data_10329 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10329 _Entry.Title ; Solution structure of the 16th Filamin domain from human Filamin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-14 _Entry.Accession_date 2009-04-14 _Entry.Last_release_date 2010-04-14 _Entry.Original_release_date 2010-04-14 _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 T. Tomizawa . . . 10329 2 T. Kigawa . . . 10329 3 S. Koshiba . . . 10329 4 M. Inoue . . . 10329 5 S. Yokoyama . . . 10329 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' 10329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 381 10329 '15N chemical shifts' 83 10329 '1H chemical shifts' 599 10329 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 . . 2010-04-14 2009-04-14 original author . 10329 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D7N 'BMRB Entry Tracking System' 10329 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10329 _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 16th Filamin domain from human Filamin C' _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 T. Tomizawa . . . 10329 1 2 T. Kigawa . . . 10329 1 3 S. Koshiba . . . 10329 1 4 M. Inoue . . . 10329 1 5 S. Yokoyama . . . 10329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10329 _Assembly.ID 1 _Assembly.Name Filamin-C _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 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10329 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 2D7N . . . . . . 10329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10329 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin 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 ; GSSGSSGLRPFNLVIPFAVQ KGELTGEVRMPSGKTARPNI TDNKDGTITVRYAPTEKGLH QMGIKYDGNHIPGSPLQFYV DAINSRHSGPSSG ; _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 93 _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 2D7N . "Solution Structure Of The 16th Filamin Domain From Human Filamin C" . . . . . 100.00 93 100.00 100.00 3.23e-60 . . . . 10329 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10329 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 . 10329 1 2 . SER . 10329 1 3 . SER . 10329 1 4 . GLY . 10329 1 5 . SER . 10329 1 6 . SER . 10329 1 7 . GLY . 10329 1 8 . LEU . 10329 1 9 . ARG . 10329 1 10 . PRO . 10329 1 11 . PHE . 10329 1 12 . ASN . 10329 1 13 . LEU . 10329 1 14 . VAL . 10329 1 15 . ILE . 10329 1 16 . PRO . 10329 1 17 . PHE . 10329 1 18 . ALA . 10329 1 19 . VAL . 10329 1 20 . GLN . 10329 1 21 . LYS . 10329 1 22 . GLY . 10329 1 23 . GLU . 10329 1 24 . LEU . 10329 1 25 . THR . 10329 1 26 . GLY . 10329 1 27 . GLU . 10329 1 28 . VAL . 10329 1 29 . ARG . 10329 1 30 . MET . 10329 1 31 . PRO . 10329 1 32 . SER . 10329 1 33 . GLY . 10329 1 34 . LYS . 10329 1 35 . THR . 10329 1 36 . ALA . 10329 1 37 . ARG . 10329 1 38 . PRO . 10329 1 39 . ASN . 10329 1 40 . ILE . 10329 1 41 . THR . 10329 1 42 . ASP . 10329 1 43 . ASN . 10329 1 44 . LYS . 10329 1 45 . ASP . 10329 1 46 . GLY . 10329 1 47 . THR . 10329 1 48 . ILE . 10329 1 49 . THR . 10329 1 50 . VAL . 10329 1 51 . ARG . 10329 1 52 . TYR . 10329 1 53 . ALA . 10329 1 54 . PRO . 10329 1 55 . THR . 10329 1 56 . GLU . 10329 1 57 . LYS . 10329 1 58 . GLY . 10329 1 59 . LEU . 10329 1 60 . HIS . 10329 1 61 . GLN . 10329 1 62 . MET . 10329 1 63 . GLY . 10329 1 64 . ILE . 10329 1 65 . LYS . 10329 1 66 . TYR . 10329 1 67 . ASP . 10329 1 68 . GLY . 10329 1 69 . ASN . 10329 1 70 . HIS . 10329 1 71 . ILE . 10329 1 72 . PRO . 10329 1 73 . GLY . 10329 1 74 . SER . 10329 1 75 . PRO . 10329 1 76 . LEU . 10329 1 77 . GLN . 10329 1 78 . PHE . 10329 1 79 . TYR . 10329 1 80 . VAL . 10329 1 81 . ASP . 10329 1 82 . ALA . 10329 1 83 . ILE . 10329 1 84 . ASN . 10329 1 85 . SER . 10329 1 86 . ARG . 10329 1 87 . HIS . 10329 1 88 . SER . 10329 1 89 . GLY . 10329 1 90 . PRO . 10329 1 91 . SER . 10329 1 92 . SER . 10329 1 93 . GLY . 10329 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 10329 1 . SER 2 2 10329 1 . SER 3 3 10329 1 . GLY 4 4 10329 1 . SER 5 5 10329 1 . SER 6 6 10329 1 . GLY 7 7 10329 1 . LEU 8 8 10329 1 . ARG 9 9 10329 1 . PRO 10 10 10329 1 . PHE 11 11 10329 1 . ASN 12 12 10329 1 . LEU 13 13 10329 1 . VAL 14 14 10329 1 . ILE 15 15 10329 1 . PRO 16 16 10329 1 . PHE 17 17 10329 1 . ALA 18 18 10329 1 . VAL 19 19 10329 1 . GLN 20 20 10329 1 . LYS 21 21 10329 1 . GLY 22 22 10329 1 . GLU 23 23 10329 1 . LEU 24 24 10329 1 . THR 25 25 10329 1 . GLY 26 26 10329 1 . GLU 27 27 10329 1 . VAL 28 28 10329 1 . ARG 29 29 10329 1 . MET 30 30 10329 1 . PRO 31 31 10329 1 . SER 32 32 10329 1 . GLY 33 33 10329 1 . LYS 34 34 10329 1 . THR 35 35 10329 1 . ALA 36 36 10329 1 . ARG 37 37 10329 1 . PRO 38 38 10329 1 . ASN 39 39 10329 1 . ILE 40 40 10329 1 . THR 41 41 10329 1 . ASP 42 42 10329 1 . ASN 43 43 10329 1 . LYS 44 44 10329 1 . ASP 45 45 10329 1 . GLY 46 46 10329 1 . THR 47 47 10329 1 . ILE 48 48 10329 1 . THR 49 49 10329 1 . VAL 50 50 10329 1 . ARG 51 51 10329 1 . TYR 52 52 10329 1 . ALA 53 53 10329 1 . PRO 54 54 10329 1 . THR 55 55 10329 1 . GLU 56 56 10329 1 . LYS 57 57 10329 1 . GLY 58 58 10329 1 . LEU 59 59 10329 1 . HIS 60 60 10329 1 . GLN 61 61 10329 1 . MET 62 62 10329 1 . GLY 63 63 10329 1 . ILE 64 64 10329 1 . LYS 65 65 10329 1 . TYR 66 66 10329 1 . ASP 67 67 10329 1 . GLY 68 68 10329 1 . ASN 69 69 10329 1 . HIS 70 70 10329 1 . ILE 71 71 10329 1 . PRO 72 72 10329 1 . GLY 73 73 10329 1 . SER 74 74 10329 1 . PRO 75 75 10329 1 . LEU 76 76 10329 1 . GLN 77 77 10329 1 . PHE 78 78 10329 1 . TYR 79 79 10329 1 . VAL 80 80 10329 1 . ASP 81 81 10329 1 . ALA 82 82 10329 1 . ILE 83 83 10329 1 . ASN 84 84 10329 1 . SER 85 85 10329 1 . ARG 86 86 10329 1 . HIS 87 87 10329 1 . SER 88 88 10329 1 . GLY 89 89 10329 1 . PRO 90 90 10329 1 . SER 91 91 10329 1 . SER 92 92 10329 1 . GLY 93 93 10329 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 10329 _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 . . . . . . . . . . . . . . . . . . . . . 10329 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 10329 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050404-02 . . . . . . 10329 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10329 _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 'Filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.19 . . mM . . . . 10329 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10329 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10329 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10329 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10329 1 6 H2O . . . . . . solvent 90 . . % . . . . 10329 1 7 D2O . . . . . . solvent 10 . . % . . . . 10329 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 10329 _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 10329 1 pH 7.0 0.05 pH 10329 1 pressure 1 0.001 atm 10329 1 temperature 296 0.1 K 10329 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10329 _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 . . 10329 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10329 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10329 _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.' . . 10329 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10329 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10329 _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.' . . 10329 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10329 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10329 _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.' . . 10329 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10329 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10329 _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.' . . 10329 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10329 5 'structure solution' 10329 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 10329 _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 10329 _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 . . . 10329 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 10329 _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 . . . . . . . . . . . . . . . . 10329 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10329 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 10329 _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 . . . . . . . . . 10329 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10329 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10329 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 10329 _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 10329 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10329 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 1 1 GLY HA2 H 1 3.828 0.030 . 1 . . . . 1 GLY HA2 . 10329 1 2 . 1 1 1 1 GLY HA3 H 1 3.828 0.030 . 1 . . . . 1 GLY HA3 . 10329 1 3 . 1 1 1 1 GLY CA C 13 43.874 0.300 . 1 . . . . 1 GLY CA . 10329 1 4 . 1 1 4 4 GLY HA2 H 1 3.996 0.030 . 1 . . . . 4 GLY HA2 . 10329 1 5 . 1 1 4 4 GLY HA3 H 1 3.996 0.030 . 1 . . . . 4 GLY HA3 . 10329 1 6 . 1 1 4 4 GLY CA C 13 45.402 0.300 . 1 . . . . 4 GLY CA . 10329 1 7 . 1 1 6 6 SER HA H 1 4.455 0.030 . 1 . . . . 6 SER HA . 10329 1 8 . 1 1 6 6 SER HB2 H 1 3.876 0.030 . 1 . . . . 6 SER HB2 . 10329 1 9 . 1 1 6 6 SER HB3 H 1 3.876 0.030 . 1 . . . . 6 SER HB3 . 10329 1 10 . 1 1 6 6 SER C C 13 174.854 0.300 . 1 . . . . 6 SER C . 10329 1 11 . 1 1 6 6 SER CA C 13 58.486 0.300 . 1 . . . . 6 SER CA . 10329 1 12 . 1 1 6 6 SER CB C 13 63.814 0.300 . 1 . . . . 6 SER CB . 10329 1 13 . 1 1 7 7 GLY H H 1 8.364 0.030 . 1 . . . . 7 GLY H . 10329 1 14 . 1 1 7 7 GLY HA2 H 1 3.942 0.030 . 1 . . . . 7 GLY HA2 . 10329 1 15 . 1 1 7 7 GLY HA3 H 1 3.942 0.030 . 1 . . . . 7 GLY HA3 . 10329 1 16 . 1 1 7 7 GLY C C 13 173.524 0.300 . 1 . . . . 7 GLY C . 10329 1 17 . 1 1 7 7 GLY CA C 13 45.223 0.300 . 1 . . . . 7 GLY CA . 10329 1 18 . 1 1 7 7 GLY N N 15 110.114 0.300 . 1 . . . . 7 GLY N . 10329 1 19 . 1 1 8 8 LEU H H 1 8.077 0.030 . 1 . . . . 8 LEU H . 10329 1 20 . 1 1 8 8 LEU HA H 1 4.509 0.030 . 1 . . . . 8 LEU HA . 10329 1 21 . 1 1 8 8 LEU HB2 H 1 1.006 0.030 . 2 . . . . 8 LEU HB2 . 10329 1 22 . 1 1 8 8 LEU HB3 H 1 1.456 0.030 . 2 . . . . 8 LEU HB3 . 10329 1 23 . 1 1 8 8 LEU HD11 H 1 0.469 0.030 . 1 . . . . 8 LEU HD1 . 10329 1 24 . 1 1 8 8 LEU HD12 H 1 0.469 0.030 . 1 . . . . 8 LEU HD1 . 10329 1 25 . 1 1 8 8 LEU HD13 H 1 0.469 0.030 . 1 . . . . 8 LEU HD1 . 10329 1 26 . 1 1 8 8 LEU HD21 H 1 0.638 0.030 . 1 . . . . 8 LEU HD2 . 10329 1 27 . 1 1 8 8 LEU HD22 H 1 0.638 0.030 . 1 . . . . 8 LEU HD2 . 10329 1 28 . 1 1 8 8 LEU HD23 H 1 0.638 0.030 . 1 . . . . 8 LEU HD2 . 10329 1 29 . 1 1 8 8 LEU HG H 1 1.473 0.030 . 1 . . . . 8 LEU HG . 10329 1 30 . 1 1 8 8 LEU C C 13 176.900 0.300 . 1 . . . . 8 LEU C . 10329 1 31 . 1 1 8 8 LEU CA C 13 53.786 0.300 . 