 372 . 1 1 36 36 TYR CD1 C 13 132.857 0.300 . 1 . . . . 36 TYR CD1 . 10285 1 373 . 1 1 36 36 TYR CD2 C 13 132.857 0.300 . 1 . . . . 36 TYR CD2 . 10285 1 374 . 1 1 36 36 TYR CE1 C 13 118.027 0.300 . 1 . . . . 36 TYR CE1 . 10285 1 375 . 1 1 36 36 TYR CE2 C 13 118.027 0.300 . 1 . . . . 36 TYR CE2 . 10285 1 376 . 1 1 36 36 TYR N N 15 124.434 0.300 . 1 . . . . 36 TYR N . 10285 1 377 . 1 1 37 37 LEU H H 1 7.848 0.030 . 1 . . . . 37 LEU H . 10285 1 378 . 1 1 37 37 LEU HA H 1 3.918 0.030 . 1 . . . . 37 LEU HA . 10285 1 379 . 1 1 37 37 LEU HB2 H 1 1.460 0.030 . 2 . . . . 37 LEU HB2 . 10285 1 380 . 1 1 37 37 LEU HB3 H 1 1.825 0.030 . 2 . . . . 37 LEU HB3 . 10285 1 381 . 1 1 37 37 LEU HD11 H 1 0.865 0.030 . 1 . . . . 37 LEU HD1 . 10285 1 382 . 1 1 37 37 LEU HD12 H 1 0.865 0.030 . 1 . . . . 37 LEU HD1 . 10285 1 383 . 1 1 37 37 LEU HD13 H 1 0.865 0.030 . 1 . . . . 37 LEU HD1 . 10285 1 384 . 1 1 37 37 LEU HD21 H 1 0.885 0.030 . 1 . . . . 37 LEU HD2 . 10285 1 385 . 1 1 37 37 LEU HD22 H 1 0.885 0.030 . 1 . . . . 37 LEU HD2 . 10285 1 386 . 1 1 37 37 LEU HD23 H 1 0.885 0.030 . 1 . . . . 37 LEU HD2 . 10285 1 387 . 1 1 37 37 LEU HG H 1 1.717 0.030 . 1 . . . . 37 LEU HG . 10285 1 388 . 1 1 37 37 LEU C C 13 179.334 0.300 . 1 . . . . 37 LEU C . 10285 1 389 . 1 1 37 37 LEU CA C 13 56.827 0.300 . 1 . . . . 37 LEU CA . 10285 1 390 . 1 1 37 37 LEU CB C 13 42.069 0.300 . 1 . . . . 37 LEU CB . 10285 1 391 . 1 1 37 37 LEU CD1 C 13 25.304 0.300 . 2 . . . . 37 LEU CD1 . 10285 1 392 . 1 1 37 37 LEU CD2 C 13 22.837 0.300 . 2 . . . . 37 LEU CD2 . 10285 1 393 . 1 1 37 37 LEU CG C 13 26.572 0.300 . 1 . . . . 37 LEU CG . 10285 1 394 . 1 1 37 37 LEU N N 15 116.192 0.300 . 1 . . . . 37 LEU N . 10285 1 395 . 1 1 38 38 LEU H H 1 7.230 0.030 . 1 . . . . 38 LEU H . 10285 1 396 . 1 1 38 38 LEU HA H 1 4.150 0.030 . 1 . . . . 38 LEU HA . 10285 1 397 . 1 1 38 38 LEU HB2 H 1 1.584 0.030 . 2 . . . . 38 LEU HB2 . 10285 1 398 . 1 1 38 38 LEU HB3 H 1 1.951 0.030 . 2 . . . . 38 LEU HB3 . 10285 1 399 . 1 1 38 38 LEU HD11 H 1 0.937 0.030 . 1 . . . . 38 LEU HD1 . 10285 1 400 . 1 1 38 38 LEU HD12 H 1 0.937 0.030 . 1 . . . . 38 LEU HD1 . 10285 1 401 . 1 1 38 38 LEU HD13 H 1 0.937 0.030 . 1 . . . . 38 LEU HD1 . 10285 1 402 . 1 1 38 38 LEU HD21 H 1 0.865 0.030 . 1 . . . . 38 LEU HD2 . 10285 1 403 . 1 1 38 38 LEU HD22 H 1 0.865 0.030 . 1 . . . . 38 LEU HD2 . 10285 1 404 . 1 1 38 38 LEU HD23 H 1 0.865 0.030 . 1 . . . . 38 LEU HD2 . 10285 1 405 . 1 1 38 38 LEU HG H 1 1.827 0.030 . 1 . . . . 38 LEU HG . 10285 1 406 . 1 1 38 38 LEU C C 13 178.116 0.300 . 1 . . . . 38 LEU C . 10285 1 407 . 1 1 38 38 LEU CA C 13 56.915 0.300 . 1 . . . . 38 LEU CA . 10285 1 408 . 1 1 38 38 LEU CB C 13 42.336 0.300 . 1 . . . . 38 LEU CB . 10285 1 409 . 1 1 38 38 LEU CD1 C 13 25.319 0.300 . 2 . . . . 38 LEU CD1 . 10285 1 410 . 1 1 38 38 LEU CD2 C 13 22.899 0.300 . 2 . . . . 38 LEU CD2 . 10285 1 411 . 1 1 38 38 LEU CG C 13 26.456 0.300 . 1 . . . . 38 LEU CG . 10285 1 412 . 1 1 38 38 LEU N N 15 118.422 0.300 . 1 . . . . 38 LEU N . 10285 1 413 . 1 1 39 39 ASP H H 1 7.543 0.030 . 1 . . . . 39 ASP H . 10285 1 414 . 1 1 39 39 ASP HA H 1 4.364 0.030 . 1 . . . . 39 ASP HA . 10285 1 415 . 1 1 39 39 ASP HB2 H 1 2.629 0.030 . 1 . . . . 39 ASP HB2 . 10285 1 416 . 1 1 39 39 ASP HB3 H 1 2.629 0.030 . 1 . . . . 39 ASP HB3 . 10285 1 417 . 1 1 39 39 ASP C C 13 174.778 0.300 . 1 . . . . 39 ASP C . 10285 1 418 . 1 1 39 39 ASP CA C 13 54.731 0.300 . 1 . . . . 39 ASP CA . 10285 1 419 . 1 1 39 39 ASP CB C 13 41.134 0.300 . 1 . . . . 39 ASP CB . 10285 1 420 . 1 1 39 39 ASP N N 15 117.417 0.300 . 1 . . . . 39 ASP N . 10285 1 421 . 1 1 40 40 SER H H 1 8.240 0.030 . 1 . . . . 40 SER H . 10285 1 422 . 1 1 40 40 SER HA H 1 3.984 0.030 . 1 . . . . 40 SER HA . 10285 1 423 . 1 1 40 40 SER HB2 H 1 3.221 0.030 . 1 . . . . 40 SER HB2 . 10285 1 424 . 1 1 40 40 SER HB3 H 1 3.221 0.030 . 1 . . . . 40 SER HB3 . 10285 1 425 . 1 1 40 40 SER C C 13 174.169 0.300 . 1 . . . . 40 SER C . 10285 1 426 . 1 1 40 40 SER CA C 13 58.825 0.300 . 1 . . . . 40 SER CA . 10285 1 427 . 1 1 40 40 SER CB C 13 63.964 0.300 . 1 . . . . 40 SER CB . 10285 1 428 . 1 1 40 40 SER N N 15 119.077 0.300 . 1 . . . . 40 SER N . 10285 1 429 . 1 1 41 41 ASN H H 1 8.711 0.030 . 1 . . . . 41 ASN H . 10285 1 430 . 1 1 41 41 ASN HA H 1 5.007 0.030 . 1 . . . . 41 ASN HA . 10285 1 431 . 1 1 41 41 ASN HB2 H 1 2.376 0.030 . 2 . . . . 41 ASN HB2 . 10285 1 432 . 1 1 41 41 ASN HB3 H 1 2.804 0.030 . 2 . . . . 41 ASN HB3 . 10285 1 433 . 1 1 41 41 ASN HD21 H 1 7.626 0.030 . 2 . . . . 41 ASN HD21 . 10285 1 434 . 1 1 41 41 ASN HD22 H 1 6.690 0.030 . 2 . . . . 41 ASN HD22 . 10285 1 435 . 1 1 41 41 ASN C C 13 171.078 0.300 . 1 . . . . 41 ASN C . 10285 1 436 . 1 1 41 41 ASN CA C 13 51.291 0.300 . 1 . . . . 41 ASN CA . 10285 1 437 . 1 1 41 41 ASN CB C 13 39.815 0.300 . 1 . . . . 41 ASN CB . 10285 1 438 . 1 1 41 41 ASN N N 15 119.546 0.300 . 1 . . . . 41 ASN N . 10285 1 439 . 1 1 41 41 ASN ND2 N 15 112.754 0.300 . 1 . . . . 41 ASN ND2 . 10285 1 440 . 1 1 42 42 PRO HA H 1 4.408 0.030 . 1 . . . . 42 PRO HA . 10285 1 441 . 1 1 42 42 PRO HB2 H 1 1.568 0.030 . 2 . . . . 42 PRO HB2 . 10285 1 442 . 1 1 42 42 PRO HB3 H 1 1.841 0.030 . 2 . . . . 