1 . . . . 8 LEU CA . 10329 1 32 . 1 1 8 8 LEU CB C 13 42.428 0.300 . 1 . . . . 8 LEU CB . 10329 1 33 . 1 1 8 8 LEU CD1 C 13 24.824 0.300 . 2 . . . . 8 LEU CD1 . 10329 1 34 . 1 1 8 8 LEU CD2 C 13 22.653 0.300 . 2 . . . . 8 LEU CD2 . 10329 1 35 . 1 1 8 8 LEU CG C 13 26.613 0.300 . 1 . . . . 8 LEU CG . 10329 1 36 . 1 1 8 8 LEU N N 15 120.531 0.300 . 1 . . . . 8 LEU N . 10329 1 37 . 1 1 9 9 ARG H H 1 8.478 0.030 . 1 . . . . 9 ARG H . 10329 1 38 . 1 1 9 9 ARG HA H 1 4.326 0.030 . 1 . . . . 9 ARG HA . 10329 1 39 . 1 1 9 9 ARG HB2 H 1 1.805 0.030 . 2 . . . . 9 ARG HB2 . 10329 1 40 . 1 1 9 9 ARG HB3 H 1 1.939 0.030 . 2 . . . . 9 ARG HB3 . 10329 1 41 . 1 1 9 9 ARG HD2 H 1 3.264 0.030 . 2 . . . . 9 ARG HD2 . 10329 1 42 . 1 1 9 9 ARG HD3 H 1 3.316 0.030 . 2 . . . . 9 ARG HD3 . 10329 1 43 . 1 1 9 9 ARG HG2 H 1 1.809 0.030 . 2 . . . . 9 ARG HG2 . 10329 1 44 . 1 1 9 9 ARG HG3 H 1 1.719 0.030 . 2 . . . . 9 ARG HG3 . 10329 1 45 . 1 1 9 9 ARG C C 13 173.822 0.300 . 1 . . . . 9 ARG C . 10329 1 46 . 1 1 9 9 ARG CA C 13 54.661 0.300 . 1 . . . . 9 ARG CA . 10329 1 47 . 1 1 9 9 ARG CB C 13 30.781 0.300 . 1 . . . . 9 ARG CB . 10329 1 48 . 1 1 9 9 ARG CD C 13 43.492 0.300 . 1 . . . . 9 ARG CD . 10329 1 49 . 1 1 9 9 ARG CG C 13 27.183 0.300 . 1 . . . . 9 ARG CG . 10329 1 50 . 1 1 9 9 ARG N N 15 125.055 0.300 . 1 . . . . 9 ARG N . 10329 1 51 . 1 1 10 10 PRO HA H 1 4.533 0.030 . 1 . . . . 10 PRO HA . 10329 1 52 . 1 1 10 10 PRO HB2 H 1 1.798 0.030 . 2 . . . . 10 PRO HB2 . 10329 1 53 . 1 1 10 10 PRO HB3 H 1 2.225 0.030 . 2 . . . . 10 PRO HB3 . 10329 1 54 . 1 1 10 10 PRO HD2 H 1 3.931 0.030 . 2 . . . . 10 PRO HD2 . 10329 1 55 . 1 1 10 10 PRO HD3 H 1 3.646 0.030 . 2 . . . . 10 PRO HD3 . 10329 1 56 . 1 1 10 10 PRO HG2 H 1 1.976 0.030 . 1 . . . . 10 PRO HG2 . 10329 1 57 . 1 1 10 10 PRO HG3 H 1 1.976 0.030 . 1 . . . . 10 PRO HG3 . 10329 1 58 . 1 1 10 10 PRO C C 13 175.683 0.300 . 1 . . . . 10 PRO C . 10329 1 59 . 1 1 10 10 PRO CA C 13 62.787 0.300 . 1 . . . . 10 PRO CA . 10329 1 60 . 1 1 10 10 PRO CB C 13 32.254 0.300 . 1 . . . . 10 PRO CB . 10329 1 61 . 1 1 10 10 PRO CD C 13 50.688 0.300 . 1 . . . . 10 PRO CD . 10329 1 62 . 1 1 10 10 PRO CG C 13 27.365 0.300 . 1 . . . . 10 PRO CG . 10329 1 63 . 1 1 11 11 PHE H H 1 8.657 0.030 . 1 . . . . 11 PHE H . 10329 1 64 . 1 1 11 11 PHE HA H 1 4.641 0.030 . 1 . . . . 11 PHE HA . 10329 1 65 . 1 1 11 11 PHE HB2 H 1 2.602 0.030 . 2 . . . . 11 PHE HB2 . 10329 1 66 . 1 1 11 11 PHE HB3 H 1 2.679 0.030 . 2 . . . . 11 PHE HB3 . 10329 1 67 . 1 1 11 11 PHE HD1 H 1 6.478 0.030 . 1 . . . . 11 PHE HD1 . 10329 1 68 . 1 1 11 11 PHE HD2 H 1 6.478 0.030 . 1 . . . . 11 PHE HD2 . 10329 1 69 . 1 1 11 11 PHE HE1 H 1 6.790 0.030 . 1 . . . . 11 PHE HE1 . 10329 1 70 . 1 1 11 11 PHE HE2 H 1 6.790 0.030 . 1 . . . . 11 PHE HE2 . 10329 1 71 . 1 1 11 11 PHE HZ H 1 6.872 0.030 . 1 . . . . 11 PHE HZ . 10329 1 72 . 1 1 11 11 PHE C C 13 173.895 0.300 . 1 . . . . 11 PHE C . 10329 1 73 . 1 1 11 11 PHE CA C 13 57.016 0.300 . 1 . . . . 11 PHE CA . 10329 1 74 . 1 1 11 11 PHE CB C 13 41.593 0.300 . 1 . . . . 11 PHE CB . 10329 1 75 . 1 1 11 11 PHE CD1 C 13 130.815 0.300 . 1 . . . . 11 PHE CD1 . 10329 1 76 . 1 1 11 11 PHE CD2 C 13 130.815 0.300 . 1 . . . . 11 PHE CD2 . 10329 1 77 . 1 1 11 11 PHE CE1 C 13 130.498 0.300 . 1 . . . . 11 PHE CE1 . 10329 1 78 . 1 1 11 11 PHE CE2 C 13 130.498 0.300 . 1 . . . . 11 PHE CE2 . 10329 1 79 . 1 1 11 11 PHE CZ C 13 129.438 0.300 . 1 . . . . 11 PHE CZ . 10329 1 80 . 1 1 11 11 PHE N N 15 122.131 0.300 . 1 . . . . 11 PHE N . 10329 1 81 . 1 1 12 12 ASN H H 1 7.768 0.030 . 1 . . . . 12 ASN H . 10329 1 82 . 1 1 12 12 ASN HA H 1 5.210 0.030 . 1 . . . . 12 ASN HA . 10329 1 83 . 1 1 12 12 ASN HB2 H 1 2.323 0.030 . 2 . . . . 12 ASN HB2 . 10329 1 84 . 1 1 12 12 ASN HB3 H 1 2.444 0.030 . 2 . . . . 12 ASN HB3 . 10329 1 85 . 1 1 12 12 ASN HD21 H 1 7.203 0.030 . 2 . . . . 12 ASN HD21 . 10329 1 86 . 1 1 12 12 ASN HD22 H 1 6.475 0.030 . 2 . . . . 12 ASN HD22 . 10329 1 87 . 1 1 12 12 ASN C C 13 172.558 0.300 . 1 . . . . 12 ASN C . 10329 1 88 . 1 1 12 12 ASN CA C 13 52.220 0.300 . 1 . . . . 12 ASN CA . 10329 1 89 . 1 1 12 12 ASN CB C 13 42.407 0.300 . 1 . . . . 12 ASN CB . 10329 1 90 . 1 1 12 12 ASN N N 15 126.714 0.300 . 1 . . . . 12 ASN N . 10329 1 91 . 1 1 12 12 ASN ND2 N 15 111.703 0.300 . 1 . . . . 12 ASN ND2 . 10329 1 92 . 1 1 13 13 LEU H H 1 8.606 0.030 . 1 . . . . 13 LEU H . 10329 1 93 . 1 1 13 13 LEU HA H 1 4.395 0.030 . 1 . . . . 13 LEU HA . 10329 1 94 . 1 1 13 13 LEU HB2 H 1 0.948 0.030 . 2 . . . . 13 LEU HB2 . 10329 1 95 . 1 1 13 13 LEU HB3 H 1 1.344 0.030 . 2 . . . . 13 LEU HB3 . 10329 1 96 . 1 1 13 13 LEU HD11 H 1 0.892 0.030 . 1 . . . . 13 LEU HD1 . 10329 1 97 . 1 1 13 13 LEU HD12 H 1 0.892 0.030 . 1 . . . . 13 LEU HD1 . 10329 1 98 . 1 1 13 13 LEU HD13 H 1 0.892 0.030 . 1 . . . . 13 LEU HD1 . 10329 1 99 . 1 1 13 13 LEU HD21 H 1 0.844 0.030 . 1 . . . . 13 LEU HD2 . 10329 1 100 . 1 1 13 13 LEU HD22 H 1 0.844 0.030 . 1 . . . . 13 LEU HD2 . 10329 1 101 . 1 1 13 13 LEU HD23 H 1 0.844 0.030 . 1 . . . . 13 LEU HD2 . 10329 1 102 . 1 1 13 13 LEU HG H 1 1.264 0.030 . 1 . . . . 13 LEU HG . 10329 1 103 . 1 1 13 13 LEU C C 13 173.859 0.300 . 1 . . . . 13 LEU C . 10329 1 104 . 1 1 13 13 LEU CA C 13 54.448 0.300 . 1 . . . . 13 LEU CA . 10329 1 105 . 1 1 13 13 LEU CB C 13 47.289 0.300 . 1 . . . . 13 LEU CB . 10329 1 106 . 1 1 13 13 LEU CD1 C 13 23.182 0.300 . 2 . . . . 13 LEU CD1 . 10329 1 107 . 1 1 13 13 LEU CD2 C 13 26.650 0.300 . 2 . . . . 13 LEU CD2 . 10329 1 108 . 1 1 13 13 LEU CG C 13 27.052 0.300 . 1 . . . . 13 LEU CG . 10329 1 109 . 1 1 13 13 LEU N N 15 125.519 0.300 . 1 . . . . 13 LEU N . 10329 1 110 . 1 1 14 14 VAL H H 1 8.320 0.030 . 1 . . . . 14 VAL H . 10329 1 111 . 1 1 14 14 VAL HA H 1 4.939 0.030 . 1 . . . . 14 VAL HA . 10329 1 112 . 1 1 14 14 VAL HB H 1 1.880 0.030 . 1 . . . . 14 VAL HB . 10329 1 113 . 1 1 14 14 VAL HG11 H 1 0.783 0.030 . 1 . . . . 14 VAL HG1 . 10329 1 114 . 1 1 14 14 VAL HG12 H 1 0.783 0.030 . 1 . . . . 14 VAL HG1 . 10329 1 115 . 1 1 14 14 VAL HG13 H 1 0.783 0.030 . 1 . . . . 14 VAL HG1 . 10329 1 116 . 1 1 14 14 VAL HG21 H 1 0.924 0.030 . 1 . . . . 14 VAL HG2 . 10329 1 117 . 1 1 14 14 VAL HG22 H 1 0.924 0.030 . 1 . . . . 14 VAL HG2 . 10329 1 118 . 1 1 14 14 VAL HG23 H 1 0.924 0.030 . 1 . . . . 14 VAL HG2 . 10329 1 119 . 1 1 14 14 VAL C C 13 176.229 0.300 . 1 . . . . 14 VAL C . 10329 1 120 . 1 1 14 14 VAL CA C 13 61.562 0.300 . 1 . . . . 14 VAL CA . 10329 1 121 . 1 1 14 14 VAL CB C 13 32.203 0.300 . 1 . . . . 14 VAL CB . 10329 1 122 . 1 1 14 14 VAL CG1 C 13 20.733 0.300 . 2 . . . . 14 VAL CG1 . 10329 1 123 . 1 1 14 14 VAL CG2 C 13 21.044 0.300 . 2 . . . . 14 VAL CG2 . 10329 1 124 . 1 1 14 14 VAL N N 15 127.289 0.300 . 1 . . . . 14 VAL N . 10329 1 125 . 1 1 15 15 ILE H H 1 9.158 0.030 . 1 . . . . 15 ILE H . 10329 1 126 . 1 1 15 15 ILE HA H 1 4.730 0.030 . 1 . . . . 15 ILE HA . 10329 1 127 . 1 1 15 15 ILE HB H 1 1.601 0.030 . 1 . . . . 15 ILE HB . 10329 1 128 . 1 1 15 15 ILE HD11 H 1 0.719 0.030 . 1 . . . . 15 ILE HD1 . 10329 1 129 . 1 1 15 15 ILE HD12 H 1 0.719 0.030 . 1 . . . . 15 ILE HD1 . 10329 1 130 . 1 1 15 15 ILE HD13 H 1 0.719 0.030 . 1 . . . . 15 ILE HD1 . 10329 1 131 . 1 1 15 15 ILE HG12 H 1 0.939 0.030 . 2 . . . . 15 ILE HG12 . 10329 1 132 . 1 1 15 15 ILE HG13 H 1 1.476 0.030 . 2 . . . . 15 ILE HG13 . 10329 1 133 . 1 1 15 15 ILE HG21 H 1 0.887 0.030 . 1 . . . . 15 ILE HG2 . 10329 1 134 . 1 1 15 15 ILE HG22 H 1 0.887 0.030 . 1 . . . . 15 ILE HG2 . 10329 1 135 . 1 1 15 15 ILE HG23 H 1 0.887 0.030 . 1 . . . . 15 ILE HG2 . 10329 1 136 . 1 1 15 15 ILE C C 13 174.209 0.300 . 1 . . . . 15 ILE C . 10329 1 137 . 1 1 15 15 ILE CA C 13 57.856 0.300 . 1 . . . . 15 ILE CA . 10329 1 138 . 1 1 15 15 ILE CB C 13 42.555 0.300 . 1 . . . . 15 ILE CB . 10329 1 139 . 1 1 15 15 ILE CD1 C 13 14.210 0.300 . 1 . . . . 15 ILE CD1 . 10329 1 140 . 1 1 15 15 ILE CG1 C 13 27.374 0.300 . 1 . . . . 15 ILE CG1 . 10329 1 141 . 1 1 15 15 ILE CG2 C 13 16.385 0.300 . 1 . . . . 15 ILE CG2 . 10329 1 142 . 1 1 15 15 ILE N N 15 128.380 0.300 . 1 . . . . 15 ILE N . 10329 1 143 . 1 1 16 16 PRO HA H 1 4.746 0.030 . 1 . . . . 16 PRO HA . 10329 1 144 . 1 1 16 16 PRO HB2 H 1 2.116 0.030 . 1 . . . . 16 PRO HB2 . 10329 1 145 . 1 1 16 16 PRO HB3 H 1 2.116 0.030 . 1 . . . . 16 PRO HB3 . 10329 1 146 . 1 1 16 16 PRO HD2 H 1 3.774 0.030 . 2 . . . . 16 PRO HD2 . 10329 1 147 . 1 1 16 16 PRO HD3 H 1 3.821 0.030 . 2 . . . . 16 PRO HD3 . 10329 1 148 . 1 1 16 16 PRO HG2 H 1 2.216 0.030 . 2 . . . . 16 PRO HG2 . 10329 1 149 . 1 1 16 16 PRO HG3 H 1 1.986 0.030 . 2 . . . . 16 PRO HG3 . 10329 1 150 . 1 1 16 16 PRO C C 13 174.925 0.300 . 1 . . . . 16 PRO C . 10329 1 151 . 1 1 16 16 PRO CA C 13 62.317 0.300 . 1 . . . . 16 PRO CA . 10329 1 152 . 1 1 16 16 PRO CB C 13 30.245 0.300 . 1 . . . . 16 PRO CB . 10329 1 153 . 1 1 16 16 PRO CD C 13 51.412 0.300 . 1 . . . . 16 PRO CD . 10329 1 154 . 1 1 16 16 PRO CG C 13 27.713 0.300 . 1 . . . . 16 PRO CG . 10329 1 155 . 1 1 17 17 PHE H H 1 8.254 0.030 . 1 . . . . 17 PHE H . 10329 1 156 . 1 1 17 17 PHE HA H 1 4.158 0.030 . 1 . . . . 17 PHE HA . 10329 1 157 . 1 1 17 17 PHE HB2 H 1 2.392 0.030 . 2 . . . . 17 PHE HB2 . 10329 1 158 . 1 1 17 17 PHE HB3 H 1 3.235 0.030 . 2 . . . . 17 PHE HB3 . 10329 1 159 . 1 1 17 17 PHE HD1 H 1 6.935 0.030 . 1 . . . . 17 PHE HD1 . 10329 1 160 . 1 1 17 17 PHE HD2 H 1 6.935 0.030 . 1 . . . . 17 PHE HD2 . 10329 1 161 . 1 1 17 17 PHE HE1 H 1 6.759 0.030 . 1 . . . . 17 PHE HE1 . 10329 1 162 . 1 1 17 17 PHE HE2 H 1 6.759 0.030 . 1 . . . . 17 PHE HE2 . 10329 1 163 . 1 1 17 17 PHE HZ H 1 6.573 0.030 . 1 . . . . 17 PHE HZ . 10329 1 164 . 1 1 17 17 PHE C C 13 171.812 0.300 . 1 . . . . 17 PHE C . 10329 1 165 . 1 1 17 17 PHE CA C 13 59.997 0.300 . 1 . . . . 17 PHE CA . 10329 1 166 . 1 1 17 17 PHE CB C 13 41.002 0.300 . 1 . . . . 17 PHE CB . 10329 1 167 . 1 1 17 17 PHE CD1 C 13 131.042 0.300 . 1 . . . . 17 PHE CD1 . 10329 1 168 . 1 1 17 17 PHE CD2 C 13 131.042 0.300 . 1 . . . . 17 PHE CD2 . 10329 1 169 . 1 1 17 17 PHE CE1 C 13 131.015 0.300 . 1 . . . . 17 PHE CE1 . 10329 1 170 . 1 1 17 17 PHE CE2 C 13 131.015 0.300 . 1 . . . . 17 PHE CE2 . 10329 1 171 . 1 1 17 17 PHE CZ C 13 129.791 0.300 . 1 . . . . 17 PHE CZ . 10329 1 172 . 1 1 17 17 PHE N N 15 127.566 0.300 . 1 . . . . 17 PHE N . 10329 1 173 . 1 1 18 18 ALA H H 1 7.295 0.030 . 1 . . . . 18 ALA H . 10329 1 174 . 1 1 18 18 ALA HA H 1 4.172 0.030 . 1 . . . . 18 ALA HA . 10329 1 175 . 1 1 18 18 ALA HB1 H 1 0.979 0.030 . 1 . . . . 18 ALA HB . 10329 1 176 . 1 1 18 18 ALA HB2 H 1 0.979 0.030 . 1 . . . . 18 ALA HB . 10329 1 177 . 1 1 18 18 ALA HB3 H 1 0.979 0.030 . 1 . . . . 18 ALA HB . 10329 1 178 . 1 1 18 18 ALA C C 13 174.848 0.300 . 1 . . . . 18 ALA C . 10329 1 179 . 1 1 18 18 ALA CA C 13 50.055 0.300 . 1 . . . . 18 ALA CA . 10329 1 180 . 1 1 18 18 ALA CB C 13 18.424 0.300 . 1 . . . . 18 ALA CB . 10329 1 181 . 1 1 18 18 ALA N N 15 129.481 0.300 . 1 . . . . 18 ALA N . 10329 1 182 . 1 1 19 19 VAL H H 1 8.170 0.030 . 1 . . . . 19 VAL H . 10329 1 183 . 1 1 19 19 VAL HA H 1 3.339 0.030 . 1 . . . . 19 VAL HA . 10329 1 184 . 1 1 19 19 VAL HB H 1 2.039 0.030 . 1 . . . . 19 VAL HB . 10329 1 185 . 1 1 19 19 VAL HG11 H 1 0.976 0.030 . 1 . . . . 19 VAL HG1 . 10329 1 186 . 1 1 19 19 VAL HG12 H 1 0.976 0.030 . 1 . . . . 19 VAL HG1 . 10329 1 187 . 1 1 19 19 VAL HG13 H 1 0.976 0.030 . 1 . . . . 19 VAL HG1 . 10329 1 188 . 1 1 19 19 VAL HG21 H 1 0.943 0.030 . 1 . . . . 19 VAL HG2 . 10329 1 189 . 1 1 19 19 VAL HG22 H 1 0.943 0.030 . 1 . . . . 19 VAL HG2 . 10329 1 190 . 1 1 19 19 VAL HG23 H 1 0.943 0.030 . 1 . . . . 19 VAL HG2 . 10329 1 191 . 1 1 19 19 VAL C C 13 176.721 0.300 . 1 . . . . 19 VAL C . 10329 1 192 . 1 1 19 19 VAL CA C 13 63.213 0.300 . 1 . . . . 19 VAL CA . 10329 1 193 . 1 1 19 19 VAL CB C 13 32.607 0.300 . 1 . . . . 19 VAL CB . 10329 1 194 . 1 1 19 19 VAL CG1 C 13 21.730 0.300 . 2 . . . . 19 VAL CG1 . 10329 1 195 . 1 1 19 19 VAL CG2 C 13 22.841 0.300 . 2 . . . . 19 VAL CG2 . 10329 1 196 . 1 1 19 19 VAL N N 15 123.994 0.300 . 1 . . . . 19 VAL N . 10329 1 197 . 1 1 20 20 GLN H H 1 7.483 0.030 . 1 . . . . 20 GLN H . 10329 1 198 . 1 1 20 20 GLN HA H 1 4.614 0.030 . 1 . . . . 20 GLN HA . 10329 1 199 . 1 1 20 20 GLN HB2 H 1 2.199 0.030 . 2 . . . . 20 GLN HB2 . 10329 1 200 . 1 1 20 20 GLN HB3 H 1 1.989 0.030 . 2 . . . . 20 GLN HB3 . 10329 1 201 . 1 1 20 20 GLN HE21 H 1 7.295 0.030 . 2 . . . . 20 GLN HE21 . 10329 1 202 . 1 1 20 20 GLN HE22 H 1 6.756 0.030 . 2 . . . . 20 GLN HE22 . 10329 1 203 . 1 1 20 20 GLN HG2 H 1 2.194 0.030 . 2 . . . . 20 GLN HG2 . 10329 1 204 . 1 1 20 20 GLN HG3 H 1 2.233 0.030 . 2 . . . . 20 GLN HG3 . 10329 1 205 . 1 1 20 20 GLN C C 13 175.284 0.300 . 1 . . . . 20 GLN C . 10329 1 206 . 1 1 20 20 GLN CA C 13 55.610 0.300 . 1 . . . . 20 GLN CA . 10329 1 207 . 1 1 20 20 GLN CB C 13 28.175 0.300 . 1 . . . . 20 GLN CB . 10329 1 208 . 1 1 20 20 GLN CG C 13 33.640 0.300 . 1 . . . . 20 GLN CG . 10329 1 209 . 1 1 20 20 GLN N N 15 125.851 0.300 . 1 . . . . 20 GLN N . 10329 1 210 . 1 1 20 20 GLN NE2 N 15 112.201 0.300 . 1 . . . . 20 GLN NE2 . 10329 1 211 . 1 1 21 21 LYS H H 1 8.034 0.030 . 1 . . . . 21 LYS H . 10329 1 212 . 1 1 21 21 LYS HA H 1 4.512 0.030 . 1 . . . . 21 LYS HA . 10329 1 213 . 1 1 21 21 LYS HB2 H 1 1.807 0.030 . 2 . . . . 21 LYS HB2 . 10329 1 214 . 1 1 21 21 LYS HB3 H 1 2.006 0.030 . 2 . . . . 21 LYS HB3 . 10329 1 215 . 1 1 21 21 LYS HD2 H 1 1.675 0.030 . 1 . . . . 21 LYS HD2 . 10329 1 216 . 1 1 21 21 LYS HD3 H 1 1.675 0.030 . 1 . . . . 21 LYS HD3 . 10329 1 217 . 1 1 21 21 LYS HE2 H 1 2.975 0.030 . 1 . . . . 21 LYS HE2 . 10329 1 218 . 1 1 21 21 LYS HE3 H 1 2.975 0.030 . 1 . . . . 21 LYS HE3 . 10329 1 219 . 1 1 21 21 LYS HG2 H 1 1.402 0.030 . 2 . . . . 21 LYS HG2 . 10329 1 220 . 1 1 21 21 LYS HG3 H 1 1.445 0.030 . 2 . . . . 21 LYS HG3 . 10329 1 221 . 1 1 21 21 LYS C C 13 176.484 0.300 . 1 . . . . 21 LYS C . 10329 1 222 . 1 1 21 21 LYS CA C 13 56.511 0.300 . 1 . . . . 21 LYS CA . 10329 1 223 . 1 1 21 21 LYS CB C 13 32.724 0.300 . 1 . . . . 21 LYS CB . 10329 1 224 . 1 1 21 21 LYS CD C 13 29.140 0.300 . 1 . . . . 21 LYS CD . 10329 1 225 . 1 1 21 21 LYS CE C 13 42.214 0.300 . 1 . . . . 21 LYS CE . 10329 1 226 . 1 1 21 21 LYS CG C 13 24.797 0.300 . 1 . . . . 21 LYS CG . 10329 1 227 . 1 1 21 21 LYS N N 15 117.050 0.300 . 1 . . . . 21 LYS N . 10329 1 228 . 1 1 22 22 GLY H H 1 8.173 0.030 . 1 . . . . 22 GLY H . 10329 1 229 . 1 1 22 22 GLY HA2 H 1 3.621 0.030 . 2 . . . . 22 GLY HA2 . 10329 1 230 . 1 1 22 22 GLY HA3 H 1 4.120 0.030 . 2 . . . . 22 GLY HA3 . 10329 1 231 . 1 1 22 22 GLY C C 13 172.419 0.300 . 1 . . . . 22 GLY C . 10329 1 232 . 1 1 22 22 GLY CA C 13 45.317 0.300 . 1 . . . . 22 GLY CA . 10329 1 233 . 1 1 22 22 GLY N N 15 108.999 0.300 . 1 . . . . 22 GLY N . 10329 1 234 . 1 1 23 23 GLU H H 1 8.309 0.030 . 1 . . . . 23 GLU H . 10329 1 235 . 1 1 23 23 GLU HA H 1 4.497 0.030 . 1 . . . . 23 GLU HA . 10329 1 236 . 1 1 23 23 GLU HB2 H 1 1.960 0.030 . 2 . . . . 23 GLU HB2 . 10329 1 237 . 1 1 23 23 GLU HB3 H 1 1.847 0.030 . 2 . . . . 23 GLU HB3 . 10329 1 238 . 1 1 23 23 GLU HG2 H 1 2.061 0.030 . 2 . . . . 23 GLU HG2 . 10329 1 239 . 1 1 23 23 GLU HG3 H 1 2.199 0.030 . 2 . . . . 23 GLU HG3 . 10329 1 240 . 1 1 23 23 GLU C C 13 175.943 0.300 . 1 . . . . 23 GLU C . 10329 1 241 . 1 1 23 23 GLU CA C 13 55.454 0.300 . 1 . . . . 23 GLU CA . 10329 1 242 . 1 1 23 23 GLU CB C 13 31.977 0.300 . 1 . . . . 23 GLU CB . 10329 1 243 . 1 1 23 23 GLU CG C 13 36.286 0.300 . 1 . . . . 23 GLU CG . 10329 1 244 . 1 1 23 23 GLU N N 15 118.860 0.300 . 1 . . . . 23 GLU N . 10329 1 245 . 1 1 24 24 LEU H H 1 8.974 0.030 . 1 . . . . 24 LEU H . 10329 1 246 . 1 1 24 24 LEU HA H 1 5.447 0.030 . 1 . . . . 24 LEU HA . 10329 1 247 . 1 1 24 24 LEU HB2 H 1 1.640 0.030 . 2 . . . . 24 LEU HB2 . 10329 1 248 . 1 1 24 24 LEU HB3 H 1 1.560 0.030 . 2 . . . . 24 LEU HB3 . 10329 1 249 . 1 1 24 24 LEU HD11 H 1 0.797 0.030 . 1 . . . . 24 LEU HD1 . 10329 1 250 . 1 1 24 24 LEU HD12 H 1 0.797 0.030 . 1 . . . . 24 LEU HD1 . 10329 1 251 . 1 1 24 24 LEU HD13 H 1 0.797 0.030 . 1 . . . . 24 LEU HD1 . 10329 1 252 . 1 1 24 24 LEU HD21 H 1 0.830 0.030 . 1 . . . . 24 LEU HD2 . 10329 1 253 . 1 1 24 24 LEU HD22 H 1 0.830 0.030 . 1 . . . . 24 LEU HD2 . 10329 1 254 . 1 1 24 24 LEU HD23 H 1 0.830 0.030 . 1 . . . . 24 LEU HD2 . 10329 1 255 . 1 1 24 24 LEU HG H 1 1.605 0.030 . 1 . . . . 24 LEU HG . 10329 1 256 . 1 1 24 24 LEU C C 13 176.677 0.300 . 1 . . . . 24 LEU C . 10329 1 257 . 1 1 24 24 LEU CA C 13 53.894 0.300 . 1 . . . . 24 LEU CA . 10329 1 258 . 1 1 24 24 LEU CB C 13 44.400 0.300 . 1 . . . . 24 LEU CB . 10329 1 259 . 1 1 24 24 LEU CD1 C 13 25.454 0.300 . 2 . . . . 24 LEU CD1 . 10329 1 260 . 1 1 24 24 LEU CD2 C 13 25.581 0.300 . 2 . . . . 24 LEU CD2 . 10329 1 261 . 1 1 24 24 LEU CG C 13 27.271 0.300 . 1 . . . . 24 LEU CG . 10329 1 262 . 1 1 24 24 LEU N N 15 129.661 0.300 . 1 . . . . 24 LEU N . 10329 1 263 . 1 1 25 25 THR H H 1 9.192 0.030 . 1 . . . . 25 THR H . 10329 1 264 . 1 1 25 25 THR HA H 1 4.682 0.030 . 1 . . . . 25 THR HA . 10329 1 265 . 1 1 25 25 THR HB H 1 4.114 0.030 . 1 . . . . 25 THR HB . 10329 1 266 . 1 1 25 25 THR HG21 H 1 1.065 0.030 . 1 . . . . 25 THR HG2 . 10329 1 267 . 1 1 25 25 THR HG22 H 1 1.065 0.030 . 1 . . . . 25 THR HG2 . 10329 1 268 . 1 1 25 25 THR HG23 H 1 1.065 0.030 . 1 . . . . 25 THR HG2 . 10329 1 269 . 1 1 25 25 THR C C 13 172.746 0.300 . 1 . . . . 25 THR C . 10329 1 270 . 1 1 25 25 THR CA C 13 59.943 0.300 . 1 . . . . 25 THR CA . 10329 1 271 . 1 1 25 25 THR CB C 13 72.330 0.300 . 1 . . . . 25 THR CB . 10329 1 272 . 1 1 25 25 THR CG2 C 13 21.728 0.300 . 1 . . . . 25 THR CG2 . 10329 1 273 . 1 1 25 25 THR N N 15 115.969 0.300 . 1 . . . . 25 THR N . 10329 1 274 . 1 1 26 26 GLY H H 1 8.458 0.030 . 1 . . . . 26 GLY H . 10329 1 275 . 1 1 26 26 GLY HA2 H 1 5.194 0.030 . 2 . . . . 26 GLY HA2 . 10329 1 276 . 1 1 26 26 GLY HA3 H 1 3.384 0.030 . 2 . . . . 26 GLY HA3 . 10329 1 277 . 1 1 26 26 GLY C C 13 172.139 0.300 . 1 . . . . 26 GLY C . 10329 1 278 . 1 1 26 26 GLY CA C 13 45.138 0.300 . 1 . . . . 26 GLY CA . 10329 1 279 . 1 1 26 26 GLY N N 15 106.766 0.300 . 1 . . . . 26 GLY N . 10329 1 280 . 1 1 27 27 GLU H H 1 8.749 0.030 . 1 . . . . 27 GLU H . 10329 1 281 . 1 1 27 27 GLU HA H 1 4.742 0.030 . 1 . . . . 27 GLU HA . 10329 1 282 . 1 1 27 27 GLU HB2 H 1 1.960 0.030 . 1 . . . . 27 GLU HB2 . 10329 1 283 . 1 1 27 27 GLU HB3 H 1 1.960 0.030 . 1 . . . . 27 GLU HB3 . 10329 1 284 . 1 1 27 27 GLU HG2 H 1 2.126 0.030 . 2 . . . . 27 GLU HG2 . 10329 1 285 . 1 1 27 27 GLU HG3 H 1 1.982 0.030 . 2 . . . . 27 GLU HG3 . 10329 1 286 . 1 1 27 27 GLU C C 13 173.951 0.300 . 1 . . . . 27 GLU C . 10329 1 287 . 1 1 27 27 GLU CA C 13 56.428 0.300 . 1 . . . . 27 GLU CA . 10329 1 288 . 1 1 27 27 GLU CB C 13 34.398 0.300 . 1 . . . . 27 GLU CB . 10329 1 289 . 1 1 27 27 GLU CG C 13 37.106 0.300 . 1 . . . . 27 GLU CG . 10329 1 290 . 1 1 27 27 GLU N N 15 118.940 0.300 . 1 . . . . 27 GLU N . 10329 1 291 . 1 1 28 28 VAL H H 1 9.222 0.030 . 1 . . . . 28 VAL H . 10329 1 292 . 1 1 28 28 VAL HA H 1 4.870 0.030 . 1 . . . . 28 VAL HA . 10329 1 293 . 1 1 28 28 VAL HB H 1 1.441 0.030 . 1 . . . . 28 VAL HB . 10329 1 294 . 1 1 28 28 VAL HG11 H 1 0.519 0.030 . 1 . . . . 28 VAL HG1 . 10329 1 295 . 1 1 28 28 VAL HG12 H 1 0.519 0.030 . 1 . . . . 28 VAL HG1 . 10329 1 296 . 1 1 28 28 VAL HG13 H 1 0.519 0.030 . 1 . . . . 28 VAL HG1 . 10329 1 297 . 1 1 28 28 VAL HG21 H 1 0.244 0.030 . 1 . . . . 28 VAL HG2 . 10329 1 298 . 1 1 28 28 VAL HG22 H 1 0.244 0.030 . 1 . . . . 28 VAL HG2 . 10329 1 299 . 1 1 28 28 VAL HG23 H 1 0.244 0.030 . 1 . . . . 28 VAL HG2 . 10329 1 300 . 1 1 28 28 VAL C C 13 173.888 0.300 . 1 . . . . 28 VAL C . 10329 1 301 . 1 1 28 28 VAL CA C 13 60.345 0.300 . 1 . . . . 28 VAL CA . 10329 1 302 . 1 1 28 28 VAL CB C 13 34.322 0.300 . 1 . . . . 28 VAL CB . 10329 1 303 . 1 1 28 28 VAL CG1 C 13 21.571 0.300 . 2 . . . . 28 VAL CG1 . 10329 1 304 . 1 1 28 28 VAL CG2 C 13 22.024 0.300 . 2 . . . . 28 VAL CG2 . 10329 1 305 . 1 1 28 28 VAL N N 15 126.589 0.300 . 1 . . . . 28 VAL N . 10329 1 306 . 1 1 29 29 ARG H H 1 9.098 0.030 . 1 . . . . 29 ARG H . 10329 1 307 . 1 1 29 29 ARG HA H 1 4.779 0.030 . 1 . . . . 29 ARG HA . 10329 1 308 . 1 1 29 29 ARG HB2 H 1 1.625 0.030 . 2 . . . . 29 ARG HB2 . 10329 1 309 . 1 1 29 29 ARG HB3 H 1 1.707 0.030 . 2 . . . . 29 ARG HB3 . 10329 1 310 . 1 1 29 29 ARG HD2 H 1 3.065 0.030 . 1 . . . . 29 ARG HD2 . 10329 1 311 . 1 1 29 29 ARG HD3 H 1 3.065 0.030 . 1 . . . . 29 ARG HD3 . 10329 1 312 . 1 1 29 29 ARG HG2 H 1 1.454 0.030 . 1 . . . . 29 ARG HG2 . 10329 1 313 . 1 1 29 29 ARG HG3 H 1 1.454 0.030 . 1 . . . . 29 ARG HG3 . 10329 1 314 . 1 1 29 29 ARG C C 13 175.311 0.300 . 1 . . . . 29 ARG C . 10329 1 315 . 1 1 29 29 ARG CA C 13 54.895 0.300 . 1 . . . . 29 ARG CA . 10329 1 316 . 1 1 29 29 ARG CB C 13 31.768 0.300 . 1 . . . . 29 ARG CB . 10329 1 317 . 1 1 29 29 ARG CD C 13 43.083 0.300 . 1 . . . . 29 ARG CD . 10329 1 318 . 1 1 29 29 ARG CG C 13 27.285 0.300 . 1 . . . . 29 ARG CG . 10329 1 319 . 1 1 29 29 ARG N N 15 127.027 0.300 . 1 . . . . 29 ARG N . 10329 1 320 . 1 1 30 30 MET H H 1 8.437 0.030 . 1 . . . . 30 MET H . 10329 1 321 . 1 1 30 30 MET HA H 1 4.034 0.030 . 1 . . . . 30 MET HA . 10329 1 322 . 1 1 30 30 MET HB2 H 1 2.544 0.030 . 2 . . . . 30 MET HB2 . 10329 1 323 . 1 1 30 30 MET HB3 H 1 2.210 0.030 . 2 . . . . 30 MET HB3 . 10329 1 324 . 1 1 30 30 MET HE1 H 1 1.923 0.030 . 1 . . . . 30 MET HE . 10329 1 325 . 1 1 30 30 MET HE2 H 1 1.923 0.030 . 1 . . . . 30 MET HE . 10329 1 326 . 1 1 30 30 MET HE3 H 1 1.923 0.030 . 1 . . . . 30 MET HE . 10329 1 327 . 1 1 30 30 MET HG2 H 1 1.688 0.030 . 1 . . . . 30 MET HG2 . 