42 PRO HB3 . 10285 1 443 . 1 1 42 42 PRO HD2 H 1 3.282 0.030 . 2 . . . . 42 PRO HD2 . 10285 1 444 . 1 1 42 42 PRO HD3 H 1 3.051 0.030 . 2 . . . . 42 PRO HD3 . 10285 1 445 . 1 1 42 42 PRO HG2 H 1 1.077 0.030 . 2 . . . . 42 PRO HG2 . 10285 1 446 . 1 1 42 42 PRO HG3 H 1 0.648 0.030 . 2 . . . . 42 PRO HG3 . 10285 1 447 . 1 1 42 42 PRO C C 13 177.028 0.300 . 1 . . . . 42 PRO C . 10285 1 448 . 1 1 42 42 PRO CA C 13 62.678 0.300 . 1 . . . . 42 PRO CA . 10285 1 449 . 1 1 42 42 PRO CB C 13 31.869 0.300 . 1 . . . . 42 PRO CB . 10285 1 450 . 1 1 42 42 PRO CD C 13 50.748 0.300 . 1 . . . . 42 PRO CD . 10285 1 451 . 1 1 42 42 PRO CG C 13 26.584 0.300 . 1 . . . . 42 PRO CG . 10285 1 452 . 1 1 43 43 THR H H 1 7.797 0.030 . 1 . . . . 43 THR H . 10285 1 453 . 1 1 43 43 THR HA H 1 4.205 0.030 . 1 . . . . 43 THR HA . 10285 1 454 . 1 1 43 43 THR HB H 1 4.725 0.030 . 1 . . . . 43 THR HB . 10285 1 455 . 1 1 43 43 THR HG21 H 1 1.369 0.030 . 1 . . . . 43 THR HG2 . 10285 1 456 . 1 1 43 43 THR HG22 H 1 1.369 0.030 . 1 . . . . 43 THR HG2 . 10285 1 457 . 1 1 43 43 THR HG23 H 1 1.369 0.030 . 1 . . . . 43 THR HG2 . 10285 1 458 . 1 1 43 43 THR C C 13 174.729 0.300 . 1 . . . . 43 THR C . 10285 1 459 . 1 1 43 43 THR CA C 13 60.690 0.300 . 1 . . . . 43 THR CA . 10285 1 460 . 1 1 43 43 THR CB C 13 71.138 0.300 . 1 . . . . 43 THR CB . 10285 1 461 . 1 1 43 43 THR CG2 C 13 21.887 0.300 . 1 . . . . 43 THR CG2 . 10285 1 462 . 1 1 43 43 THR N N 15 111.399 0.300 . 1 . . . . 43 THR N . 10285 1 463 . 1 1 44 44 ARG H H 1 8.718 0.030 . 1 . . . . 44 ARG H . 10285 1 464 . 1 1 44 44 ARG HA H 1 3.863 0.030 . 1 . . . . 44 ARG HA . 10285 1 465 . 1 1 44 44 ARG HB2 H 1 1.894 0.030 . 2 . . . . 44 ARG HB2 . 10285 1 466 . 1 1 44 44 ARG HB3 H 1 1.845 0.030 . 2 . . . . 44 ARG HB3 . 10285 1 467 . 1 1 44 44 ARG HD2 H 1 3.186 0.030 . 1 . . . . 44 ARG HD2 . 10285 1 468 . 1 1 44 44 ARG HD3 H 1 3.186 0.030 . 1 . . . . 44 ARG HD3 . 10285 1 469 . 1 1 44 44 ARG HG2 H 1 1.697 0.030 . 2 . . . . 44 ARG HG2 . 10285 1 470 . 1 1 44 44 ARG HG3 H 1 1.637 0.030 . 2 . . . . 44 ARG HG3 . 10285 1 471 . 1 1 44 44 ARG C C 13 178.384 0.300 . 1 . . . . 44 ARG C . 10285 1 472 . 1 1 44 44 ARG CA C 13 60.014 0.300 . 1 . . . . 44 ARG CA . 10285 1 473 . 1 1 44 44 ARG CB C 13 29.512 0.300 . 1 . . . . 44 ARG CB . 10285 1 474 . 1 1 44 44 ARG CD C 13 43.361 0.300 . 1 . . . . 44 ARG CD . 10285 1 475 . 1 1 44 44 ARG CG C 13 27.204 0.300 . 1 . . . . 44 ARG CG . 10285 1 476 . 1 1 44 44 ARG N N 15 120.640 0.300 . 1 . . . . 44 ARG N . 10285 1 477 . 1 1 45 45 LYS H H 1 8.142 0.030 . 1 . . . . 45 LYS H . 10285 1 478 . 1 1 45 45 LYS HA H 1 4.070 0.030 . 1 . . . . 45 LYS HA . 10285 1 479 . 1 1 45 45 LYS HB2 H 1 1.780 0.030 . 2 . . . . 45 LYS HB2 . 10285 1 480 . 1 1 45 45 LYS HB3 H 1 1.668 0.030 . 2 . . . . 45 LYS HB3 . 10285 1 481 . 1 1 45 45 LYS HD2 H 1 1.658 0.030 . 1 . . . . 45 LYS HD2 . 10285 1 482 . 1 1 45 45 LYS HD3 H 1 1.658 0.030 . 1 . . . . 45 LYS HD3 . 10285 1 483 . 1 1 45 45 LYS HE2 H 1 2.963 0.030 . 1 . . . . 45 LYS HE2 . 10285 1 484 . 1 1 45 45 LYS HE3 H 1 2.963 0.030 . 1 . . . . 45 LYS HE3 . 10285 1 485 . 1 1 45 45 LYS HG2 H 1 1.342 0.030 . 2 . . . . 45 LYS HG2 . 10285 1 486 . 1 1 45 45 LYS HG3 H 1 1.465 0.030 . 2 . . . . 45 LYS HG3 . 10285 1 487 . 1 1 45 45 LYS C C 13 179.334 0.300 . 1 . . . . 45 LYS C . 10285 1 488 . 1 1 45 45 LYS CA C 13 59.170 0.300 . 1 . . . . 45 LYS CA . 10285 1 489 . 1 1 45 45 LYS CB C 13 32.457 0.300 . 1 . . . . 45 LYS CB . 10285 1 490 . 1 1 45 45 LYS CD C 13 29.221 0.300 . 1 . . . . 45 LYS CD . 10285 1 491 . 1 1 45 45 LYS CE C 13 42.231 0.300 . 1 . . . . 45 LYS CE . 10285 1 492 . 1 1 45 45 LYS CG C 13 24.915 0.300 . 1 . . . . 45 LYS CG . 10285 1 493 . 1 1 45 45 LYS N N 15 117.851 0.300 . 1 . . . . 45 LYS N . 10285 1 494 . 1 1 46 46 MET H H 1 7.560 0.030 . 1 . . . . 46 MET H . 10285 1 495 . 1 1 46 46 MET HA H 1 4.329 0.030 . 1 . . . . 46 MET HA . 10285 1 496 . 1 1 46 46 MET HB2 H 1 2.606 0.030 . 2 . . . . 46 MET HB2 . 10285 1 497 . 1 1 46 46 MET HB3 H 1 2.551 0.030 . 2 . . . . 46 MET HB3 . 10285 1 498 . 1 1 46 46 MET HE1 H 1 2.089 0.030 . 1 . . . . 46 MET HE . 10285 1 499 . 1 1 46 46 MET HE2 H 1 2.089 0.030 . 1 . . . . 46 MET HE . 10285 1 500 . 1 1 46 46 MET HE3 H 1 2.089 0.030 . 1 . . . . 46 MET HE . 10285 1 501 . 1 1 46 46 MET HG2 H 1 2.063 0.030 . 1 . . . . 46 MET HG2 . 10285 1 502 . 1 1 46 46 MET HG3 H 1 2.063 0.030 . 1 . . . . 46 MET HG3 . 10285 1 503 . 1 1 46 46 MET C C 13 178.774 0.300 . 1 . . . . 46 MET C . 10285 1 504 . 1 1 46 46 MET CA C 13 57.799 0.300 . 1 . . . . 46 MET CA . 10285 1 505 . 1 1 46 46 MET CB C 13 32.210 0.300 . 1 . . . . 46 MET CB . 10285 1 506 . 1 1 46 46 MET CE C 13 16.838 0.300 . 1 . . . . 46 MET CE . 10285 1 507 . 1 1 46 46 MET CG C 13 32.215 0.300 . 1 . . . . 46 MET CG . 10285 1 508 . 1 1 46 46 MET N N 15 119.433 0.300 . 1 . . . . 46 MET N . 10285 1 509 . 1 1 47 47 LEU H H 1 8.624 0.030 . 1 . . . . 47 LEU H . 10285 1 510 . 1 1 47 47 LEU HA H 1 3.758 0.030 . 1 . . . . 47 LEU HA . 10285 1 511 . 1 1 47 47 LEU HB2 H 1 1.247 0.030 . 2 . . . . 47 LEU HB2 . 10285 1 512 . 1 1 47 47 LEU HB3 H 1 1.958 0.030 . 2 . . . . 47 LEU HB3 . 10285 1 513 . 1 1 47 47 LEU HD11 H 1 0.710 0.030 . 1 . . . . 47 LEU HD1 . 10285 1 514 . 