10329 1 328 . 1 1 30 30 MET HG3 H 1 1.688 0.030 . 1 . . . . 30 MET HG3 . 10329 1 329 . 1 1 30 30 MET C C 13 174.746 0.300 . 1 . . . . 30 MET C . 10329 1 330 . 1 1 30 30 MET CA C 13 53.946 0.300 . 1 . . . . 30 MET CA . 10329 1 331 . 1 1 30 30 MET CB C 13 32.105 0.300 . 1 . . . . 30 MET CB . 10329 1 332 . 1 1 30 30 MET CE C 13 18.572 0.300 . 1 . . . . 30 MET CE . 10329 1 333 . 1 1 30 30 MET CG C 13 32.598 0.300 . 1 . . . . 30 MET CG . 10329 1 334 . 1 1 30 30 MET N N 15 125.068 0.300 . 1 . . . . 30 MET N . 10329 1 335 . 1 1 31 31 PRO HA H 1 4.124 0.030 . 1 . . . . 31 PRO HA . 10329 1 336 . 1 1 31 31 PRO HB2 H 1 1.926 0.030 . 2 . . . . 31 PRO HB2 . 10329 1 337 . 1 1 31 31 PRO HB3 H 1 2.324 0.030 . 2 . . . . 31 PRO HB3 . 10329 1 338 . 1 1 31 31 PRO HD2 H 1 3.175 0.030 . 2 . . . . 31 PRO HD2 . 10329 1 339 . 1 1 31 31 PRO HD3 H 1 1.817 0.030 . 2 . . . . 31 PRO HD3 . 10329 1 340 . 1 1 31 31 PRO HG2 H 1 2.172 0.030 . 2 . . . . 31 PRO HG2 . 10329 1 341 . 1 1 31 31 PRO HG3 H 1 1.807 0.030 . 2 . . . . 31 PRO HG3 . 10329 1 342 . 1 1 31 31 PRO C C 13 178.038 0.300 . 1 . . . . 31 PRO C . 10329 1 343 . 1 1 31 31 PRO CA C 13 66.135 0.300 . 1 . . . . 31 PRO CA . 10329 1 344 . 1 1 31 31 PRO CB C 13 31.345 0.300 . 1 . . . . 31 PRO CB . 10329 1 345 . 1 1 31 31 PRO CD C 13 49.410 0.300 . 1 . . . . 31 PRO CD . 10329 1 346 . 1 1 31 31 PRO CG C 13 26.536 0.300 . 1 . . . . 31 PRO CG . 10329 1 347 . 1 1 32 32 SER H H 1 8.786 0.030 . 1 . . . . 32 SER H . 10329 1 348 . 1 1 32 32 SER HA H 1 4.079 0.030 . 1 . . . . 32 SER HA . 10329 1 349 . 1 1 32 32 SER HB2 H 1 4.021 0.030 . 2 . . . . 32 SER HB2 . 10329 1 350 . 1 1 32 32 SER HB3 H 1 3.896 0.030 . 2 . . . . 32 SER HB3 . 10329 1 351 . 1 1 32 32 SER C C 13 176.326 0.300 . 1 . . . . 32 SER C . 10329 1 352 . 1 1 32 32 SER CA C 13 59.762 0.300 . 1 . . . . 32 SER CA . 10329 1 353 . 1 1 32 32 SER CB C 13 62.670 0.300 . 1 . . . . 32 SER CB . 10329 1 354 . 1 1 32 32 SER N N 15 110.933 0.300 . 1 . . . . 32 SER N . 10329 1 355 . 1 1 33 33 GLY H H 1 8.392 0.030 . 1 . . . . 33 GLY H . 10329 1 356 . 1 1 33 33 GLY HA2 H 1 3.416 0.030 . 2 . . . . 33 GLY HA2 . 10329 1 357 . 1 1 33 33 GLY HA3 H 1 4.448 0.030 . 2 . . . . 33 GLY HA3 . 10329 1 358 . 1 1 33 33 GLY C C 13 174.211 0.300 . 1 . . . . 33 GLY C . 10329 1 359 . 1 1 33 33 GLY CA C 13 44.510 0.300 . 1 . . . . 33 GLY CA . 10329 1 360 . 1 1 33 33 GLY N N 15 111.551 0.300 . 1 . . . . 33 GLY N . 10329 1 361 . 1 1 34 34 LYS H H 1 7.135 0.030 . 1 . . . . 34 LYS H . 10329 1 362 . 1 1 34 34 LYS HA H 1 4.260 0.030 . 1 . . . . 34 LYS HA . 10329 1 363 . 1 1 34 34 LYS HB2 H 1 1.914 0.030 . 2 . . . . 34 LYS HB2 . 10329 1 364 . 1 1 34 34 LYS HB3 H 1 1.745 0.030 . 2 . . . . 34 LYS HB3 . 10329 1 365 . 1 1 34 34 LYS HD2 H 1 1.647 0.030 . 2 . . . . 34 LYS HD2 . 10329 1 366 . 1 1 34 34 LYS HD3 H 1 1.705 0.030 . 2 . . . . 34 LYS HD3 . 10329 1 367 . 1 1 34 34 LYS HE2 H 1 2.977 0.030 . 1 . . . . 34 LYS HE2 . 10329 1 368 . 1 1 34 34 LYS HE3 H 1 2.977 0.030 . 1 . . . . 34 LYS HE3 . 10329 1 369 . 1 1 34 34 LYS HG2 H 1 1.443 0.030 . 2 . . . . 34 LYS HG2 . 10329 1 370 . 1 1 34 34 LYS HG3 H 1 1.541 0.030 . 2 . . . . 34 LYS HG3 . 10329 1 371 . 1 1 34 34 LYS C C 13 175.228 0.300 . 1 . . . . 34 LYS C . 10329 1 372 . 1 1 34 34 LYS CA C 13 57.281 0.300 . 1 . . . . 34 LYS CA . 10329 1 373 . 1 1 34 34 LYS CB C 13 33.514 0.300 . 1 . . . . 34 LYS CB . 10329 1 374 . 1 1 34 34 LYS CD C 13 29.195 0.300 . 1 . . . . 34 LYS CD . 10329 1 375 . 1 1 34 34 LYS CE C 13 42.195 0.300 . 1 . . . . 34 LYS CE . 10329 1 376 . 1 1 34 34 LYS CG C 13 25.758 0.300 . 1 . . . . 34 LYS CG . 10329 1 377 . 1 1 34 34 LYS N N 15 120.415 0.300 . 1 . . . . 34 LYS N . 10329 1 378 . 1 1 35 35 THR H H 1 8.176 0.030 . 1 . . . . 35 THR H . 10329 1 379 . 1 1 35 35 THR HA H 1 5.678 0.030 . 1 . . . . 35 THR HA . 10329 1 380 . 1 1 35 35 THR HB H 1 4.127 0.030 . 1 . . . . 35 THR HB . 10329 1 381 . 1 1 35 35 THR HG21 H 1 1.116 0.030 . 1 . . . . 35 THR HG2 . 10329 1 382 . 1 1 35 35 THR HG22 H 1 1.116 0.030 . 1 . . . . 35 THR HG2 . 10329 1 383 . 1 1 35 35 THR HG23 H 1 1.116 0.030 . 1 . . . . 35 THR HG2 . 10329 1 384 . 1 1 35 35 THR C C 13 174.338 0.300 . 1 . . . . 35 THR C . 10329 1 385 . 1 1 35 35 THR CA C 13 59.407 0.300 . 1 . . . . 35 THR CA . 10329 1 386 . 1 1 35 35 THR CB C 13 72.240 0.300 . 1 . . . . 35 THR CB . 10329 1 387 . 1 1 35 35 THR CG2 C 13 21.482 0.300 . 1 . . . . 35 THR CG2 . 10329 1 388 . 1 1 35 35 THR N N 15 110.648 0.300 . 1 . . . . 35 THR N . 10329 1 389 . 1 1 36 36 ALA H H 1 8.850 0.030 . 1 . . . . 36 ALA H . 10329 1 390 . 1 1 36 36 ALA HA H 1 4.747 0.030 . 1 . . . . 36 ALA HA . 10329 1 391 . 1 1 36 36 ALA HB1 H 1 1.509 0.030 . 1 . . . . 36 ALA HB . 10329 1 392 . 1 1 36 36 ALA HB2 H 1 1.509 0.030 . 1 . . . . 36 ALA HB . 10329 1 393 . 1 1 36 36 ALA HB3 H 1 1.509 0.030 . 1 . . . . 36 ALA HB . 10329 1 394 . 1 1 36 36 ALA C C 13 175.597 0.300 . 1 . . . . 36 ALA C . 10329 1 395 . 1 1 36 36 ALA CA C 13 50.833 0.300 . 1 . . . . 36 ALA CA . 10329 1 396 . 1 1 36 36 ALA CB C 13 23.986 0.300 . 1 . . . . 36 ALA CB . 10329 1 397 . 1 1 36 36 ALA N N 15 122.882 0.300 . 1 . . . . 36 ALA N . 10329 1 398 . 1 1 37 37 ARG H H 1 8.927 0.030 . 1 . . . . 37 ARG H . 10329 1 399 . 1 1 37 37 ARG HA H 1 5.001 0.030 . 1 . . . . 37 ARG HA . 10329 1 400 . 1 1 37 37 ARG HB2 H 1 1.884 0.030 . 2 . . . . 37 ARG HB2 . 10329 1 401 . 1 1 37 37 ARG HB3 H 1 1.960 0.030 . 2 . . . . 37 ARG HB3 . 10329 1 402 . 1 1 37 37 ARG HD2 H 1 3.347 0.030 . 2 . . . . 37 ARG HD2 . 10329 1 403 . 1 1 37 37 ARG HD3 H 1 3.383 0.030 . 2 . . . . 37 ARG HD3 . 10329 1 404 . 1 1 37 37 ARG HG2 H 1 1.865 0.030 . 2 . . . . 37 ARG HG2 . 10329 1 405 . 1 1 37 37 ARG HG3 H 1 1.904 0.030 . 2 . . . . 37 ARG HG3 . 10329 1 406 . 1 1 37 37 ARG C C 13 175.052 0.300 . 1 . . . . 37 ARG C . 10329 1 407 . 1 1 37 37 ARG CA C 13 53.098 0.300 . 1 . . . . 37 ARG CA . 10329 1 408 . 1 1 37 37 ARG CB C 13 31.341 0.300 . 1 . . . . 37 ARG CB . 10329 1 409 . 1 1 37 37 ARG CD C 13 43.696 0.300 . 1 . . . . 37 ARG CD . 10329 1 410 . 1 1 37 37 ARG CG C 13 27.003 0.300 . 1 . . . . 37 ARG CG . 10329 1 411 . 1 1 37 37 ARG N N 15 120.574 0.300 . 1 . . . . 37 ARG N . 10329 1 412 . 1 1 38 38 PRO HA H 1 5.008 0.030 . 1 . . . . 38 PRO HA . 10329 1 413 . 1 1 38 38 PRO HB2 H 1 1.746 0.030 . 2 . . . . 38 PRO HB2 . 10329 1 414 . 1 1 38 38 PRO HB3 H 1 2.000 0.030 . 2 . . . . 38 PRO HB3 . 10329 1 415 . 1 1 38 38 PRO HD2 H 1 3.738 0.030 . 2 . . . . 38 PRO HD2 . 10329 1 416 . 1 1 38 38 PRO HD3 H 1 3.452 0.030 . 2 . . . . 38 PRO HD3 . 10329 1 417 . 1 1 38 38 PRO HG2 H 1 1.744 0.030 . 1 . . . . 38 PRO HG2 . 10329 1 418 . 1 1 38 38 PRO HG3 H 1 1.744 0.030 . 1 . . . . 38 PRO HG3 . 10329 1 419 . 1 1 38 38 PRO C C 13 173.529 0.300 . 1 . . . . 38 PRO C . 10329 1 420 . 1 1 38 38 PRO CA C 13 61.805 0.300 . 1 . . . . 38 PRO CA . 10329 1 421 . 1 1 38 38 PRO CB C 13 32.530 0.300 . 1 . . . . 38 PRO CB . 10329 1 422 . 1 1 38 38 PRO CD C 13 48.917 0.300 . 1 . . . . 38 PRO CD . 10329 1 423 . 1 1 38 38 PRO CG C 13 25.824 0.300 . 1 . . . . 38 PRO CG . 10329 1 424 . 1 1 39 39 ASN H H 1 8.871 0.030 . 1 . . . . 39 ASN H . 10329 1 425 . 1 1 39 39 ASN HA H 1 4.950 0.030 . 1 . . . . 39 ASN HA . 10329 1 426 . 1 1 39 39 ASN HB2 H 1 2.813 0.030 . 2 . . . . 39 ASN HB2 . 10329 1 427 . 1 1 39 39 ASN HB3 H 1 2.749 0.030 . 2 . . . . 39 ASN HB3 . 10329 1 428 . 1 1 39 39 ASN HD21 H 1 6.995 0.030 . 2 . . . . 39 ASN HD21 . 10329 1 429 . 1 1 39 39 ASN HD22 H 1 7.549 0.030 . 2 . . . . 39 ASN HD22 . 10329 1 430 . 1 1 39 39 ASN C C 13 174.562 0.300 . 1 . . . . 39 ASN C . 10329 1 431 . 1 1 39 39 ASN CA C 13 53.585 0.300 . 1 . . . . 39 ASN CA . 10329 1 432 . 1 1 39 39 ASN CB C 13 40.443 0.300 . 1 . . . . 39 ASN CB . 10329 1 433 . 1 1 39 39 ASN N N 15 118.535 0.300 . 1 . . . . 39 ASN N . 10329 1 434 . 1 1 39 39 ASN ND2 N 15 113.047 0.300 . 1 . . . . 39 ASN ND2 . 10329 1 435 . 1 1 40 40 ILE H H 1 8.864 0.030 . 1 . . . . 40 ILE H . 10329 1 436 . 1 1 40 40 ILE HA H 1 4.834 0.030 . 1 . . . . 40 ILE HA . 10329 1 437 . 1 1 40 40 ILE HB H 1 1.723 0.030 . 1 . . . . 40 ILE HB . 10329 1 438 . 1 1 40 40 ILE HD11 H 1 0.661 0.030 . 1 . . . . 40 ILE HD1 . 10329 1 439 . 1 1 40 40 ILE HD12 H 1 0.661 0.030 . 1 . . . . 40 ILE HD1 . 10329 1 440 . 1 1 40 40 ILE HD13 H 1 0.661 0.030 . 1 . . . . 40 ILE HD1 . 10329 1 441 . 1 1 40 40 ILE HG12 H 1 1.530 0.030 . 2 . . . . 40 ILE HG12 . 10329 1 442 . 1 1 40 40 ILE HG13 H 1 0.755 0.030 . 2 . . . . 40 ILE HG13 . 10329 1 443 . 1 1 40 40 ILE HG21 H 1 0.739 0.030 . 1 . . . . 40 ILE HG2 . 10329 1 444 . 1 1 40 40 ILE HG22 H 1 0.739 0.030 . 1 . . . . 40 ILE HG2 . 10329 1 445 . 1 1 40 40 ILE HG23 H 1 0.739 0.030 . 1 . . . . 40 ILE HG2 . 10329 1 446 . 1 1 40 40 ILE C C 13 175.332 0.300 . 1 . . . . 40 ILE C . 10329 1 447 . 1 1 40 40 ILE CA C 13 61.095 0.300 . 1 . . . . 40 ILE CA . 10329 1 448 . 1 1 40 40 ILE CB C 13 40.044 0.300 . 1 . . . . 40 ILE CB . 10329 1 449 . 1 1 40 40 ILE CD1 C 13 13.858 0.300 . 1 . . . . 40 ILE CD1 . 10329 1 450 . 1 1 40 40 ILE CG1 C 13 27.713 0.300 . 1 . . . . 40 ILE CG1 . 10329 1 451 . 1 1 40 40 ILE CG2 C 13 18.532 0.300 . 1 . . . . 40 ILE CG2 . 10329 1 452 . 1 1 40 40 ILE N N 15 126.708 0.300 . 1 . . . . 40 ILE N . 10329 1 453 . 1 1 41 41 THR H H 1 9.172 0.030 . 1 . . . . 41 THR H . 10329 1 454 . 1 1 41 41 THR HA H 1 4.532 0.030 . 1 . . . . 41 THR HA . 10329 1 455 . 1 1 41 41 THR HB H 1 3.860 0.030 . 1 . . . . 41 THR HB . 10329 1 456 . 1 1 41 41 THR HG21 H 1 1.122 0.030 . 1 . . . . 41 THR HG2 . 10329 1 457 . 1 1 41 41 THR HG22 H 1 1.122 0.030 . 1 . . . . 41 THR HG2 . 10329 1 458 . 1 1 41 41 THR HG23 H 1 1.122 0.030 . 1 . . . . 41 THR HG2 . 10329 1 459 . 1 1 41 41 THR C C 13 172.741 0.300 . 1 . . . . 41 THR C . 10329 1 460 . 1 1 41 41 THR CA C 13 61.381 0.300 . 1 . . . . 41 THR CA . 10329 1 461 . 1 1 41 41 THR CB C 13 71.743 0.300 . 1 . . . . 41 THR CB . 10329 1 462 . 1 1 41 41 THR CG2 C 13 21.489 0.300 . 1 . . . . 41 THR CG2 . 10329 1 463 . 1 1 41 41 THR N N 15 124.210 0.300 . 1 . . . . 41 THR N . 10329 1 464 . 1 1 42 42 ASP H H 1 8.931 0.030 . 1 . . . . 42 ASP H . 10329 1 465 . 1 1 42 42 ASP HA H 1 4.784 0.030 . 1 . . . . 42 ASP HA . 10329 1 466 . 1 1 42 42 ASP HB2 H 1 2.588 0.030 . 2 . . . . 42 ASP HB2 . 10329 1 467 . 1 1 42 42 ASP HB3 H 1 2.897 0.030 . 2 . . . . 42 ASP HB3 . 10329 1 468 . 1 1 42 42 ASP C C 13 176.388 0.300 . 1 . . . . 42 ASP C . 10329 1 469 . 1 1 42 42 ASP CA C 13 53.364 0.300 . 1 . . . . 42 ASP CA . 10329 1 470 . 1 1 42 42 ASP CB C 13 40.782 0.300 . 1 . . . . 42 ASP CB . 10329 1 471 . 1 1 42 42 ASP N N 15 125.194 0.300 . 1 . . . . 42 ASP N . 10329 1 472 . 1 1 43 43 ASN H H 1 8.314 0.030 . 1 . . . . 43 ASN H . 10329 1 473 . 1 1 43 43 ASN HA H 1 4.601 0.030 . 1 . . . . 43 ASN HA . 10329 1 474 . 1 1 43 43 ASN HB2 H 1 2.614 0.030 . 2 . . . . 43 ASN HB2 . 10329 1 475 . 1 1 43 43 ASN HB3 H 1 2.975 0.030 . 2 . . . . 43 ASN HB3 . 10329 1 476 . 1 1 43 43 ASN HD21 H 1 7.605 0.030 . 2 . . . . 43 ASN HD21 . 10329 1 477 . 1 1 43 43 ASN HD22 H 1 7.937 0.030 . 2 . . . . 43 ASN HD22 . 10329 1 478 . 1 1 43 43 ASN C C 13 175.906 0.300 . 1 . . . . 43 ASN C . 10329 1 479 . 1 1 43 43 ASN CA C 13 54.419 0.300 . 1 . . . . 43 ASN CA . 10329 1 480 . 1 1 43 43 ASN CB C 13 38.429 0.300 . 1 . . . . 43 ASN CB . 10329 1 481 . 1 1 43 43 ASN N N 15 124.732 0.300 . 1 . . . . 43 ASN N . 10329 1 482 . 1 1 43 43 ASN ND2 N 15 116.640 0.300 . 1 . . . . 43 ASN ND2 . 10329 1 483 . 1 1 44 44 LYS H H 1 9.161 0.030 . 1 . . . . 44 LYS H . 10329 1 484 . 1 1 44 44 LYS HA H 1 4.067 0.030 . 1 . . . . 44 LYS HA . 10329 1 485 . 1 1 44 44 LYS HB2 H 1 2.001 0.030 . 2 . . . . 44 LYS HB2 . 10329 1 486 . 1 1 44 44 LYS HB3 H 1 2.125 0.030 . 2 . . . . 44 LYS HB3 . 10329 1 487 . 1 1 44 44 LYS HD2 H 1 1.692 0.030 . 2 . . . . 44 LYS HD2 . 10329 1 488 . 1 1 44 44 LYS HD3 H 1 1.591 0.030 . 2 . . . . 44 LYS HD3 . 10329 1 489 . 1 1 44 44 LYS HE2 H 1 2.976 0.030 . 1 . . . . 44 LYS HE2 . 10329 1 490 . 1 1 44 44 LYS HE3 H 1 2.976 0.030 . 1 . . . . 44 LYS HE3 . 10329 1 491 . 1 1 44 44 LYS HG2 H 1 1.244 0.030 . 2 . . . . 44 LYS HG2 . 10329 1 492 . 1 1 44 44 LYS HG3 H 1 1.288 0.030 . 2 . . . . 44 LYS HG3 . 10329 1 493 . 1 1 44 44 LYS C C 13 175.085 0.300 . 1 . . . . 44 LYS C . 10329 1 494 . 1 1 44 44 LYS CA C 13 57.879 0.300 . 1 . . . . 44 LYS CA . 10329 1 495 . 1 1 44 44 LYS CB C 13 28.534 0.300 . 1 . . . . 44 LYS CB . 10329 1 496 . 1 1 44 44 LYS CD C 13 28.707 0.300 . 1 . . . . 44 LYS CD . 10329 1 497 . 1 1 44 44 LYS CE C 13 42.293 0.300 . 1 . . . . 44 LYS CE . 10329 1 498 . 1 1 44 44 LYS CG C 13 24.887 0.300 . 1 . . . . 44 LYS CG . 10329 1 499 . 1 1 44 44 LYS N N 15 113.660 0.300 . 1 . . . . 44 LYS N . 10329 1 500 . 1 1 45 45 ASP H H 1 7.841 0.030 . 1 . . . . 45 ASP H . 10329 1 501 . 1 1 45 45 ASP HA H 1 4.739 0.030 . 1 . . . . 45 ASP HA . 10329 1 502 . 1 1 45 45 ASP HB2 H 1 2.336 0.030 . 2 . . . . 45 ASP HB2 . 10329 1 503 . 1 1 45 45 ASP HB3 H 1 2.996 0.030 . 2 . . . . 45 ASP HB3 . 10329 1 504 . 1 1 45 45 ASP C C 13 177.502 0.300 . 1 . . . . 45 ASP C . 10329 1 505 . 1 1 45 45 ASP CA C 13 52.026 0.300 . 1 . . . . 45 ASP CA . 10329 1 506 . 1 1 45 45 ASP CB C 13 41.111 0.300 . 1 . . . . 45 ASP CB . 10329 1 507 . 1 1 45 45 ASP N N 15 118.349 0.300 . 1 . . . . 45 ASP N . 10329 1 508 . 1 1 46 46 GLY H H 1 8.845 0.030 . 1 . . . . 46 GLY H . 10329 1 509 . 1 1 46 46 GLY HA2 H 1 3.413 0.030 . 2 . . . . 46 GLY HA2 . 10329 1 510 . 1 1 46 46 GLY HA3 H 1 4.295 0.030 . 2 . . . . 46 GLY HA3 . 10329 1 511 . 1 1 46 46 GLY C C 13 173.838 0.300 . 1 . . . . 46 GLY C . 10329 1 512 . 1 1 46 46 GLY CA C 13 44.732 0.300 . 1 . . . . 46 GLY CA . 10329 1 513 . 1 1 46 46 GLY N N 15 108.037 0.300 . 1 . . . . 46 GLY N . 10329 1 514 . 1 1 47 47 THR H H 1 7.972 0.030 . 1 . . . . 47 THR H . 10329 1 515 . 1 1 47 47 THR HA H 1 5.314 0.030 . 1 . . . . 47 THR HA . 10329 1 516 . 1 1 47 47 THR HB H 1 3.999 0.030 . 1 . . . . 47 THR HB . 10329 1 517 . 1 1 47 47 THR HG21 H 1 0.900 0.030 . 1 . . . . 47 THR HG2 . 10329 1 518 . 1 1 47 47 THR HG22 H 1 0.900 0.030 . 1 . . . . 47 THR HG2 . 10329 1 519 . 1 1 47 47 THR HG23 H 1 0.900 0.030 . 1 . . . . 47 THR HG2 . 10329 1 520 . 1 1 47 47 THR C C 13 173.328 0.300 . 1 . . . . 47 THR C . 10329 1 521 . 1 1 47 47 THR CA C 13 60.210 0.300 . 1 . . . . 47 THR CA . 10329 1 522 . 1 1 47 47 THR CB C 13 73.917 0.300 . 1 . . . . 47 THR CB . 10329 1 523 . 1 1 47 47 THR CG2 C 13 21.004 0.300 . 1 . . . . 47 THR CG2 . 10329 1 524 . 1 1 47 47 THR N N 15 110.213 0.300 . 1 . . . . 47 THR N . 10329 1 525 . 1 1 48 48 ILE H H 1 8.833 0.030 . 1 . . . . 48 ILE H . 10329 1 526 . 1 1 48 48 ILE HA H 1 5.266 0.030 . 1 . . . . 48 ILE HA . 10329 1 527 . 1 1 48 48 ILE HB H 1 1.747 0.030 . 1 . . . . 48 ILE HB . 10329 1 528 . 1 1 48 48 ILE HD11 H 1 0.605 0.030 . 1 . . . . 48 ILE HD1 . 10329 1 529 . 1 1 48 48 ILE HD12 H 1 0.605 0.030 . 1 . . . . 48 ILE HD1 . 10329 1 530 . 1 1 48 48 ILE HD13 H 1 0.605 0.030 . 1 . . . . 48 ILE HD1 . 10329 1 531 . 1 1 48 48 ILE HG12 H 1 1.272 0.030 . 2 . . . . 48 ILE HG12 . 10329 1 532 . 1 1 48 48 ILE HG13 H 1 1.385 0.030 . 2 . . . . 48 ILE HG13 . 10329 1 533 . 1 1 48 48 ILE HG21 H 1 1.017 0.030 . 1 . . . . 48 ILE HG2 . 10329 1 534 . 1 1 48 48 ILE HG22 H 1 1.017 0.030 . 1 . . . . 48 ILE HG2 . 10329 1 535 . 1 1 48 48 ILE HG23 H 1 1.017 0.030 . 1 . . . . 48 ILE HG2 . 10329 1 536 . 1 1 48 48 ILE C C 13 174.488 0.300 . 1 . . . . 48 ILE C . 10329 1 537 . 1 1 48 48 ILE CA C 13 59.332 0.300 . 1 . . . . 48 ILE CA . 10329 1 538 . 1 1 48 48 ILE CB C 13 41.380 0.300 . 1 . . . . 48 ILE CB . 10329 1 539 . 1 1 48 48 ILE CD1 C 13 13.802 0.300 . 1 . . . . 48 ILE CD1 . 10329 1 540 . 1 1 48 48 ILE CG1 C 13 26.230 0.300 . 1 . . . . 48 ILE CG1 . 10329 1 541 . 1 1 48 48 ILE CG2 C 13 18.125 0.300 . 1 . . . . 48 ILE CG2 . 10329 1 542 . 1 1 48 48 ILE N N 15 112.936 0.300 . 1 . . . . 48 ILE N . 10329 1 543 . 1 1 49 49 THR H H 1 9.162 0.030 . 1 . . . . 49 THR H . 10329 1 544 . 1 1 49 49 THR HA H 1 5.227 0.030 . 1 . . . . 49 THR HA . 10329 1 545 . 1 1 49 49 THR HB H 1 3.920 0.030 . 1 . . . . 49 THR HB . 10329 1 546 . 1 1 49 49 THR HG21 H 1 1.025 0.030 . 1 . . . . 49 THR HG2 . 10329 1 547 . 1 1 49 49 THR HG22 H 1 1.025 0.030 . 1 . . . . 49 THR HG2 . 10329 1 548 . 1 1 49 49 THR HG23 H 1 1.025 0.030 . 1 . . . . 49 THR HG2 . 10329 1 549 . 1 1 49 49 THR C C 13 173.865 0.300 . 1 . . . . 49 THR C . 10329 1 550 . 1 1 49 49 THR CA C 13 61.533 0.300 . 1 . . . . 49 THR CA . 10329 1 551 . 1 1 49 49 THR CB C 13 70.753 0.300 . 1 . . . . 49 THR CB . 10329 1 552 . 1 1 49 49 THR CG2 C 13 22.622 0.300 . 1 . . . . 49 THR CG2 . 10329 1 553 . 1 1 49 49 THR N N 15 118.200 0.300 . 1 . . . . 49 THR N . 10329 1 554 . 1 1 50 50 VAL H H 1 9.470 0.030 . 1 . . . . 50 VAL H . 10329 1 555 . 1 1 50 50 VAL HA H 1 4.827 0.030 . 1 . . . . 50 VAL HA . 10329 1 556 . 1 1 50 50 VAL HB H 1 1.929 0.030 . 1 . . . . 50 VAL HB . 10329 1 557 . 1 1 50 50 VAL HG11 H 1 0.884 0.030 . 1 . . . . 50 VAL HG1 . 10329 1 558 . 1 1 50 50 VAL HG12 H 1 0.884 0.030 . 1 . . . . 50 VAL HG1 . 10329 1 559 . 1 1 50 50 VAL HG13 H 1 0.884 0.030 . 1 . . . . 50 VAL HG1 . 10329 1 560 . 1 1 50 50 VAL HG21 H 1 0.861 0.030 . 1 . . . . 50 VAL HG2 . 10329 1 561 . 1 1 50 50 VAL HG22 H 1 0.861 0.030 . 1 . . . . 50 VAL HG2 . 10329 1 562 . 1 1 50 50 VAL HG23 H 1 0.861 0.030 . 1 . . . . 50 VAL HG2 . 10329 1 563 . 1 1 50 50 VAL C C 13 173.602 0.300 . 1 . . . . 50 VAL C . 10329 1 564 . 1 1 50 50 VAL CA C 13 60.422 0.300 . 1 . . . . 50 VAL CA . 10329 1 565 . 1 1 50 50 VAL CB C 13 33.645 0.300 . 1 . . . . 50 VAL CB . 10329 1 566 . 1 1 50 50 VAL CG1 C 13 21.965 0.300 . 2 . . . . 50 VAL CG1 . 10329 1 567 . 1 1 50 50 VAL CG2 C 13 21.025 0.300 . 2 . . . . 50 VAL CG2 . 10329 1 568 . 1 1 50 50 VAL N N 15 128.141 0.300 . 1 . . . . 50 VAL N . 10329 1 569 . 1 1 51 51 ARG H H 1 8.881 0.030 . 1 . . . . 51 ARG H . 10329 1 570 . 1 1 51 51 ARG HA H 1 5.385 0.030 . 1 . . . . 51 ARG HA . 10329 1 571 . 1 1 51 51 ARG HB2 H 1 1.612 0.030 . 2 . . . . 51 ARG HB2 . 10329 1 572 . 1 1 51 51 ARG HB3 H 1 1.778 0.030 . 2 . . . . 51 ARG HB3 . 10329 1 573 . 1 1 51 51 ARG HD2 H 1 3.082 0.030 . 1 . . . . 51 ARG HD2 . 10329 1 574 . 1 1 51 51 ARG HD3 H 1 3.082 0.030 . 1 . . . . 51 ARG HD3 . 10329 1 575 . 1 1 51 51 ARG HG2 H 1 1.564 0.030 . 1 . . . . 51 ARG HG2 . 10329 1 576 . 1 1 51 51 ARG HG3 H 1 1.564 0.030 . 1 . . . . 51 ARG HG3 . 10329 1 577 . 1 1 51 51 ARG C C 13 175.239 0.300 . 1 . . . . 51 ARG C . 10329 1 578 . 1 1 51 51 ARG CA C 13 54.465 0.300 . 1 . . . . 51 ARG CA . 10329 1 579 . 1 1 51 51 ARG CB C 13 34.363 0.300 . 1 . . . . 51 ARG CB . 10329 1 580 . 1 1 51 51 ARG CD C 13 43.450 0.300 . 1 . . . . 51 ARG CD . 10329 1 581 . 1 1 51 51 ARG CG C 13 28.372 0.300 . 1 . . . . 51 ARG CG . 10329 1 582 . 1 1 51 51 ARG N N 15 124.602 0.300 . 1 . . . . 51 ARG N . 10329 1 583 . 1 1 52 52 TYR H H 1 8.851 0.030 . 1 . . . . 52 TYR H . 10329 1 584 . 1 1 52 52 TYR HA H 1 4.883 0.030 . 1 . . . . 52 TYR HA . 10329 1 585 . 1 1 52 52 TYR HB2 H 1 2.450 0.030 . 2 . . . . 52 TYR HB2 . 10329 1 586 . 1 1 52 52 TYR HB3 H 1 2.881 0.030 . 2 . . . . 52 TYR HB3 . 10329 1 587 . 1 1 52 52 TYR HD1 H 1 6.853 0.030 . 1 . . . . 52 TYR HD1 . 10329 1 588 . 1 1 52 52 TYR HD2 H 1 6.853 0.030 . 1 . . . . 52 TYR HD2 . 10329 1 589 . 1 1 52 52 TYR HE1 H 1 6.669 0.030 . 1 . . . . 52 TYR HE1 . 10329 1 590 . 1 1 52 52 TYR HE2 H 1 6.669 0.030 . 1 . . . . 52 TYR HE2 . 10329 1 591 . 1 1 52 52 TYR C C 13 171.656 0.300 . 1 . . . . 52 TYR C . 10329 1 592 . 1 1 52 52 TYR CA C 13 57.242 0.300 . 1 . . . . 52 TYR CA . 10329 1 593 . 1 1 52 52 TYR CB C 13 42.312 0.300 . 1 . . . . 52 TYR CB . 10329 1 594 . 1 1 52 52 TYR CD1 C 13 132.164 0.300 . 1 . . . . 52 TYR CD1 . 10329 1 595 . 1 1 52 52 TYR CD2 C 13 132.164 0.300 . 1 . . . . 52 TYR CD2 . 10329 1 596 . 1 1 52 52 TYR CE1 C 13 118.429 0.300 . 1 . . . . 52 TYR CE1 . 10329 1 597 . 1 1 52 52 TYR CE2 C 13 118.429 0.300 . 1 . . . . 52 TYR CE2 . 10329 1 598 . 1 1 52 52 TYR N N 15 122.325 0.300 . 1 . . . . 52 TYR N . 10329 1 599 . 1 1 53 53 ALA H H 1 8.059 0.030 . 1 . . . . 53 ALA H . 10329 1 600 . 1 1 53 53 ALA HA H 1 4.686 0.030 . 1 . . . . 53 ALA HA . 10329 1 601 . 1 1 53 53 ALA HB1 H 1 1.133 0.030 . 1 . . . . 53 ALA HB . 10329 1 602 . 1 1 53 53 ALA HB2 H 1 1.133 0.030 . 1 . . . . 53 ALA HB . 10329 1 603 . 1 1 53 53 ALA HB3 H 1 1.133 0.030 . 1 . . . . 53 ALA HB . 10329 1 604 . 1 1 53 53 ALA C C 13 172.882 0.300 . 1 . . . . 53 ALA C . 10329 1 605 . 1 1 53 53 ALA CA C 13 47.930 0.300 . 1 . . . . 53 ALA CA . 10329 1 606 . 1 1 53 53 ALA CB C 13 18.329 0.300 . 1 . . . . 53 ALA CB . 10329 1 607 . 1 1 53 53 ALA N N 15 134.522 0.300 . 1 . . . . 53 ALA N . 10329 1 608 . 1 1 54 54 PRO HA H 1 4.203 0.030 . 1 . . . . 54 PRO HA . 10329 1 609 . 1 1 54 54 PRO HB2 H 1 1.935 0.030 . 2 . . . . 54 PRO HB2 . 10329 1 610 . 1 1 54 54 PRO HB3 H 1 2.225 0.030 . 2 . . . . 54 PRO HB3 . 10329 1 611 . 1 1 54 54 PRO HD2 H 1 3.491 0.030 . 2 . . . . 54 PRO HD2 . 10329 1 612 . 1 1 54 54 PRO HD3 H 1 4.095 0.030 . 2 . . . . 54 PRO HD3 . 10329 1 613 . 1 1 54 54 PRO HG2 H 1 2.035 0.030 . 2 . . . . 54 PRO HG2 . 10329 1 614 . 1 1 54 54 PRO HG3 H 1 1.851 0.030 . 2 . . . . 54 PRO HG3 . 10329 1 615 . 1 1 54 54 PRO C C 13 176.206 0.300 . 1 . . . . 54 PRO C . 10329 1 616 . 1 1 54 54 PRO CA C 13 62.676 0.300 . 1 . . . . 54 PRO CA . 10329 1 617 . 1 1 54 54 PRO CB C 13 34.375 0.300 . 1 . . . . 54 PRO CB . 10329 1 618 . 1 1 54 54 PRO CD C 13 51.613 0.300 . 1 . . . . 54 PRO CD . 10329 1 619 . 1 1 54 54 PRO CG C 13 27.957 0.300 . 1 . . . . 54 PRO CG . 10329 1 620 . 1 1 55 55 THR H H 1 8.818 0.030 . 1 . . . . 55 THR H . 10329 1 621 . 1 1 55 55 THR HA H 1 4.335 0.030 . 1 . . . . 55 THR HA . 10329 1 622 . 1 1 55 55 THR HB H 1 4.409 0.030 . 1 . . . . 55 THR HB . 10329 1 623 . 