1 1 47 47 LEU HD12 H 1 0.710 0.030 . 1 . . . . 47 LEU HD1 . 10285 1 515 . 1 1 47 47 LEU HD13 H 1 0.710 0.030 . 1 . . . . 47 LEU HD1 . 10285 1 516 . 1 1 47 47 LEU HD21 H 1 0.425 0.030 . 1 . . . . 47 LEU HD2 . 10285 1 517 . 1 1 47 47 LEU HD22 H 1 0.425 0.030 . 1 . . . . 47 LEU HD2 . 10285 1 518 . 1 1 47 47 LEU HD23 H 1 0.425 0.030 . 1 . . . . 47 LEU HD2 . 10285 1 519 . 1 1 47 47 LEU HG H 1 1.356 0.030 . 1 . . . . 47 LEU HG . 10285 1 520 . 1 1 47 47 LEU C C 13 178.701 0.300 . 1 . . . . 47 LEU C . 10285 1 521 . 1 1 47 47 LEU CA C 13 58.648 0.300 . 1 . . . . 47 LEU CA . 10285 1 522 . 1 1 47 47 LEU CB C 13 42.248 0.300 . 1 . . . . 47 LEU CB . 10285 1 523 . 1 1 47 47 LEU CD1 C 13 26.017 0.300 . 2 . . . . 47 LEU CD1 . 10285 1 524 . 1 1 47 47 LEU CD2 C 13 24.656 0.300 . 2 . . . . 47 LEU CD2 . 10285 1 525 . 1 1 47 47 LEU CG C 13 26.984 0.300 . 1 . . . . 47 LEU CG . 10285 1 526 . 1 1 47 47 LEU N N 15 120.980 0.300 . 1 . . . . 47 LEU N . 10285 1 527 . 1 1 48 48 ASP H H 1 7.891 0.030 . 1 . . . . 48 ASP H . 10285 1 528 . 1 1 48 48 ASP HA H 1 4.275 0.030 . 1 . . . . 48 ASP HA . 10285 1 529 . 1 1 48 48 ASP HB2 H 1 2.633 0.030 . 2 . . . . 48 ASP HB2 . 10285 1 530 . 1 1 48 48 ASP HB3 H 1 2.824 0.030 . 2 . . . . 48 ASP HB3 . 10285 1 531 . 1 1 48 48 ASP C C 13 178.798 0.300 . 1 . . . . 48 ASP C . 10285 1 532 . 1 1 48 48 ASP CA C 13 57.662 0.300 . 1 . . . . 48 ASP CA . 10285 1 533 . 1 1 48 48 ASP CB C 13 40.347 0.300 . 1 . . . . 48 ASP CB . 10285 1 534 . 1 1 48 48 ASP N N 15 119.025 0.300 . 1 . . . . 48 ASP N . 10285 1 535 . 1 1 49 49 HIS H H 1 7.760 0.030 . 1 . . . . 49 HIS H . 10285 1 536 . 1 1 49 49 HIS HA H 1 4.390 0.030 . 1 . . . . 49 HIS HA . 10285 1 537 . 1 1 49 49 HIS HB2 H 1 3.400 0.030 . 2 . . . . 49 HIS HB2 . 10285 1 538 . 1 1 49 49 HIS HB3 H 1 3.261 0.030 . 2 . . . . 49 HIS HB3 . 10285 1 539 . 1 1 49 49 HIS HD2 H 1 6.968 0.030 . 1 . . . . 49 HIS HD2 . 10285 1 540 . 1 1 49 49 HIS C C 13 178.287 0.300 . 1 . . . . 49 HIS C . 10285 1 541 . 1 1 49 49 HIS CA C 13 59.930 0.300 . 1 . . . . 49 HIS CA . 10285 1 542 . 1 1 49 49 HIS CB C 13 30.348 0.300 . 1 . . . . 49 HIS CB . 10285 1 543 . 1 1 49 49 HIS CD2 C 13 119.989 0.300 . 1 . . . . 49 HIS CD2 . 10285 1 544 . 1 1 49 49 HIS N N 15 120.629 0.300 . 1 . . . . 49 HIS N . 10285 1 545 . 1 1 50 50 ILE H H 1 8.934 0.030 . 1 . . . . 50 ILE H . 10285 1 546 . 1 1 50 50 ILE HA H 1 3.619 0.030 . 1 . . . . 50 ILE HA . 10285 1 547 . 1 1 50 50 ILE HB H 1 1.871 0.030 . 1 . . . . 50 ILE HB . 10285 1 548 . 1 1 50 50 ILE HD11 H 1 0.830 0.030 . 1 . . . . 50 ILE HD1 . 10285 1 549 . 1 1 50 50 ILE HD12 H 1 0.830 0.030 . 1 . . . . 50 ILE HD1 . 10285 1 550 . 1 1 50 50 ILE HD13 H 1 0.830 0.030 . 1 . . . . 50 ILE HD1 . 10285 1 551 . 1 1 50 50 ILE HG12 H 1 0.819 0.030 . 2 . . . . 50 ILE HG12 . 10285 1 552 . 1 1 50 50 ILE HG13 H 1 2.136 0.030 . 2 . . . . 50 ILE HG13 . 10285 1 553 . 1 1 50 50 ILE HG21 H 1 0.873 0.030 . 1 . . . . 50 ILE HG2 . 10285 1 554 . 1 1 50 50 ILE HG22 H 1 0.873 0.030 . 1 . . . . 50 ILE HG2 . 10285 1 555 . 1 1 50 50 ILE HG23 H 1 0.873 0.030 . 1 . . . . 50 ILE HG2 . 10285 1 556 . 1 1 50 50 ILE C C 13 177.410 0.300 . 1 . . . . 50 ILE C . 10285 1 557 . 1 1 50 50 ILE CA C 13 65.779 0.300 . 1 . . . . 50 ILE CA . 10285 1 558 . 1 1 50 50 ILE CB C 13 38.622 0.300 . 1 . . . . 50 ILE CB . 10285 1 559 . 1 1 50 50 ILE CD1 C 13 14.297 0.300 . 1 . . . . 50 ILE CD1 . 10285 1 560 . 1 1 50 50 ILE CG1 C 13 29.917 0.300 . 1 . . . . 50 ILE CG1 . 10285 1 561 . 1 1 50 50 ILE CG2 C 13 18.361 0.300 . 1 . . . . 50 ILE CG2 . 10285 1 562 . 1 1 50 50 ILE N N 15 120.913 0.300 . 1 . . . . 50 ILE N . 10285 1 563 . 1 1 51 51 ALA H H 1 8.423 0.030 . 1 . . . . 51 ALA H . 10285 1 564 . 1 1 51 51 ALA HA H 1 3.859 0.030 . 1 . . . . 51 ALA HA . 10285 1 565 . 1 1 51 51 ALA HB1 H 1 1.545 0.030 . 1 . . . . 51 ALA HB . 10285 1 566 . 1 1 51 51 ALA HB2 H 1 1.545 0.030 . 1 . . . . 51 ALA HB . 10285 1 567 . 1 1 51 51 ALA HB3 H 1 1.545 0.030 . 1 . . . . 51 ALA HB . 10285 1 568 . 1 1 51 51 ALA C C 13 179.213 0.300 . 1 . . . . 51 ALA C . 10285 1 569 . 1 1 51 51 ALA CA C 13 56.348 0.300 . 1 . . . . 51 ALA CA . 10285 1 570 . 1 1 51 51 ALA CB C 13 17.292 0.300 . 1 . . . . 51 ALA CB . 10285 1 571 . 1 1 51 51 ALA N N 15 120.695 0.300 . 1 . . . . 51 ALA N . 10285 1 572 . 1 1 52 52 HIS H H 1 7.735 0.030 . 1 . . . . 52 HIS H . 10285 1 573 . 1 1 52 52 HIS HA H 1 4.273 0.030 . 1 . . . . 52 HIS HA . 10285 1 574 . 1 1 52 52 HIS HB2 H 1 3.243 0.030 . 1 . . . . 52 HIS HB2 . 10285 1 575 . 1 1 52 52 HIS HB3 H 1 3.243 0.030 . 1 . . . . 52 HIS HB3 . 10285 1 576 . 1 1 52 52 HIS HD2 H 1 7.032 0.030 . 1 . . . . 52 HIS HD2 . 10285 1 577 . 1 1 52 52 HIS C C 13 177.799 0.300 . 1 . . . . 52 HIS C . 10285 1 578 . 1 1 52 52 HIS CA C 13 59.406 0.300 . 1 . . . . 52 HIS CA . 10285 1 579 . 1 1 52 52 HIS CB C 13 29.842 0.300 . 1 . . . . 52 HIS CB . 10285 1 580 . 1 1 52 52 HIS CD2 C 13 120.206 0.300 . 1 . . . . 52 HIS CD2 . 10285 1 581 . 1 1 52 52 HIS N N 15 115.822 0.300 . 1 . . . . 52 HIS N . 10285 1 582 . 1 1 53 53 GLU H H 1 8.299 0.030 . 1 . . . . 53 GLU H . 10285 1 583 . 1 1 53 53 GLU HA H 1 3.842 0.030 . 1 . . . . 53 GLU HA . 10285 1 584 . 1 1 53 53 GLU HB2 H 1 2.062 0.030 . 2 . . . . 53 GLU HB2 . 10285 1 585 . 