1 1 55 55 THR HG21 H 1 1.134 0.030 . 1 . . . . 55 THR HG2 . 10329 1 624 . 1 1 55 55 THR HG22 H 1 1.134 0.030 . 1 . . . . 55 THR HG2 . 10329 1 625 . 1 1 55 55 THR HG23 H 1 1.134 0.030 . 1 . . . . 55 THR HG2 . 10329 1 626 . 1 1 55 55 THR C C 13 174.182 0.300 . 1 . . . . 55 THR C . 10329 1 627 . 1 1 55 55 THR CA C 13 61.043 0.300 . 1 . . . . 55 THR CA . 10329 1 628 . 1 1 55 55 THR CB C 13 69.891 0.300 . 1 . . . . 55 THR CB . 10329 1 629 . 1 1 55 55 THR CG2 C 13 22.287 0.300 . 1 . . . . 55 THR CG2 . 10329 1 630 . 1 1 55 55 THR N N 15 107.542 0.300 . 1 . . . . 55 THR N . 10329 1 631 . 1 1 56 56 GLU H H 1 7.649 0.030 . 1 . . . . 56 GLU H . 10329 1 632 . 1 1 56 56 GLU HA H 1 4.566 0.030 . 1 . . . . 56 GLU HA . 10329 1 633 . 1 1 56 56 GLU HB2 H 1 1.680 0.030 . 2 . . . . 56 GLU HB2 . 10329 1 634 . 1 1 56 56 GLU HB3 H 1 2.132 0.030 . 2 . . . . 56 GLU HB3 . 10329 1 635 . 1 1 56 56 GLU HG2 H 1 2.256 0.030 . 1 . . . . 56 GLU HG2 . 10329 1 636 . 1 1 56 56 GLU HG3 H 1 2.256 0.030 . 1 . . . . 56 GLU HG3 . 10329 1 637 . 1 1 56 56 GLU C C 13 174.018 0.300 . 1 . . . . 56 GLU C . 10329 1 638 . 1 1 56 56 GLU CA C 13 54.552 0.300 . 1 . . . . 56 GLU CA . 10329 1 639 . 1 1 56 56 GLU CB C 13 34.075 0.300 . 1 . . . . 56 GLU CB . 10329 1 640 . 1 1 56 56 GLU CG C 13 35.917 0.300 . 1 . . . . 56 GLU CG . 10329 1 641 . 1 1 56 56 GLU N N 15 121.534 0.300 . 1 . . . . 56 GLU N . 10329 1 642 . 1 1 57 57 LYS H H 1 8.188 0.030 . 1 . . . . 57 LYS H . 10329 1 643 . 1 1 57 57 LYS HA H 1 4.169 0.030 . 1 . . . . 57 LYS HA . 10329 1 644 . 1 1 57 57 LYS HB2 H 1 1.774 0.030 . 1 . . . . 57 LYS HB2 . 10329 1 645 . 1 1 57 57 LYS HB3 H 1 1.774 0.030 . 1 . . . . 57 LYS HB3 . 10329 1 646 . 1 1 57 57 LYS HD2 H 1 1.721 0.030 . 1 . . . . 57 LYS HD2 . 10329 1 647 . 1 1 57 57 LYS HD3 H 1 1.721 0.030 . 1 . . . . 57 LYS HD3 . 10329 1 648 . 1 1 57 57 LYS HE2 H 1 2.974 0.030 . 2 . . . . 57 LYS HE2 . 10329 1 649 . 1 1 57 57 LYS HE3 H 1 3.030 0.030 . 2 . . . . 57 LYS HE3 . 10329 1 650 . 1 1 57 57 LYS HG2 H 1 1.298 0.030 . 2 . . . . 57 LYS HG2 . 10329 1 651 . 1 1 57 57 LYS HG3 H 1 1.467 0.030 . 2 . . . . 57 LYS HG3 . 10329 1 652 . 1 1 57 57 LYS C C 13 176.691 0.300 . 1 . . . . 57 LYS C . 10329 1 653 . 1 1 57 57 LYS CA C 13 55.796 0.300 . 1 . . . . 57 LYS CA . 10329 1 654 . 1 1 57 57 LYS CB C 13 33.815 0.300 . 1 . . . . 57 LYS CB . 10329 1 655 . 1 1 57 57 LYS CD C 13 29.740 0.300 . 1 . . . . 57 LYS CD . 10329 1 656 . 1 1 57 57 LYS CE C 13 42.132 0.300 . 1 . . . . 57 LYS CE . 10329 1 657 . 1 1 57 57 LYS CG C 13 25.670 0.300 . 1 . . . . 57 LYS CG . 10329 1 658 . 1 1 57 57 LYS N N 15 117.941 0.300 . 1 . . . . 57 LYS N . 10329 1 659 . 1 1 58 58 GLY H H 1 8.980 0.030 . 1 . . . . 58 GLY H . 10329 1 660 . 1 1 58 58 GLY HA2 H 1 3.183 0.030 . 2 . . . . 58 GLY HA2 . 10329 1 661 . 1 1 58 58 GLY HA3 H 1 4.487 0.030 . 2 . . . . 58 GLY HA3 . 10329 1 662 . 1 1 58 58 GLY C C 13 176.194 0.300 . 1 . . . . 58 GLY C . 10329 1 663 . 1 1 58 58 GLY CA C 13 43.680 0.300 . 1 . . . . 58 GLY CA . 10329 1 664 . 1 1 58 58 GLY N N 15 106.620 0.300 . 1 . . . . 58 GLY N . 10329 1 665 . 1 1 59 59 LEU H H 1 9.129 0.030 . 1 . . . . 59 LEU H . 10329 1 666 . 1 1 59 59 LEU HA H 1 4.243 0.030 . 1 . . . . 59 LEU HA . 10329 1 667 . 1 1 59 59 LEU HB2 H 1 1.840 0.030 . 2 . . . . 59 LEU HB2 . 10329 1 668 . 1 1 59 59 LEU HB3 H 1 1.432 0.030 . 2 . . . . 59 LEU HB3 . 10329 1 669 . 1 1 59 59 LEU HD11 H 1 0.798 0.030 . 1 . . . . 59 LEU HD1 . 10329 1 670 . 1 1 59 59 LEU HD12 H 1 0.798 0.030 . 1 . . . . 59 LEU HD1 . 10329 1 671 . 1 1 59 59 LEU HD13 H 1 0.798 0.030 . 1 . . . . 59 LEU HD1 . 10329 1 672 . 1 1 59 59 LEU HD21 H 1 0.842 0.030 . 1 . . . . 59 LEU HD2 . 10329 1 673 . 1 1 59 59 LEU HD22 H 1 0.842 0.030 . 1 . . . . 59 LEU HD2 . 10329 1 674 . 1 1 59 59 LEU HD23 H 1 0.842 0.030 . 1 . . . . 59 LEU HD2 . 10329 1 675 . 1 1 59 59 LEU HG H 1 1.298 0.030 . 1 . . . . 59 LEU HG . 10329 1 676 . 1 1 59 59 LEU C C 13 174.866 0.300 . 1 . . . . 59 LEU C . 10329 1 677 . 1 1 59 59 LEU CA C 13 56.529 0.300 . 1 . . . . 59 LEU CA . 10329 1 678 . 1 1 59 59 LEU CB C 13 42.187 0.300 . 1 . . . . 59 LEU CB . 10329 1 679 . 1 1 59 59 LEU CD1 C 13 23.338 0.300 . 2 . . . . 59 LEU CD1 . 10329 1 680 . 1 1 59 59 LEU CD2 C 13 25.290 0.300 . 2 . . . . 59 LEU CD2 . 10329 1 681 . 1 1 59 59 LEU CG C 13 26.916 0.300 . 1 . . . . 59 LEU CG . 10329 1 682 . 1 1 59 59 LEU N N 15 126.837 0.300 . 1 . . . . 59 LEU N . 10329 1 683 . 1 1 60 60 HIS H H 1 9.236 0.030 . 1 . . . . 60 HIS H . 10329 1 684 . 1 1 60 60 HIS HA H 1 4.524 0.030 . 1 . . . . 60 HIS HA . 10329 1 685 . 1 1 60 60 HIS HB2 H 1 1.908 0.030 . 2 . . . . 60 HIS HB2 . 10329 1 686 . 1 1 60 60 HIS HB3 H 1 0.817 0.030 . 2 . . . . 60 HIS HB3 . 10329 1 687 . 1 1 60 60 HIS HD2 H 1 6.366 0.030 . 1 . . . . 60 HIS HD2 . 10329 1 688 . 1 1 60 60 HIS HE1 H 1 7.758 0.030 . 1 . . . . 60 HIS HE1 . 10329 1 689 . 1 1 60 60 HIS C C 13 173.637 0.300 . 1 . . . . 60 HIS C . 10329 1 690 . 1 1 60 60 HIS CA C 13 54.586 0.300 . 1 . . . . 60 HIS CA . 10329 1 691 . 1 1 60 60 HIS CB C 13 31.930 0.300 . 1 . . . . 60 HIS CB . 10329 1 692 . 1 1 60 60 HIS CD2 C 13 126.913 0.300 . 1 . . . . 60 HIS CD2 . 10329 1 693 . 1 1 60 60 HIS CE1 C 13 140.394 0.300 . 1 . . . . 60 HIS CE1 . 10329 1 694 . 1 1 60 60 HIS N N 15 126.734 0.300 . 1 . . . . 60 HIS N . 10329 1 695 . 1 1 61 61 GLN H H 1 8.035 0.030 . 1 . . . . 61 GLN H . 10329 1 696 . 1 1 61 61 GLN HA H 1 5.087 0.030 . 1 . . . . 61 GLN HA . 10329 1 697 . 1 1 61 61 GLN HB2 H 1 1.959 0.030 . 2 . . . . 61 GLN HB2 . 10329 1 698 . 1 1 61 61 GLN HB3 H 1 1.887 0.030 . 2 . . . . 61 GLN HB3 . 10329 1 699 . 1 1 61 61 GLN HE21 H 1 7.408 0.030 . 2 . . . . 61 GLN HE21 . 10329 1 700 . 1 1 61 61 GLN HE22 H 1 6.732 0.030 . 2 . . . . 61 GLN HE22 . 10329 1 701 . 1 1 61 61 GLN HG2 H 1 2.173 0.030 . 2 . . . . 61 GLN HG2 . 10329 1 702 . 1 1 61 61 GLN HG3 H 1 2.254 0.030 . 2 . . . . 61 GLN HG3 . 10329 1 703 . 1 1 61 61 GLN C C 13 174.579 0.300 . 1 . . . . 61 GLN C . 10329 1 704 . 1 1 61 61 GLN CA C 13 54.243 0.300 . 1 . . . . 61 GLN CA . 10329 1 705 . 1 1 61 61 GLN CB C 13 32.217 0.300 . 1 . . . . 61 GLN CB . 10329 1 706 . 1 1 61 61 GLN CG C 13 34.415 0.300 . 1 . . . . 61 GLN CG . 10329 1 707 . 1 1 61 61 GLN N N 15 117.055 0.300 . 1 . . . . 61 GLN N . 10329 1 708 . 1 1 61 61 GLN NE2 N 15 111.280 0.300 . 1 . . . . 61 GLN NE2 . 10329 1 709 . 1 1 62 62 MET H H 1 9.565 0.030 . 1 . . . . 62 MET H . 10329 1 710 . 1 1 62 62 MET HA H 1 5.402 0.030 . 1 . . . . 62 MET HA . 10329 1 711 . 1 1 62 62 MET HB2 H 1 2.028 0.030 . 2 . . . . 62 MET HB2 . 10329 1 712 . 1 1 62 62 MET HB3 H 1 1.842 0.030 . 2 . . . . 62 MET HB3 . 10329 1 713 . 1 1 62 62 MET HE1 H 1 1.503 0.030 . 1 . . . . 62 MET HE . 10329 1 714 . 1 1 62 62 MET HE2 H 1 1.503 0.030 . 1 . . . . 62 MET HE . 10329 1 715 . 1 1 62 62 MET HE3 H 1 1.503 0.030 . 1 . . . . 62 MET HE . 10329 1 716 . 1 1 62 62 MET HG2 H 1 2.196 0.030 . 2 . . . . 62 MET HG2 . 10329 1 717 . 1 1 62 62 MET HG3 H 1 2.067 0.030 . 2 . . . . 62 MET HG3 . 10329 1 718 . 1 1 62 62 MET C C 13 173.099 0.300 . 1 . . . . 62 MET C . 10329 1 719 . 1 1 62 62 MET CA C 13 54.164 0.300 . 1 . . . . 62 MET CA . 10329 1 720 . 1 1 62 62 MET CB C 13 37.432 0.300 . 1 . . . . 62 MET CB . 10329 1 721 . 1 1 62 62 MET CE C 13 16.768 0.300 . 1 . . . . 62 MET CE . 10329 1 722 . 1 1 62 62 MET CG C 13 31.057 0.300 . 1 . . . . 62 MET CG . 10329 1 723 . 1 1 62 62 MET N N 15 125.702 0.300 . 1 . . . . 62 MET N . 10329 1 724 . 1 1 63 63 GLY H H 1 8.936 0.030 . 1 . . . . 63 GLY H . 10329 1 725 . 1 1 63 63 GLY HA2 H 1 3.681 0.030 . 2 . . . . 63 GLY HA2 . 10329 1 726 . 1 1 63 63 GLY HA3 H 1 5.082 0.030 . 2 . . . . 63 GLY HA3 . 10329 1 727 . 1 1 63 63 GLY C C 13 172.430 0.300 . 1 . . . . 63 GLY C . 10329 1 728 . 1 1 63 63 GLY CA C 13 43.820 0.300 . 1 . . . . 63 GLY CA . 10329 1 729 . 1 1 63 63 GLY N N 15 114.510 0.300 . 1 . . . . 63 GLY N . 10329 1 730 . 1 1 64 64 ILE H H 1 9.862 0.030 . 1 . . . . 64 ILE H . 10329 1 731 . 1 1 64 64 ILE HA H 1 4.652 0.030 . 1 . . . . 64 ILE HA . 10329 1 732 . 1 1 64 64 ILE HB H 1 1.548 0.030 . 1 . . . . 64 ILE HB . 10329 1 733 . 1 1 64 64 ILE HD11 H 1 0.768 0.030 . 1 . . . . 64 ILE HD1 . 10329 1 734 . 1 1 64 64 ILE HD12 H 1 0.768 0.030 . 1 . . . . 64 ILE HD1 . 10329 1 735 . 1 1 64 64 ILE HD13 H 1 0.768 0.030 . 1 . . . . 64 ILE HD1 . 10329 1 736 . 1 1 64 64 ILE HG12 H 1 1.251 0.030 . 2 . . . . 64 ILE HG12 . 10329 1 737 . 1 1 64 64 ILE HG13 H 1 0.982 0.030 . 2 . . . . 64 ILE HG13 . 10329 1 738 . 1 1 64 64 ILE HG21 H 1 0.615 0.030 . 1 . . . . 64 ILE HG2 . 10329 1 739 . 1 1 64 64 ILE HG22 H 1 0.615 0.030 . 1 . . . . 64 ILE HG2 . 10329 1 740 . 1 1 64 64 ILE HG23 H 1 0.615 0.030 . 1 . . . . 64 ILE HG2 . 10329 1 741 . 1 1 64 64 ILE C C 13 173.753 0.300 . 1 . . . . 64 ILE C . 10329 1 742 . 1 1 64 64 ILE CA C 13 59.949 0.300 . 1 . . . . 64 ILE CA . 10329 1 743 . 1 1 64 64 ILE CB C 13 39.490 0.300 . 1 . . . . 64 ILE CB . 10329 1 744 . 1 1 64 64 ILE CD1 C 13 13.605 0.300 . 1 . . . . 64 ILE CD1 . 10329 1 745 . 1 1 64 64 ILE CG1 C 13 26.986 0.300 . 1 . . . . 64 ILE CG1 . 10329 1 746 . 1 1 64 64 ILE CG2 C 13 18.246 0.300 . 1 . . . . 64 ILE CG2 . 10329 1 747 . 1 1 64 64 ILE N N 15 127.930 0.300 . 1 . . . . 64 ILE N . 10329 1 748 . 1 1 65 65 LYS H H 1 8.832 0.030 . 1 . . . . 65 LYS H . 10329 1 749 . 1 1 65 65 LYS HA H 1 4.801 0.030 . 1 . . . . 65 LYS HA . 10329 1 750 . 1 1 65 65 LYS HB2 H 1 0.822 0.030 . 2 . . . . 65 LYS HB2 . 10329 1 751 . 1 1 65 65 LYS HB3 H 1 1.363 0.030 . 2 . . . . 65 LYS HB3 . 10329 1 752 . 1 1 65 65 LYS HD2 H 1 0.870 0.030 . 2 . . . . 65 LYS HD2 . 10329 1 753 . 1 1 65 65 LYS HD3 H 1 1.057 0.030 . 2 . . . . 65 LYS HD3 . 10329 1 754 . 1 1 65 65 LYS HE2 H 1 2.193 0.030 . 2 . . . . 65 LYS HE2 . 10329 1 755 . 1 1 65 65 LYS HE3 H 1 1.902 0.030 . 2 . . . . 65 LYS HE3 . 10329 1 756 . 1 1 65 65 LYS HG2 H 1 0.078 0.030 . 2 . . . . 65 LYS HG2 . 10329 1 757 . 1 1 65 65 LYS HG3 H 1 0.696 0.030 . 2 . . . . 65 LYS HG3 . 10329 1 758 . 1 1 65 65 LYS C C 13 174.081 0.300 . 1 . . . . 65 LYS C . 10329 1 759 . 1 1 65 65 LYS CA C 13 53.997 0.300 . 1 . . . . 65 LYS CA . 10329 1 760 . 1 1 65 65 LYS CB C 13 37.023 0.300 . 1 . . . . 65 LYS CB . 10329 1 761 . 1 1 65 65 LYS CD C 13 29.424 0.300 . 1 . . . . 65 LYS CD . 10329 1 762 . 1 1 65 65 LYS CE C 13 41.308 0.300 . 1 . . . . 65 LYS CE . 10329 1 763 . 1 1 65 65 LYS CG C 13 24.779 0.300 . 1 . . . . 65 LYS CG . 10329 1 764 . 1 1 65 65 LYS N N 15 124.001 0.300 . 1 . . . . 65 LYS N . 10329 1 765 . 1 1 66 66 TYR H H 1 8.830 0.030 . 1 . . . . 66 TYR H . 10329 1 766 . 1 1 66 66 TYR HA H 1 5.244 0.030 . 1 . . . . 66 TYR HA . 10329 1 767 . 1 1 66 66 TYR HB2 H 1 2.483 0.030 . 2 . . . . 66 TYR HB2 . 10329 1 768 . 1 1 66 66 TYR HB3 H 1 2.862 0.030 . 2 . . . . 66 TYR HB3 . 10329 1 769 . 1 1 66 66 TYR HD1 H 1 7.100 0.030 . 1 . . . . 66 TYR HD1 . 10329 1 770 . 1 1 66 66 TYR HD2 H 1 7.100 0.030 . 