1 1 53 53 GLU HB3 H 1 1.995 0.030 . 2 . . . . 53 GLU HB3 . 10285 1 586 . 1 1 53 53 GLU HG2 H 1 1.992 0.030 . 2 . . . . 53 GLU HG2 . 10285 1 587 . 1 1 53 53 GLU HG3 H 1 2.218 0.030 . 2 . . . . 53 GLU HG3 . 10285 1 588 . 1 1 53 53 GLU C C 13 178.652 0.300 . 1 . . . . 53 GLU C . 10285 1 589 . 1 1 53 53 GLU CA C 13 59.434 0.300 . 1 . . . . 53 GLU CA . 10285 1 590 . 1 1 53 53 GLU CB C 13 30.204 0.300 . 1 . . . . 53 GLU CB . 10285 1 591 . 1 1 53 53 GLU CG C 13 36.201 0.300 . 1 . . . . 53 GLU CG . 10285 1 592 . 1 1 53 53 GLU N N 15 120.073 0.300 . 1 . . . . 53 GLU N . 10285 1 593 . 1 1 54 54 VAL H H 1 8.446 0.030 . 1 . . . . 54 VAL H . 10285 1 594 . 1 1 54 54 VAL HA H 1 4.150 0.030 . 1 . . . . 54 VAL HA . 10285 1 595 . 1 1 54 54 VAL HB H 1 2.037 0.030 . 1 . . . . 54 VAL HB . 10285 1 596 . 1 1 54 54 VAL HG11 H 1 0.915 0.030 . 1 . . . . 54 VAL HG1 . 10285 1 597 . 1 1 54 54 VAL HG12 H 1 0.915 0.030 . 1 . . . . 54 VAL HG1 . 10285 1 598 . 1 1 54 54 VAL HG13 H 1 0.915 0.030 . 1 . . . . 54 VAL HG1 . 10285 1 599 . 1 1 54 54 VAL HG21 H 1 0.939 0.030 . 1 . . . . 54 VAL HG2 . 10285 1 600 . 1 1 54 54 VAL HG22 H 1 0.939 0.030 . 1 . . . . 54 VAL HG2 . 10285 1 601 . 1 1 54 54 VAL HG23 H 1 0.939 0.030 . 1 . . . . 54 VAL HG2 . 10285 1 602 . 1 1 54 54 VAL C C 13 175.899 0.300 . 1 . . . . 54 VAL C . 10285 1 603 . 1 1 54 54 VAL CA C 13 62.001 0.300 . 1 . . . . 54 VAL CA . 10285 1 604 . 1 1 54 54 VAL CB C 13 33.000 0.300 . 1 . . . . 54 VAL CB . 10285 1 605 . 1 1 54 54 VAL CG1 C 13 22.069 0.300 . 2 . . . . 54 VAL CG1 . 10285 1 606 . 1 1 54 54 VAL CG2 C 13 22.038 0.300 . 2 . . . . 54 VAL CG2 . 10285 1 607 . 1 1 54 54 VAL N N 15 112.194 0.300 . 1 . . . . 54 VAL N . 10285 1 608 . 1 1 55 55 GLY H H 1 7.879 0.030 . 1 . . . . 55 GLY H . 10285 1 609 . 1 1 55 55 GLY HA2 H 1 3.975 0.030 . 2 . . . . 55 GLY HA2 . 10285 1 610 . 1 1 55 55 GLY HA3 H 1 3.814 0.030 . 2 . . . . 55 GLY HA3 . 10285 1 611 . 1 1 55 55 GLY C C 13 174.461 0.300 . 1 . . . . 55 GLY C . 10285 1 612 . 1 1 55 55 GLY CA C 13 46.551 0.300 . 1 . . . . 55 GLY CA . 10285 1 613 . 1 1 55 55 GLY N N 15 111.306 0.300 . 1 . . . . 55 GLY N . 10285 1 614 . 1 1 56 56 LEU H H 1 7.766 0.030 . 1 . . . . 56 LEU H . 10285 1 615 . 1 1 56 56 LEU HA H 1 4.825 0.030 . 1 . . . . 56 LEU HA . 10285 1 616 . 1 1 56 56 LEU HB2 H 1 1.155 0.030 . 2 . . . . 56 LEU HB2 . 10285 1 617 . 1 1 56 56 LEU HB3 H 1 1.319 0.030 . 2 . . . . 56 LEU HB3 . 10285 1 618 . 1 1 56 56 LEU HD11 H 1 0.949 0.030 . 1 . . . . 56 LEU HD1 . 10285 1 619 . 1 1 56 56 LEU HD12 H 1 0.949 0.030 . 1 . . . . 56 LEU HD1 . 10285 1 620 . 1 1 56 56 LEU HD13 H 1 0.949 0.030 . 1 . . . . 56 LEU HD1 . 10285 1 621 . 1 1 56 56 LEU HD21 H 1 0.573 0.030 . 1 . . . . 56 LEU HD2 . 10285 1 622 . 1 1 56 56 LEU HD22 H 1 0.573 0.030 . 1 . . . . 56 LEU HD2 . 10285 1 623 . 1 1 56 56 LEU HD23 H 1 0.573 0.030 . 1 . . . . 56 LEU HD2 . 10285 1 624 . 1 1 56 56 LEU HG H 1 1.334 0.030 . 1 . . . . 56 LEU HG . 10285 1 625 . 1 1 56 56 LEU C C 13 175.704 0.300 . 1 . . . . 56 LEU C . 10285 1 626 . 1 1 56 56 LEU CA C 13 52.223 0.300 . 1 . . . . 56 LEU CA . 10285 1 627 . 1 1 56 56 LEU CB C 13 47.913 0.300 . 1 . . . . 56 LEU CB . 10285 1 628 . 1 1 56 56 LEU CD1 C 13 23.722 0.300 . 2 . . . . 56 LEU CD1 . 10285 1 629 . 1 1 56 56 LEU CD2 C 13 26.899 0.300 . 2 . . . . 56 LEU CD2 . 10285 1 630 . 1 1 56 56 LEU CG C 13 26.802 0.300 . 1 . . . . 56 LEU CG . 10285 1 631 . 1 1 56 56 LEU N N 15 119.685 0.300 . 1 . . . . 56 LEU N . 10285 1 632 . 1 1 57 57 LYS H H 1 8.268 0.030 . 1 . . . . 57 LYS H . 10285 1 633 . 1 1 57 57 LYS HA H 1 4.212 0.030 . 1 . . . . 57 LYS HA . 10285 1 634 . 1 1 57 57 LYS HB2 H 1 1.680 0.030 . 2 . . . . 57 LYS HB2 . 10285 1 635 . 1 1 57 57 LYS HB3 H 1 2.080 0.030 . 2 . . . . 57 LYS HB3 . 10285 1 636 . 1 1 57 57 LYS HD2 H 1 1.747 0.030 . 2 . . . . 57 LYS HD2 . 10285 1 637 . 1 1 57 57 LYS HD3 H 1 1.696 0.030 . 2 . . . . 57 LYS HD3 . 10285 1 638 . 1 1 57 57 LYS HE2 H 1 3.016 0.030 . 1 . . . . 57 LYS HE2 . 10285 1 639 . 1 1 57 57 LYS HE3 H 1 3.016 0.030 . 1 . . . . 57 LYS HE3 . 10285 1 640 . 1 1 57 57 LYS HG2 H 1 1.525 0.030 . 2 . . . . 57 LYS HG2 . 10285 1 641 . 1 1 57 57 LYS HG3 H 1 1.622 0.030 . 2 . . . . 57 LYS HG3 . 10285 1 642 . 1 1 57 57 LYS C C 13 178.555 0.300 . 1 . . . . 57 LYS C . 10285 1 643 . 1 1 57 57 LYS CA C 13 56.375 0.300 . 1 . . . . 57 LYS CA . 10285 1 644 . 1 1 57 57 LYS CB C 13 32.750 0.300 . 1 . . . . 57 LYS CB . 10285 1 645 . 1 1 57 57 LYS CD C 13 29.035 0.300 . 1 . . . . 57 LYS CD . 10285 1 646 . 1 1 57 57 LYS CE C 13 42.221 0.300 . 1 . . . . 57 LYS CE . 10285 1 647 . 1 1 57 57 LYS CG C 13 25.770 0.300 . 1 . . . . 57 LYS CG . 10285 1 648 . 1 1 57 57 LYS N N 15 118.380 0.300 . 1 . . . . 57 LYS N . 10285 1 649 . 1 1 58 58 LYS H H 1 8.853 0.030 . 1 . . . . 58 LYS H . 10285 1 650 . 1 1 58 58 LYS HA H 1 3.670 0.030 . 1 . . . . 58 LYS HA . 10285 1 651 . 1 1 58 58 LYS HB2 H 1 1.837 0.030 . 1 . . . . 58 LYS HB2 . 10285 1 652 . 1 1 58 58 LYS HB3 H 1 1.837 0.030 . 1 . . . . 58 LYS HB3 . 10285 1 653 . 1 1 58 58 LYS HD2 H 1 1.700 0.030 . 1 . . . . 58 LYS HD2 . 10285 1 654 . 1 1 58 58 LYS HD3 H 1 1.700 0.030 . 1 . . . . 58 LYS HD3 . 10285 1 655 . 1 1 58 58 LYS HE2 H 1 2.915 0.030 . 1 . . . . 58 LYS HE2 . 10285 1 656 . 1 1 58 58 LYS HE3 H 1 2.915 0.030 . 1 . . . . 58 LYS HE3 . 10285 1 657 . 1 1 58 58 LYS HG2 H 1 1.502 0.030 . 2 . . . . 58 LYS HG2 . 10285 1 658 . 1 1 58 58 LYS HG3 H 1 1.375 0.030 . 2 . . . . 58 LYS HG3 . 10285 1 659 . 1 1 58 58 LYS C C 13 178.652 0.300 . 1 . . . . 58 LYS C . 10285 1 660 . 1 1 58 58 LYS CA C 13 61.026 0.300 . 1 . . . . 58 LYS CA . 10285 1 661 . 1 1 58 58 LYS CB C 13 31.655 0.300 . 1 . . . . 58 LYS CB . 10285 1 662 . 1 1 58 58 LYS CD C 13 29.429 0.300 . 1 . . . . 58 LYS CD . 10285 1 663 . 1 1 58 58 LYS CE C 13 41.974 0.300 . 1 . . . . 58 LYS CE . 10285 1 664 . 1 1 58 58 LYS CG C 13 25.110 0.300 . 1 . . . . 58 LYS CG . 10285 1 665 . 1 1 58 58 LYS N N 15 123.883 0.300 . 1 . . . . 58 LYS N . 10285 1 666 . 1 1 59 59 ARG H H 1 8.834 0.030 . 1 . . . . 59 ARG H . 10285 1 667 . 1 1 59 59 ARG HA H 1 4.120 0.030 . 1 . . . . 59 ARG HA . 10285 1 668 . 1 1 59 59 ARG HB2 H 1 1.941 0.030 . 2 . . . . 59 ARG HB2 . 10285 1 669 . 1 1 59 59 ARG HB3 H 1 1.760 0.030 . 2 . . . . 59 ARG HB3 . 10285 1 670 . 1 1 59 59 ARG HD2 H 1 3.275 0.030 . 2 . . . . 59 ARG HD2 . 10285 1 671 . 1 1 59 59 ARG HD3 H 1 3.166 0.030 . 2 . . . . 59 ARG HD3 . 10285 1 672 . 1 1 59 59 ARG HG2 H 1 1.699 0.030 . 1 . . . . 59 ARG HG2 . 10285 1 673 . 1 1 59 59 ARG HG3 H 1 1.699 0.030 . 1 . . . . 59 ARG HG3 . 10285 1 674 . 1 1 59 59 ARG C C 13 177.872 0.300 . 1 . . . . 59 ARG C . 10285 1 675 . 1 1 59 59 ARG CA C 13 58.851 0.300 . 1 . . . . 59 ARG CA . 10285 1 676 . 1 1 59 59 ARG CB C 13 29.832 0.300 . 1 . . . . 59 ARG CB . 10285 1 677 . 1 1 59 59 ARG CD C 13 43.011 0.300 . 1 . . . . 59 ARG CD . 10285 1 678 . 1 1 59 59 ARG CG C 13 26.934 0.300 . 1 . . . . 59 ARG CG . 10285 1 679 . 1 1 59 59 ARG N N 15 117.315 0.300 . 1 . . . . 59 ARG N . 10285 1 680 . 1 1 60 60 VAL H H 1 6.892 0.030 . 1 . . . . 60 VAL H . 10285 1 681 . 1 1 60 60 VAL HA H 1 3.677 0.030 . 1 . . . . 60 VAL HA . 10285 1 682 . 1 1 60 60 VAL HB H 1 2.335 0.030 . 1 . . . . 60 VAL HB . 10285 1 683 . 1 1 60 60 VAL HG11 H 1 0.981 0.030 . 1 . . . . 60 VAL HG1 . 10285 1 684 . 1 1 60 60 VAL HG12 H 1 0.981 0.030 . 1 . . . . 60 VAL HG1 . 10285 1 685 . 1 1 60 60 VAL HG13 H 1 0.981 0.030 . 1 . . . . 60 VAL HG1 . 10285 1 686 . 1 1 60 60 VAL HG21 H 1 1.112 0.030 . 1 . . . . 60 VAL HG2 . 10285 1 687 . 1 1 60 60 VAL HG22 H 1 1.112 0.030 . 1 . . . . 60 VAL HG2 . 10285 1 688 . 1 1 60 60 VAL HG23 H 1 1.112 0.030 . 1 . . . . 60 VAL HG2 . 10285 1 689 . 1 1 60 60 VAL C C 13 178.701 0.300 . 1 . . . . 60 VAL C . 10285 1 690 . 1 1 60 60 VAL CA C 13 65.741 0.300 . 1 . . . . 60 VAL CA . 10285 1 691 . 1 1 60 60 VAL CB C 13 31.520 0.300 . 1 . . . . 60 VAL CB . 10285 1 692 . 1 1 60 60 VAL CG1 C 13 21.511 0.300 . 2 . . . . 60 VAL CG1 . 10285 1 693 . 1 1 60 60 VAL CG2 C 13 23.023 0.300 . 2 . . . . 60 VAL CG2 . 10285 1 694 . 1 1 60 60 VAL N N 15 117.560 0.300 . 1 . . . . 60 VAL N . 10285 1 695 . 1 1 61 61 VAL H H 1 7.394 0.030 . 1 . . . . 61 VAL H . 10285 1 696 . 1 1 61 61 VAL HA H 1 3.647 0.030 . 1 . . . . 61 VAL HA . 10285 1 697 . 1 1 61 61 VAL HB H 1 2.255 0.030 . 1 . . . . 61 VAL HB . 10285 1 698 . 1 1 61 61 VAL HG11 H 1 1.160 0.030 . 1 . . . . 61 VAL HG1 . 10285 1 699 . 1 1 61 61 VAL HG12 H 1 1.160 0.030 . 1 . . . . 61 VAL HG1 . 10285 1 700 . 1 1 61 61 VAL HG13 H 1 1.160 0.030 . 1 . . . . 61 VAL HG1 . 10285 1 701 . 1 1 61 61 VAL HG21 H 1 0.899 0.030 . 1 . . . . 61 VAL HG2 . 10285 1 702 . 1 1 61 61 VAL HG22 H 1 0.899 0.030 . 1 . . . . 61 VAL HG2 . 10285 1 703 . 1 1 61 61 VAL HG23 H 1 0.899 0.030 . 1 . . . . 61 VAL HG2 . 10285 1 704 . 1 1 61 61 VAL C C 13 177.385 0.300 . 1 . . . . 61 VAL C . 10285 1 705 . 1 1 61 61 VAL CA C 13 67.232 0.300 . 1 . . . . 61 VAL CA . 10285 1 706 . 1 1 61 61 VAL CB C 13 32.125 0.300 . 1 . . . . 61 VAL CB . 10285 1 707 . 1 1 61 61 VAL CG1 C 13 22.824 0.300 . 2 . . . . 61 VAL CG1 . 10285 1 708 . 1 1 61 61 VAL CG2 C 13 24.539 0.300 . 2 . . . . 61 VAL CG2 . 10285 1 709 . 1 1 61 61 VAL N N 15 119.625 0.300 . 1 . . . . 61 VAL N . 10285 1 710 . 1 1 62 62 GLN H H 1 8.681 0.030 . 1 . . . . 62 GLN H . 10285 1 711 . 1 1 62 62 GLN HA H 1 4.047 0.030 . 1 . . . . 62 GLN HA . 10285 1 712 . 1 1 62 62 GLN HB2 H 1 2.166 0.030 . 2 . . . . 62 GLN HB2 . 10285 1 713 . 1 1 62 62 GLN HB3 H 1 2.290 0.030 . 2 . . . . 62 GLN HB3 . 10285 1 714 . 1 1 62 62 GLN HE21 H 1 6.819 0.030 . 2 . . . . 62 GLN HE21 . 10285 1 715 . 1 1 62 62 GLN HE22 H 1 7.519 0.030 . 2 . . . . 62 GLN HE22 . 10285 1 716 . 1 1 62 62 GLN HG2 H 1 2.439 0.030 . 2 . . . . 62 GLN HG2 . 10285 1 717 . 1 1 62 62 GLN HG3 H 1 2.317 0.030 . 2 . . . . 62 GLN HG3 . 10285 1 718 . 1 1 62 62 GLN C C 13 178.798 0.300 . 1 . . . . 62 GLN C . 10285 1 719 . 1 1 62 62 GLN CA C 13 60.169 0.300 . 1 . . . . 62 GLN CA . 10285 1 720 . 1 1 62 62 GLN CB C 13 28.935 0.300 . 1 . . . . 62 GLN CB . 10285 1 721 . 1 1 62 62 GLN CG C 13 33.687 0.300 . 1 . . . . 62 GLN CG . 10285 1 722 . 1 1 62 62 GLN N N 15 119.803 0.300 . 1 . . . . 62 GLN N . 10285 1 723 . 1 1 62 62 GLN NE2 N 15 111.481 0.300 . 1 . . . . 62 GLN NE2 . 10285 1 724 . 1 1 63 63 VAL H H 1 8.279 0.030 . 1 . . . . 63 VAL H . 10285 1 725 . 1 1 63 63 VAL HA H 1 3.703 0.030 . 1 . . . . 63 VAL HA . 10285 1 726 . 1 1 63 63 VAL HB H 1 2.155 0.030 . 1 . . . . 63 VAL HB . 10285 1 727 . 