1 . . . . 66 TYR HD2 . 10329 1 771 . 1 1 66 66 TYR HE1 H 1 6.879 0.030 . 1 . . . . 66 TYR HE1 . 10329 1 772 . 1 1 66 66 TYR HE2 H 1 6.879 0.030 . 1 . . . . 66 TYR HE2 . 10329 1 773 . 1 1 66 66 TYR C C 13 175.900 0.300 . 1 . . . . 66 TYR C . 10329 1 774 . 1 1 66 66 TYR CA C 13 55.540 0.300 . 1 . . . . 66 TYR CA . 10329 1 775 . 1 1 66 66 TYR CB C 13 41.491 0.300 . 1 . . . . 66 TYR CB . 10329 1 776 . 1 1 66 66 TYR CD1 C 13 133.135 0.300 . 1 . . . . 66 TYR CD1 . 10329 1 777 . 1 1 66 66 TYR CD2 C 13 133.135 0.300 . 1 . . . . 66 TYR CD2 . 10329 1 778 . 1 1 66 66 TYR CE1 C 13 118.354 0.300 . 1 . . . . 66 TYR CE1 . 10329 1 779 . 1 1 66 66 TYR CE2 C 13 118.354 0.300 . 1 . . . . 66 TYR CE2 . 10329 1 780 . 1 1 66 66 TYR N N 15 120.395 0.300 . 1 . . . . 66 TYR N . 10329 1 781 . 1 1 67 67 ASP H H 1 9.291 0.030 . 1 . . . . 67 ASP H . 10329 1 782 . 1 1 67 67 ASP HA H 1 4.167 0.030 . 1 . . . . 67 ASP HA . 10329 1 783 . 1 1 67 67 ASP HB2 H 1 2.064 0.030 . 2 . . . . 67 ASP HB2 . 10329 1 784 . 1 1 67 67 ASP HB3 H 1 2.830 0.030 . 2 . . . . 67 ASP HB3 . 10329 1 785 . 1 1 67 67 ASP C C 13 175.594 0.300 . 1 . . . . 67 ASP C . 10329 1 786 . 1 1 67 67 ASP CA C 13 55.327 0.300 . 1 . . . . 67 ASP CA . 10329 1 787 . 1 1 67 67 ASP CB C 13 39.492 0.300 . 1 . . . . 67 ASP CB . 10329 1 788 . 1 1 67 67 ASP N N 15 129.896 0.300 . 1 . . . . 67 ASP N . 10329 1 789 . 1 1 68 68 GLY H H 1 8.286 0.030 . 1 . . . . 68 GLY H . 10329 1 790 . 1 1 68 68 GLY HA2 H 1 3.337 0.030 . 2 . . . . 68 GLY HA2 . 10329 1 791 . 1 1 68 68 GLY HA3 H 1 4.114 0.030 . 2 . . . . 68 GLY HA3 . 10329 1 792 . 1 1 68 68 GLY C C 13 173.315 0.300 . 1 . . . . 68 GLY C . 10329 1 793 . 1 1 68 68 GLY CA C 13 45.342 0.300 . 1 . . . . 68 GLY CA . 10329 1 794 . 1 1 68 68 GLY N N 15 100.124 0.300 . 1 . . . . 68 GLY N . 10329 1 795 . 1 1 69 69 ASN H H 1 7.619 0.030 . 1 . . . . 69 ASN H . 10329 1 796 . 1 1 69 69 ASN HA H 1 5.122 0.030 . 1 . . . . 69 ASN HA . 10329 1 797 . 1 1 69 69 ASN HB2 H 1 2.769 0.030 . 1 . . . . 69 ASN HB2 . 10329 1 798 . 1 1 69 69 ASN HB3 H 1 2.769 0.030 . 1 . . . . 69 ASN HB3 . 10329 1 799 . 1 1 69 69 ASN HD21 H 1 7.029 0.030 . 2 . . . . 69 ASN HD21 . 10329 1 800 . 1 1 69 69 ASN HD22 H 1 7.714 0.030 . 2 . . . . 69 ASN HD22 . 10329 1 801 . 1 1 69 69 ASN C C 13 174.879 0.300 . 1 . . . . 69 ASN C . 10329 1 802 . 1 1 69 69 ASN CA C 13 51.374 0.300 . 1 . . . . 69 ASN CA . 10329 1 803 . 1 1 69 69 ASN CB C 13 41.231 0.300 . 1 . . . . 69 ASN CB . 10329 1 804 . 1 1 69 69 ASN N N 15 118.214 0.300 . 1 . . . . 69 ASN N . 10329 1 805 . 1 1 69 69 ASN ND2 N 15 115.819 0.300 . 1 . . . . 69 ASN ND2 . 10329 1 806 . 1 1 70 70 HIS H H 1 8.832 0.030 . 1 . . . . 70 HIS H . 10329 1 807 . 1 1 70 70 HIS HA H 1 4.435 0.030 . 1 . . . . 70 HIS HA . 10329 1 808 . 1 1 70 70 HIS HB2 H 1 2.854 0.030 . 2 . . . . 70 HIS HB2 . 10329 1 809 . 1 1 70 70 HIS HB3 H 1 3.143 0.030 . 2 . . . . 70 HIS HB3 . 10329 1 810 . 1 1 70 70 HIS HD2 H 1 7.189 0.030 . 1 . . . . 70 HIS HD2 . 10329 1 811 . 1 1 70 70 HIS HE1 H 1 7.627 0.030 . 1 . . . . 70 HIS HE1 . 10329 1 812 . 1 1 70 70 HIS C C 13 177.553 0.300 . 1 . . . . 70 HIS C . 10329 1 813 . 1 1 70 70 HIS CA C 13 58.994 0.300 . 1 . . . . 70 HIS CA . 10329 1 814 . 1 1 70 70 HIS CB C 13 32.122 0.300 . 1 . . . . 70 HIS CB . 10329 1 815 . 1 1 70 70 HIS CD2 C 13 117.925 0.300 . 1 . . . . 70 HIS CD2 . 10329 1 816 . 1 1 70 70 HIS CE1 C 13 137.436 0.300 . 1 . . . . 70 HIS CE1 . 10329 1 817 . 1 1 70 70 HIS N N 15 123.229 0.300 . 1 . . . . 70 HIS N . 10329 1 818 . 1 1 71 71 ILE H H 1 8.130 0.030 . 1 . . . . 71 ILE H . 10329 1 819 . 1 1 71 71 ILE HA H 1 4.461 0.030 . 1 . . . . 71 ILE HA . 10329 1 820 . 1 1 71 71 ILE HB H 1 1.575 0.030 . 1 . . . . 71 ILE HB . 10329 1 821 . 1 1 71 71 ILE HD11 H 1 0.418 0.030 . 1 . . . . 71 ILE HD1 . 10329 1 822 . 1 1 71 71 ILE HD12 H 1 0.418 0.030 . 1 . . . . 71 ILE HD1 . 10329 1 823 . 1 1 71 71 ILE HD13 H 1 0.418 0.030 . 1 . . . . 71 ILE HD1 . 10329 1 824 . 1 1 71 71 ILE HG12 H 1 0.906 0.030 . 2 . . . . 71 ILE HG12 . 10329 1 825 . 1 1 71 71 ILE HG13 H 1 1.076 0.030 . 2 . . . . 71 ILE HG13 . 10329 1 826 . 1 1 71 71 ILE HG21 H 1 0.166 0.030 . 1 . . . . 71 ILE HG2 . 10329 1 827 . 1 1 71 71 ILE HG22 H 1 0.166 0.030 . 1 . . . . 71 ILE HG2 . 10329 1 828 . 1 1 71 71 ILE HG23 H 1 0.166 0.030 . 1 . . . . 71 ILE HG2 . 10329 1 829 . 1 1 71 71 ILE C C 13 173.091 0.300 . 1 . . . . 71 ILE C . 10329 1 830 . 1 1 71 71 ILE CA C 13 60.546 0.300 . 1 . . . . 71 ILE CA . 10329 1 831 . 1 1 71 71 ILE CB C 13 35.808 0.300 . 1 . . . . 71 ILE CB . 10329 1 832 . 1 1 71 71 ILE CD1 C 13 14.683 0.300 . 1 . . . . 71 ILE CD1 . 10329 1 833 . 1 1 71 71 ILE CG1 C 13 24.559 0.300 . 1 . . . . 71 ILE CG1 . 10329 1 834 . 1 1 71 71 ILE CG2 C 13 18.232 0.300 . 1 . . . . 71 ILE CG2 . 10329 1 835 . 1 1 71 71 ILE N N 15 119.164 0.300 . 1 . . . . 71 ILE N . 10329 1 836 . 1 1 72 72 PRO HA H 1 4.383 0.030 . 1 . . . . 72 PRO HA . 10329 1 837 . 1 1 72 72 PRO HB2 H 1 1.942 0.030 . 2 . . . . 72 PRO HB2 . 10329 1 838 . 1 1 72 72 PRO HB3 H 1 2.338 0.030 . 2 . . . . 72 PRO HB3 . 10329 1 839 . 1 1 72 72 PRO HD2 H 1 3.607 0.030 . 2 . . . . 72 PRO HD2 . 10329 1 840 . 1 1 72 72 PRO HD3 H 1 3.975 0.030 . 2 . . . . 72 PRO HD3 . 10329 1 841 . 1 1 72 72 PRO HG2 H 1 2.285 0.030 . 2 . . . . 72 PRO HG2 . 10329 1 842 . 1 1 72 72 PRO HG3 H 1 2.069 0.030 . 2 . . . . 72 PRO HG3 . 10329 1 843 . 1 1 72 72 PRO C C 13 177.513 0.300 . 1 . . . . 72 PRO C . 10329 1 844 . 1 1 72 72 PRO CA C 13 64.756 0.300 . 1 . . . . 72 PRO CA . 10329 1 845 . 1 1 72 72 PRO CB C 13 30.847 0.300 . 1 . . . . 72 PRO CB . 10329 1 846 . 1 1 72 72 PRO CD C 13 50.603 0.300 . 1 . . . . 72 PRO CD . 10329 1 847 . 1 1 72 72 PRO CG C 13 28.537 0.300 . 1 . . . . 72 PRO CG . 10329 1 848 . 1 1 73 73 GLY H H 1 8.577 0.030 . 1 . . . . 73 GLY H . 10329 1 849 . 1 1 73 73 GLY HA2 H 1 3.514 0.030 . 2 . . . . 73 GLY HA2 . 10329 1 850 . 1 1 73 73 GLY HA3 H 1 4.233 0.030 . 2 . . . . 73 GLY HA3 . 10329 1 851 . 1 1 73 73 GLY C C 13 172.743 0.300 . 1 . . . . 73 GLY C . 10329 1 852 . 1 1 73 73 GLY CA C 13 44.745 0.300 . 1 . . . . 73 GLY CA . 10329 1 853 . 1 1 73 73 GLY N N 15 112.679 0.300 . 1 . . . . 73 GLY N . 10329 1 854 . 1 1 74 74 SER H H 1 8.095 0.030 . 1 . . . . 74 SER H . 10329 1 855 . 1 1 74 74 SER HA H 1 4.880 0.030 . 1 . . . . 74 SER HA . 10329 1 856 . 1 1 74 74 SER HB2 H 1 3.418 0.030 . 2 . . . . 74 SER HB2 . 10329 1 857 . 1 1 74 74 SER HB3 H 1 4.510 0.030 . 2 . . . . 74 SER HB3 . 10329 1 858 . 1 1 74 74 SER C C 13 173.745 0.300 . 1 . . . . 74 SER C . 10329 1 859 . 1 1 74 74 SER CA C 13 53.859 0.300 . 1 . . . . 74 SER CA . 10329 1 860 . 1 1 74 74 SER CB C 13 63.583 0.300 . 1 . . . . 74 SER CB . 10329 1 861 . 1 1 74 74 SER N N 15 113.003 0.300 . 1 . . . . 74 SER N . 10329 1 862 . 1 1 75 75 PRO HA H 1 5.652 0.030 . 1 . . . . 75 PRO HA . 10329 1 863 . 1 1 75 75 PRO HB2 H 1 1.911 0.030 . 2 . . . . 75 PRO HB2 . 10329 1 864 . 1 1 75 75 PRO HB3 H 1 2.157 0.030 . 2 . . . . 75 PRO HB3 . 10329 1 865 . 1 1 75 75 PRO HD2 H 1 3.284 0.030 . 2 . . . . 75 PRO HD2 . 10329 1 866 . 1 1 75 75 PRO HD3 H 1 2.081 0.030 . 2 . . . . 75 PRO HD3 . 10329 1 867 . 1 1 75 75 PRO HG2 H 1 1.666 0.030 . 1 . . . . 75 PRO HG2 . 10329 1 868 . 1 1 75 75 PRO HG3 H 1 1.666 0.030 . 1 . . . . 75 PRO HG3 . 10329 1 869 . 1 1 75 75 PRO C C 13 175.796 0.300 . 1 . . . . 75 PRO C . 10329 1 870 . 1 1 75 75 PRO CA C 13 62.927 0.300 . 1 . . . . 75 PRO CA . 10329 1 871 . 1 1 75 75 PRO CB C 13 35.117 0.300 . 1 . . . . 75 PRO CB . 10329 1 872 . 1 1 75 75 PRO CD C 13 49.732 0.300 . 1 . . . . 75 PRO CD . 10329 1 873 . 1 1 75 75 PRO CG C 13 24.450 0.300 . 1 . . . . 75 PRO CG . 10329 1 874 . 1 1 76 76 LEU H H 1 9.321 0.030 . 1 . . . . 76 LEU H . 10329 1 875 . 1 1 76 76 LEU HA H 1 4.941 0.030 . 1 . . . . 76 LEU HA . 10329 1 876 . 1 1 76 76 LEU HB2 H 1 1.822 0.030 . 2 . . . . 76 LEU HB2 . 10329 1 877 . 1 1 76 76 LEU HB3 H 1 2.041 0.030 . 2 . . . . 76 LEU HB3 . 10329 1 878 . 1 1 76 76 LEU HD11 H 1 0.917 0.030 . 1 . . . . 76 LEU HD1 . 10329 1 879 . 1 1 76 76 LEU HD12 H 1 0.917 0.030 . 1 . . . . 76 LEU HD1 . 10329 1 880 . 1 1 76 76 LEU HD13 H 1 0.917 0.030 . 1 . . . . 76 LEU HD1 . 10329 1 881 . 1 1 76 76 LEU HD21 H 1 0.938 0.030 . 1 . . . . 76 LEU HD2 . 10329 1 882 . 1 1 76 76 LEU HD22 H 1 0.938 0.030 . 1 . . . . 76 LEU HD2 . 10329 1 883 . 1 1 76 76 LEU HD23 H 1 0.938 0.030 . 1 . . . . 76 LEU HD2 . 10329 1 884 . 1 1 76 76 LEU HG H 1 1.846 0.030 . 1 . . . . 76 LEU HG . 10329 1 885 . 1 1 76 76 LEU C C 13 175.366 0.300 . 1 . . . . 76 LEU C . 10329 1 886 . 1 1 76 76 LEU CA C 13 54.203 0.300 . 1 . . . . 76 LEU CA . 10329 1 887 . 1 1 76 76 LEU CB C 13 44.597 0.300 . 1 . . . . 76 LEU CB . 10329 1 888 . 1 1 76 76 LEU CD1 C 13 26.273 0.300 . 2 . . . . 76 LEU CD1 . 10329 1 889 . 1 1 76 76 LEU CD2 C 13 26.565 0.300 . 2 . . . . 76 LEU CD2 . 10329 1 890 . 1 1 76 76 LEU CG C 13 26.609 0.300 . 1 . . . . 76 LEU CG . 10329 1 891 . 1 1 76 76 LEU N N 15 119.394 0.300 . 1 . . . . 76 LEU N . 10329 1 892 . 1 1 77 77 GLN H H 1 8.732 0.030 . 1 . . . . 77 GLN H . 10329 1 893 . 1 1 77 77 GLN HA H 1 5.416 0.030 . 1 . . . . 77 GLN HA . 10329 1 894 . 1 1 77 77 GLN HB2 H 1 2.005 0.030 . 1 . . . . 77 GLN HB2 . 10329 1 895 . 1 1 77 77 GLN HB3 H 1 2.005 0.030 . 1 . . . . 77 GLN HB3 . 10329 1 896 . 1 1 77 77 GLN HE21 H 1 6.798 0.030 . 2 . . . . 77 GLN HE21 . 10329 1 897 . 1 1 77 77 GLN HE22 H 1 7.443 0.030 . 2 . . . . 77 GLN HE22 . 10329 1 898 . 1 1 77 77 GLN HG2 H 1 2.352 0.030 . 2 . . . . 77 GLN HG2 . 10329 1 899 . 1 1 77 77 GLN HG3 H 1 2.259 0.030 . 2 . . . . 77 GLN HG3 . 10329 1 900 . 1 1 77 77 GLN C C 13 174.963 0.300 . 1 . . . . 77 GLN C . 10329 1 901 . 1 1 77 77 GLN CA C 13 54.172 0.300 . 1 . . . . 77 GLN CA . 10329 1 902 . 1 1 77 77 GLN CB C 13 31.906 0.300 . 1 . . . . 77 GLN CB . 10329 1 903 . 1 1 77 77 GLN CG C 13 34.304 0.300 . 1 . . . . 77 GLN CG . 10329 1 904 . 1 1 77 77 GLN N N 15 119.515 0.300 . 1 . . . . 77 GLN N . 10329 1 905 . 1 1 77 77 GLN NE2 N 15 111.030 0.300 . 1 . . . . 77 GLN NE2 . 10329 1 906 . 1 1 78 78 PHE H H 1 8.383 0.030 . 1 . . . . 78 PHE H . 10329 1 907 . 1 1 78 78 PHE HA H 1 5.013 0.030 . 1 . . . . 78 PHE HA . 10329 1 908 . 1 1 78 78 PHE HB2 H 1 2.779 0.030 . 1 . . . . 78 PHE HB2 . 10329 1 909 . 1 1 78 78 PHE HB3 H 1 2.779 0.030 . 1 . . . . 78 PHE HB3 . 10329 1 910 . 1 1 78 78 PHE HD1 H 1 6.460 0.030 . 1 . . . . 78 PHE HD1 . 10329 1 911 . 1 1 78 78 PHE HD2 H 1 6.460 0.030 . 1 . . . . 78 PHE HD2 . 10329 1 912 . 1 1 78 78 PHE HE1 H 1 6.418 0.030 . 1 . . . . 78 PHE HE1 . 10329 1 913 . 1 1 78 78 PHE HE2 H 1 6.418 0.030 . 1 . . . . 78 PHE HE2 . 10329 1 914 . 1 1 78 78 PHE HZ H 1 6.418 0.030 . 1 . . . . 78 PHE HZ . 10329 1 915 . 1 1 78 78 PHE C C 13 171.658 0.300 . 1 . . . . 78 PHE C . 10329 1 916 . 1 1 78 78 PHE CA C 13 55.907 0.300 . 1 . . . . 78 PHE CA . 10329 1 917 . 1 1 78 78 PHE CB C 13 40.956 0.300 . 1 . . . . 