1 1 63 63 VAL HG11 H 1 0.974 0.030 . 1 . . . . 63 VAL HG1 . 10285 1 728 . 1 1 63 63 VAL HG12 H 1 0.974 0.030 . 1 . . . . 63 VAL HG1 . 10285 1 729 . 1 1 63 63 VAL HG13 H 1 0.974 0.030 . 1 . . . . 63 VAL HG1 . 10285 1 730 . 1 1 63 63 VAL HG21 H 1 1.096 0.030 . 1 . . . . 63 VAL HG2 . 10285 1 731 . 1 1 63 63 VAL HG22 H 1 1.096 0.030 . 1 . . . . 63 VAL HG2 . 10285 1 732 . 1 1 63 63 VAL HG23 H 1 1.096 0.030 . 1 . . . . 63 VAL HG2 . 10285 1 733 . 1 1 63 63 VAL C C 13 177.263 0.300 . 1 . . . . 63 VAL C . 10285 1 734 . 1 1 63 63 VAL CA C 13 66.384 0.300 . 1 . . . . 63 VAL CA . 10285 1 735 . 1 1 63 63 VAL CB C 13 31.983 0.300 . 1 . . . . 63 VAL CB . 10285 1 736 . 1 1 63 63 VAL CG1 C 13 21.488 0.300 . 2 . . . . 63 VAL CG1 . 10285 1 737 . 1 1 63 63 VAL CG2 C 13 23.303 0.300 . 2 . . . . 63 VAL CG2 . 10285 1 738 . 1 1 63 63 VAL N N 15 120.104 0.300 . 1 . . . . 63 VAL N . 10285 1 739 . 1 1 64 64 TRP H H 1 8.376 0.030 . 1 . . . . 64 TRP H . 10285 1 740 . 1 1 64 64 TRP HA H 1 4.015 0.030 . 1 . . . . 64 TRP HA . 10285 1 741 . 1 1 64 64 TRP HB2 H 1 3.524 0.030 . 2 . . . . 64 TRP HB2 . 10285 1 742 . 1 1 64 64 TRP HB3 H 1 3.179 0.030 . 2 . . . . 64 TRP HB3 . 10285 1 743 . 1 1 64 64 TRP HD1 H 1 7.013 0.030 . 1 . . . . 64 TRP HD1 . 10285 1 744 . 1 1 64 64 TRP HE1 H 1 9.260 0.030 . 1 . . . . 64 TRP HE1 . 10285 1 745 . 1 1 64 64 TRP HE3 H 1 6.871 0.030 . 1 . . . . 64 TRP HE3 . 10285 1 746 . 1 1 64 64 TRP HH2 H 1 6.149 0.030 . 1 . . . . 64 TRP HH2 . 10285 1 747 . 1 1 64 64 TRP HZ2 H 1 6.512 0.030 . 1 . . . . 64 TRP HZ2 . 10285 1 748 . 1 1 64 64 TRP HZ3 H 1 5.571 0.030 . 1 . . . . 64 TRP HZ3 . 10285 1 749 . 1 1 64 64 TRP C C 13 180.309 0.300 . 1 . . . . 64 TRP C . 10285 1 750 . 1 1 64 64 TRP CA C 13 63.421 0.300 . 1 . . . . 64 TRP CA . 10285 1 751 . 1 1 64 64 TRP CB C 13 28.382 0.300 . 1 . . . . 64 TRP CB . 10285 1 752 . 1 1 64 64 TRP CD1 C 13 126.395 0.300 . 1 . . . . 64 TRP CD1 . 10285 1 753 . 1 1 64 64 TRP CE3 C 13 120.223 0.300 . 1 . . . . 64 TRP CE3 . 10285 1 754 . 1 1 64 64 TRP CH2 C 13 123.102 0.300 . 1 . . . . 64 TRP CH2 . 10285 1 755 . 1 1 64 64 TRP CZ2 C 13 114.490 0.300 . 1 . . . . 64 TRP CZ2 . 10285 1 756 . 1 1 64 64 TRP CZ3 C 13 120.502 0.300 . 1 . . . . 64 TRP CZ3 . 10285 1 757 . 1 1 64 64 TRP N N 15 122.121 0.300 . 1 . . . . 64 TRP N . 10285 1 758 . 1 1 64 64 TRP NE1 N 15 128.540 0.300 . 1 . . . . 64 TRP NE1 . 10285 1 759 . 1 1 65 65 PHE H H 1 9.032 0.030 . 1 . . . . 65 PHE H . 10285 1 760 . 1 1 65 65 PHE HA H 1 3.662 0.030 . 1 . . . . 65 PHE HA . 10285 1 761 . 1 1 65 65 PHE HB2 H 1 3.428 0.030 . 2 . . . . 65 PHE HB2 . 10285 1 762 . 1 1 65 65 PHE HB3 H 1 3.257 0.030 . 2 . . . . 65 PHE HB3 . 10285 1 763 . 1 1 65 65 PHE HD1 H 1 7.776 0.030 . 1 . . . . 65 PHE HD1 . 10285 1 764 . 1 1 65 65 PHE HD2 H 1 7.776 0.030 . 1 . . . . 65 PHE HD2 . 10285 1 765 . 1 1 65 65 PHE HE1 H 1 7.494 0.030 . 1 . . . . 65 PHE HE1 . 10285 1 766 . 1 1 65 65 PHE HE2 H 1 7.494 0.030 . 1 . . . . 65 PHE HE2 . 10285 1 767 . 1 1 65 65 PHE HZ H 1 7.256 0.030 . 1 . . . . 65 PHE HZ . 10285 1 768 . 1 1 65 65 PHE C C 13 178.214 0.300 . 1 . . . . 65 PHE C . 10285 1 769 . 1 1 65 65 PHE CA C 13 63.919 0.300 . 1 . . . . 65 PHE CA . 10285 1 770 . 1 1 65 65 PHE CB C 13 39.512 0.300 . 1 . . . . 65 PHE CB . 10285 1 771 . 1 1 65 65 PHE CD1 C 13 132.364 0.300 . 1 . . . . 65 PHE CD1 . 10285 1 772 . 1 1 65 65 PHE CD2 C 13 132.364 0.300 . 1 . . . . 65 PHE CD2 . 10285 1 773 . 1 1 65 65 PHE CE1 C 13 131.638 0.300 . 1 . . . . 65 PHE CE1 . 10285 1 774 . 1 1 65 65 PHE CE2 C 13 131.638 0.300 . 1 . . . . 65 PHE CE2 . 10285 1 775 . 1 1 65 65 PHE CZ C 13 129.614 0.300 . 1 . . . . 65 PHE CZ . 10285 1 776 . 1 1 65 65 PHE N N 15 120.975 0.300 . 1 . . . . 65 PHE N . 10285 1 777 . 1 1 66 66 GLN H H 1 8.021 0.030 . 1 . . . . 66 GLN H . 10285 1 778 . 1 1 66 66 GLN HA H 1 3.957 0.030 . 1 . . . . 66 GLN HA . 10285 1 779 . 1 1 66 66 GLN HB2 H 1 2.164 0.030 . 2 . . . . 66 GLN HB2 . 10285 1 780 . 1 1 66 66 GLN HB3 H 1 2.288 0.030 . 2 . . . . 66 GLN HB3 . 10285 1 781 . 1 1 66 66 GLN HE21 H 1 6.885 0.030 . 2 . . . . 66 GLN HE21 . 10285 1 782 . 1 1 66 66 GLN HE22 H 1 7.512 0.030 . 2 . . . . 66 GLN HE22 . 10285 1 783 . 1 1 66 66 GLN HG2 H 1 2.563 0.030 . 2 . . . . 66 GLN HG2 . 10285 1 784 . 1 1 66 66 GLN HG3 H 1 2.446 0.030 . 2 . . . . 66 GLN HG3 . 10285 1 785 . 1 1 66 66 GLN C C 13 179.066 0.300 . 1 . . . . 66 GLN C . 10285 1 786 . 1 1 66 66 GLN CA C 13 59.426 0.300 . 1 . . . . 66 GLN CA . 10285 1 787 . 1 1 66 66 GLN CB C 13 28.536 0.300 . 1 . . . . 66 GLN CB . 10285 1 788 . 1 1 66 66 GLN CG C 13 33.815 0.300 . 1 . . . . 66 GLN CG . 10285 1 789 . 1 1 66 66 GLN N N 15 117.887 0.300 . 1 . . . . 66 GLN N . 10285 1 790 . 1 1 66 66 GLN NE2 N 15 111.200 0.300 . 1 . . . . 66 GLN NE2 . 10285 1 791 . 1 1 67 67 ASN H H 1 8.807 0.030 . 1 . . . . 67 ASN H . 10285 1 792 . 1 1 67 67 ASN HA H 1 4.331 0.030 . 1 . . . . 67 ASN HA . 10285 1 793 . 1 1 67 67 ASN HB2 H 1 2.517 0.030 . 2 . . . . 67 ASN HB2 . 10285 1 794 . 1 1 67 67 ASN HB3 H 1 2.714 0.030 . 2 . . . . 67 ASN HB3 . 10285 1 795 . 1 1 67 67 ASN HD21 H 1 7.545 0.030 . 2 . . . . 67 ASN HD21 . 10285 1 796 . 1 1 67 67 ASN HD22 H 1 6.889 0.030 . 2 . . . . 67 ASN HD22 . 10285 1 797 . 1 1 67 67 ASN C C 13 177.775 0.300 . 