78 PHE CB . 10329 1 918 . 1 1 78 78 PHE CD1 C 13 132.857 0.300 . 1 . . . . 78 PHE CD1 . 10329 1 919 . 1 1 78 78 PHE CD2 C 13 132.857 0.300 . 1 . . . . 78 PHE CD2 . 10329 1 920 . 1 1 78 78 PHE CE1 C 13 129.212 0.300 . 1 . . . . 78 PHE CE1 . 10329 1 921 . 1 1 78 78 PHE CE2 C 13 129.212 0.300 . 1 . . . . 78 PHE CE2 . 10329 1 922 . 1 1 78 78 PHE CZ C 13 127.854 0.300 . 1 . . . . 78 PHE CZ . 10329 1 923 . 1 1 78 78 PHE N N 15 116.930 0.300 . 1 . . . . 78 PHE N . 10329 1 924 . 1 1 79 79 TYR H H 1 9.210 0.030 . 1 . . . . 79 TYR H . 10329 1 925 . 1 1 79 79 TYR HA H 1 4.691 0.030 . 1 . . . . 79 TYR HA . 10329 1 926 . 1 1 79 79 TYR HB2 H 1 2.789 0.030 . 2 . . . . 79 TYR HB2 . 10329 1 927 . 1 1 79 79 TYR HB3 H 1 3.075 0.030 . 2 . . . . 79 TYR HB3 . 10329 1 928 . 1 1 79 79 TYR HD1 H 1 6.924 0.030 . 1 . . . . 79 TYR HD1 . 10329 1 929 . 1 1 79 79 TYR HD2 H 1 6.924 0.030 . 1 . . . . 79 TYR HD2 . 10329 1 930 . 1 1 79 79 TYR HE1 H 1 6.828 0.030 . 1 . . . . 79 TYR HE1 . 10329 1 931 . 1 1 79 79 TYR HE2 H 1 6.828 0.030 . 1 . . . . 79 TYR HE2 . 10329 1 932 . 1 1 79 79 TYR C C 13 175.245 0.300 . 1 . . . . 79 TYR C . 10329 1 933 . 1 1 79 79 TYR CA C 13 57.859 0.300 . 1 . . . . 79 TYR CA . 10329 1 934 . 1 1 79 79 TYR CB C 13 40.813 0.300 . 1 . . . . 79 TYR CB . 10329 1 935 . 1 1 79 79 TYR CD1 C 13 132.760 0.300 . 1 . . . . 79 TYR CD1 . 10329 1 936 . 1 1 79 79 TYR CD2 C 13 132.760 0.300 . 1 . . . . 79 TYR CD2 . 10329 1 937 . 1 1 79 79 TYR CE1 C 13 118.595 0.300 . 1 . . . . 79 TYR CE1 . 10329 1 938 . 1 1 79 79 TYR CE2 C 13 118.595 0.300 . 1 . . . . 79 TYR CE2 . 10329 1 939 . 1 1 79 79 TYR N N 15 124.203 0.300 . 1 . . . . 79 TYR N . 10329 1 940 . 1 1 80 80 VAL H H 1 7.987 0.030 . 1 . . . . 80 VAL H . 10329 1 941 . 1 1 80 80 VAL HA H 1 4.325 0.030 . 1 . . . . 80 VAL HA . 10329 1 942 . 1 1 80 80 VAL HB H 1 2.286 0.030 . 1 . . . . 80 VAL HB . 10329 1 943 . 1 1 80 80 VAL HG11 H 1 1.042 0.030 . 1 . . . . 80 VAL HG1 . 10329 1 944 . 1 1 80 80 VAL HG12 H 1 1.042 0.030 . 1 . . . . 80 VAL HG1 . 10329 1 945 . 1 1 80 80 VAL HG13 H 1 1.042 0.030 . 1 . . . . 80 VAL HG1 . 10329 1 946 . 1 1 80 80 VAL HG21 H 1 0.758 0.030 . 1 . . . . 80 VAL HG2 . 10329 1 947 . 1 1 80 80 VAL HG22 H 1 0.758 0.030 . 1 . . . . 80 VAL HG2 . 10329 1 948 . 1 1 80 80 VAL HG23 H 1 0.758 0.030 . 1 . . . . 80 VAL HG2 . 10329 1 949 . 1 1 80 80 VAL C C 13 174.232 0.300 . 1 . . . . 80 VAL C . 10329 1 950 . 1 1 80 80 VAL CA C 13 62.274 0.300 . 1 . . . . 80 VAL CA . 10329 1 951 . 1 1 80 80 VAL CB C 13 33.202 0.300 . 1 . . . . 80 VAL CB . 10329 1 952 . 1 1 80 80 VAL CG1 C 13 22.588 0.300 . 2 . . . . 80 VAL CG1 . 10329 1 953 . 1 1 80 80 VAL CG2 C 13 21.918 0.300 . 2 . . . . 80 VAL CG2 . 10329 1 954 . 1 1 80 80 VAL N N 15 129.202 0.300 . 1 . . . . 80 VAL N . 10329 1 955 . 1 1 81 81 ASP H H 1 8.556 0.030 . 1 . . . . 81 ASP H . 10329 1 956 . 1 1 81 81 ASP HA H 1 4.871 0.030 . 1 . . . . 81 ASP HA . 10329 1 957 . 1 1 81 81 ASP HB2 H 1 2.741 0.030 . 2 . . . . 81 ASP HB2 . 10329 1 958 . 1 1 81 81 ASP HB3 H 1 2.876 0.030 . 2 . . . . 81 ASP HB3 . 10329 1 959 . 1 1 81 81 ASP C C 13 174.678 0.300 . 1 . . . . 81 ASP C . 10329 1 960 . 1 1 81 81 ASP CA C 13 52.258 0.300 . 1 . . . . 81 ASP CA . 10329 1 961 . 1 1 81 81 ASP CB C 13 43.564 0.300 . 1 . . . . 81 ASP CB . 10329 1 962 . 1 1 81 81 ASP N N 15 127.747 0.300 . 1 . . . . 81 ASP N . 10329 1 963 . 1 1 82 82 ALA H H 1 8.646 0.030 . 1 . . . . 82 ALA H . 10329 1 964 . 1 1 82 82 ALA HA H 1 4.536 0.030 . 1 . . . . 82 ALA HA . 10329 1 965 . 1 1 82 82 ALA HB1 H 1 1.379 0.030 . 1 . . . . 82 ALA HB . 10329 1 966 . 1 1 82 82 ALA HB2 H 1 1.379 0.030 . 1 . . . . 82 ALA HB . 10329 1 967 . 1 1 82 82 ALA HB3 H 1 1.379 0.030 . 1 . . . . 82 ALA HB . 10329 1 968 . 1 1 82 82 ALA C C 13 177.915 0.300 . 1 . . . . 82 ALA C . 10329 1 969 . 1 1 82 82 ALA CA C 13 51.919 0.300 . 1 . . . . 82 ALA CA . 10329 1 970 . 1 1 82 82 ALA CB C 13 19.945 0.300 . 1 . . . . 82 ALA CB . 10329 1 971 . 1 1 82 82 ALA N N 15 120.953 0.300 . 1 . . . . 82 ALA N . 10329 1 972 . 1 1 83 83 ILE H H 1 8.295 0.030 . 1 . . . . 83 ILE H . 10329 1 973 . 1 1 83 83 ILE HA H 1 4.013 0.030 . 1 . . . . 83 ILE HA . 10329 1 974 . 1 1 83 83 ILE HB H 1 1.745 0.030 . 1 . . . . 83 ILE HB . 10329 1 975 . 1 1 83 83 ILE HD11 H 1 0.815 0.030 . 1 . . . . 83 ILE HD1 . 10329 1 976 . 1 1 83 83 ILE HD12 H 1 0.815 0.030 . 1 . . . . 83 ILE HD1 . 10329 1 977 . 1 1 83 83 ILE HD13 H 1 0.815 0.030 . 1 . . . . 83 ILE HD1 . 10329 1 978 . 1 1 83 83 ILE HG12 H 1 1.049 0.030 . 2 . . . . 83 ILE HG12 . 10329 1 979 . 1 1 83 83 ILE HG13 H 1 1.392 0.030 . 2 . . . . 83 ILE HG13 . 10329 1 980 . 1 1 83 83 ILE HG21 H 1 0.856 0.030 . 1 . . . . 83 ILE HG2 . 10329 1 981 . 1 1 83 83 ILE HG22 H 1 0.856 0.030 . 1 . . . . 83 ILE HG2 . 10329 1 982 . 1 1 83 83 ILE HG23 H 1 0.856 0.030 . 1 . . . . 83 ILE HG2 . 10329 1 983 . 1 1 83 83 ILE C C 13 175.944 0.300 . 1 . . . . 83 ILE C . 10329 1 984 . 1 1 83 83 ILE CA C 13 62.065 0.300 . 1 . . . . 83 ILE CA . 10329 1 985 . 1 1 83 83 ILE CB C 13 39.069 0.300 . 1 . . . . 83 ILE CB . 10329 1 986 . 1 1 83 83 ILE CD1 C 13 13.366 0.300 . 1 . . . . 83 ILE CD1 . 10329 1 987 . 1 1 83 83 ILE CG1 C 13 27.779 0.300 . 1 . . . . 83 ILE CG1 . 10329 1 988 . 1 1 83 83 ILE CG2 C 13 17.436 0.300 . 1 . . . . 83 ILE CG2 . 10329 1 989 . 1 1 83 83 ILE N N 15 119.618 0.300 . 1 . . . . 83 ILE N . 10329 1 990 . 1 1 84 84 ASN H H 1 8.511 0.030 . 1 . . . . 84 ASN H . 10329 1 991 . 1 1 84 84 ASN HA H 1 4.776 0.030 . 1 . . . . 84 ASN HA . 10329 1 992 . 1 1 84 84 ASN HB2 H 1 2.832 0.030 . 2 . . . . 84 ASN HB2 . 10329 1 993 . 1 1 84 84 ASN HB3 H 1 2.800 0.030 . 2 . . . . 84 ASN HB3 . 10329 1 994 . 1 1 84 84 ASN HD21 H 1 7.622 0.030 . 2 . . . . 84 ASN HD21 . 10329 1 995 . 1 1 84 84 ASN HD22 H 1 6.909 0.030 . 2 . . . . 84 ASN HD22 . 10329 1 996 . 1 1 84 84 ASN C C 13 175.073 0.300 . 1 . . . . 84 ASN C . 10329 1 997 . 1 1 84 84 ASN CA C 13 53.086 0.300 . 1 . . . . 84 ASN CA . 10329 1 998 . 1 1 84 84 ASN CB C 13 39.014 0.300 . 1 . . . . 84 ASN CB . 10329 1 999 . 1 1 84 84 ASN N N 15 121.092 0.300 . 1 . . . . 84 ASN N . 10329 1 1000 . 1 1 84 84 ASN ND2 N 15 112.770 0.300 . 1 . . . . 84 ASN ND2 . 10329 1 1001 . 1 1 86 86 ARG HA H 1 4.373 0.030 . 1 . . . . 86 ARG HA . 10329 1 1002 . 1 1 86 86 ARG HB2 H 1 1.809 0.030 . 2 . . . . 86 ARG HB2 . 10329 1 1003 . 1 1 86 86 ARG HB3 H 1 1.725 0.030 . 2 . . . . 86 ARG HB3 . 10329 1 1004 . 1 1 86 86 ARG HD2 H 1 3.167 0.030 . 1 . . . . 86 ARG HD2 . 10329 1 1005 . 1 1 86 86 ARG HD3 H 1 3.167 0.030 . 1 . . . . 86 ARG HD3 . 10329 1 1006 . 1 1 86 86 ARG HG2 H 1 1.552 0.030 . 1 . . . . 86 ARG HG2 . 10329 1 1007 . 1 1 86 86 ARG HG3 H 1 1.552 0.030 . 1 . . . . 86 ARG HG3 . 10329 1 1008 . 1 1 86 86 ARG CA C 13 56.168 0.300 . 1 . . . . 86 ARG CA . 10329 1 1009 . 1 1 86 86 ARG CB C 13 30.784 0.300 . 1 . . . . 86 ARG CB . 10329 1 1010 . 1 1 86 86 ARG CD C 13 43.323 0.300 . 1 . . . . 86 ARG CD . 10329 1 1011 . 1 1 86 86 ARG CG C 13 27.106 0.300 . 1 . . . . 86 ARG CG . 10329 1 1012 . 1 1 87 87 HIS HA H 1 4.653 0.030 . 1 . . . . 87 HIS HA . 10329 1 1013 . 1 1 87 87 HIS HB2 H 1 3.146 0.030 . 2 . . . . 87 HIS HB2 . 10329 1 1014 . 1 1 87 87 HIS HB3 H 1 3.072 0.030 . 2 . . . . 87 HIS HB3 . 10329 1 1015 . 1 1 87 87 HIS HD2 H 1 7.014 0.030 . 1 . . . . 87 HIS HD2 . 10329 1 1016 . 1 1 87 87 HIS HE1 H 1 7.795 0.030 . 1 . . . . 87 HIS HE1 . 10329 1 1017 . 1 1 87 87 HIS CA C 13 56.418 0.300 . 1 . . . . 87 HIS CA . 10329 1 1018 . 1 1 87 87 HIS CB C 13 31.156 0.300 . 1 . . . . 87 HIS CB . 10329 1 1019 . 1 1 87 87 HIS CD2 C 13 119.944 0.300 . 1 . . . . 87 HIS CD2 . 10329 1 1020 . 1 1 87 87 HIS CE1 C 13 138.542 0.300 . 1 . . . . 87 HIS CE1 . 10329 1 1021 . 1 1 88 88 SER HA H 1 4.482 0.030 . 1 . . . . 88 SER HA . 10329 1 1022 . 1 1 88 88 SER HB2 H 1 3.832 0.030 . 2 . . . . 88 SER HB2 . 10329 1 1023 . 1 1 88 88 SER CA C 13 58.033 0.300 . 1 . . . . 88 SER CA . 10329 1 1024 . 1 1 88 88 SER CB C 13 63.965 0.300 . 1 . . . . 88 SER CB . 10329 1 1025 . 1 1 89 89 GLY H H 1 8.247 0.030 . 1 . . . . 89 GLY H . 10329 1 1026 . 1 1 89 89 GLY HA2 H 1 4.110 0.030 . 1 . . . . 89 GLY HA2 . 10329 1 1027 . 1 1 89 89 GLY HA3 H 1 4.110 0.030 . 1 . . . . 89 GLY HA3 . 10329 1 1028 . 1 1 89 89 GLY CA C 13 44.635 0.300 . 1 . . . . 89 GLY CA . 10329 1 1029 . 1 1 89 89 GLY N N 15 110.940 0.300 . 1 . . . . 89 GLY N . 10329 1 1030 . 1 1 90 90 PRO HA H 1 4.473 0.030 . 1 . . . . 90 PRO HA . 10329 1 1031 . 1 1 90 90 PRO HB2 H 1 1.967 0.030 . 2 . . . . 90 PRO HB2 . 10329 1 1032 . 1 1 90 90 PRO HB3 H 1 2.289 0.030 . 2 . . . . 90 PRO HB3 . 10329 1 1033 . 1 1 90 90 PRO HD2 H 1 3.618 0.030 . 1 . . . . 90 PRO HD2 . 10329 1 1034 . 1 1 90 90 PRO HD3 H 1 3.618 0.030 . 1 . . . . 90 PRO HD3 . 10329 1 1035 . 1 1 90 90 PRO HG2 H 1 2.008 0.030 . 1 . . . . 90 PRO HG2 . 10329 1 1036 . 1 1 90 90 PRO HG3 H 1 2.008 0.030 . 1 . . . . 90 PRO HG3 . 10329 1 1037 . 1 1 90 90 PRO C C 13 177.404 0.300 . 1 . . . . 90 PRO C . 10329 1 1038 . 1 1 90 90 PRO CA C 13 63.277 0.300 . 1 . . . . 90 PRO CA . 10329 1 1039 . 1 1 90 90 PRO CB C 13 32.216 0.300 . 1 . . . . 90 PRO CB . 10329 1 1040 . 1 1 90 90 PRO CD C 13 49.782 0.300 . 1 . . . . 90 PRO CD . 10329 1 1041 . 1 1 90 90 PRO CG C 13 27.176 0.300 . 1 . . . . 90 PRO CG . 10329 1 1042 . 1 1 91 91 SER H H 1 8.515 0.030 . 1 . . . . 91 SER H . 10329 1 1043 . 1 1 91 91 SER HA H 1 4.486 0.030 . 1 . . . . 91 SER HA . 10329 1 1044 . 1 1 91 91 SER HB2 H 1 3.896 0.030 . 1 . . . . 91 SER HB2 . 10329 1 1045 . 1 1 91 91 SER HB3 H 1 3.896 0.030 . 1 . . . . 91 SER HB3 . 10329 1 1046 . 1 1 91 91 SER C C 13 174.621 0.300 . 1 . . . . 91 SER C . 10329 1 1047 . 1 1 91 91 SER CA C 13 58.296 0.300 . 1 . . . . 91 SER CA . 10329 1 1048 . 1 1 91 91 SER CB C 13 63.926 0.300 . 1 . . . . 91 SER CB . 10329 1 1049 . 1 1 91 91 SER N N 15 116.406 0.300 . 1 . . . . 91 SER N . 10329 1 1050 . 1 1 92 92 SER H H 1 8.304 0.030 . 1 . . . . 92 SER H . 10329 1 1051 . 1 1 92 92 SER HA H 1 4.481 0.030 . 1 . . . . 92 SER HA . 10329 1 1052 . 1 1 92 92 SER HB2 H 1 3.826 0.030 . 1 . . . . 92 SER HB2 . 10329 1 1053 . 1 1 92 92 SER HB3 H 1 3.826 0.030 . 1 . . . . 92 SER HB3 . 10329 1 1054 . 1 1 92 92 SER C C 13 173.917 0.300 . 1 . . . . 92 SER C . 10329 1 1055 . 1 1 92 92 SER CA C 13 58.377 0.300 . 1 . . . . 92 SER CA . 10329 1 1056 . 1 1 92 92 SER CB C 13 64.035 0.300 . 1 . . . . 92 SER CB . 10329 1 1057 . 1 1 92 92 SER N N 15 117.781 0.300 . 1 . . . . 92 SER N . 10329 1 1058 . 1 1 93 93 GLY H H 1 8.035 0.030 . 1 . . . . 93 GLY H . 10329 1 1059 . 1 1 93 93 GLY HA2 H 1 3.780 0.030 . 2 . . . . 93 GLY HA2 . 10329 1 1060 . 1 1 93 93 GLY HA3 H 1 3.728 0.030 . 2 . . . . 93 GLY HA3 . 10329 1 1061 . 1 1 93 93 GLY C C 13 178.986 0.300 . 1 . . . . 93 GLY C . 10329 1 1062 . 1 1 93 93 GLY CA C 13 46.205 0.300 . 1 . . . . 93 GLY CA . 10329 1 1063 . 1 1 93 93 GLY N N 15 116.837 0.300 . 1 . . . . 93 GLY N . 10329 1 stop_ save_