1 . . . . 67 ASN C . 10285 1 798 . 1 1 67 67 ASN CA C 13 55.461 0.300 . 1 . . . . 67 ASN CA . 10285 1 799 . 1 1 67 67 ASN CB C 13 37.718 0.300 . 1 . . . . 67 ASN CB . 10285 1 800 . 1 1 67 67 ASN N N 15 119.312 0.300 . 1 . . . . 67 ASN N . 10285 1 801 . 1 1 67 67 ASN ND2 N 15 112.288 0.300 . 1 . . . . 67 ASN ND2 . 10285 1 802 . 1 1 68 68 THR H H 1 8.092 0.030 . 1 . . . . 68 THR H . 10285 1 803 . 1 1 68 68 THR HA H 1 3.262 0.030 . 1 . . . . 68 THR HA . 10285 1 804 . 1 1 68 68 THR HB H 1 2.897 0.030 . 1 . . . . 68 THR HB . 10285 1 805 . 1 1 68 68 THR HG21 H 1 -0.108 0.030 . 1 . . . . 68 THR HG2 . 10285 1 806 . 1 1 68 68 THR HG22 H 1 -0.108 0.030 . 1 . . . . 68 THR HG2 . 10285 1 807 . 1 1 68 68 THR HG23 H 1 -0.108 0.030 . 1 . . . . 68 THR HG2 . 10285 1 808 . 1 1 68 68 THR C C 13 175.972 0.300 . 1 . . . . 68 THR C . 10285 1 809 . 1 1 68 68 THR CA C 13 66.903 0.300 . 1 . . . . 68 THR CA . 10285 1 810 . 1 1 68 68 THR CB C 13 67.800 0.300 . 1 . . . . 68 THR CB . 10285 1 811 . 1 1 68 68 THR CG2 C 13 19.522 0.300 . 1 . . . . 68 THR CG2 . 10285 1 812 . 1 1 68 68 THR N N 15 120.500 0.300 . 1 . . . . 68 THR N . 10285 1 813 . 1 1 69 69 ARG H H 1 8.154 0.030 . 1 . . . . 69 ARG H . 10285 1 814 . 1 1 69 69 ARG HA H 1 4.362 0.030 . 1 . . . . 69 ARG HA . 10285 1 815 . 1 1 69 69 ARG HB2 H 1 1.827 0.030 . 2 . . . . 69 ARG HB2 . 10285 1 816 . 1 1 69 69 ARG HB3 H 1 2.120 0.030 . 2 . . . . 69 ARG HB3 . 10285 1 817 . 1 1 69 69 ARG HD2 H 1 3.548 0.030 . 2 . . . . 69 ARG HD2 . 10285 1 818 . 1 1 69 69 ARG HD3 H 1 3.239 0.030 . 2 . . . . 69 ARG HD3 . 10285 1 819 . 1 1 69 69 ARG HG2 H 1 1.839 0.030 . 2 . . . . 69 ARG HG2 . 10285 1 820 . 1 1 69 69 ARG HG3 H 1 2.177 0.030 . 2 . . . . 69 ARG HG3 . 10285 1 821 . 1 1 69 69 ARG C C 13 179.432 0.300 . 1 . . . . 69 ARG C . 10285 1 822 . 1 1 69 69 ARG CA C 13 59.805 0.300 . 1 . . . . 69 ARG CA . 10285 1 823 . 1 1 69 69 ARG CB C 13 31.490 0.300 . 1 . . . . 69 ARG CB . 10285 1 824 . 1 1 69 69 ARG CD C 13 44.131 0.300 . 1 . . . . 69 ARG CD . 10285 1 825 . 1 1 69 69 ARG CG C 13 29.168 0.300 . 1 . . . . 69 ARG CG . 10285 1 826 . 1 1 69 69 ARG N N 15 121.451 0.300 . 1 . . . . 69 ARG N . 10285 1 827 . 1 1 70 70 ALA H H 1 7.686 0.030 . 1 . . . . 70 ALA H . 10285 1 828 . 1 1 70 70 ALA HA H 1 4.107 0.030 . 1 . . . . 70 ALA HA . 10285 1 829 . 1 1 70 70 ALA HB1 H 1 1.464 0.030 . 1 . . . . 70 ALA HB . 10285 1 830 . 1 1 70 70 ALA HB2 H 1 1.464 0.030 . 1 . . . . 70 ALA HB . 10285 1 831 . 1 1 70 70 ALA HB3 H 1 1.464 0.030 . 1 . . . . 70 ALA HB . 10285 1 832 . 1 1 70 70 ALA C C 13 179.724 0.300 . 1 . . . . 70 ALA C . 10285 1 833 . 1 1 70 70 ALA CA C 13 54.512 0.300 . 1 . . . . 70 ALA CA . 10285 1 834 . 1 1 70 70 ALA CB C 13 18.187 0.300 . 1 . . . . 70 ALA CB . 10285 1 835 . 1 1 70 70 ALA N N 15 119.887 0.300 . 1 . . . . 70 ALA N . 10285 1 836 . 1 1 71 71 ARG H H 1 7.588 0.030 . 1 . . . . 71 ARG H . 10285 1 837 . 1 1 71 71 ARG HA H 1 4.073 0.030 . 1 . . . . 71 ARG HA . 10285 1 838 . 1 1 71 71 ARG HB2 H 1 1.842 0.030 . 2 . . . . 71 ARG HB2 . 10285 1 839 . 1 1 71 71 ARG HB3 H 1 1.775 0.030 . 2 . . . . 71 ARG HB3 . 10285 1 840 . 1 1 71 71 ARG HD2 H 1 3.085 0.030 . 1 . . . . 71 ARG HD2 . 10285 1 841 . 1 1 71 71 ARG HD3 H 1 3.085 0.030 . 1 . . . . 71 ARG HD3 . 10285 1 842 . 1 1 71 71 ARG HG2 H 1 1.680 0.030 . 2 . . . . 71 ARG HG2 . 10285 1 843 . 1 1 71 71 ARG HG3 H 1 1.565 0.030 . 2 . . . . 71 ARG HG3 . 10285 1 844 . 1 1 71 71 ARG C C 13 177.775 0.300 . 1 . . . . 71 ARG C . 10285 1 845 . 1 1 71 71 ARG CA C 13 57.849 0.300 . 1 . . . . 71 ARG CA . 10285 1 846 . 1 1 71 71 ARG CB C 13 30.419 0.300 . 1 . . . . 71 ARG CB . 10285 1 847 . 1 1 71 71 ARG CD C 13 43.362 0.300 . 1 . . . . 71 ARG CD . 10285 1 848 . 1 1 71 71 ARG CG C 13 27.408 0.300 . 1 . . . . 71 ARG CG . 10285 1 849 . 1 1 71 71 ARG N N 15 117.554 0.300 . 1 . . . . 71 ARG N . 10285 1 850 . 1 1 72 72 GLU H H 1 7.776 0.030 . 1 . . . . 72 GLU H . 10285 1 851 . 1 1 72 72 GLU HA H 1 4.129 0.030 . 1 . . . . 72 GLU HA . 10285 1 852 . 1 1 72 72 GLU HB2 H 1 2.142 0.030 . 2 . . . . 72 GLU HB2 . 10285 1 853 . 1 1 72 72 GLU HB3 H 1 2.021 0.030 . 2 . . . . 72 GLU HB3 . 10285 1 854 . 1 1 72 72 GLU HG2 H 1 2.392 0.030 . 2 . . . . 72 GLU HG2 . 10285 1 855 . 1 1 72 72 GLU HG3 H 1 2.241 0.030 . 2 . . . . 72 GLU HG3 . 10285 1 856 . 1 1 72 72 GLU C C 13 177.190 0.300 . 1 . . . . 72 GLU C . 10285 1 857 . 1 1 72 72 GLU CA C 13 57.625 0.300 . 1 . . . . 72 GLU CA . 10285 1 858 . 1 1 72 72 GLU CB C 13 29.815 0.300 . 1 . . . . 72 GLU CB . 10285 1 859 . 1 1 72 72 GLU CG C 13 36.536 0.300 . 1 . . . . 72 GLU CG . 10285 1 860 . 1 1 72 72 GLU N N 15 119.019 0.300 . 1 . . . . 72 GLU N . 10285 1 861 . 1 1 73 73 ARG H H 1 7.956 0.030 . 1 . . . . 73 ARG H . 10285 1 862 . 1 1 73 73 ARG HA H 1 4.228 0.030 . 1 . . . . 73 ARG HA . 10285 1 863 . 1 1 73 73 ARG HB2 H 1 1.874 0.030 . 2 . . . . 73 ARG HB2 . 10285 1 864 . 1 1 73 73 ARG HB3 H 1 1.837 0.030 . 2 . . . . 73 ARG HB3 . 10285 1 865 . 1 1 73 73 ARG HD2 H 1 3.187 0.030 . 1 . . . . 73 ARG HD2 . 10285 1 866 . 1 1 73 73 ARG HD3 H 1 3.187 0.030 . 1 . . . . 73 ARG HD3 . 10285 1 867 . 1 1 73 73 ARG HG2 H 1 1.690 0.030 . 2 . . . . 73 ARG HG2 . 10285 1 868 . 1 1 73 73 ARG HG3 H 1 1.631 0.030 . 2 . . . . 73 ARG HG3 . 10285 1 869 . 1 1 73 73 ARG C C 13 176.581 0.300 . 1 . . . . 73 ARG C . 10285 1 870 . 1 1 73 73 ARG CA C 13 56.773 0.300 . 1 . . . . 73 ARG CA . 10285 1 871 . 1 1 73 73 ARG CB C 13 30.254 0.300 . 1 . . . . 73 ARG CB . 10285 1 872 . 1 1 73 73 ARG CD C 13 43.385 0.300 . 1 . . . . 73 ARG CD . 10285 1 873 . 1 1 73 73 ARG CG C 13 27.262 0.300 . 1 . . . . 73 ARG CG . 10285 1 874 . 1 1 73 73 ARG N N 15 119.948 0.300 . 1 . . . . 73 ARG N . 10285 1 875 . 1 1 74 74 LYS H H 1 8.155 0.030 . 1 . . . . 74 LYS H . 10285 1 876 . 1 1 74 74 LYS HA H 1 4.329 0.030 . 1 . . . . 74 LYS HA . 10285 1 877 . 1 1 74 74 LYS HB2 H 1 1.779 0.030 . 2 . . . . 74 LYS HB2 . 10285 1 878 . 1 1 74 74 LYS HB3 H 1 1.875 0.030 . 2 . . . . 74 LYS HB3 . 10285 1 879 . 1 1 74 74 LYS HD2 H 1 1.663 0.030 . 1 . . . . 74 LYS HD2 . 10285 1 880 . 1 1 74 74 LYS HD3 H 1 1.663 0.030 . 1 . . . . 74 LYS HD3 . 10285 1 881 . 1 1 74 74 LYS HE2 H 1 2.950 0.030 . 1 . . . . 74 LYS HE2 . 10285 1 882 . 1 1 74 74 LYS HE3 H 1 2.950 0.030 . 1 . . . . 74 LYS HE3 . 10285 1 883 . 1 1 74 74 LYS HG2 H 1 1.428 0.030 . 2 . . . . 74 LYS HG2 . 10285 1 884 . 1 1 74 74 LYS HG3 H 1 1.469 0.030 . 2 . . . . 74 LYS HG3 . 10285 1 885 . 1 1 74 74 LYS C C 13 176.703 0.300 . 1 . . . . 74 LYS C . 10285 1 886 . 1 1 74 74 LYS CA C 13 56.458 0.300 . 1 . . . . 74 LYS CA . 10285 1 887 . 1 1 74 74 LYS CB C 13 32.825 0.300 . 1 . . . . 74 LYS CB . 10285 1 888 . 1 1 74 74 LYS CD C 13 29.294 0.300 . 1 . . . . 74 LYS CD . 10285 1 889 . 1 1 74 74 LYS CE C 13 42.007 0.300 . 1 . . . . 74 LYS CE . 10285 1 890 . 1 1 74 74 LYS CG C 13 24.876 0.300 . 1 . . . . 74 LYS CG . 10285 1 891 . 1 1 74 74 LYS N N 15 121.577 0.300 . 1 . . . . 74 LYS N . 10285 1 892 . 1 1 75 75 SER H H 1 8.246 0.030 . 1 . . . . 75 SER H . 10285 1 893 . 1 1 75 75 SER HA H 1 4.474 0.030 . 1 . . . . 75 SER HA . 10285 1 894 . 1 1 75 75 SER HB2 H 1 3.866 0.030 . 1 . . . . 75 SER HB2 . 10285 1 895 . 1 1 75 75 SER HB3 H 1 3.866 0.030 . 1 . . . . 75 SER HB3 . 10285 1 896 . 1 1 75 75 SER C C 13 174.486 0.300 . 1 . . . . 75 SER C . 10285 1 897 . 1 1 75 75 SER CA C 13 58.365 0.300 . 1 . . . . 75 SER CA . 10285 1 898 . 1 1 75 75 SER CB C 13 63.967 0.300 . 1 . . . . 75 SER CB . 10285 1 899 . 1 1 75 75 SER N N 15 116.340 0.300 . 1 . . . . 75 SER N . 10285 1 900 . 1 1 76 76 GLY H H 1 8.205 0.030 . 1 . . . . 76 GLY H . 10285 1 901 . 1 1 76 76 GLY HA2 H 1 4.118 0.030 . 1 . . . . 76 GLY HA2 . 10285 1 902 . 1 1 76 76 GLY HA3 H 1 4.118 0.030 . 1 . . . . 76 GLY HA3 . 10285 1 903 . 1 1 76 76 GLY C C 13 171.758 0.300 . 1 . . . . 76 GLY C . 10285 1 904 . 1 1 76 76 GLY CA C 13 44.661 0.300 . 1 . . . . 76 GLY CA . 10285 1 905 . 1 1 76 76 GLY N N 15 110.555 0.300 . 1 . . . . 76 GLY N . 10285 1 906 . 1 1 77 77 PRO HA H 1 4.450 0.030 . 1 . . . . 77 PRO HA . 10285 1 907 . 1 1 77 77 PRO HB2 H 1 1.956 0.030 . 2 . . . . 77 PRO HB2 . 10285 1 908 . 1 1 77 77 PRO HB3 H 1 2.267 0.030 . 2 . . . . 77 PRO HB3 . 10285 1 909 . 1 1 77 77 PRO HD2 H 1 3.602 0.030 . 1 . . . . 77 PRO HD2 . 10285 1 910 . 1 1 77 77 PRO HD3 H 1 3.602 0.030 . 1 . . . . 77 PRO HD3 . 10285 1 911 . 1 1 77 77 PRO HG2 H 1 1.989 0.030 . 1 . . . . 77 PRO HG2 . 10285 1 912 . 1 1 77 77 PRO HG3 H 1 1.989 0.030 . 1 . . . . 77 PRO HG3 . 10285 1 913 . 1 1 77 77 PRO C C 13 177.458 0.300 . 1 . . . . 77 PRO C . 10285 1 914 . 1 1 77 77 PRO CA C 13 63.249 0.300 . 1 . . . . 77 PRO CA . 10285 1 915 . 1 1 77 77 PRO CB C 13 32.180 0.300 . 1 . . . . 77 PRO CB . 10285 1 916 . 1 1 77 77 PRO CD C 13 49.749 0.300 . 1 . . . . 77 PRO CD . 10285 1 917 . 1 1 77 77 PRO CG C 13 27.057 0.300 . 1 . . . . 77 PRO CG . 10285 1 918 . 1 1 78 78 SER H H 1 8.525 0.030 . 1 . . . . 78 SER H . 10285 1 919 . 1 1 78 78 SER HA H 1 4.471 0.030 . 1 . . . . 78 SER HA . 10285 1 920 . 1 1 78 78 SER HB2 H 1 3.855 0.030 . 1 . . . . 78 SER HB2 . 10285 1 921 . 1 1 78 78 SER HB3 H 1 3.855 0.030 . 1 . . . . 78 SER HB3 . 10285 1 922 . 1 1 78 78 SER C C 13 174.648 0.300 . 1 . . . . 78 SER C . 10285 1 923 . 1 1 78 78 SER CA C 13 58.460 0.300 . 1 . . . . 78 SER CA . 10285 1 924 . 1 1 78 78 SER CB C 13 63.885 0.300 . 1 . . . . 78 SER CB . 10285 1 925 . 1 1 78 78 SER N N 15 116.381 0.300 . 1 . . . . 78 SER N . 10285 1 926 . 1 1 79 79 SER H H 1 8.309 0.030 . 1 . . . . 79 SER H . 10285 1 927 . 1 1 79 79 SER HA H 1 4.457 0.030 . 1 . . . . 79 SER HA . 10285 1 928 . 1 1 79 79 SER HB2 H 1 3.861 0.030 . 1 . . . . 79 SER HB2 . 10285 1 929 . 1 1 79 79 SER HB3 H 1 3.861 0.030 . 1 . . . . 79 SER HB3 . 10285 1 930 . 1 1 79 79 SER C C 13 173.925 0.300 . 1 . . . . 79 SER C . 10285 1 931 . 1 1 79 79 SER CA C 13 58.401 0.300 . 1 . . . . 79 SER CA . 10285 1 932 . 1 1 79 79 SER CB C 13 64.132 0.300 . 1 . . . . 79 SER CB . 10285 1 933 . 1 1 79 79 SER N N 15 117.741 0.300 . 1 . . . . 79 SER N . 10285 1 934 . 1 1 80 80 GLY H H 1 8.032 0.030 . 1 . . . . 80 GLY H . 10285 1 935 . 1 1 80 80 GLY HA2 H 1 3.738 0.030 . 1 . . . . 80 GLY HA2 . 10285 1 936 . 1 1 80 80 GLY HA3 H 1 3.738 0.030 . 1 . . . . 80 GLY HA3 . 10285 1 937 . 1 1 80 80 GLY C C 13 178.971 0.300 . 1 . . . . 80 GLY C . 10285 1 938 . 1 1 80 80 GLY CA C 13 46.197 0.300 . 1 . . . . 80 GLY CA . 10285 1 939 . 1 1 80 80 GLY N N 15 116.808 0.300 . 1 . . . . 80 GLY N . 10285 1 stop_ save_